A0A068BFU4_MOUSE Loading...

MHC class II antigen A beta 1

AlphaFold DB , UniProt , Accession A0A068BFU4, Species MOUSE (Mus musculus, Mouse), Gene H2-Ab1, Length 263 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	36.8	Very low	45.5	Very low	244 Å²	244	129.8 Å²	129.8	100%	1.202	72%	0.724	S	S	*	*				0	100	0	-75.2	177.4	-117.4	0	0	107.5
2	A	36.9	Very low	46.1	Very low	100 Å²	100	123.6 Å²	123.6	83%	0.826	70%	0.702	S	S	*	*			trans	-85.4	121.2	174.8	0	0	0	0	0	107.9	Q4	A2-Q4 PolarHBondContact O-N 3.38Å
3	L	41.4	Very low	46.7	Very low	170 Å²	170	118.4 Å²	118.4	89%	0.89	68%	0.683	S	S	*	*			trans	-67.8	112.2	173.8	-101.1	106	0	0	0	108.9	I5	L3-I5 PolarHBondContact O-N 3.2Å
4	Q	44.8	Very low	47.4	Very low	186 Å²	186	115.9 Å²	115.9	87%	0.869	67%	0.671	S	S	*	*			trans	-83.5	103.7	176.2	-155.3	152.3	-10.3	0	0	108.1	A2	A2-Q4 PolarHBondContact O-N 3.38Å
5	I	46.5	Very low	48	Very low	124 Å²	124	114.3 Å²	114.3	64%	0.636	66%	0.663	S	S	*	*			trans	-71	129.9	176.6	-60.2	174.1	0	0	0	108.2	L3 S7	L3-I5 PolarHBondContact O-N 3.2Å; I5-S7 PolarHBondContact O-N 3.39Å
6	P	45.2	Very low	48.5	Very low	81 Å²	81	112.6 Å²	112.6	53%	0.526	66%	0.655	S	S	.	*			trans	-64.7	129.2	-177.7	-16.2	28.4	0	0	0	111.5	L8 L9	P6-L8 PolarHBondContact O-N 3.36Å; P6-L9 PolarHBondContact O-N 3.21Å
7	S	54.8	Low	48.6	Very low	94 Å²	94	113.2 Å²	113.2	66%	0.657	65%	0.654	S	S	*	*	H	α-helix	trans	-56.6	-19.7	-176.8	57.9	0	0	0	0	115.2	I5 L9 L10 S11	I5-S7 PolarHBondContact O-N 3.39Å; S7-L9 PolarHBondContact O-N 3.49Å; S7-L10 PolarHBondContact O-N 3.02Å; S7-S11 PolarHBondContact O-N 3.48Å; S7-S11 PolarHBondContact O-OG 3.26Å
8	L	46.8	Very low	48.9	Very low	133 Å²	133	113.9 Å²	113.9	70%	0.696	65%	0.652	S	S	*	*	H	α-helix	trans	-69	-29.4	-179.9	-77	158.5	0	0	0	113.6	P6 S11 A12	P6-L8 PolarHBondContact O-N 3.36Å; L8-S11 WeakPolarHBondContact CA-OG 3.3Å; L8-S11 PolarHBondContact O-OG 3.4Å; L8-A12 PolarHBondContact O-N 2.88Å
9	L	47	Very low	49.2	Very low	118 Å²	118	113.4 Å²	113.4	62%	0.618	65%	0.651	S	S	*	*	H	α-helix	trans	-73.6	-33.7	179.1	-73.3	166.9	0	0	0	112	P6 S7 A13	P6-L9 PolarHBondContact O-N 3.21Å; S7-L9 PolarHBondContact O-N 3.49Å; L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 3.24Å; L9-A13 VanDerWaalsContact O-N 3.13Å
10	L	48.5	Very low	49.2	Very low	115 Å²	115	114.6 Å²	114.6	60%	0.602	65%	0.654	S	S	*	*	H	α-helix	trans	-69	-40	176.2	-81.4	152.2	0	0	0	111.4	S7 V14	S7-L10 PolarHBondContact O-N 3.02Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.25Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.1Å
11	S	51.6	Low	49.3	Very low	63 Å²	63	112.9 Å²	112.9	44%	0.441	65%	0.649	S	S	.	*	H	α-helix	trans	-66.8	-40.6	177.1	42	0	0	0	0	113.1	S7 L8 V15	S7-S11 PolarHBondContact O-N 3.48Å; S7-S11 PolarHBondContact O-OG 3.26Å; L8-S11 WeakPolarHBondContact CA-OG 3.3Å; L8-S11 PolarHBondContact O-OG 3.4Å; S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.22Å; S11-V15 VanDerWaalsContact O-N 3.14Å
12	A	52.6	Low	49.9	Very low	55 Å²	55	104.9 Å²	104.9	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-67.3	-41.7	177.9	0	0	0	0	0	111.7	L8 V14 V15 V16	L8-A12 PolarHBondContact O-N 2.88Å; A12-V14 PolarHBondContact O-N 3.41Å; A12-V15 PolarHBondContact O-N 3.14Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 3.13Å
13	A	54.5	Low	50.6	Low	56 Å²	56	105.7 Å²	105.7	46%	0.463	61%	0.614	S	S	.	*	H	α-helix	trans	-64.3	-39.4	178.1	0	0	0	0	0	112.6	L9 V16 L17	L9-A13 WeakPolarHBondContact O-CB 3.4Å; L9-A13 PolarHBondContact O-N 3.24Å; L9-A13 VanDerWaalsContact O-N 3.13Å; A13-V16 PolarHBondContact O-N 3.13Å; A13-L17 WeakPolarHBondContact O-CB 3.44Å; A13-L17 PolarHBondContact O-N 3.1Å
14	V	56.8	Low	51.2	Low	84 Å²	84	100.8 Å²	100.8	51%	0.509	61%	0.605	S	S	.	*	H	α-helix	trans	-69.4	-37.9	178.1	173.4	0	0	0	0	111.8	L10 A12 L17 M18	L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.25Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.1Å; A12-V14 PolarHBondContact O-N 3.41Å; V14-L17 PolarHBondContact O-N 3.26Å; V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 WeakPolarHBondContact O-CB 3.4Å; V14-M18 VanDerWaalsContact O-CG 3.22Å; V14-M18 WeakPolarHBondContact O-CG 3.45Å; V14-M18 PolarHBondContact O-N 3.32Å
15	V	55.8	Low	51.7	Low	92 Å²	92	98.1 Å²	98.1	56%	0.558	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-41.4	175.9	174.1	0	0	0	0	111.1	S11 A12 M18 V19	S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.22Å; S11-V15 VanDerWaalsContact O-N 3.14Å; A12-V15 PolarHBondContact O-N 3.14Å; V15-M18 PolarHBondContact O-N 3.47Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 3.26Å; V15-V19 VanDerWaalsContact O-N 3.09Å
16	V	55.3	Low	52	Low	87 Å²	87	101.1 Å²	101.1	53%	0.527	61%	0.613	S	S	.	*	H	α-helix	trans	-65.5	-38.8	175.7	174.8	0	0	0	0	111.3	A12 A13 V19 L20	A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 3.13Å; A13-V16 PolarHBondContact O-N 3.13Å; V16-V19 PolarHBondContact O-N 2.92Å; V16-L20 HydrophobicContact CG1-CD1 3.84Å; V16-L20 WeakPolarHBondContact O-CB 3.45Å; V16-L20 WeakPolarHBondContact O-CG 3.22Å; V16-L20 PolarHBondContact O-N 3.32Å; V16-L20 VanDerWaalsContact O-N 3.08Å
17	L	51.3	Low	52.5	Low	122 Å²	122	100.7 Å²	100.7	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-64.4	-43.4	176	-128.8	82.7	0	0	0	111.9	A13 V14 V19 L20 S21	A13-L17 WeakPolarHBondContact O-CB 3.44Å; A13-L17 PolarHBondContact O-N 3.1Å; V14-L17 PolarHBondContact O-N 3.26Å; L17-V19 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 2.62Å; L17-L20 PolarHBondContact O-N 3.48Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 2.69Å; L17-S21 PolarHBondContact O-OG 3.01Å
18	M	54.3	Low	52.5	Low	127 Å²	127	99.1 Å²	99.1	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-35.5	178.6	-72.4	-80.9	-145.7	0	0	112.9	V14 V15 S22	V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 WeakPolarHBondContact O-CB 3.4Å; V14-M18 VanDerWaalsContact O-CG 3.22Å; V14-M18 WeakPolarHBondContact O-CG 3.45Å; V14-M18 PolarHBondContact O-N 3.32Å; V15-M18 PolarHBondContact O-N 3.47Å; M18-S22 PolarHBondContact O-N 3.22Å; M18-S22 PolarHBondContact O-OG 3.35Å; M18-S22 VanDerWaalsContact O-OG 3.07Å
19	V	53.8	Low	53.2	Low	103 Å²	103	101 Å²	101	62%	0.624	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-35.3	175.3	173.7	0	0	0	0	111.1	V15 V16 L17	V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 3.26Å; V15-V19 VanDerWaalsContact O-N 3.09Å; V16-V19 PolarHBondContact O-N 2.92Å; L17-V19 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 2.62Å
20	L	49.3	Very low	54.2	Low	137 Å²	137	100.1 Å²	100.1	72%	0.717	64%	0.636	S	S	*	*	H	α-helix	trans	-80.7	-23	177.6	-70.5	169.2	0	0	0	113.9	V16 L17	V16-L20 HydrophobicContact CG1-CD1 3.84Å; V16-L20 WeakPolarHBondContact O-CB 3.45Å; V16-L20 WeakPolarHBondContact O-CG 3.22Å; V16-L20 PolarHBondContact O-N 3.32Å; V16-L20 VanDerWaalsContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 3.48Å
21	S	51.9	Low	55.8	Low	79 Å²	79	101.5 Å²	101.5	55%	0.552	64%	0.639	S	S	*	*	S	Bend	trans	-99.3	7.2	177.7	63.6	0	0	0	0	113.7	L17 P23	L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 2.69Å; L17-S21 PolarHBondContact O-OG 3.01Å; S21-P23 VanDerWaalsContact O-CD 3.23Å; S21-P23 WeakPolarHBondContact O-CD 3.41Å
22	S	50	Low	57.6	Low	76 Å²	76	109 Å²	109	53%	0.531	66%	0.658	S	S	.	*	S	Bend	trans	-63.8	113.3	161.1	-62.6	0	0	0	0	105.8	M18 G24	M18-S22 PolarHBondContact O-N 3.22Å; M18-S22 PolarHBondContact O-OG 3.35Å; M18-S22 VanDerWaalsContact O-OG 3.07Å; S22-G24 PolarHBondContact O-N 3.05Å
23	P	51.3	Low	59.5	Low	118 Å²	118	112.7 Å²	112.7	77%	0.766	67%	0.666	S	S	*	*			trans	-65	98.3	169.6	15.9	-5.9	0	0	0	104	S21 T25	S21-P23 VanDerWaalsContact O-CD 3.23Å; S21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-T25 VanDerWaalsContact C-N 3.27Å; P23-T25 PolarHBondContact O-N 2.86Å
24	G	52.8	Low	61.5	Low	67 Å²	67	116.6 Å²	116.6	69%	0.691	67%	0.672	S	S	*	*			trans	-50.3	110.5	157	0	0	0	0	0	103.5	S22 E26	S22-G24 PolarHBondContact O-N 3.05Å; G24-E26 PolarHBondContact O-N 3.26Å
25	T	55.7	Low	63.4	Low	130 Å²	130	116 Å²	116	80%	0.798	67%	0.669	S	S	*	*			trans	-61.7	90.6	164.4	47.7	0	0	0	0	103.6	P23 G27	P23-T25 VanDerWaalsContact C-N 3.27Å; P23-T25 PolarHBondContact O-N 2.86Å; T25-G27 PolarHBondContact O-N 3.47Å
26	E	52.3	Low	65.4	Low	187 Å²	187	117.4 Å²	117.4	87%	0.874	67%	0.665	S	S	*	*			trans	-49.4	99.6	153.4	-97.8	-177.9	150.9	0	0	103.2	G24 G28	G24-E26 PolarHBondContact O-N 3.26Å; E26-G28 PolarHBondContact O-N 3.43Å
27	G	55.6	Low	67.4	Low	72 Å²	72	116.2 Å²	116.2	74%	0.742	65%	0.654	S	S	*	*			trans	-58.2	96.8	169.8	0	0	0	0	0	104	T25 N29	T25-G27 PolarHBondContact O-N 3.47Å; G27-N29 PolarHBondContact O-N 3.23Å
28	G	55.8	Low	69.6	Low	60 Å²	60	115.3 Å²	115.3	62%	0.619	65%	0.645	S	S	*	*			trans	-46.8	134	-176.3	0	0	0	0	0	107.5	E26 S30	E26-G28 PolarHBondContact O-N 3.43Å; G28-S30 WeakPolarHBondContact O-CA 3.33Å; G28-S30 PolarHBondContact O-N 2.81Å
29	N	61.9	Low	71.7	Confident	173 Å²	173	114.5 Å²	114.5	93%	0.925	64%	0.638	S	S	*	*			trans	-50.7	88	-173.4	-144.8	12.2	0	0	0	109.4	G27 E31	G27-N29 PolarHBondContact O-N 3.23Å; N29-E31 PolarHBondContact O-N 2.97Å
30	S	67.2	Low	73.8	Confident	100 Å²	100	112.5 Å²	112.5	70%	0.699	63%	0.628	S	S	*	*			trans	-82.6	114.7	-171.4	-173.5	0	0	0	0	105.6	G28 R32	G28-S30 WeakPolarHBondContact O-CA 3.33Å; G28-S30 PolarHBondContact O-N 2.81Å; S30-R32 PolarHBondContact O-N 2.92Å
31	E	82.9	Confident	76.1	Confident	143 Å²	143	107.5 Å²	107.5	67%	0.668	61%	0.607	S	S	*	*			trans	-48.4	131.8	169.9	-76.1	-173.8	172.1	0	0	109.4	N29 H33	N29-E31 PolarHBondContact O-N 2.97Å; E31-H33 WeakPolarHBondContact CB-NE2 3.07Å; E31-H33 PolarHBondContact O-CD2 3.24Å; E31-H33 PolarHBondContact O-N 3.28Å; E31-H33 VanDerWaalsContact O-N 3.11Å; E31-H33 IonicContact OE2-CE1 3.88Å; E31-H33 PolarHBondContact OE2-CE1 2.96Å; E31-H33 IonicContact OE2-NE2 2.7Å
32	R	89.3	Confident	78.3	Confident	221 Å²	221	105.5 Å²	105.5	83%	0.834	59%	0.593	S	S	*	*			trans	-77.5	101.4	-178	-65	-177.5	-172.7	169.5	2.1	108.5	S30 F34	S30-R32 PolarHBondContact O-N 2.92Å; R32-F34 HydrophobicContact CB-CE2 3.99Å; R32-F34 HydrophobicContact CB-CZ 4.02Å
33	H	92.8	Very high	80.6	Confident	133 Å²	133	107.4 Å²	107.4	62%	0.616	59%	0.589	S	S	*	*			trans	-101.6	140.1	173	-55.9	-70	0	0	0	110.7	E31	E31-H33 WeakPolarHBondContact CB-NE2 3.07Å; E31-H33 PolarHBondContact O-CD2 3.24Å; E31-H33 PolarHBondContact O-N 3.28Å; E31-H33 VanDerWaalsContact O-N 3.11Å; E31-H33 IonicContact OE2-CE1 3.88Å; E31-H33 PolarHBondContact OE2-CE1 2.96Å; E31-H33 IonicContact OE2-NE2 2.7Å
34	F	94.9	Very high	82.9	Confident	137 Å²	137	105.1 Å²	105.1	60%	0.601	57%	0.567	S	S	*	*			trans	-126.9	133.8	176.1	-52.7	-78.9	0	0	0	108.8	R32 Y59 N60	R32-F34 HydrophobicContact CB-CE2 3.99Å; R32-F34 HydrophobicContact CB-CZ 4.02Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.47Å; F34-N60 WeakPolarHBondContact CA-OD1 3.38Å
35	V	97.4	Very high	85	Confident	73 Å²	73	105.9 Å²	105.9	44%	0.442	56%	0.559	S	S	.	*			trans	-130.3	128.8	-178.4	-177.5	0	0	0	0	109.1	Q37 N60	V35-Q37 HydrophobicContact CG1-CG 3.9Å; V35-N60 PolarHBondContact N-OD1 2.81Å; V35-N60 WeakPolarHBondContact O-CA 3.32Å; V35-N60 PolarHBondContact O-N 2.86Å
36	Y	97.3	Very high	87	Confident	120 Å²	120	105.2 Å²	105.2	47%	0.471	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	131.4	168.5	-166.5	-83.2	0	0	0	109.1	N57 Y59 F64	Y36-N57 WeakPolarHBondContact OH-CB 3.48Å; Y36-N57 PolarHBondContact OH-OD1 3.49Å; Y36-Y59 HydrophobicContact CD2-CD2 4.17Å; Y36-F64 HydrophobicContact CD2-CE1 4.41Å; Y36-F64 AromaticContact CE2-CE1 3.52Å; Y36-F64 HydrophobicContact CE2-CE1 3.52Å; Y36-F64 AromaticContact CE2-CZ 3.61Å; Y36-F64 HydrophobicContact CE2-CZ 3.61Å; Y36-F64 AromaticContact CZ-CE1 3.94Å; Y36-F64 AromaticContact CZ-CZ 3.9Å; Y36-F64 WeakPolarHBondContact OH-CZ 3.23Å
37	Q	98.3	Very high	89	Confident	63 Å²	63	97.6 Å²	97.6	29%	0.294	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.8	177.5	-56.2	170.5	66.3	0	0	110.1	V35 I58 N60	V35-Q37 HydrophobicContact CG1-CG 3.9Å; Q37-I58 HydrophobicContact CB-CB 4.15Å; Q37-I58 PolarHBondContact N-O 3.23Å; Q37-I58 PolarHBondContact O-N 2.86Å; Q37-N60 PolarHBondContact NE2-O 3.35Å
38	F	97.6	Very high	91	Very high	102 Å²	102	95.4 Å²	95.4	45%	0.447	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.7	168.3	175.7	-98	0	0	0	108.7	S55	F38-S55 WeakPolarHBondContact CE2-OG 3.49Å; F38-S55 VanDerWaalsContact CZ-OG 3.26Å; F38-S55 WeakPolarHBondContact CZ-OG 3.29Å
39	K	98.1	Very high	93	Very high	110 Å²	110	99.8 Å²	99.8	48%	0.478	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.4	177.7	-63.8	-173.4	-178.8	179.3	0	109.9	S55 R56 I58	K39-S55 CarbonylContact O-C 3.58Å; K39-S55 WeakPolarHBondContact O-CA 3.29Å; K39-R56 HydrophobicContact CB-CB 4.41Å; K39-R56 PolarHBondContact N-O 2.87Å; K39-R56 PolarHBondContact O-N 3.41Å; K39-I58 HydrophobicContact CD-CD1 3.93Å; K39-I58 HydrophobicContact CG-CD1 4.27Å
40	S	97.1	Very high	94.7	Very high	61 Å²	61	98.6 Å²	98.6	43%	0.427	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.8	173.8	-168.7	0	0	0	0	109.4	L53	S40-L53 WeakPolarHBondContact OG-CD1 3.39Å
41	A	98.3	Very high	96.2	Very high	32 Å²	32	94.7 Å²	94.7	26%	0.264	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.7	-178.4	0	0	0	0	0	110.5	Y43 L53 V54	A41-Y43 HydrophobicContact CB-CE2 3.84Å; A41-L53 WeakPolarHBondContact O-CA 3.17Å; A41-V54 PolarHBondContact N-O 3.4Å; A41-V54 PolarHBondContact O-N 3.09Å
42	C	98.4	Very high	96.9	Very high	38 Å²	38	92.2 Å²	92.2	26%	0.257	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.7	170.8	-57.5	0	0	0	0	108.3	F44 C104	C42-F44 HydrophobicContact CB-CD2 4.42Å; C42-F44 HydrophobicContact CB-CE1 4.27Å; C42-F44 HydrophobicContact CB-CE2 3.53Å; C42-F44 HydrophobicContact CB-CZ 3.44Å; C42-F44 VanDerWaalsContact CB-CZ 3.44Å; C42-F44 WeakPolarHBondContact O-CD2 3.15Å; C42-F44 WeakPolarHBondContact O-CE2 3.37Å; C42-C104 HydrophobicContact CB-CB 3.55Å; C42-C104 WeakPolarHBondContact CB-SG 3.47Å; C42-C104 VanDerWaalsContact SG-CA 3.52Å; C42-C104 WeakPolarHBondContact SG-CB 3.43Å; C42-C104 CovalentContact SG-SG 2.03Å; C42-C104 PolarHBondContact SG-SG 3.49Å
43	Y	98.4	Very high	97.4	Very high	115 Å²	115	81.9 Å²	81.9	45%	0.451	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.5	176.7	-57.6	-82.6	0	0	0	109.2	A41 I51 R52 V54	A41-Y43 HydrophobicContact CB-CE2 3.84Å; Y43-I51 WeakPolarHBondContact O-CA 3.37Å; Y43-R52 HydrophobicContact CD2-CB 4.46Å; Y43-R52 WeakPolarHBondContact CD2-O 3.38Å; Y43-R52 PolarHBondContact N-O 3.39Å; Y43-R52 PolarHBondContact O-N 3Å; Y43-V54 HydrophobicContact CD2-CG2 4.21Å; Y43-V54 HydrophobicContact CE2-CB 4.06Å; Y43-V54 HydrophobicContact CE2-CG2 3.78Å
44	F	98.3	Very high	97.6	Very high	70 Å²	70	75.6 Å²	75.6	31%	0.307	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.4	-177.6	-57.5	-81	0	0	0	110	C42 I51 C104 Y108	C42-F44 HydrophobicContact CB-CD2 4.42Å; C42-F44 HydrophobicContact CB-CE1 4.27Å; C42-F44 HydrophobicContact CB-CE2 3.53Å; C42-F44 HydrophobicContact CB-CZ 3.44Å; C42-F44 VanDerWaalsContact CB-CZ 3.44Å; C42-F44 WeakPolarHBondContact O-CD2 3.15Å; C42-F44 WeakPolarHBondContact O-CE2 3.37Å; F44-I51 HydrophobicContact CD1-CD1 4.32Å; F44-I51 HydrophobicContact CD1-CG1 4Å; F44-I51 HydrophobicContact CD1-CG2 4.35Å; F44-I51 HydrophobicContact CE1-CD1 4.15Å; F44-I51 HydrophobicContact CE1-CG1 4.24Å; F44-I51 HydrophobicContact CE1-CG2 4.12Å; F44-C104 HydrophobicContact CE1-CB 4.05Å; F44-C104 WeakPolarHBondContact CE1-O 3.15Å; F44-C104 HydrophobicContact CZ-CB 4Å; F44-C104 WeakPolarHBondContact CZ-O 3.22Å; F44-Y108 HydrophobicContact CB-CD2 4.13Å; F44-Y108 HydrophobicContact CB-CE2 3.91Å; F44-Y108 AromaticContact CD1-CD2 3.43Å; F44-Y108 HydrophobicContact CD1-CD2 3.43Å; F44-Y108 VanDerWaalsContact CD1-CD2 3.43Å; F44-Y108 HydrophobicContact CD1-CE2 4.06Å; F44-Y108 AromaticContact CD1-CG 3.99Å; F44-Y108 HydrophobicContact CD1-CG 3.99Å; F44-Y108 AromaticContact CD2-CD2 3.76Å; F44-Y108 HydrophobicContact CD2-CD2 3.76Å; F44-Y108 HydrophobicContact CD2-CE2 4.21Å; F44-Y108 AromaticContact CE1-CD2 3.66Å; F44-Y108 HydrophobicContact CE1-CD2 3.66Å; F44-Y108 AromaticContact CE1-CG 3.94Å; F44-Y108 HydrophobicContact CE1-CG 3.94Å; F44-Y108 AromaticContact CE2-CD2 3.95Å; F44-Y108 HydrophobicContact CE2-CD2 3.95Å; F44-Y108 AromaticContact CG-CD2 3.49Å; F44-Y108 HydrophobicContact CG-CD2 3.49Å; F44-Y108 VanDerWaalsContact CG-CD2 3.49Å; F44-Y108 AromaticContact CG-CE2 3.8Å; F44-Y108 HydrophobicContact CG-CE2 3.8Å; F44-Y108 HydrophobicContact CG-CG 4.47Å; F44-Y108 AromaticContact CZ-CD2 3.9Å; F44-Y108 HydrophobicContact CZ-CD2 3.9Å; F44-Y108 HydrophobicContact CZ-CG 4.36Å
45	T	98	Very high	97.8	Very high	84 Å²	84	69.1 Å²	69.1	52%	0.515	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	173.8	-55.8	0	0	0	0	109.4	R50	T45-R50 PolarHBondContact N-O 3.49Å; T45-R50 PolarHBondContact O-N 3.39Å
46	N	96.9	Very high	97.8	Very high	116 Å²	116	68.9 Å²	68.9	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	58.7	-175.6	-159.4	17.2	0	0	0	112.5	Q49	N46-Q49 VanDerWaalsContact ND2-CD 3.29Å; N46-Q49 PolarHBondContact ND2-NE2 2.91Å; N46-Q49 PolarHBondContact ND2-OE1 3.35Å; N46-Q49 WeakPolarHBondContact O-CB 3.3Å; N46-Q49 VanDerWaalsContact O-CG 3.3Å; N46-Q49 WeakPolarHBondContact O-CG 3.47Å; N46-Q49 PolarHBondContact O-N 2.94Å
47	G	95.4	Very high	97.9	Very high	26 Å²	26	63.3 Å²	63.3	27%	0.268	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-131.4	-172.5	0	0	0	0	0	111.8
48	T	97.4	Very high	97.9	Very high	27 Å²	27	61.1 Å²	61.1	17%	0.166	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	13.7	178.3	60.2	0	0	0	0	113.7	I51 R105 Y108 E109	T48-I51 HydrophobicContact CG2-CD1 4.27Å; T48-R105 VanDerWaalsContact CB-NH1 3.33Å; T48-R105 HydrophobicContact CG2-CG 4.27Å; T48-R105 PolarHBondContact O-NH1 2.93Å; T48-R105 PolarHBondContact OG1-NH1 2.68Å; T48-Y108 HydrophobicContact CG2-CD1 3.24Å; T48-Y108 HydrophobicContact CG2-CD2 4.48Å; T48-Y108 HydrophobicContact CG2-CE1 3.86Å; T48-Y108 HydrophobicContact CG2-CG 3.62Å; T48-E109 WeakPolarHBondContact CB-OE1 3.49Å; T48-E109 HydrophobicContact CG2-CG 3.79Å; T48-E109 WeakPolarHBondContact CG2-OE1 3.29Å; T48-E109 PolarHBondContact OG1-OE1 2.84Å
49	Q	96.4	Very high	97.9	Very high	151 Å²	151	60.4 Å²	60.4	71%	0.706	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-45.5	178.2	-69.7	-179.3	14.2	0	0	112	N46	N46-Q49 VanDerWaalsContact ND2-CD 3.29Å; N46-Q49 PolarHBondContact ND2-NE2 2.91Å; N46-Q49 PolarHBondContact ND2-OE1 3.35Å; N46-Q49 WeakPolarHBondContact O-CB 3.3Å; N46-Q49 VanDerWaalsContact O-CG 3.3Å; N46-Q49 WeakPolarHBondContact O-CG 3.47Å; N46-Q49 PolarHBondContact O-N 2.94Å
50	R	97.8	Very high	97.7	Very high	149 Å²	149	57.9 Å²	57.9	56%	0.562	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.4	171.9	-177.6	179.7	-178.6	-176.9	0.7	109.4	T45 D70	T45-R50 PolarHBondContact N-O 3.49Å; T45-R50 PolarHBondContact O-N 3.39Å; R50-D70 IonicContact NH2-OD2 3.39Å
51	I	98.6	Very high	97.7	Very high	18 Å²	18	66.5 Å²	66.5	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.2	177	-54.5	179.6	0	0	0	107.7	Y43 F44 T48 V100 C104 R105	Y43-I51 WeakPolarHBondContact O-CA 3.37Å; F44-I51 HydrophobicContact CD1-CD1 4.32Å; F44-I51 HydrophobicContact CD1-CG1 4Å; F44-I51 HydrophobicContact CD1-CG2 4.35Å; F44-I51 HydrophobicContact CE1-CD1 4.15Å; F44-I51 HydrophobicContact CE1-CG1 4.24Å; F44-I51 HydrophobicContact CE1-CG2 4.12Å; T48-I51 HydrophobicContact CG2-CD1 4.27Å; I51-V100 HydrophobicContact CB-CG1 4.09Å; I51-V100 HydrophobicContact CG2-CG1 3.98Å; I51-C104 HydrophobicContact CG2-CB 3.62Å; I51-R105 HydrophobicContact CD1-CB 3.7Å; I51-R105 HydrophobicContact CD1-CG 4.18Å
52	R	98.5	Very high	97.6	Very high	90 Å²	90	70.2 Å²	70.2	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.7	169	-178.8	-175.8	176.8	-175.1	1.5	109.7	Y43 V54 D68 S69 D70	Y43-R52 HydrophobicContact CD2-CB 4.46Å; Y43-R52 WeakPolarHBondContact CD2-O 3.38Å; Y43-R52 PolarHBondContact N-O 3.39Å; Y43-R52 PolarHBondContact O-N 3Å; R52-V54 HydrophobicContact CG-CG2 4.07Å; R52-D68 IonicContact CZ-OD1 3.39Å; R52-D68 IonicContact CZ-OD2 2.62Å; R52-D68 IonicContact NE-OD1 2.76Å; R52-D68 PolarHBondContact NE-OD1 2.99Å; R52-D68 IonicContact NE-OD2 3.61Å; R52-D68 PolarHBondContact NE-OD2 3.05Å; R52-D68 IonicContact NH2-OD1 3.12Å; R52-D68 IonicContact NH2-OD2 2.74Å; R52-D68 PolarHBondContact NH2-OD2 2.81Å; R52-S69 WeakPolarHBondContact CA-OG 3.48Å; R52-D70 WeakPolarHBondContact CD-OD2 3.08Å; R52-D70 IonicContact CZ-OD2 2.7Å; R52-D70 IonicContact NE-OD2 3.01Å
53	L	98.6	Very high	97.6	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.9	174	171.8	59.3	0	0	0	109.4	S40 A41 F67 S69 A99 V100	S40-L53 WeakPolarHBondContact OG-CD1 3.39Å; A41-L53 WeakPolarHBondContact O-CA 3.17Å; L53-F67 HydrophobicContact CD2-CE1 4.28Å; L53-F67 HydrophobicContact CG-CE1 4.41Å; L53-S69 PolarHBondContact N-OG 3.06Å; L53-S69 PolarHBondContact O-N 3.43Å; L53-S69 PolarHBondContact O-OG 3.44Å; L53-A99 HydrophobicContact CD2-CB 3.7Å; L53-V100 HydrophobicContact CB-CG2 3.85Å; L53-V100 HydrophobicContact CD2-CG2 4.21Å
54	V	98.7	Very high	97.6	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.8	172.1	-174.5	0	0	0	0	109.4	A41 Y43 R52 R56 R66 F67	A41-V54 PolarHBondContact N-O 3.4Å; A41-V54 PolarHBondContact O-N 3.09Å; Y43-V54 HydrophobicContact CD2-CG2 4.21Å; Y43-V54 HydrophobicContact CE2-CB 4.06Å; Y43-V54 HydrophobicContact CE2-CG2 3.78Å; R52-V54 HydrophobicContact CG-CG2 4.07Å; V54-R56 HydrophobicContact CG1-CG 3.94Å; V54-R66 HydrophobicContact CG1-CG 3.88Å; V54-F67 CarbonylContact C-O 3.56Å; V54-F67 WeakPolarHBondContact CA-O 3.48Å
55	S	98.1	Very high	97.6	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.9	178.2	174.8	0	0	0	0	109.1	F38 K39 R66 F67	F38-S55 WeakPolarHBondContact CE2-OG 3.49Å; F38-S55 VanDerWaalsContact CZ-OG 3.26Å; F38-S55 WeakPolarHBondContact CZ-OG 3.29Å; K39-S55 CarbonylContact O-C 3.58Å; K39-S55 WeakPolarHBondContact O-CA 3.29Å; S55-R66 CarbonylContact O-C 3.56Å; S55-R66 WeakPolarHBondContact O-CA 3.35Å; S55-F67 PolarHBondContact N-O 3.14Å; S55-F67 PolarHBondContact O-N 2.86Å
56	R	98.5	Very high	97.6	Very high	69 Å²	69	60.7 Å²	60.7	26%	0.26	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.9	-173.6	-51.1	-174.4	178.7	-110.3	-0.1	110.5	K39 V54 I58 E63 R66	K39-R56 HydrophobicContact CB-CB 4.41Å; K39-R56 PolarHBondContact N-O 2.87Å; K39-R56 PolarHBondContact O-N 3.41Å; V54-R56 HydrophobicContact CG1-CG 3.94Å; R56-I58 HydrophobicContact CB-CD1 4.39Å; R56-I58 HydrophobicContact CB-CG1 4.4Å; R56-E63 HydrophobicContact CB-CG 4.29Å; R56-E63 WeakPolarHBondContact CB-OE1 3.34Å; R56-E63 WeakPolarHBondContact CD-OE1 3.32Å; R56-E63 WeakPolarHBondContact CG-OE1 3.34Å; R56-E63 IonicContact CZ-OE2 3.41Å; R56-E63 IonicContact NH1-OE1 3.52Å; R56-E63 PolarHBondContact NH1-OE1 3.03Å; R56-E63 IonicContact NH1-OE2 3.32Å; R56-E63 PolarHBondContact NH1-OE2 2.96Å; R56-R66 HydrophobicContact CG-CG 4.49Å; R56-R66 VanDerWaalsContact NH1-CZ 3.3Å; R56-R66 VanDerWaalsContact NH1-NH2 3.11Å
57	N	97.9	Very high	97.7	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.9	169.9	-66.9	-80.9	0	0	0	108.7	Y36 E63 F64 M65	Y36-N57 WeakPolarHBondContact OH-CB 3.48Å; Y36-N57 PolarHBondContact OH-OD1 3.49Å; N57-E63 WeakPolarHBondContact O-CA 3.32Å; N57-F64 HydrophobicContact CB-CD1 4.36Å; N57-F64 HydrophobicContact CB-CE1 3.69Å; N57-F64 HydrophobicContact CB-CE2 4.4Å; N57-F64 HydrophobicContact CB-CZ 3.71Å; N57-F64 VanDerWaalsContact O-CD1 3.32Å; N57-F64 WeakPolarHBondContact O-CD1 3.46Å; N57-F64 PolarHBondContact O-N 3.45Å; N57-M65 HydrophobicContact CB-CB 4.28Å; N57-M65 HydrophobicContact CB-CE 4.31Å; N57-M65 WeakPolarHBondContact CB-O 3.38Å; N57-M65 PolarHBondContact N-O 2.96Å; N57-M65 VanDerWaalsContact ND2-CE 3.32Å; N57-M65 WeakPolarHBondContact ND2-CE 3.44Å
58	I	98.4	Very high	97.9	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.087	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.1	-170.5	-58.7	162.2	0	0	0	108.1	Q37 K39 R56 E62 E63	Q37-I58 HydrophobicContact CB-CB 4.15Å; Q37-I58 PolarHBondContact N-O 3.23Å; Q37-I58 PolarHBondContact O-N 2.86Å; K39-I58 HydrophobicContact CD-CD1 3.93Å; K39-I58 HydrophobicContact CG-CD1 4.27Å; R56-I58 HydrophobicContact CB-CD1 4.39Å; R56-I58 HydrophobicContact CB-CG1 4.4Å; I58-E62 CarbonylContact C-O 3.54Å; I58-E62 WeakPolarHBondContact CA-O 3.47Å; I58-E63 HydrophobicContact CG1-CB 4.01Å; I58-E63 HydrophobicContact CG1-CG 4.22Å
59	Y	97.6	Very high	97.9	Very high	86 Å²	86	54.7 Å²	54.7	34%	0.337	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.6	172.2	-174.2	-109.5	0	0	0	109	F34 Y36 R61 E62 L80	F34-Y59 WeakPolarHBondContact CD1-OH 3.47Å; Y36-Y59 HydrophobicContact CD2-CD2 4.17Å; Y59-R61 VanDerWaalsContact C-N 3.34Å; Y59-R61 PolarHBondContact O-N 2.99Å; Y59-E62 PolarHBondContact N-O 3.26Å; Y59-E62 PolarHBondContact O-N 3.11Å; Y59-L80 HydrophobicContact CD1-CD2 4.19Å; Y59-L80 HydrophobicContact CG-CD2 4.46Å
60	N	95	Very high	98	Very high	58 Å²	58	51.6 Å²	51.6	31%	0.31	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-90	-164	-62.6	-36.1	0	0	0	111.8	F34 V35 Q37	F34-N60 WeakPolarHBondContact CA-OD1 3.38Å; V35-N60 PolarHBondContact N-OD1 2.81Å; V35-N60 WeakPolarHBondContact O-CA 3.32Å; V35-N60 PolarHBondContact O-N 2.86Å; Q37-N60 PolarHBondContact NE2-O 3.35Å
61	R	95.6	Very high	98	Very high	242 Å²	242	48.7 Å²	48.7	91%	0.913	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.6	6.2	179.7	-60.4	-178.5	-179	177.3	0.4	112.6	Y59	Y59-R61 VanDerWaalsContact C-N 3.34Å; Y59-R61 PolarHBondContact O-N 2.99Å
62	E	97.9	Very high	98	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.7	-178	-173	174.8	-171.2	0	0	109.6	I58 Y59 F64 T78	I58-E62 CarbonylContact C-O 3.54Å; I58-E62 WeakPolarHBondContact CA-O 3.47Å; Y59-E62 PolarHBondContact N-O 3.26Å; Y59-E62 PolarHBondContact O-N 3.11Å; E62-F64 PolarHBondContact O-N 2.85Å; E62-T78 HydrophobicContact CG-CG2 3.95Å; E62-T78 VanDerWaalsContact OE1-CG2 3.23Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.19Å
63	E	98.3	Very high	97.9	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.2	172.5	-176.5	-179.5	-172.9	0	0	109.2	R56 N57 I58 R66 V77 T78	R56-E63 HydrophobicContact CB-CG 4.29Å; R56-E63 WeakPolarHBondContact CB-OE1 3.34Å; R56-E63 WeakPolarHBondContact CD-OE1 3.32Å; R56-E63 WeakPolarHBondContact CG-OE1 3.34Å; R56-E63 IonicContact CZ-OE2 3.41Å; R56-E63 IonicContact NH1-OE1 3.52Å; R56-E63 PolarHBondContact NH1-OE1 3.03Å; R56-E63 IonicContact NH1-OE2 3.32Å; R56-E63 PolarHBondContact NH1-OE2 2.96Å; N57-E63 WeakPolarHBondContact O-CA 3.32Å; I58-E63 HydrophobicContact CG1-CB 4.01Å; I58-E63 HydrophobicContact CG1-CG 4.22Å; E63-R66 WeakPolarHBondContact OE1-CB 3.33Å; E63-R66 IonicContact OE1-CZ 3.48Å; E63-R66 IonicContact OE1-NE 3.23Å; E63-R66 PolarHBondContact OE1-NE 2.9Å; E63-R66 IonicContact OE1-NH2 3.64Å; E63-R66 PolarHBondContact OE1-NH2 2.96Å; E63-R66 IonicContact OE2-CZ 2.68Å; E63-R66 IonicContact OE2-NE 2.93Å; E63-R66 IonicContact OE2-NH2 3.77Å; E63-R66 PolarHBondContact OE2-NH2 2.84Å; E63-V77 HydrophobicContact CG-CB 4.46Å; E63-V77 HydrophobicContact CG-CG2 4.11Å; E63-V77 WeakPolarHBondContact O-CB 3.36Å; E63-V77 WeakPolarHBondContact O-CG1 3.49Å; E63-T78 WeakPolarHBondContact O-CG2 3.4Å
64	F	98	Very high	97.9	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-26	-174.2	72	-88.6	0	0	0	113.3	Y36 N57 E62 V77 T78 L80 D84	Y36-F64 HydrophobicContact CD2-CE1 4.41Å; Y36-F64 AromaticContact CE2-CE1 3.52Å; Y36-F64 HydrophobicContact CE2-CE1 3.52Å; Y36-F64 AromaticContact CE2-CZ 3.61Å; Y36-F64 HydrophobicContact CE2-CZ 3.61Å; Y36-F64 AromaticContact CZ-CE1 3.94Å; Y36-F64 AromaticContact CZ-CZ 3.9Å; Y36-F64 WeakPolarHBondContact OH-CZ 3.23Å; N57-F64 HydrophobicContact CB-CD1 4.36Å; N57-F64 HydrophobicContact CB-CE1 3.69Å; N57-F64 HydrophobicContact CB-CE2 4.4Å; N57-F64 HydrophobicContact CB-CZ 3.71Å; N57-F64 VanDerWaalsContact O-CD1 3.32Å; N57-F64 WeakPolarHBondContact O-CD1 3.46Å; N57-F64 PolarHBondContact O-N 3.45Å; E62-F64 PolarHBondContact O-N 2.85Å; F64-V77 PolarHBondContact O-N 3.5Å; F64-T78 WeakPolarHBondContact CA-OG1 3.47Å; F64-T78 WeakPolarHBondContact CB-OG1 3.26Å; F64-T78 PolarHBondContact O-N 3.02Å; F64-L80 HydrophobicContact CB-CB 4.07Å; F64-L80 HydrophobicContact CB-CD2 4Å; F64-L80 HydrophobicContact CB-CG 4.19Å; F64-L80 HydrophobicContact CD2-CG 4.44Å; F64-L80 HydrophobicContact CG-CD2 4.16Å; F64-L80 HydrophobicContact CG-CG 4.36Å; F64-D84 WeakPolarHBondContact CE2-OD2 3.42Å
65	M	98.1	Very high	97.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.3	178.9	176.7	177.5	68.3	0	0	111.1	N57 F74 R75 D84 V85 W88	N57-M65 HydrophobicContact CB-CB 4.28Å; N57-M65 HydrophobicContact CB-CE 4.31Å; N57-M65 WeakPolarHBondContact CB-O 3.38Å; N57-M65 PolarHBondContact N-O 2.96Å; N57-M65 VanDerWaalsContact ND2-CE 3.32Å; N57-M65 WeakPolarHBondContact ND2-CE 3.44Å; M65-F74 HydrophobicContact CE-CD1 4.46Å; M65-F74 HydrophobicContact CG-CD1 4.23Å; M65-F74 HydrophobicContact SD-CD1 4.15Å; M65-R75 WeakPolarHBondContact CA-O 3.31Å; M65-D84 HydrophobicContact CE-CB 4.48Å; M65-D84 HydrophobicContact SD-CB 3.94Å; M65-V85 HydrophobicContact CG-CG2 3.79Å; M65-V85 HydrophobicContact SD-CG2 3.82Å; M65-W88 HydrophobicContact CE-CD2 3.68Å; M65-W88 HydrophobicContact CE-CE3 4.24Å; M65-W88 HydrophobicContact CE-CG 3.91Å; M65-W88 HydrophobicContact CE-CZ2 4.04Å; M65-W88 HydrophobicContact SD-CB 4.29Å; M65-W88 HydrophobicContact SD-CD2 4.35Å; M65-W88 HydrophobicContact SD-CG 3.98Å
66	R	98.5	Very high	97.9	Very high	68 Å²	68	55.2 Å²	55.2	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.3	-178	-174	-174.4	-58.4	159.9	10.9	111.5	V54 S55 R56 E63 F74 R75 V77	V54-R66 HydrophobicContact CG1-CG 3.88Å; S55-R66 CarbonylContact O-C 3.56Å; S55-R66 WeakPolarHBondContact O-CA 3.35Å; R56-R66 HydrophobicContact CG-CG 4.49Å; R56-R66 VanDerWaalsContact NH1-CZ 3.3Å; R56-R66 VanDerWaalsContact NH1-NH2 3.11Å; E63-R66 WeakPolarHBondContact OE1-CB 3.33Å; E63-R66 IonicContact OE1-CZ 3.48Å; E63-R66 IonicContact OE1-NE 3.23Å; E63-R66 PolarHBondContact OE1-NE 2.9Å; E63-R66 IonicContact OE1-NH2 3.64Å; E63-R66 PolarHBondContact OE1-NH2 2.96Å; E63-R66 IonicContact OE2-CZ 2.68Å; E63-R66 IonicContact OE2-NE 2.93Å; E63-R66 IonicContact OE2-NH2 3.77Å; E63-R66 PolarHBondContact OE2-NH2 2.84Å; R66-F74 CarbonylContact O-C 3.59Å; R66-F74 VanDerWaalsContact O-CA 3.3Å; R66-F74 WeakPolarHBondContact O-CA 3.28Å; R66-R75 PolarHBondContact N-O 3.13Å; R66-R75 PolarHBondContact O-N 3.43Å; R66-V77 HydrophobicContact CB-CG2 3.72Å
67	F	98.6	Very high	97.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.6	156.4	172.3	-88.2	0	0	0	109	L53 V54 S55 F74 L93 K96 R97	L53-F67 HydrophobicContact CD2-CE1 4.28Å; L53-F67 HydrophobicContact CG-CE1 4.41Å; V54-F67 CarbonylContact C-O 3.56Å; V54-F67 WeakPolarHBondContact CA-O 3.48Å; S55-F67 PolarHBondContact N-O 3.14Å; S55-F67 PolarHBondContact O-N 2.86Å; F67-F74 HydrophobicContact CB-CD1 3.69Å; F67-F74 HydrophobicContact CB-CD2 4.48Å; F67-F74 HydrophobicContact CB-CE1 3.71Å; F67-F74 HydrophobicContact CB-CE2 4.5Å; F67-F74 HydrophobicContact CB-CG 4.11Å; F67-F74 HydrophobicContact CB-CZ 4.15Å; F67-F74 HydrophobicContact CD2-CD2 4.16Å; F67-F74 HydrophobicContact CD2-CE2 4.23Å; F67-F74 HydrophobicContact CD2-CG 4.47Å; F67-L93 HydrophobicContact CD2-CD1 4.49Å; F67-L93 HydrophobicContact CE2-CD1 4.1Å; F67-K96 HydrophobicContact CD1-CB 4.27Å; F67-K96 HydrophobicContact CD2-CB 4.01Å; F67-K96 HydrophobicContact CE1-CB 4.19Å; F67-K96 HydrophobicContact CE2-CB 3.93Å; F67-K96 HydrophobicContact CG-CB 4.19Å; F67-K96 HydrophobicContact CZ-CB 4.02Å; F67-R97 HydrophobicContact CE2-CG 4.23Å; F67-R97 HydrophobicContact CZ-CG 4.14Å
68	D	98.6	Very high	97.9	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.064	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.3	176.2	-164.4	-35.7	0	0	0	108.6	R52 D70 V71 G72	R52-D68 IonicContact CZ-OD1 3.39Å; R52-D68 IonicContact CZ-OD2 2.62Å; R52-D68 IonicContact NE-OD1 2.76Å; R52-D68 PolarHBondContact NE-OD1 2.99Å; R52-D68 IonicContact NE-OD2 3.61Å; R52-D68 PolarHBondContact NE-OD2 3.05Å; R52-D68 IonicContact NH2-OD1 3.12Å; R52-D68 IonicContact NH2-OD2 2.74Å; R52-D68 PolarHBondContact NH2-OD2 2.81Å; D68-D70 PolarHBondContact O-N 3.05Å; D68-D70 PolarHBondContact OD1-N 3.43Å; D68-V71 HydrophobicContact CB-CB 4.26Å; D68-V71 HydrophobicContact CB-CG2 4.04Å; D68-V71 CarbonylContact O-C 3.51Å; D68-V71 PolarHBondContact O-N 2.99Å; D68-G72 PolarHBondContact O-N 3.06Å
69	S	98.4	Very high	97.7	Very high	30 Å²	30	61.5 Å²	61.5	21%	0.21	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.4	-177.5	61.8	0	0	0	0	113.3	R52 L53 V71 G72	R52-S69 WeakPolarHBondContact CA-OG 3.48Å; L53-S69 PolarHBondContact N-OG 3.06Å; L53-S69 PolarHBondContact O-N 3.43Å; L53-S69 PolarHBondContact O-OG 3.44Å; S69-V71 PolarHBondContact O-N 3.33Å; S69-G72 PolarHBondContact O-N 3.04Å
70	D	98.1	Very high	97.6	Very high	87 Å²	87	61.9 Å²	61.9	47%	0.465	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-24	176.6	-73.1	3.2	0	0	0	111.3	R50 R52 D68	R50-D70 IonicContact NH2-OD2 3.39Å; R52-D70 WeakPolarHBondContact CD-OD2 3.08Å; R52-D70 IonicContact CZ-OD2 2.7Å; R52-D70 IonicContact NE-OD2 3.01Å; D68-D70 PolarHBondContact O-N 3.05Å; D68-D70 PolarHBondContact OD1-N 3.43Å
71	V	98.2	Very high	97.7	Very high	87 Å²	87	59.1 Å²	59.1	53%	0.527	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-34.6	173.8	-177.4	0	0	0	0	110.9	D68 S69 E73 R75	D68-V71 HydrophobicContact CB-CB 4.26Å; D68-V71 HydrophobicContact CB-CG2 4.04Å; D68-V71 CarbonylContact O-C 3.51Å; D68-V71 PolarHBondContact O-N 2.99Å; S69-V71 PolarHBondContact O-N 3.33Å; V71-E73 HydrophobicContact CG1-CG 4.19Å; V71-R75 HydrophobicContact CG1-CG 4.47Å
72	G	97.5	Very high	97.6	Very high	14 Å²	14	55.2 Å²	55.2	14%	0.144	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	10.5	175.5	0	0	0	0	0	115	D68 S69 L93 R97	D68-G72 PolarHBondContact O-N 3.06Å; S69-G72 PolarHBondContact O-N 3.04Å; G72-L93 VanDerWaalsContact O-CD1 3.3Å; G72-L93 WeakPolarHBondContact O-CD1 3.5Å; G72-R97 VanDerWaalsContact O-CZ 3.23Å; G72-R97 PolarHBondContact O-NE 2.87Å; G72-R97 PolarHBondContact O-NH2 3.4Å
73	E	98.1	Very high	97.5	Very high	53 Å²	53	54.7 Å²	54.7	25%	0.248	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169.6	178.6	66.8	-175.8	-176.8	0	0	113.7	V71 R75 L93	V71-E73 HydrophobicContact CG1-CG 4.19Å; E73-R75 HydrophobicContact CG-CG 4.46Å; E73-R75 IonicContact OE1-CZ 3.44Å; E73-R75 IonicContact OE1-NE 3.42Å; E73-R75 PolarHBondContact OE1-NE 3.27Å; E73-R75 IonicContact OE1-NH2 2.66Å; E73-R75 PolarHBondContact OE1-NH2 2.96Å; E73-L93 HydrophobicContact CB-CD1 3.8Å
74	F	98.3	Very high	97.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.4	171.4	-67.2	-93.3	0	0	0	110.4	M65 R66 F67 V85 W88 N89 K96	M65-F74 HydrophobicContact CE-CD1 4.46Å; M65-F74 HydrophobicContact CG-CD1 4.23Å; M65-F74 HydrophobicContact SD-CD1 4.15Å; R66-F74 CarbonylContact O-C 3.59Å; R66-F74 VanDerWaalsContact O-CA 3.3Å; R66-F74 WeakPolarHBondContact O-CA 3.28Å; F67-F74 HydrophobicContact CB-CD1 3.69Å; F67-F74 HydrophobicContact CB-CD2 4.48Å; F67-F74 HydrophobicContact CB-CE1 3.71Å; F67-F74 HydrophobicContact CB-CE2 4.5Å; F67-F74 HydrophobicContact CB-CG 4.11Å; F67-F74 HydrophobicContact CB-CZ 4.15Å; F67-F74 HydrophobicContact CD2-CD2 4.16Å; F67-F74 HydrophobicContact CD2-CE2 4.23Å; F67-F74 HydrophobicContact CD2-CG 4.47Å; F74-V85 HydrophobicContact CB-CG1 4.33Å; F74-V85 WeakPolarHBondContact O-CG1 3.46Å; F74-W88 HydrophobicContact CD1-CB 4.4Å; F74-W88 HydrophobicContact CD1-CE3 4.36Å; F74-W88 HydrophobicContact CD2-CB 4.09Å; F74-W88 HydrophobicContact CE1-CD2 4.38Å; F74-W88 AromaticContact CE1-CE3 3.59Å; F74-W88 HydrophobicContact CE1-CE3 3.59Å; F74-W88 HydrophobicContact CE1-CZ3 4.13Å; F74-W88 HydrophobicContact CE2-CB 4.33Å; F74-W88 HydrophobicContact CE2-CE3 4.2Å; F74-W88 HydrophobicContact CG-CB 4.1Å; F74-W88 HydrophobicContact CZ-CD2 4.47Å; F74-W88 AromaticContact CZ-CE3 3.47Å; F74-W88 HydrophobicContact CZ-CE3 3.47Å; F74-W88 VanDerWaalsContact CZ-CE3 3.47Å; F74-W88 HydrophobicContact CZ-CZ3 4.07Å; F74-N89 WeakPolarHBondContact CB-OD1 3.32Å; F74-N89 WeakPolarHBondContact CD2-OD1 3.37Å; F74-N89 PolarHBondContact N-OD1 3.04Å; F74-N89 PolarHBondContact O-ND2 3.33Å; F74-K96 HydrophobicContact CE1-CG 4.45Å; F74-K96 HydrophobicContact CE2-CB 4.22Å; F74-K96 HydrophobicContact CE2-CG 3.8Å; F74-K96 HydrophobicContact CZ-CB 4.27Å; F74-K96 HydrophobicContact CZ-CD 4.43Å; F74-K96 HydrophobicContact CZ-CG 3.42Å; F74-K96 VanDerWaalsContact CZ-CG 3.42Å
75	R	98.3	Very high	97.1	Very high	146 Å²	146	56.7 Å²	56.7	55%	0.551	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.6	175.3	-71	-67.2	-174.8	151.9	-3.6	110.4	M65 R66 V71 E73 V77	M65-R75 WeakPolarHBondContact CA-O 3.31Å; R66-R75 PolarHBondContact N-O 3.13Å; R66-R75 PolarHBondContact O-N 3.43Å; V71-R75 HydrophobicContact CG1-CG 4.47Å; E73-R75 HydrophobicContact CG-CG 4.46Å; E73-R75 IonicContact OE1-CZ 3.44Å; E73-R75 IonicContact OE1-NE 3.42Å; E73-R75 PolarHBondContact OE1-NE 3.27Å; E73-R75 IonicContact OE1-NH2 2.66Å; E73-R75 PolarHBondContact OE1-NH2 2.96Å; R75-V77 PolarHBondContact O-N 2.99Å
76	A	97.9	Very high	96.9	Very high	39 Å²	39	64.4 Å²	64.4	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.1	169.7	0	0	0	0	0	106.9	R82 V85	A76-R82 HydrophobicContact CB-CG 3.95Å; A76-V85 HydrophobicContact CB-CG2 3.98Å; A76-V85 VanDerWaalsContact N-CG2 3.31Å
77	V	98	Very high	96.7	Very high	63 Å²	63	67 Å²	67	38%	0.382	34%	0.339	S	S	.	.	S	Bend	trans	-85.3	-30.8	172.8	179.8	0	0	0	0	109.4	E63 F64 R66 R75	E63-V77 HydrophobicContact CG-CB 4.46Å; E63-V77 HydrophobicContact CG-CG2 4.11Å; E63-V77 WeakPolarHBondContact O-CB 3.36Å; E63-V77 WeakPolarHBondContact O-CG1 3.49Å; F64-V77 PolarHBondContact O-N 3.5Å; R66-V77 HydrophobicContact CB-CG2 3.72Å; R75-V77 PolarHBondContact O-N 2.99Å
78	T	97.6	Very high	96.6	Very high	32 Å²	32	69.9 Å²	69.9	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-136.5	167.2	177.9	71	0	0	0	0	109.9	E62 E63 F64 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.95Å; E62-T78 VanDerWaalsContact OE1-CG2 3.23Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.19Å; E63-T78 WeakPolarHBondContact O-CG2 3.4Å; F64-T78 WeakPolarHBondContact CA-OG1 3.47Å; F64-T78 WeakPolarHBondContact CB-OG1 3.26Å; F64-T78 PolarHBondContact O-N 3.02Å; T78-L80 PolarHBondContact O-N 3.41Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-G81 PolarHBondContact O-N 3.41Å
79	E	96	Very high	96.6	Very high	125 Å²	125	71 Å²	71	58%	0.584	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.7	-179.7	-67.6	-58.8	127.6	0	0	112.8	G81 R82	E79-G81 PolarHBondContact O-N 3.47Å; E79-R82 PolarHBondContact O-N 3.23Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 2.78Å; E79-R82 VanDerWaalsContact OE1-CZ 3.23Å; E79-R82 IonicContact OE1-NE 3.16Å; E79-R82 PolarHBondContact OE1-NE 3.34Å; E79-R82 IonicContact OE1-NH2 2.77Å; E79-R82 PolarHBondContact OE1-NH2 2.97Å; E79-R82 WeakPolarHBondContact OE2-CD 3.48Å; E79-R82 IonicContact OE2-CZ 3.66Å; E79-R82 IonicContact OE2-NE 3.4Å; E79-R82 PolarHBondContact OE2-NE 3.08Å; E79-R82 IonicContact OE2-NH2 3.43Å
80	L	95.6	Very high	96.5	Very high	94 Å²	94	77.6 Å²	77.6	49%	0.492	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-57.1	-32.5	177.8	-179	64.5	0	0	0	112.7	Y59 F64 T78 P83	Y59-L80 HydrophobicContact CD1-CD2 4.19Å; Y59-L80 HydrophobicContact CG-CD2 4.46Å; F64-L80 HydrophobicContact CB-CB 4.07Å; F64-L80 HydrophobicContact CB-CD2 4Å; F64-L80 HydrophobicContact CB-CG 4.19Å; F64-L80 HydrophobicContact CD2-CG 4.44Å; F64-L80 HydrophobicContact CG-CD2 4.16Å; F64-L80 HydrophobicContact CG-CG 4.36Å; T78-L80 PolarHBondContact O-N 3.41Å; T78-L80 VanDerWaalsContact O-N 3.15Å; L80-P83 WeakPolarHBondContact O-CD 3.39Å
81	G	95.4	Very high	96.4	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-88.3	-7.2	-178.4	0	0	0	0	0	115.8	T78 E79 P83 D84 V85	T78-G81 PolarHBondContact O-N 3.41Å; E79-G81 PolarHBondContact O-N 3.47Å; G81-P83 VanDerWaalsContact C-CD 3.47Å; G81-D84 PolarHBondContact O-N 3.41Å; G81-V85 WeakPolarHBondContact O-CG2 3.34Å; G81-V85 PolarHBondContact O-N 3.46Å
82	R	94.9	Very high	96.3	Very high	160 Å²	160	78.2 Å²	78.2	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-57.4	-43.9	179.4	-71.3	-170.5	-175.7	-134.4	9.8	113.7	A76 E79 D84	A76-R82 HydrophobicContact CB-CG 3.95Å; E79-R82 PolarHBondContact O-N 3.23Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 2.78Å; E79-R82 VanDerWaalsContact OE1-CZ 3.23Å; E79-R82 IonicContact OE1-NE 3.16Å; E79-R82 PolarHBondContact OE1-NE 3.34Å; E79-R82 IonicContact OE1-NH2 2.77Å; E79-R82 PolarHBondContact OE1-NH2 2.97Å; E79-R82 WeakPolarHBondContact OE2-CD 3.48Å; E79-R82 IonicContact OE2-CZ 3.66Å; E79-R82 IonicContact OE2-NE 3.4Å; E79-R82 PolarHBondContact OE2-NE 3.08Å; E79-R82 IonicContact OE2-NH2 3.43Å; R82-D84 PolarHBondContact O-N 2.89Å
83	P	94.3	Very high	96.3	Very high	100 Å²	100	78.6 Å²	78.6	65%	0.649	37%	0.371	S	S	*	.	H	α-helix	trans	-62.7	-32.2	-179.1	-22.2	34.8	0	0	0	113.1	L80 G81	L80-P83 WeakPolarHBondContact O-CD 3.39Å; G81-P83 VanDerWaalsContact C-CD 3.47Å
84	D	92	Very high	96.3	Very high	60 Å²	60	81.8 Å²	81.8	32%	0.321	39%	0.386	S	S	.	.	H	α-helix	trans	-81.6	-38.8	-174.1	-66.5	-38.5	0	0	0	112.4	F64 M65 G81 R82 E86 Y87 W88	F64-D84 WeakPolarHBondContact CE2-OD2 3.42Å; M65-D84 HydrophobicContact CE-CB 4.48Å; M65-D84 HydrophobicContact SD-CB 3.94Å; G81-D84 PolarHBondContact O-N 3.41Å; R82-D84 PolarHBondContact O-N 2.89Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 VanDerWaalsContact O-N 3.17Å; D84-Y87 PolarHBondContact O-N 3.08Å; D84-Y87 VanDerWaalsContact O-N 3.08Å; D84-W88 PolarHBondContact O-N 3.45Å
85	V	95.9	Very high	96.3	Very high	20 Å²	20	88.3 Å²	88.3	12%	0.121	42%	0.416	C	S	.	.	H	α-helix	trans	-58.8	-38.2	-167.2	166.3	0	0	0	0	113.5	M65 F74 A76 G81 W88 N89	M65-V85 HydrophobicContact CG-CG2 3.79Å; M65-V85 HydrophobicContact SD-CG2 3.82Å; F74-V85 HydrophobicContact CB-CG1 4.33Å; F74-V85 WeakPolarHBondContact O-CG1 3.46Å; A76-V85 HydrophobicContact CB-CG2 3.98Å; A76-V85 VanDerWaalsContact N-CG2 3.31Å; G81-V85 WeakPolarHBondContact O-CG2 3.34Å; G81-V85 PolarHBondContact O-N 3.46Å; V85-W88 PolarHBondContact O-N 3.07Å; V85-N89 WeakPolarHBondContact CG1-ND2 3.41Å; V85-N89 VanDerWaalsContact O-CB 3.31Å; V85-N89 WeakPolarHBondContact O-CB 3.37Å; V85-N89 PolarHBondContact O-N 3.22Å; V85-N89 PolarHBondContact O-ND2 2.92Å
86	E	93.8	Very high	96.2	Very high	162 Å²	162	83.4 Å²	83.4	76%	0.757	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-47.8	177.6	-172.7	-180	170.9	0	0	111.5	D84 W88 N89 K90	D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 VanDerWaalsContact O-N 3.17Å; E86-W88 PolarHBondContact O-N 3.27Å; E86-N89 PolarHBondContact O-N 3.49Å; E86-K90 WeakPolarHBondContact O-CB 3.48Å; E86-K90 PolarHBondContact O-N 2.98Å
87	Y	94.4	Very high	96.3	Very high	122 Å²	122	86.4 Å²	86.4	48%	0.478	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-45.6	176.6	173.9	-101	0	0	0	111.5	D84 K90 Q91 Y92	D84-Y87 PolarHBondContact O-N 3.08Å; D84-Y87 VanDerWaalsContact O-N 3.08Å; Y87-K90 PolarHBondContact O-N 2.86Å; Y87-K90 VanDerWaalsContact O-N 3.16Å; Y87-Q91 HydrophobicContact CD2-CG 3.9Å; Y87-Q91 HydrophobicContact CE1-CG 4.26Å; Y87-Q91 HydrophobicContact CE2-CG 3.5Å; Y87-Q91 HydrophobicContact CG-CG 4.43Å; Y87-Q91 WeakPolarHBondContact O-CG 3.45Å; Y87-Q91 PolarHBondContact O-N 2.77Å; Y87-Y92 HydrophobicContact CD1-CE2 4.44Å; Y87-Y92 AromaticContact CE1-CE2 3.77Å; Y87-Y92 HydrophobicContact CE1-CE2 3.77Å
88	W	97.4	Very high	96.3	Very high	62 Å²	62	85.6 Å²	85.6	24%	0.235	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-39.3	-178.6	-81.1	75.4	0	0	0	112.7	M65 F74 D84 V85 E86 K90 Q91 Y92 L93	M65-W88 HydrophobicContact CE-CD2 3.68Å; M65-W88 HydrophobicContact CE-CE3 4.24Å; M65-W88 HydrophobicContact CE-CG 3.91Å; M65-W88 HydrophobicContact CE-CZ2 4.04Å; M65-W88 HydrophobicContact SD-CB 4.29Å; M65-W88 HydrophobicContact SD-CD2 4.35Å; M65-W88 HydrophobicContact SD-CG 3.98Å; F74-W88 HydrophobicContact CD1-CB 4.4Å; F74-W88 HydrophobicContact CD1-CE3 4.36Å; F74-W88 HydrophobicContact CD2-CB 4.09Å; F74-W88 HydrophobicContact CE1-CD2 4.38Å; F74-W88 AromaticContact CE1-CE3 3.59Å; F74-W88 HydrophobicContact CE1-CE3 3.59Å; F74-W88 HydrophobicContact CE1-CZ3 4.13Å; F74-W88 HydrophobicContact CE2-CB 4.33Å; F74-W88 HydrophobicContact CE2-CE3 4.2Å; F74-W88 HydrophobicContact CG-CB 4.1Å; F74-W88 HydrophobicContact CZ-CD2 4.47Å; F74-W88 AromaticContact CZ-CE3 3.47Å; F74-W88 HydrophobicContact CZ-CE3 3.47Å; F74-W88 VanDerWaalsContact CZ-CE3 3.47Å; F74-W88 HydrophobicContact CZ-CZ3 4.07Å; D84-W88 PolarHBondContact O-N 3.45Å; V85-W88 PolarHBondContact O-N 3.07Å; E86-W88 PolarHBondContact O-N 3.27Å; W88-K90 VanDerWaalsContact C-N 3.27Å; W88-K90 PolarHBondContact O-N 2.85Å; W88-Q91 PolarHBondContact O-N 3.42Å; W88-Y92 HydrophobicContact CB-CD2 4.49Å; W88-Y92 AromaticContact CD2-CD2 3.8Å; W88-Y92 HydrophobicContact CD2-CD2 3.8Å; W88-Y92 HydrophobicContact CD2-CE2 4.26Å; W88-Y92 AromaticContact CE3-CD2 3.53Å; W88-Y92 HydrophobicContact CE3-CD2 3.53Å; W88-Y92 HydrophobicContact CE3-CE2 4.26Å; W88-Y92 HydrophobicContact CE3-CG 4.19Å; W88-Y92 HydrophobicContact CG-CD2 4.21Å; W88-Y92 HydrophobicContact CZ3-CD2 4.05Å; W88-Y92 PolarHBondContact O-N 2.89Å; W88-L93 PolarHBondContact O-N 2.86Å
89	N	97.9	Very high	96.3	Very high	34 Å²	34	84.6 Å²	84.6	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-66.5	-30.6	173.8	-80.1	-34.2	0	0	0	112.3	F74 V85 E86 L93	F74-N89 WeakPolarHBondContact CB-OD1 3.32Å; F74-N89 WeakPolarHBondContact CD2-OD1 3.37Å; F74-N89 PolarHBondContact N-OD1 3.04Å; F74-N89 PolarHBondContact O-ND2 3.33Å; V85-N89 WeakPolarHBondContact CG1-ND2 3.41Å; V85-N89 VanDerWaalsContact O-CB 3.31Å; V85-N89 WeakPolarHBondContact O-CB 3.37Å; V85-N89 PolarHBondContact O-N 3.22Å; V85-N89 PolarHBondContact O-ND2 2.92Å; E86-N89 PolarHBondContact O-N 3.49Å; N89-L93 HydrophobicContact CB-CD2 4.48Å; N89-L93 WeakPolarHBondContact O-CB 3.38Å
90	K	96.4	Very high	96.4	Very high	170 Å²	170	79.7 Å²	79.7	74%	0.739	38%	0.375	S	S	*	.	H	α-helix	trans	-75.4	-40.2	175.7	-172.8	175.6	179.2	176.6	0	113.1	E86 Y87 W88	E86-K90 WeakPolarHBondContact O-CB 3.48Å; E86-K90 PolarHBondContact O-N 2.98Å; Y87-K90 PolarHBondContact O-N 2.86Å; Y87-K90 VanDerWaalsContact O-N 3.16Å; W88-K90 VanDerWaalsContact C-N 3.27Å; W88-K90 PolarHBondContact O-N 2.85Å
91	Q	96.8	Very high	96.6	Very high	104 Å²	104	79 Å²	79	49%	0.486	37%	0.372	S	S	.	.	H	α-helix	trans	-96.5	-34.6	-170.3	-61.9	-56.6	-40.7	0	0	114.4	Y87 W88	Y87-Q91 HydrophobicContact CD2-CG 3.9Å; Y87-Q91 HydrophobicContact CE1-CG 4.26Å; Y87-Q91 HydrophobicContact CE2-CG 3.5Å; Y87-Q91 HydrophobicContact CG-CG 4.43Å; Y87-Q91 WeakPolarHBondContact O-CG 3.45Å; Y87-Q91 PolarHBondContact O-N 2.77Å; W88-Q91 PolarHBondContact O-N 3.42Å
92	Y	96.6	Very high	96.7	Very high	82 Å²	82	83.4 Å²	83.4	32%	0.322	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-2.2	-165.3	-55.8	-63.8	0	0	0	114.8	Y87 W88 E94 Q95 K96	Y87-Y92 HydrophobicContact CD1-CE2 4.44Å; Y87-Y92 AromaticContact CE1-CE2 3.77Å; Y87-Y92 HydrophobicContact CE1-CE2 3.77Å; W88-Y92 HydrophobicContact CB-CD2 4.49Å; W88-Y92 AromaticContact CD2-CD2 3.8Å; W88-Y92 HydrophobicContact CD2-CD2 3.8Å; W88-Y92 HydrophobicContact CD2-CE2 4.26Å; W88-Y92 AromaticContact CE3-CD2 3.53Å; W88-Y92 HydrophobicContact CE3-CD2 3.53Å; W88-Y92 HydrophobicContact CE3-CE2 4.26Å; W88-Y92 HydrophobicContact CE3-CG 4.19Å; W88-Y92 HydrophobicContact CG-CD2 4.21Å; W88-Y92 HydrophobicContact CZ3-CD2 4.05Å; W88-Y92 PolarHBondContact O-N 2.89Å; Y92-E94 PolarHBondContact O-N 2.75Å; Y92-Q95 PolarHBondContact O-N 2.82Å; Y92-K96 PolarHBondContact O-N 2.75Å
93	L	97.8	Very high	96.9	Very high	22 Å²	22	78.7 Å²	78.7	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-58.4	-53.2	-172.4	-178.6	55.8	0	0	0	113.1	F67 G72 E73 W88 N89 Q95 K96 R97	F67-L93 HydrophobicContact CD2-CD1 4.49Å; F67-L93 HydrophobicContact CE2-CD1 4.1Å; G72-L93 VanDerWaalsContact O-CD1 3.3Å; G72-L93 WeakPolarHBondContact O-CD1 3.5Å; E73-L93 HydrophobicContact CB-CD1 3.8Å; W88-L93 PolarHBondContact O-N 2.86Å; N89-L93 HydrophobicContact CB-CD2 4.48Å; N89-L93 WeakPolarHBondContact O-CB 3.38Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.05Å; L93-K96 PolarHBondContact O-N 2.86Å; L93-K96 VanDerWaalsContact O-N 3.15Å; L93-R97 HydrophobicContact CD1-CG 4.46Å; L93-R97 WeakPolarHBondContact O-CG 3.03Å; L93-R97 PolarHBondContact O-N 3.35Å
94	E	98	Very high	97.1	Very high	120 Å²	120	74 Å²	74	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-38.3	-178.5	-64.8	-50.9	126	0	0	112	Y92 K96 R97 A98	Y92-E94 PolarHBondContact O-N 2.75Å; E94-K96 VanDerWaalsContact C-N 3.32Å; E94-K96 PolarHBondContact O-N 2.93Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-CZ 3.72Å; E94-R97 IonicContact OE1-NE 2.96Å; E94-R97 IonicContact OE1-NH1 3.62Å; E94-R97 PolarHBondContact OE1-NH1 2.95Å; E94-A98 WeakPolarHBondContact O-CB 3.03Å; E94-A98 PolarHBondContact O-N 2.89Å
95	Q	97.4	Very high	97.4	Very high	137 Å²	137	74.5 Å²	74.5	64%	0.64	36%	0.355	S	S	*	.	H	α-helix	trans	-61.6	-41.1	174.3	-170.8	-174.5	14	0	0	111.5	Y92 L93 A99	Y92-Q95 PolarHBondContact O-N 2.82Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-Q95 PolarHBondContact O-N 3.05Å; Q95-A99 PolarHBondContact O-N 3.36Å; Q95-A99 VanDerWaalsContact O-N 3.12Å
96	K	97.3	Very high	97.5	Very high	43 Å²	43	79.1 Å²	79.1	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-71	-36.3	176.6	-79.6	-51.7	-171.5	179.1	0	113.6	F67 F74 Y92 L93 E94 A99	F67-K96 HydrophobicContact CD1-CB 4.27Å; F67-K96 HydrophobicContact CD2-CB 4.01Å; F67-K96 HydrophobicContact CE1-CB 4.19Å; F67-K96 HydrophobicContact CE2-CB 3.93Å; F67-K96 HydrophobicContact CG-CB 4.19Å; F67-K96 HydrophobicContact CZ-CB 4.02Å; F74-K96 HydrophobicContact CE1-CG 4.45Å; F74-K96 HydrophobicContact CE2-CB 4.22Å; F74-K96 HydrophobicContact CE2-CG 3.8Å; F74-K96 HydrophobicContact CZ-CB 4.27Å; F74-K96 HydrophobicContact CZ-CD 4.43Å; F74-K96 HydrophobicContact CZ-CG 3.42Å; F74-K96 VanDerWaalsContact CZ-CG 3.42Å; Y92-K96 PolarHBondContact O-N 2.75Å; L93-K96 PolarHBondContact O-N 2.86Å; L93-K96 VanDerWaalsContact O-N 3.15Å; E94-K96 VanDerWaalsContact C-N 3.32Å; E94-K96 PolarHBondContact O-N 2.93Å; K96-A99 WeakPolarHBondContact O-CB 3.38Å; K96-A99 PolarHBondContact O-N 2.89Å
97	R	98.3	Very high	97.7	Very high	103 Å²	103	74.6 Å²	74.6	39%	0.389	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-47.8	171.7	-73	172.3	174.4	174	-5.4	110.7	F67 G72 L93 E94 A99 V100	F67-R97 HydrophobicContact CE2-CG 4.23Å; F67-R97 HydrophobicContact CZ-CG 4.14Å; G72-R97 VanDerWaalsContact O-CZ 3.23Å; G72-R97 PolarHBondContact O-NE 2.87Å; G72-R97 PolarHBondContact O-NH2 3.4Å; L93-R97 HydrophobicContact CD1-CG 4.46Å; L93-R97 WeakPolarHBondContact O-CG 3.03Å; L93-R97 PolarHBondContact O-N 3.35Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-CZ 3.72Å; E94-R97 IonicContact OE1-NE 2.96Å; E94-R97 IonicContact OE1-NH1 3.62Å; E94-R97 PolarHBondContact OE1-NH1 2.95Å; R97-A99 PolarHBondContact O-N 3.39Å; R97-V100 WeakPolarHBondContact O-CG2 3.25Å; R97-V100 PolarHBondContact O-N 2.74Å
98	A	98.4	Very high	97.9	Very high	45 Å²	45	71 Å²	71	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-27.5	177.6	0	0	0	0	0	113.4	E94 V100 D101 T102	E94-A98 WeakPolarHBondContact O-CB 3.03Å; E94-A98 PolarHBondContact O-N 2.89Å; A98-V100 PolarHBondContact O-N 3.36Å; A98-V100 VanDerWaalsContact O-N 3.15Å; A98-D101 PolarHBondContact O-N 2.94Å; A98-T102 HydrophobicContact CB-CG2 4.47Å; A98-T102 PolarHBondContact O-N 3.23Å; A98-T102 PolarHBondContact O-OG1 3.44Å
99	A	98.3	Very high	97.9	Very high	12 Å²	12	72.5 Å²	72.5	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-17.6	-180	0	0	0	0	0	114.3	L53 Q95 K96 R97 D101 T102 V103 C104	L53-A99 HydrophobicContact CD2-CB 3.7Å; Q95-A99 PolarHBondContact O-N 3.36Å; Q95-A99 VanDerWaalsContact O-N 3.12Å; K96-A99 WeakPolarHBondContact O-CB 3.38Å; K96-A99 PolarHBondContact O-N 2.89Å; R97-A99 PolarHBondContact O-N 3.39Å; A99-D101 VanDerWaalsContact C-N 3.25Å; A99-D101 PolarHBondContact O-N 2.87Å; A99-T102 WeakPolarHBondContact CA-OG1 3.26Å; A99-V103 HydrophobicContact CB-CB 4.41Å; A99-V103 HydrophobicContact CB-CG2 4.04Å; A99-V103 WeakPolarHBondContact O-CA 3.19Å; A99-V103 VanDerWaalsContact O-CB 3.3Å; A99-V103 WeakPolarHBondContact O-CB 3.33Å; A99-V103 PolarHBondContact O-N 3.45Å; A99-V103 VanDerWaalsContact O-N 3.1Å; A99-C104 PolarHBondContact O-N 3.35Å
100	V	98.5	Very high	97.9	Very high	22 Å²	22	72 Å²	72	13%	0.133	35%	0.353	C	S	.	.	I	π-helix	trans	-57.8	-43.1	169.8	177.4	0	0	0	0	110.3	I51 L53 R97 A98 C104 R105	I51-V100 HydrophobicContact CB-CG1 4.09Å; I51-V100 HydrophobicContact CG2-CG1 3.98Å; L53-V100 HydrophobicContact CB-CG2 3.85Å; L53-V100 HydrophobicContact CD2-CG2 4.21Å; R97-V100 WeakPolarHBondContact O-CG2 3.25Å; R97-V100 PolarHBondContact O-N 2.74Å; A98-V100 PolarHBondContact O-N 3.36Å; A98-V100 VanDerWaalsContact O-N 3.15Å; V100-C104 VanDerWaalsContact O-CB 3.23Å; V100-C104 WeakPolarHBondContact O-CB 3.48Å; V100-C104 PolarHBondContact O-N 3.11Å; V100-R105 PolarHBondContact O-N 3.14Å
101	D	98.4	Very high	97.9	Very high	80 Å²	80	66.8 Å²	66.8	43%	0.428	34%	0.337	S	S	.	.	I	π-helix	trans	-93.2	-47.7	-179.7	-64.5	-53.4	0	0	0	111.8	A98 A99 V103 R105 H106	A98-D101 PolarHBondContact O-N 2.94Å; A99-D101 VanDerWaalsContact C-N 3.25Å; A99-D101 PolarHBondContact O-N 2.87Å; D101-V103 VanDerWaalsContact C-N 3.26Å; D101-V103 PolarHBondContact O-N 3.43Å; D101-R105 WeakPolarHBondContact O-CB 3.09Å; D101-R105 IonicContact OD1-CZ 3.81Å; D101-R105 IonicContact OD1-NE 2.7Å; D101-R105 PolarHBondContact OD1-NE 3.16Å; D101-R105 IonicContact OD1-NH2 3.92Å; D101-R105 PolarHBondContact OD1-NH2 3.5Å; D101-R105 VanDerWaalsContact OD1-NH2 3.12Å; D101-H106 PolarHBondContact O-N 3.5Å
102	T	98.2	Very high	97.9	Very high	91 Å²	91	65.2 Å²	65.2	56%	0.558	33%	0.33	S	S	*	.	I	π-helix	trans	-71.3	-20.9	-173.4	64.2	0	0	0	0	113.7	A98 A99 H106	A98-T102 HydrophobicContact CB-CG2 4.47Å; A98-T102 PolarHBondContact O-N 3.23Å; A98-T102 PolarHBondContact O-OG1 3.44Å; A99-T102 WeakPolarHBondContact CA-OG1 3.26Å; T102-H106 VanDerWaalsContact O-CB 3.32Å; T102-H106 WeakPolarHBondContact O-CB 3.47Å
103	V	98.1	Very high	98	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.376	33%	0.327	S	S	.	.	I	π-helix	trans	-114.6	-62.5	176.5	-177	0	0	0	0	110.6	A99 D101 N107	A99-V103 HydrophobicContact CB-CB 4.41Å; A99-V103 HydrophobicContact CB-CG2 4.04Å; A99-V103 WeakPolarHBondContact O-CA 3.19Å; A99-V103 VanDerWaalsContact O-CB 3.3Å; A99-V103 WeakPolarHBondContact O-CB 3.33Å; A99-V103 PolarHBondContact O-N 3.45Å; A99-V103 VanDerWaalsContact O-N 3.1Å; D101-V103 VanDerWaalsContact C-N 3.26Å; D101-V103 PolarHBondContact O-N 3.43Å; V103-N107 WeakPolarHBondContact O-CB 3.3Å; V103-N107 PolarHBondContact O-N 2.87Å; V103-N107 PolarHBondContact O-ND2 2.9Å
104	C	98.4	Very high	97.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	I	π-helix	trans	-66.5	-54.3	-171.5	-58	0	0	0	0	112.1	C42 F44 I51 A99 V100 Y108	C42-C104 HydrophobicContact CB-CB 3.55Å; C42-C104 WeakPolarHBondContact CB-SG 3.47Å; C42-C104 VanDerWaalsContact SG-CA 3.52Å; C42-C104 WeakPolarHBondContact SG-CB 3.43Å; C42-C104 CovalentContact SG-SG 2.03Å; C42-C104 PolarHBondContact SG-SG 3.49Å; F44-C104 HydrophobicContact CE1-CB 4.05Å; F44-C104 WeakPolarHBondContact CE1-O 3.15Å; F44-C104 HydrophobicContact CZ-CB 4Å; F44-C104 WeakPolarHBondContact CZ-O 3.22Å; I51-C104 HydrophobicContact CG2-CB 3.62Å; A99-C104 PolarHBondContact O-N 3.35Å; V100-C104 VanDerWaalsContact O-CB 3.23Å; V100-C104 WeakPolarHBondContact O-CB 3.48Å; V100-C104 PolarHBondContact O-N 3.11Å; C104-Y108 WeakPolarHBondContact O-CB 3.41Å; C104-Y108 PolarHBondContact O-N 3.09Å
105	R	98.6	Very high	97.7	Very high	72 Å²	72	66.2 Å²	66.2	27%	0.272	35%	0.345	S	S	.	.	I	π-helix	trans	-63.7	-49	179.3	-172	-175.8	-56.4	-75.3	-7.5	111.3	T48 I51 V100 D101 N107 Y108 E109	T48-R105 VanDerWaalsContact CB-NH1 3.33Å; T48-R105 HydrophobicContact CG2-CG 4.27Å; T48-R105 PolarHBondContact O-NH1 2.93Å; T48-R105 PolarHBondContact OG1-NH1 2.68Å; I51-R105 HydrophobicContact CD1-CB 3.7Å; I51-R105 HydrophobicContact CD1-CG 4.18Å; V100-R105 PolarHBondContact O-N 3.14Å; D101-R105 WeakPolarHBondContact O-CB 3.09Å; D101-R105 IonicContact OD1-CZ 3.81Å; D101-R105 IonicContact OD1-NE 2.7Å; D101-R105 PolarHBondContact OD1-NE 3.16Å; D101-R105 IonicContact OD1-NH2 3.92Å; D101-R105 PolarHBondContact OD1-NH2 3.5Å; D101-R105 VanDerWaalsContact OD1-NH2 3.12Å; R105-N107 VanDerWaalsContact C-N 3.35Å; R105-N107 PolarHBondContact O-N 2.84Å; R105-Y108 PolarHBondContact O-N 3.32Å; R105-Y108 VanDerWaalsContact O-N 3.17Å; R105-E109 VanDerWaalsContact CG-CD 3.4Å; R105-E109 HydrophobicContact CG-CG 4.24Å; R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact NH1-OE1 3.65Å; R105-E109 WeakPolarHBondContact O-CB 3.33Å; R105-E109 PolarHBondContact O-N 2.98Å
106	H	98.1	Very high	97.7	Very high	117 Å²	117	60.4 Å²	60.4	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-53.2	-49.7	177.9	177	71.6	0	0	0	112.4	D101 T102 Y108 G110	D101-H106 PolarHBondContact O-N 3.5Å; T102-H106 VanDerWaalsContact O-CB 3.32Å; T102-H106 WeakPolarHBondContact O-CB 3.47Å; H106-Y108 PolarHBondContact O-N 2.99Å; H106-G110 PolarHBondContact O-N 2.73Å
107	N	98.3	Very high	97.6	Very high	67 Å²	67	62.8 Å²	62.8	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-38.1	-180	-72.1	-12.7	0	0	0	112.1	V103 R105 P111 E112	V103-N107 WeakPolarHBondContact O-CB 3.3Å; V103-N107 PolarHBondContact O-N 2.87Å; V103-N107 PolarHBondContact O-ND2 2.9Å; R105-N107 VanDerWaalsContact C-N 3.35Å; R105-N107 PolarHBondContact O-N 2.84Å; N107-P111 WeakPolarHBondContact O-CD 3.24Å; N107-E112 WeakPolarHBondContact O-CG 3.32Å; N107-E112 PolarHBondContact O-N 3Å
108	Y	98.4	Very high	97.6	Very high	46 Å²	46	65.4 Å²	65.4	18%	0.18	34%	0.344	C	S	.	.	I	π-helix	trans	-63.4	-52.4	177.4	-170.9	-77.8	0	0	0	111.5	F44 T48 C104 R105 H106 T113 L117	F44-Y108 HydrophobicContact CB-CD2 4.13Å; F44-Y108 HydrophobicContact CB-CE2 3.91Å; F44-Y108 AromaticContact CD1-CD2 3.43Å; F44-Y108 HydrophobicContact CD1-CD2 3.43Å; F44-Y108 VanDerWaalsContact CD1-CD2 3.43Å; F44-Y108 HydrophobicContact CD1-CE2 4.06Å; F44-Y108 AromaticContact CD1-CG 3.99Å; F44-Y108 HydrophobicContact CD1-CG 3.99Å; F44-Y108 AromaticContact CD2-CD2 3.76Å; F44-Y108 HydrophobicContact CD2-CD2 3.76Å; F44-Y108 HydrophobicContact CD2-CE2 4.21Å; F44-Y108 AromaticContact CE1-CD2 3.66Å; F44-Y108 HydrophobicContact CE1-CD2 3.66Å; F44-Y108 AromaticContact CE1-CG 3.94Å; F44-Y108 HydrophobicContact CE1-CG 3.94Å; F44-Y108 AromaticContact CE2-CD2 3.95Å; F44-Y108 HydrophobicContact CE2-CD2 3.95Å; F44-Y108 AromaticContact CG-CD2 3.49Å; F44-Y108 HydrophobicContact CG-CD2 3.49Å; F44-Y108 VanDerWaalsContact CG-CD2 3.49Å; F44-Y108 AromaticContact CG-CE2 3.8Å; F44-Y108 HydrophobicContact CG-CE2 3.8Å; F44-Y108 HydrophobicContact CG-CG 4.47Å; F44-Y108 AromaticContact CZ-CD2 3.9Å; F44-Y108 HydrophobicContact CZ-CD2 3.9Å; F44-Y108 HydrophobicContact CZ-CG 4.36Å; T48-Y108 HydrophobicContact CG2-CD1 3.24Å; T48-Y108 HydrophobicContact CG2-CD2 4.48Å; T48-Y108 HydrophobicContact CG2-CE1 3.86Å; T48-Y108 HydrophobicContact CG2-CG 3.62Å; C104-Y108 WeakPolarHBondContact O-CB 3.41Å; C104-Y108 PolarHBondContact O-N 3.09Å; R105-Y108 PolarHBondContact O-N 3.32Å; R105-Y108 VanDerWaalsContact O-N 3.17Å; H106-Y108 PolarHBondContact O-N 2.99Å; Y108-T113 WeakPolarHBondContact O-CB 3.43Å; Y108-T113 PolarHBondContact O-N 2.03Å; Y108-T113 PolarHBondContact O-OG1 3.08Å; Y108-L117 HydrophobicContact CD1-CD1 4.39Å; Y108-L117 HydrophobicContact CE1-CD1 3.7Å; Y108-L117 HydrophobicContact CE2-CD1 4.03Å; Y108-L117 VanDerWaalsContact CZ-CD1 3.49Å; Y108-L117 WeakPolarHBondContact OH-CD1 3.26Å
109	E	97.7	Very high	97.5	Very high	94 Å²	94	66.8 Å²	66.8	44%	0.439	34%	0.34	S	S	.	.	I	π-helix	trans	-75.6	-26.6	-173	-69.5	172.5	-175.2	0	0	112.6	T48 R105 T113	T48-E109 WeakPolarHBondContact CB-OE1 3.49Å; T48-E109 HydrophobicContact CG2-CG 3.79Å; T48-E109 WeakPolarHBondContact CG2-OE1 3.29Å; T48-E109 PolarHBondContact OG1-OE1 2.84Å; R105-E109 VanDerWaalsContact CG-CD 3.4Å; R105-E109 HydrophobicContact CG-CG 4.24Å; R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact NH1-OE1 3.65Å; R105-E109 WeakPolarHBondContact O-CB 3.33Å; R105-E109 PolarHBondContact O-N 2.98Å; E109-T113 WeakPolarHBondContact O-CB 3.09Å
110	G	97.1	Very high	97.5	Very high	22 Å²	22	70.9 Å²	70.9	23%	0.227	36%	0.359	C	S	.	.	I	π-helix	trans	-94.9	-100.5	172.6	0	0	0	0	0	111.9	H106 E112 T113 H114	H106-G110 PolarHBondContact O-N 2.73Å; G110-E112 PolarHBondContact O-N 2.71Å; G110-T113 PolarHBondContact O-N 2.97Å; G110-H114 PolarHBondContact O-CD2 3.02Å; G110-H114 PolarHBondContact O-N 3.24Å
111	P	97	Very high	97.5	Very high	62 Å²	62	73.1 Å²	73.1	40%	0.403	37%	0.369	S	S	.	.	I	π-helix	trans	-44.1	-54.5	-173.3	-29.8	30.6	0	0	0	115.4	N107 H114 T115	N107-P111 WeakPolarHBondContact O-CD 3.24Å; P111-H114 PolarHBondContact O-N 2.94Å; P111-T115 WeakPolarHBondContact O-CB 3.33Å; P111-T115 WeakPolarHBondContact O-CG2 3.28Å; P111-T115 PolarHBondContact O-N 2.91Å; P111-T115 PolarHBondContact O-OG1 2.93Å
112	E	97.6	Very high	97.5	Very high	71 Å²	71	75.5 Å²	75.5	33%	0.332	38%	0.377	S	S	.	.	I	π-helix	trans	-69.1	-40.3	-172.4	-60.6	-60.3	151.1	0	0	112.3	N107 G110 H114 T115 S116 L117	N107-E112 WeakPolarHBondContact O-CG 3.32Å; N107-E112 PolarHBondContact O-N 3Å; G110-E112 PolarHBondContact O-N 2.71Å; E112-H114 PolarHBondContact O-N 2.78Å; E112-T115 CarbonylContact O-C 3.51Å; E112-T115 PolarHBondContact O-N 2.96Å; E112-S116 PolarHBondContact O-N 2.86Å; E112-S116 WeakPolarHBondContact OE2-CB 3.43Å; E112-S116 PolarHBondContact OE2-OG 2.85Å; E112-L117 HydrophobicContact CB-CG 4.5Å; E112-L117 WeakPolarHBondContact O-CB 3.43Å; E112-L117 PolarHBondContact O-N 3.32Å
113	T	97.2	Very high	97.6	Very high	43 Å²	43	71.6 Å²	71.6	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-28.2	176.1	-68.6	0	0	0	0	112.5	Y108 E109 G110 R118	Y108-T113 WeakPolarHBondContact O-CB 3.43Å; Y108-T113 PolarHBondContact O-N 2.03Å; Y108-T113 PolarHBondContact O-OG1 3.08Å; E109-T113 WeakPolarHBondContact O-CB 3.09Å; G110-T113 PolarHBondContact O-N 2.97Å; T113-R118 WeakPolarHBondContact O-CD 3.36Å; T113-R118 VanDerWaalsContact O-CG 3.31Å; T113-R118 WeakPolarHBondContact O-CG 3.45Å; T113-R118 PolarHBondContact O-NE 3.17Å
114	H	95.2	Very high	97.6	Very high	117 Å²	117	72.8 Å²	72.8	54%	0.542	36%	0.358	S	S	.	.	H	α-helix	trans	-94.9	-10.7	177.8	-65.7	-65.2	0	0	0	114	G110 P111 E112	G110-H114 PolarHBondContact O-CD2 3.02Å; G110-H114 PolarHBondContact O-N 3.24Å; P111-H114 PolarHBondContact O-N 2.94Å; E112-H114 PolarHBondContact O-N 2.78Å
115	T	96	Very high	97.6	Very high	84 Å²	84	73.6 Å²	73.6	52%	0.515	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-89.7	-176.8	58.8	0	0	0	0	111.7	P111 E112 L117 R118 R119	P111-T115 WeakPolarHBondContact O-CB 3.33Å; P111-T115 WeakPolarHBondContact O-CG2 3.28Å; P111-T115 PolarHBondContact O-N 2.91Å; P111-T115 PolarHBondContact O-OG1 2.93Å; E112-T115 CarbonylContact O-C 3.51Å; E112-T115 PolarHBondContact O-N 2.96Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 3.27Å; T115-R118 PolarHBondContact O-N 2.62Å; T115-R119 PolarHBondContact O-N 3.08Å; T115-R119 VanDerWaalsContact O-N 3.17Å
116	S	96.3	Very high	97.5	Very high	15 Å²	15	73.8 Å²	73.8	11%	0.105	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-56.9	-39.7	-171.8	-53.1	0	0	0	0	114	E112 R118 R119	E112-S116 PolarHBondContact O-N 2.86Å; E112-S116 WeakPolarHBondContact OE2-CB 3.43Å; E112-S116 PolarHBondContact OE2-OG 2.85Å; S116-R118 VanDerWaalsContact C-N 3.29Å; S116-R118 PolarHBondContact O-N 2.84Å; S116-R119 PolarHBondContact O-N 3Å
117	L	96.6	Very high	97.4	Very high	93 Å²	93	69.3 Å²	69.3	49%	0.487	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-74.7	-19.2	-178.3	-64.1	-177.5	0	0	0	113.1	Y108 E112 T115	Y108-L117 HydrophobicContact CD1-CD1 4.39Å; Y108-L117 HydrophobicContact CE1-CD1 3.7Å; Y108-L117 HydrophobicContact CE2-CD1 4.03Å; Y108-L117 VanDerWaalsContact CZ-CD1 3.49Å; Y108-L117 WeakPolarHBondContact OH-CD1 3.26Å; E112-L117 HydrophobicContact CB-CG 4.5Å; E112-L117 WeakPolarHBondContact O-CB 3.43Å; E112-L117 PolarHBondContact O-N 3.32Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 3.27Å
118	R	96.8	Very high	97.1	Very high	158 Å²	158	68.5 Å²	68.5	60%	0.596	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-96.8	-9.5	176.5	-68.2	179.8	-174.8	-151.3	-4.3	113.1	T113 T115 S116 L120	T113-R118 WeakPolarHBondContact O-CD 3.36Å; T113-R118 VanDerWaalsContact O-CG 3.31Å; T113-R118 WeakPolarHBondContact O-CG 3.45Å; T113-R118 PolarHBondContact O-NE 3.17Å; T115-R118 PolarHBondContact O-N 2.62Å; S116-R118 VanDerWaalsContact C-N 3.29Å; S116-R118 PolarHBondContact O-N 2.84Å; R118-L120 PolarHBondContact O-N 3.16Å
119	R	97.8	Very high	96.7	Very high	75 Å²	75	68.3 Å²	68.3	28%	0.283	35%	0.353	S	S	.	.			trans	-63.2	120.6	179.7	-175.9	173.6	179.3	67.2	0.2	109.4	T115 S116 E121 Y149 W179	T115-R119 PolarHBondContact O-N 3.08Å; T115-R119 VanDerWaalsContact O-N 3.17Å; S116-R119 PolarHBondContact O-N 3Å; R119-E121 HydrophobicContact CG-CG 4.32Å; R119-E121 IonicContact CZ-OE1 3.62Å; R119-E121 IonicContact NH1-OE1 3.61Å; R119-E121 PolarHBondContact NH1-OE1 3.24Å; R119-E121 IonicContact NH2-OE1 3.99Å; R119-E121 PolarHBondContact NH2-OE1 2.71Å; R119-Y149 HydrophobicContact CB-CD1 3.77Å; R119-Y149 HydrophobicContact CB-CE1 3.79Å; R119-Y149 HydrophobicContact CG-CD1 3.57Å; R119-Y149 HydrophobicContact CG-CE1 4.02Å; R119-Y149 HydrophobicContact CG-CG 4.1Å; R119-Y149 WeakPolarHBondContact O-CD1 3.44Å; R119-W179 PolarHBondContact NE-O 3.17Å
120	L	98.3	Very high	95.9	Very high	97 Å²	97	67 Å²	67	51%	0.508	35%	0.354	S	S	.	.			trans	-137	106.2	178.2	-73.5	177.1	0	0	0	107.5	R118 Y149 P204	R118-L120 PolarHBondContact O-N 3.16Å; L120-Y149 WeakPolarHBondContact CA-O 3.2Å; L120-P204 HydrophobicContact CD2-CB 4.42Å
121	E	98.3	Very high	94.7	Very high	70 Å²	70	75.2 Å²	75.2	33%	0.327	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-108	133.9	175	-55.7	-61.4	164.3	0	0	108.5	R119 D147 Y149 H203 S205	R119-E121 HydrophobicContact CG-CG 4.32Å; R119-E121 IonicContact CZ-OE1 3.62Å; R119-E121 IonicContact NH1-OE1 3.61Å; R119-E121 PolarHBondContact NH1-OE1 3.24Å; R119-E121 IonicContact NH2-OE1 3.99Å; R119-E121 PolarHBondContact NH2-OE1 2.71Å; E121-D147 WeakPolarHBondContact CB-O 3.23Å; E121-Y149 PolarHBondContact N-O 3.38Å; E121-Y149 PolarHBondContact O-N 2.91Å; E121-H203 PolarHBondContact O-CE1 2.97Å; E121-S205 PolarHBondContact O-OG 2.86Å
122	Q	98.4	Very high	93	Very high	130 Å²	130	78.4 Å²	78.4	61%	0.607	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-83.5	136.6	-178.7	-68.7	179.7	40.9	0	0	110.3	S205 L206	Q122-S205 WeakPolarHBondContact CA-OG 3.04Å; Q122-S205 WeakPolarHBondContact CG-OG 3.38Å; Q122-L206 HydrophobicContact CB-CD2 4.19Å; Q122-L206 HydrophobicContact CG-CD2 3.95Å
123	P	98.6	Very high	91.3	Very high	9 Å²	9	77.2 Å²	77.2	6%	0.058	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-66.1	139.3	178	23.6	-30.9	0	0	0	112	V125 V145 T146 F148 V201 H203 L206 I210	P123-V125 HydrophobicContact CB-CG2 4.36Å; P123-V145 HydrophobicContact CB-CG1 3.55Å; P123-T146 WeakPolarHBondContact CA-O 3.33Å; P123-F148 HydrophobicContact CB-CB 3.81Å; P123-F148 HydrophobicContact CB-CD1 4.26Å; P123-F148 HydrophobicContact CB-CG 4.34Å; P123-F148 HydrophobicContact CG-CB 4.43Å; P123-V201 HydrophobicContact CG-CG1 4Å; P123-H203 HydrophobicContact CG-CB 4.15Å; P123-L206 HydrophobicContact CG-CD1 3.96Å; P123-L206 HydrophobicContact CG-CG 4.5Å; P123-I210 HydrophobicContact CG-CD1 4.29Å
124	N	98.3	Very high	89.6	Confident	87 Å²	87	76.7 Å²	76.7	47%	0.465	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.8	159.6	-168.8	-34.7	0	0	0	108.7	V145 T146	N124-V145 CarbonylContact O-C 3.52Å; N124-V145 VanDerWaalsContact O-CA 3.3Å; N124-V145 WeakPolarHBondContact O-CA 3.46Å; N124-T146 PolarHBondContact N-O 3.43Å; N124-T146 PolarHBondContact O-N 2.7Å
125	V	98.5	Very high	88.1	Confident	17 Å²	17	73.6 Å²	73.6	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119	-174.7	-173.7	0	0	0	0	109.5	P123 S144 V145 V201 I210 V212	P123-V125 HydrophobicContact CB-CG2 4.36Å; V125-S144 WeakPolarHBondContact CA-O 3.42Å; V125-V145 HydrophobicContact CG1-CG2 4.44Å; V125-V145 HydrophobicContact CG2-CG1 4.32Å; V125-V145 HydrophobicContact CG2-CG2 4.48Å; V125-V201 HydrophobicContact CG1-CG2 4.01Å; V125-V201 HydrophobicContact CG2-CB 4.2Å; V125-V201 HydrophobicContact CG2-CG1 4.45Å; V125-V201 HydrophobicContact CG2-CG2 3.76Å; V125-I210 HydrophobicContact CB-CG2 4.11Å; V125-I210 HydrophobicContact CG2-CB 4.44Å; V125-I210 HydrophobicContact CG2-CD1 4.35Å; V125-I210 HydrophobicContact CG2-CG2 3.88Å; V125-V212 HydrophobicContact CB-CG2 3.84Å; V125-V212 HydrophobicContact CG1-CB 4.22Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å
126	V	97.4	Very high	86.8	Confident	76 Å²	76	75.2 Å²	75.2	46%	0.461	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.7	178.4	-179	0	0	0	0	109.6	S144	V126-S144 PolarHBondContact N-O 3.32Å; V126-S144 PolarHBondContact O-N 3.17Å
127	I	96.1	Very high	85.8	Confident	22 Å²	22	80.5 Å²	80.5	11%	0.113	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129	171	-60	173.6	0	0	0	109.2	L141 V142 W157 C199 V212 W214	I127-L141 HydrophobicContact CG2-CD2 4.09Å; I127-V142 WeakPolarHBondContact CA-O 3.4Å; I127-W157 HydrophobicContact CD1-CH2 3.89Å; I127-W157 HydrophobicContact CD1-CZ3 3.9Å; I127-W157 HydrophobicContact CG1-CH2 3.98Å; I127-W157 HydrophobicContact CG1-CZ3 4.49Å; I127-W157 HydrophobicContact CG2-CH2 3.83Å; I127-C199 HydrophobicContact CD1-CB 3.74Å; I127-C199 HydrophobicContact CG1-CB 3.98Å; I127-V212 HydrophobicContact CD1-CB 4.06Å; I127-V212 HydrophobicContact CD1-CG1 3.89Å; I127-V212 WeakPolarHBondContact CD1-O 3.34Å; I127-V212 HydrophobicContact CG1-CB 4.36Å; I127-V212 HydrophobicContact CG1-CG1 4.02Å; I127-W214 HydrophobicContact CB-CB 4.24Å; I127-W214 HydrophobicContact CD1-CB 4Å; I127-W214 HydrophobicContact CG2-CB 3.69Å; I127-W214 HydrophobicContact CG2-CG 3.9Å
128	S	92.3	Very high	85	Confident	51 Å²	51	81.6 Å²	81.6	36%	0.357	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.9	174.3	62.9	0	0	0	0	111.6	L141 V142	S128-L141 WeakPolarHBondContact O-CA 3.39Å; S128-V142 PolarHBondContact N-O 3.17Å; S128-V142 PolarHBondContact O-N 2.91Å
129	L	89.5	Confident	84.5	Confident	41 Å²	41	74.4 Å²	74.4	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.1	167.2	-81.6	150.5	0	0	0	109.2	R131 E133 N139 L141 W214	L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 WeakPolarHBondContact CB-O 3.45Å; L129-R131 PolarHBondContact O-N 3.22Å; L129-E133 HydrophobicContact CD1-CB 3.82Å; L129-E133 HydrophobicContact CD1-CG 4.04Å; L129-N139 HydrophobicContact CD2-CB 4.07Å; L129-L141 HydrophobicContact CD2-CD2 3.93Å; L129-L141 HydrophobicContact CG-CD2 3.94Å; L129-W214 HydrophobicContact CD1-CZ2 3.61Å; L129-W214 HydrophobicContact CD2-CZ2 4.24Å; L129-W214 HydrophobicContact CG-CZ2 4.02Å
130	S	80.6	Confident	84.2	Confident	66 Å²	66	72.2 Å²	72.2	46%	0.462	38%	0.377	S	S	.	.	S	Bend	trans	-68.2	-24	174.1	59.6	0	0	0	0	114	T140	S130-T140 PolarHBondContact N-O 3.3Å; S130-T140 WeakPolarHBondContact OG-CB 3.33Å; S130-T140 PolarHBondContact OG-O 3.18Å; S130-T140 VanDerWaalsContact OG-O 3.14Å
131	R	71.4	Confident	84	Confident	196 Å²	196	67.6 Å²	67.6	74%	0.74	35%	0.353	S	S	*	.	S	Bend	trans	-138.6	169.9	-179.9	-68.6	-171.1	-170.3	-172.1	4.1	111.2	L129 E133	L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 WeakPolarHBondContact CB-O 3.45Å; L129-R131 PolarHBondContact O-N 3.22Å; R131-E133 PolarHBondContact O-N 3.09Å
132	T	62.8	Low	83.9	Confident	128 Å²	128	65.3 Å²	65.3	79%	0.785	34%	0.344	S	S	*	.			trans	-53.7	133.4	173.5	-48.5	0	0	0	0	110.9	A134	T132-A134 PolarHBondContact O-N 2.94Å
133	E	60.8	Low	83.9	Confident	46 Å²	46	59.1 Å²	59.1	22%	0.215	32%	0.315	C	S	.	.			trans	-61.4	117.9	-176.2	-170.3	172.2	-160.2	0	0	111.5	L129 R131 Q217	L129-E133 HydrophobicContact CD1-CB 3.82Å; L129-E133 HydrophobicContact CD1-CG 4.04Å; R131-E133 PolarHBondContact O-N 3.09Å; E133-Q217 PolarHBondContact OE1-N 3.23Å
134	A	61.9	Low	83.9	Confident	33 Å²	33	60.1 Å²	60.1	27%	0.273	32%	0.322	S	S	.	.			trans	-133.2	113.8	174.4	0	0	0	0	0	109.2	T132 H137 N139	T132-A134 PolarHBondContact O-N 2.94Å; A134-H137 HydrophobicContact CB-CB 4.03Å; A134-H137 PolarHBondContact O-N 3.11Å; A134-N139 PolarHBondContact O-ND2 2.87Å
135	L	64.2	Low	83.9	Confident	52 Å²	52	56 Å²	56	27%	0.272	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	144.2	178.7	-70	175.5	0	0	0	110.7	H137 P191 A216	L135-H137 PolarHBondContact O-CD2 2.99Å; L135-H137 PolarHBondContact O-N 2.84Å; L135-H137 VanDerWaalsContact O-N 3.13Å; L135-P191 HydrophobicContact CD2-CB 4.44Å; L135-A216 HydrophobicContact CD2-CB 4.08Å
136	N	67.4	Low	83.9	Confident	118 Å²	118	56.5 Å²	56.5	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	13.6	-179	-53.4	-44.4	0	0	0	115.6	T190 P191	N136-T190 VanDerWaalsContact C-CG2 3.45Å; N136-P191 PolarHBondContact N-O 3.29Å
137	H	75.1	Confident	83.9	Confident	125 Å²	125	56.4 Å²	56.4	58%	0.579	30%	0.3	S	S	*	.	S	Bend	trans	-108.9	153.2	169	-73.6	-80.4	0	0	0	111.3	A134 L135 N139 P191	A134-H137 HydrophobicContact CB-CB 4.03Å; A134-H137 PolarHBondContact O-N 3.11Å; L135-H137 PolarHBondContact O-CD2 2.99Å; L135-H137 PolarHBondContact O-N 2.84Å; L135-H137 VanDerWaalsContact O-N 3.13Å; H137-N139 PolarHBondContact O-N 3.17Å; H137-N139 PolarHBondContact O-ND2 2.93Å; H137-P191 VanDerWaalsContact O-CD 3.25Å; H137-P191 WeakPolarHBondContact O-CD 3.5Å
138	H	80.4	Confident	84.1	Confident	117 Å²	117	55.4 Å²	55.4	54%	0.542	30%	0.295	S	S	.	.			trans	-61.6	124	175.2	-169.1	-77.2	0	0	0	110.1
139	N	86	Confident	84.4	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.3	178.2	-79	-58.1	0	0	0	109.4	L129 A134 H137 M189	L129-N139 HydrophobicContact CD2-CB 4.07Å; A134-N139 PolarHBondContact O-ND2 2.87Å; H137-N139 PolarHBondContact O-N 3.17Å; H137-N139 PolarHBondContact O-ND2 2.93Å; N139-M189 HydrophobicContact CB-SD 4.33Å; N139-M189 PolarHBondContact N-O 3.02Å; N139-M189 PolarHBondContact O-N 3.44Å
140	T	91.9	Very high	84.8	Confident	29 Å²	29	54.8 Å²	54.8	18%	0.178	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.5	176.9	-50.4	0	0	0	0	108	S130 M186 L187	S130-T140 PolarHBondContact N-O 3.3Å; S130-T140 WeakPolarHBondContact OG-CB 3.33Å; S130-T140 PolarHBondContact OG-O 3.18Å; S130-T140 VanDerWaalsContact OG-O 3.14Å; T140-M186 HydrophobicContact CG2-CB 3.93Å; T140-L187 VanDerWaalsContact CA-O 3.29Å; T140-L187 WeakPolarHBondContact CA-O 3.05Å
141	L	94.5	Very high	85.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.1	169.1	-70.9	175.9	0	0	0	109.1	I127 S128 L129 W157 M186 L187 M189 Y197 W214	I127-L141 HydrophobicContact CG2-CD2 4.09Å; S128-L141 WeakPolarHBondContact O-CA 3.39Å; L129-L141 HydrophobicContact CD2-CD2 3.93Å; L129-L141 HydrophobicContact CG-CD2 3.94Å; L141-W157 HydrophobicContact CB-CH2 3.79Å; L141-W157 HydrophobicContact CB-CZ2 3.96Å; L141-W157 HydrophobicContact CD1-CH2 4.24Å; L141-W157 HydrophobicContact CD1-CZ3 4.27Å; L141-M186 CarbonylContact O-C 3.57Å; L141-M186 VanDerWaalsContact O-CA 3.26Å; L141-M186 WeakPolarHBondContact O-CA 3.35Å; L141-L187 PolarHBondContact N-O 3.49Å; L141-L187 PolarHBondContact O-N 3.33Å; L141-M189 HydrophobicContact CD1-CE 3.79Å; L141-M189 HydrophobicContact CD1-CG 4.38Å; L141-M189 HydrophobicContact CG-CE 4.24Å; L141-M189 HydrophobicContact CG-CG 4.27Å; L141-Y197 HydrophobicContact CD1-CD1 3.98Å; L141-Y197 HydrophobicContact CD1-CD2 4.16Å; L141-Y197 HydrophobicContact CD1-CG 3.65Å; L141-W214 HydrophobicContact CD1-CD2 4.17Å; L141-W214 HydrophobicContact CD1-CE3 3.69Å; L141-W214 HydrophobicContact CD1-CZ3 4.18Å; L141-W214 HydrophobicContact CD2-CD2 3.62Å; L141-W214 HydrophobicContact CD2-CE3 3.86Å; L141-W214 HydrophobicContact CD2-CG 4.05Å; L141-W214 HydrophobicContact CD2-CH2 4.4Å; L141-W214 HydrophobicContact CD2-CZ2 4.23Å; L141-W214 HydrophobicContact CD2-CZ3 4.23Å; L141-W214 HydrophobicContact CG-CE3 4.38Å
142	V	96.4	Very high	86.9	Confident	22 Å²	22	52.1 Å²	52.1	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.2	177.9	-172	0	0	0	0	107.8	I127 S128 L184 M186	I127-V142 WeakPolarHBondContact CA-O 3.4Å; S128-V142 PolarHBondContact N-O 3.17Å; S128-V142 PolarHBondContact O-N 2.91Å; V142-L184 HydrophobicContact CG1-CB 4.35Å; V142-M186 HydrophobicContact CG1-CG 4.32Å; V142-M186 HydrophobicContact CG2-CG 4.2Å
143	C	97.8	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	105.4	167	-176.1	0	0	0	0	107.8	W157 V185 C199	C143-W157 HydrophobicContact CB-CH2 4.06Å; C143-W157 HydrophobicContact CB-CZ2 3.48Å; C143-W157 VanDerWaalsContact CB-CZ2 3.48Å; C143-V185 PolarHBondContact N-O 2.83Å; C143-V185 PolarHBondContact O-N 2.9Å; C143-C199 HydrophobicContact CB-CB 3.7Å; C143-C199 WeakPolarHBondContact CB-SG 3.38Å; C143-C199 WeakPolarHBondContact SG-CB 3.44Å; C143-C199 CovalentContact SG-SG 2.03Å; C143-C199 PolarHBondContact SG-SG 2.95Å
144	S	98.2	Very high	90.4	Very high	30 Å²	30	50.6 Å²	50.6	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.1	174.9	-61.4	0	0	0	0	108.7	V125 V126	V125-S144 WeakPolarHBondContact CA-O 3.42Å; V126-S144 PolarHBondContact N-O 3.32Å; V126-S144 PolarHBondContact O-N 3.17Å
145	V	98.6	Very high	92.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	107.9	177.2	-172.1	0	0	0	0	107.8	P123 N124 V125 F148 I153 V155 Q182 V183 V201	P123-V145 HydrophobicContact CB-CG1 3.55Å; N124-V145 CarbonylContact O-C 3.52Å; N124-V145 VanDerWaalsContact O-CA 3.3Å; N124-V145 WeakPolarHBondContact O-CA 3.46Å; V125-V145 HydrophobicContact CG1-CG2 4.44Å; V125-V145 HydrophobicContact CG2-CG1 4.32Å; V125-V145 HydrophobicContact CG2-CG2 4.48Å; V145-F148 HydrophobicContact CG1-CD1 3.99Å; V145-F148 HydrophobicContact CG1-CE1 4.05Å; V145-F148 WeakPolarHBondContact O-CE1 3.45Å; V145-I153 HydrophobicContact CG1-CD1 3.54Å; V145-V155 HydrophobicContact CG2-CG1 4.18Å; V145-V155 HydrophobicContact CG2-CG2 3.99Å; V145-Q182 CarbonylContact O-C 3.57Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.48Å; V145-V183 HydrophobicContact CB-CG1 3.9Å; V145-V183 HydrophobicContact CG1-CG1 4.48Å; V145-V183 PolarHBondContact N-O 3.01Å; V145-V183 PolarHBondContact O-N 3.38Å; V145-V201 HydrophobicContact CG1-CG1 4.08Å; V145-V201 HydrophobicContact CG1-CG2 4.48Å; V145-V201 HydrophobicContact CG2-CG2 3.87Å
146	T	98.5	Very high	93.7	Very high	28 Å²	28	50.1 Å²	50.1	17%	0.172	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	166.6	-169.2	65.7	0	0	0	0	112.4	P123 N124 F148 Q182	P123-T146 WeakPolarHBondContact CA-O 3.33Å; N124-T146 PolarHBondContact N-O 3.43Å; N124-T146 PolarHBondContact O-N 2.7Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 2.77Å; T146-Q182 HydrophobicContact CG2-CB 4.1Å
147	D	98.3	Very high	95.2	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	26.3	165.9	-45.4	-48.2	0	0	0	115.1	E121 F181	E121-D147 WeakPolarHBondContact CB-O 3.23Å; D147-F181 PolarHBondContact N-O 3.39Å; D147-F181 VanDerWaalsContact N-O 3.11Å
148	F	98.6	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.6	-178	66.8	-90.9	0	0	0	113.6	P123 V145 T146 I153 L173 F181 V183 H203	P123-F148 HydrophobicContact CB-CB 3.81Å; P123-F148 HydrophobicContact CB-CD1 4.26Å; P123-F148 HydrophobicContact CB-CG 4.34Å; P123-F148 HydrophobicContact CG-CB 4.43Å; V145-F148 HydrophobicContact CG1-CD1 3.99Å; V145-F148 HydrophobicContact CG1-CE1 4.05Å; V145-F148 WeakPolarHBondContact O-CE1 3.45Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 2.77Å; F148-I153 HydrophobicContact CD1-CD1 3.79Å; F148-I153 HydrophobicContact CD2-CB 4.39Å; F148-I153 HydrophobicContact CD2-CD1 3.81Å; F148-I153 HydrophobicContact CE1-CD1 3.64Å; F148-I153 HydrophobicContact CE2-CB 3.81Å; F148-I153 HydrophobicContact CE2-CD1 3.67Å; F148-I153 HydrophobicContact CE2-CG1 4.35Å; F148-I153 HydrophobicContact CE2-CG2 3.79Å; F148-I153 HydrophobicContact CG-CD1 3.88Å; F148-I153 HydrophobicContact CZ-CB 4.17Å; F148-I153 HydrophobicContact CZ-CD1 3.58Å; F148-I153 HydrophobicContact CZ-CG1 4.48Å; F148-I153 HydrophobicContact CZ-CG2 3.77Å; F148-L173 HydrophobicContact CE2-CD1 3.93Å; F148-L173 HydrophobicContact CZ-CD1 3.62Å; F148-F181 VanDerWaalsContact CD1-O 3.26Å; F148-F181 WeakPolarHBondContact CD1-O 3.45Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.25Å; F148-F181 WeakPolarHBondContact CE1-O 3.32Å; F148-F181 HydrophobicContact CE2-CB 3.7Å; F148-F181 HydrophobicContact CZ-CB 3.75Å; F148-F181 PolarHBondContact N-O 2.7Å; F148-F181 PolarHBondContact O-N 2.86Å; F148-V183 HydrophobicContact CE1-CG1 4.02Å; F148-V183 HydrophobicContact CZ-CG1 4.06Å; F148-H203 AromaticContact CD2-CD2 3.82Å; F148-H203 AromaticContact CD2-NE2 3.74Å
149	Y	98.5	Very high	97	Very high	41 Å²	41	38 Å²	38	16%	0.161	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-157.2	137	172.8	-171.8	-81.4	0	0	0	109.5	R119 L120 E121 W179 F181 H203	R119-Y149 HydrophobicContact CB-CD1 3.77Å; R119-Y149 HydrophobicContact CB-CE1 3.79Å; R119-Y149 HydrophobicContact CG-CD1 3.57Å; R119-Y149 HydrophobicContact CG-CE1 4.02Å; R119-Y149 HydrophobicContact CG-CG 4.1Å; R119-Y149 WeakPolarHBondContact O-CD1 3.44Å; L120-Y149 WeakPolarHBondContact CA-O 3.2Å; E121-Y149 PolarHBondContact N-O 3.38Å; E121-Y149 PolarHBondContact O-N 2.91Å; Y149-W179 WeakPolarHBondContact CD2-O 3.48Å; Y149-W179 HydrophobicContact CE2-CE3 4.31Å; Y149-F181 AromaticContact CD2-CD2 3.96Å; Y149-F181 HydrophobicContact CD2-CD2 3.96Å; Y149-F181 AromaticContact CD2-CE2 3.49Å; Y149-F181 HydrophobicContact CD2-CE2 3.49Å; Y149-F181 VanDerWaalsContact CD2-CE2 3.49Å; Y149-F181 AromaticContact CE2-CE2 3.74Å; Y149-F181 HydrophobicContact CE2-CE2 3.74Å; Y149-F181 HydrophobicContact CE2-CZ 4.45Å; Y149-F181 HydrophobicContact CG-CE2 4.47Å; Y149-H203 VanDerWaalsContact C-CE1 3.5Å; Y149-H203 PolarHBondContact O-CE1 2.85Å
150	P	98.4	Very high	97.3	Very high	39 Å²	39	42.1 Å²	42.1	25%	0.253	21%	0.213	S	C	.	.	S	Bend	cis	-81.4	-178.2	9.1	34.5	-39.2	0	0	0	114.2	K152 H203 P204	P150-K152 PolarHBondContact O-N 3.05Å; P150-K152 VanDerWaalsContact O-N 3.16Å; P150-H203 PolarHBondContact O-NE2 2.86Å; P150-H203 VanDerWaalsContact O-NE2 3.08Å; P150-P204 HydrophobicContact CG-CG 4.33Å
151	A	98.1	Very high	97.4	Very high	42 Å²	42	43.7 Å²	43.7	35%	0.347	24%	0.235	S	C	.	.	S	Bend	trans	-58.3	-26.4	-178.1	0	0	0	0	0	115.3	I153 L173 F181	A151-I153 PolarHBondContact O-N 2.93Å; A151-I153 VanDerWaalsContact O-N 3.17Å; A151-L173 HydrophobicContact CB-CD2 3.42Å; A151-L173 VanDerWaalsContact CB-CD2 3.42Å; A151-F181 HydrophobicContact CB-CD2 4.24Å; A151-F181 HydrophobicContact CB-CE1 4.41Å; A151-F181 HydrophobicContact CB-CE2 3.83Å; A151-F181 HydrophobicContact CB-CZ 3.92Å
152	K	98.1	Very high	97.4	Very high	164 Å²	164	51.1 Å²	51.1	71%	0.713	27%	0.269	S	S	*	.			trans	-69.6	112.6	-176.4	-177	-178.1	-179.6	-178	0	109.7	P150 H203 P204	P150-K152 PolarHBondContact O-N 3.05Å; P150-K152 VanDerWaalsContact O-N 3.16Å; K152-H203 PolarHBondContact O-CD2 3.07Å; K152-H203 VanDerWaalsContact O-CD2 3.24Å; K152-P204 HydrophobicContact CB-CG 4.38Å; K152-P204 HydrophobicContact CD-CG 4.45Å; K152-P204 WeakPolarHBondContact O-CD 3.49Å
153	I	98.4	Very high	97.5	Very high	40 Å²	40	54.7 Å²	54.7	21%	0.205	29%	0.285	C	S	.	.			trans	-143.2	153.3	178.5	-164.6	161.5	0	0	0	110.4	V145 F148 A151 V155 V183 V201 H203	V145-I153 HydrophobicContact CG1-CD1 3.54Å; F148-I153 HydrophobicContact CD1-CD1 3.79Å; F148-I153 HydrophobicContact CD2-CB 4.39Å; F148-I153 HydrophobicContact CD2-CD1 3.81Å; F148-I153 HydrophobicContact CE1-CD1 3.64Å; F148-I153 HydrophobicContact CE2-CB 3.81Å; F148-I153 HydrophobicContact CE2-CD1 3.67Å; F148-I153 HydrophobicContact CE2-CG1 4.35Å; F148-I153 HydrophobicContact CE2-CG2 3.79Å; F148-I153 HydrophobicContact CG-CD1 3.88Å; F148-I153 HydrophobicContact CZ-CB 4.17Å; F148-I153 HydrophobicContact CZ-CD1 3.58Å; F148-I153 HydrophobicContact CZ-CG1 4.48Å; F148-I153 HydrophobicContact CZ-CG2 3.77Å; A151-I153 PolarHBondContact O-N 2.93Å; A151-I153 VanDerWaalsContact O-N 3.17Å; I153-V155 HydrophobicContact CD1-CG2 4.23Å; I153-V155 HydrophobicContact CG1-CG2 4.06Å; I153-V183 HydrophobicContact CG2-CG1 4.29Å; I153-V201 HydrophobicContact CD1-CG1 3.99Å; I153-V201 HydrophobicContact CG1-CG1 4.21Å; I153-H203 HydrophobicContact CG1-CB 4.34Å
154	K	98.4	Very high	97.4	Very high	101 Å²	101	57 Å²	57	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.2	171.6	-178.5	-174.1	177.5	-162	0	109	E202	K154-E202 HydrophobicContact CB-CB 4.25Å; K154-E202 PolarHBondContact N-O 3.46Å; K154-E202 IonicContact NZ-OE1 2.77Å; K154-E202 PolarHBondContact NZ-OE1 3.19Å; K154-E202 IonicContact NZ-OE2 3.51Å; K154-E202 PolarHBondContact O-N 3.28Å
155	V	98.5	Very high	97.4	Very high	29 Å²	29	60.3 Å²	60.3	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.9	-177.7	-176.1	0	0	0	0	108.3	V145 I153 V183 V185 H200 V201	V145-V155 HydrophobicContact CG2-CG1 4.18Å; V145-V155 HydrophobicContact CG2-CG2 3.99Å; I153-V155 HydrophobicContact CD1-CG2 4.23Å; I153-V155 HydrophobicContact CG1-CG2 4.06Å; V155-V183 HydrophobicContact CG2-CG1 4.08Å; V155-V185 HydrophobicContact CB-CG2 3.73Å; V155-V185 HydrophobicContact CG1-CB 4.01Å; V155-V185 HydrophobicContact CG1-CG2 3.47Å; V155-V185 VanDerWaalsContact CG1-CG2 3.47Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; V155-H200 CarbonylContact C-O 3.56Å; V155-H200 WeakPolarHBondContact CA-O 3.37Å; V155-V201 HydrophobicContact CG1-CG2 4.17Å; V155-V201 HydrophobicContact CG2-CG1 4.38Å; V155-V201 HydrophobicContact CG2-CG2 4.26Å
156	R	98.3	Very high	97.2	Very high	47 Å²	47	65.6 Å²	65.6	18%	0.177	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.6	-176.9	-67	-176.9	-77.1	158.7	2.2	110.9	F158 E163 H200 E202	R156-F158 HydrophobicContact CB-CD2 4.39Å; R156-F158 HydrophobicContact CB-CE2 3.8Å; R156-E163 VanDerWaalsContact CD-CD 3.48Å; R156-E163 WeakPolarHBondContact CD-OE1 3.15Å; R156-E163 WeakPolarHBondContact CD-OE2 3.34Å; R156-E163 IonicContact CZ-OE2 2.72Å; R156-E163 IonicContact NH1-OE2 2.69Å; R156-E163 PolarHBondContact NH1-OE2 2.82Å; R156-H200 HydrophobicContact CB-CB 4.38Å; R156-H200 PolarHBondContact N-O 3.25Å; R156-H200 PolarHBondContact NH2-NE2 3.49Å; R156-H200 PolarHBondContact O-N 2.9Å; R156-E202 IonicContact CZ-OE1 3.42Å; R156-E202 IonicContact NE-OE1 3.49Å; R156-E202 IonicContact NH2-OE1 3.93Å; R156-E202 PolarHBondContact NH2-OE1 2.63Å
157	W	98.3	Very high	96.9	Very high	1 Å²	1	65.6 Å²	65.6	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	143.5	170.4	-83.4	109.1	0	0	0	110.6	I127 L141 C143 E164 V168 V185 L187 C199	I127-W157 HydrophobicContact CD1-CH2 3.89Å; I127-W157 HydrophobicContact CD1-CZ3 3.9Å; I127-W157 HydrophobicContact CG1-CH2 3.98Å; I127-W157 HydrophobicContact CG1-CZ3 4.49Å; I127-W157 HydrophobicContact CG2-CH2 3.83Å; L141-W157 HydrophobicContact CB-CH2 3.79Å; L141-W157 HydrophobicContact CB-CZ2 3.96Å; L141-W157 HydrophobicContact CD1-CH2 4.24Å; L141-W157 HydrophobicContact CD1-CZ3 4.27Å; C143-W157 HydrophobicContact CB-CH2 4.06Å; C143-W157 HydrophobicContact CB-CZ2 3.48Å; C143-W157 VanDerWaalsContact CB-CZ2 3.48Å; W157-E164 HydrophobicContact CB-CB 4.34Å; W157-E164 PolarHBondContact O-N 3.28Å; W157-V168 HydrophobicContact CB-CG2 4.16Å; W157-V168 HydrophobicContact CG-CG2 4.42Å; W157-V185 PolarHBondContact NE1-O 2.88Å; W157-L187 HydrophobicContact CB-CD2 4.28Å; W157-L187 HydrophobicContact CD2-CB 4.05Å; W157-L187 HydrophobicContact CD2-CD2 4.02Å; W157-L187 HydrophobicContact CE3-CD2 4.12Å; W157-L187 HydrophobicContact CG-CB 4.03Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.42Å; W157-C199 HydrophobicContact CE3-CB 4.43Å; W157-C199 HydrophobicContact CH2-CB 4.3Å; W157-C199 HydrophobicContact CZ3-CB 4.17Å
158	F	97.6	Very high	96.9	Very high	35 Å²	35	64.5 Å²	64.5	15%	0.154	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.8	171.1	-71.3	-104.6	0	0	0	109.6	R156 Q162 E163 Y197 T198 H200	R156-F158 HydrophobicContact CB-CD2 4.39Å; R156-F158 HydrophobicContact CB-CE2 3.8Å; F158-Q162 CarbonylContact C-O 3.47Å; F158-Q162 WeakPolarHBondContact CA-O 3.44Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.75Å; F158-E163 HydrophobicContact CE1-CG 4.42Å; F158-E163 HydrophobicContact CE2-CG 4.5Å; F158-E163 HydrophobicContact CZ-CB 4.03Å; F158-E163 HydrophobicContact CZ-CG 4.22Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 WeakPolarHBondContact O-CA 3.44Å; F158-T198 PolarHBondContact N-O 2.9Å; F158-T198 PolarHBondContact O-N 3.5Å; F158-H200 HydrophobicContact CD2-CB 3.82Å; F158-H200 HydrophobicContact CE2-CB 3.62Å; F158-H200 AromaticContact CE2-CG 3.95Å; F158-H200 AromaticContact CE2-ND1 3.87Å
159	R	95.3	Very high	96.8	Very high	70 Å²	70	67 Å²	67	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.9	172.5	-177.5	-178.3	-178.2	177.2	3.8	108.6	G161 Q162 E164 E195 Y197	R159-G161 PolarHBondContact O-N 2.83Å; R159-G161 VanDerWaalsContact O-N 3.11Å; R159-Q162 PolarHBondContact N-O 3.26Å; R159-Q162 PolarHBondContact O-N 3.4Å; R159-E164 HydrophobicContact CB-CB 4.44Å; R159-E164 IonicContact NH1-OE2 3.94Å; R159-E195 IonicContact CZ-OE1 3.49Å; R159-E195 IonicContact NE-OE1 3.47Å; R159-E195 PolarHBondContact NE-OE1 3.01Å; R159-E195 IonicContact NE-OE2 3.95Å; R159-E195 IonicContact NH2-OE1 2.69Å; R159-E195 PolarHBondContact NH2-OE1 3.21Å; R159-E195 IonicContact NH2-OE2 3.52Å; R159-Y197 HydrophobicContact CB-CD1 4.31Å; R159-Y197 HydrophobicContact CB-CE1 4.18Å; R159-Y197 HydrophobicContact CG-CD1 4.25Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 3.11Å
160	N	93.5	Very high	96.7	Very high	93 Å²	93	68.3 Å²	68.3	50%	0.497	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	36.8	-177.3	-57	-33.3	0	0	0	113.2	E195 V196	N160-E195 WeakPolarHBondContact OD1-CA 3.43Å; N160-V196 PolarHBondContact N-O 2.62Å; N160-V196 PolarHBondContact OD1-N 2.87Å
161	G	92.6	Very high	96.5	Very high	61 Å²	61	68.6 Å²	68.6	63%	0.629	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-4.2	179.7	0	0	0	0	0	116	R159	R159-G161 PolarHBondContact O-N 2.83Å; R159-G161 VanDerWaalsContact O-N 3.11Å
162	Q	96.1	Very high	96.4	Very high	156 Å²	156	75.1 Å²	75.1	73%	0.729	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.6	173.7	-65.8	-173.1	-12.9	0	0	110.9	F158 R159 E164	F158-Q162 CarbonylContact C-O 3.47Å; F158-Q162 WeakPolarHBondContact CA-O 3.44Å; R159-Q162 PolarHBondContact N-O 3.26Å; R159-Q162 PolarHBondContact O-N 3.4Å; Q162-E164 PolarHBondContact O-N 2.95Å
163	E	97.4	Very high	96.3	Very high	98 Å²	98	70.8 Å²	70.8	46%	0.458	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125	179.4	-171.6	165.8	162.3	0	0	110	R156 F158 T165	R156-E163 VanDerWaalsContact CD-CD 3.48Å; R156-E163 WeakPolarHBondContact CD-OE1 3.15Å; R156-E163 WeakPolarHBondContact CD-OE2 3.34Å; R156-E163 IonicContact CZ-OE2 2.72Å; R156-E163 IonicContact NH1-OE2 2.69Å; R156-E163 PolarHBondContact NH1-OE2 2.82Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.75Å; F158-E163 HydrophobicContact CE1-CG 4.42Å; F158-E163 HydrophobicContact CE2-CG 4.5Å; F158-E163 HydrophobicContact CZ-CB 4.03Å; F158-E163 HydrophobicContact CZ-CG 4.22Å; E163-T165 HydrophobicContact CG-CG2 4.47Å
164	E	96.4	Very high	96.3	Very high	47 Å²	47	71.8 Å²	71.8	22%	0.22	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.2	-179.7	-171.4	67.6	-94.4	0	0	108.5	W157 R159 Q162 V168 L187	W157-E164 HydrophobicContact CB-CB 4.34Å; W157-E164 PolarHBondContact O-N 3.28Å; R159-E164 HydrophobicContact CB-CB 4.44Å; R159-E164 IonicContact NH1-OE2 3.94Å; Q162-E164 PolarHBondContact O-N 2.95Å; E164-V168 WeakPolarHBondContact O-CG2 3.35Å; E164-L187 HydrophobicContact CG-CD1 3.7Å; E164-L187 HydrophobicContact CG-CD2 4.45Å
165	T	96.6	Very high	96.2	Very high	100 Å²	100	75.5 Å²	75.5	61%	0.613	41%	0.406	S	S	*	.			trans	-125.2	-21.3	179.9	56	0	0	0	0	112.1	E163 V168	E163-T165 HydrophobicContact CG-CG2 4.47Å; T165-V168 PolarHBondContact O-N 3.42Å
166	V	95.4	Very high	96.2	Very high	111 Å²	111	76.8 Å²	76.8	67%	0.673	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	132.3	178.2	-177	0	0	0	0	108.8	V168	V166-V168 PolarHBondContact O-N 2.96Å
167	G	92.8	Very high	96.1	Very high	29 Å²	29	77.8 Å²	77.8	30%	0.299	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	9.2	-176.8	0	0	0	0	0	114	L187 E188	G167-L187 WeakPolarHBondContact O-CA 3.44Å; G167-E188 PolarHBondContact O-N 2.66Å
168	V	97.1	Very high	96	Very high	50 Å²	50	82 Å²	82	30%	0.303	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.7	173.8	179.1	0	0	0	0	110	W157 E164 T165 V166 V185 M186 L187	W157-V168 HydrophobicContact CB-CG2 4.16Å; W157-V168 HydrophobicContact CG-CG2 4.42Å; E164-V168 WeakPolarHBondContact O-CG2 3.35Å; T165-V168 PolarHBondContact O-N 3.42Å; V166-V168 PolarHBondContact O-N 2.96Å; V168-V185 HydrophobicContact CG1-CG1 3.73Å; V168-M186 CarbonylContact C-O 3.53Å; V168-M186 VanDerWaalsContact CA-O 3.29Å; V168-M186 WeakPolarHBondContact CA-O 3.32Å; V168-L187 HydrophobicContact CG2-CD1 3.68Å
169	S	96.4	Very high	96	Very high	52 Å²	52	87.2 Å²	87.2	36%	0.364	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.3	171.9	56.7	0	0	0	0	110.3	V185 M186	S169-V185 CarbonylContact O-C 3.58Å; S169-V185 WeakPolarHBondContact O-CA 3.11Å; S169-M186 PolarHBondContact N-O 2.93Å; S169-M186 PolarHBondContact O-N 2.68Å
170	S	96.6	Very high	96.1	Very high	70 Å²	70	84.4 Å²	84.4	49%	0.49	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144	-179.3	-176.8	0	0	0	0	110.5	V183 L184	S170-V183 WeakPolarHBondContact OG-CG2 3.3Å; S170-L184 VanDerWaalsContact CA-O 3.31Å; S170-L184 WeakPolarHBondContact CA-O 3.38Å; S170-L184 PolarHBondContact OG-O 2.8Å
171	T	95.3	Very high	96.4	Very high	44 Å²	44	80.3 Å²	80.3	27%	0.27	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-67.5	159.3	169.4	62.8	0	0	0	0	110.3	L184 M186	T171-L184 HydrophobicContact CG2-CB 3.85Å; T171-L184 HydrophobicContact CG2-CD1 4.35Å; T171-L184 HydrophobicContact CG2-CG 4.34Å; T171-L184 PolarHBondContact N-O 3.21Å; T171-L184 PolarHBondContact OG1-N 2.72Å; T171-L184 VanDerWaalsContact OG1-N 3.08Å; T171-M186 HydrophobicContact CG2-CE 4.46Å
172	Q	95.8	Very high	96.6	Very high	179 Å²	179	80.1 Å²	80.1	84%	0.836	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-61.4	162	159.7	-66.4	-175.5	-12	0	0	110	I174	Q172-I174 PolarHBondContact O-N 3.42Å
173	L	96.4	Very high	96.7	Very high	73 Å²	73	73.1 Å²	73.1	38%	0.382	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-62.6	120.9	175.7	-170.7	73.4	0	0	0	109.9	F148 A151 F181	F148-L173 HydrophobicContact CE2-CD1 3.93Å; F148-L173 HydrophobicContact CZ-CD1 3.62Å; A151-L173 HydrophobicContact CB-CD2 3.42Å; A151-L173 VanDerWaalsContact CB-CD2 3.42Å; L173-F181 HydrophobicContact CD1-CB 3.82Å; L173-F181 HydrophobicContact CD1-CD1 4.25Å; L173-F181 HydrophobicContact CD1-CG 4.19Å; L173-F181 HydrophobicContact CD2-CD1 3.51Å; L173-F181 HydrophobicContact CD2-CE1 3.76Å; L173-F181 HydrophobicContact CD2-CG 4Å; L173-F181 HydrophobicContact CD2-CZ 4.43Å; L173-F181 HydrophobicContact CG-CB 4.18Å; L173-F181 HydrophobicContact CG-CD1 3.67Å; L173-F181 HydrophobicContact CG-CE1 4.35Å; L173-F181 HydrophobicContact CG-CG 4.12Å
174	I	97.4	Very high	96.7	Very high	62 Å²	62	71 Å²	71	32%	0.318	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.5	-179.5	-57.7	164	0	0	0	108.3	Q172 F181 Q182	Q172-I174 PolarHBondContact O-N 3.42Å; I174-F181 VanDerWaalsContact O-CA 3.28Å; I174-F181 WeakPolarHBondContact O-CA 3.48Å; I174-Q182 HydrophobicContact CB-CG 3.59Å; I174-Q182 HydrophobicContact CD1-CG 4.1Å; I174-Q182 HydrophobicContact CG1-CG 4.4Å; I174-Q182 HydrophobicContact CG2-CG 3.86Å; I174-Q182 PolarHBondContact N-O 2.91Å; I174-Q182 PolarHBondContact O-N 2.69Å
175	R	97.6	Very high	96.8	Very high	179 Å²	179	69 Å²	69	68%	0.675	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	120	176.1	-176.1	-174.3	-63.2	-89.7	0.2	109.3	F181	R175-F181 HydrophobicContact CB-CD1 4.23Å; R175-F181 HydrophobicContact CB-CE1 4.1Å; R175-F181 HydrophobicContact CG-CE1 4.12Å
176	N	96.9	Very high	96.8	Very high	56 Å²	56	67 Å²	67	30%	0.299	36%	0.364	S	S	.	.			trans	-77.5	-25.3	-175.5	-67.4	-21.1	0	0	0	113.3	D178 T180 Q182	N176-D178 VanDerWaalsContact CB-OD1 3.24Å; N176-D178 WeakPolarHBondContact CB-OD1 3.4Å; N176-T180 PolarHBondContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.42Å; N176-Q182 VanDerWaalsContact OD1-CD 3.24Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.42Å; N176-Q182 PolarHBondContact OD1-NE2 3.19Å
177	G	96.1	Very high	96.8	Very high	67 Å²	67	61.8 Å²	61.8	69%	0.691	33%	0.332	S	S	*	.	S	Bend	trans	95.9	-3.2	-178.6	0	0	0	0	0	114.4
178	D	97.1	Very high	96.9	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	34%	0.342	S	S	.	.	S	Bend	trans	-111.8	24.3	179.8	65.9	-7.6	0	0	0	112.6	N176 T180	N176-D178 VanDerWaalsContact CB-OD1 3.24Å; N176-D178 WeakPolarHBondContact CB-OD1 3.4Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 2.78Å; D178-T180 WeakPolarHBondContact OD1-CB 3.39Å; D178-T180 PolarHBondContact OD1-N 3.03Å; D178-T180 PolarHBondContact OD1-OG1 3.41Å; D178-T180 PolarHBondContact OD2-OG1 2.85Å
179	W	96.9	Very high	96.6	Very high	144 Å²	144	63.7 Å²	63.7	55%	0.545	33%	0.33	S	S	.	.	S	Bend	trans	65.4	25.7	-173.8	-60	74.2	0	0	0	115.1	R119 Y149	R119-W179 PolarHBondContact NE-O 3.17Å; Y149-W179 WeakPolarHBondContact CD2-O 3.48Å; Y149-W179 HydrophobicContact CE2-CE3 4.31Å
180	T	98.3	Very high	96.2	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	33%	0.329	C	S	.	.			trans	-122.9	164.4	167.5	71.4	0	0	0	0	111.9	N176 D178	N176-T180 PolarHBondContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.42Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 2.78Å; D178-T180 WeakPolarHBondContact OD1-CB 3.39Å; D178-T180 PolarHBondContact OD1-N 3.03Å; D178-T180 PolarHBondContact OD1-OG1 3.41Å; D178-T180 PolarHBondContact OD2-OG1 2.85Å
181	F	98.5	Very high	95.7	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	160.6	175.4	-61.2	-80.7	0	0	0	111.1	D147 F148 Y149 A151 L173 I174 R175	D147-F181 PolarHBondContact N-O 3.39Å; D147-F181 VanDerWaalsContact N-O 3.11Å; F148-F181 VanDerWaalsContact CD1-O 3.26Å; F148-F181 WeakPolarHBondContact CD1-O 3.45Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.25Å; F148-F181 WeakPolarHBondContact CE1-O 3.32Å; F148-F181 HydrophobicContact CE2-CB 3.7Å; F148-F181 HydrophobicContact CZ-CB 3.75Å; F148-F181 PolarHBondContact N-O 2.7Å; F148-F181 PolarHBondContact O-N 2.86Å; Y149-F181 AromaticContact CD2-CD2 3.96Å; Y149-F181 HydrophobicContact CD2-CD2 3.96Å; Y149-F181 AromaticContact CD2-CE2 3.49Å; Y149-F181 HydrophobicContact CD2-CE2 3.49Å; Y149-F181 VanDerWaalsContact CD2-CE2 3.49Å; Y149-F181 AromaticContact CE2-CE2 3.74Å; Y149-F181 HydrophobicContact CE2-CE2 3.74Å; Y149-F181 HydrophobicContact CE2-CZ 4.45Å; Y149-F181 HydrophobicContact CG-CE2 4.47Å; A151-F181 HydrophobicContact CB-CD2 4.24Å; A151-F181 HydrophobicContact CB-CE1 4.41Å; A151-F181 HydrophobicContact CB-CE2 3.83Å; A151-F181 HydrophobicContact CB-CZ 3.92Å; L173-F181 HydrophobicContact CD1-CB 3.82Å; L173-F181 HydrophobicContact CD1-CD1 4.25Å; L173-F181 HydrophobicContact CD1-CG 4.19Å; L173-F181 HydrophobicContact CD2-CD1 3.51Å; L173-F181 HydrophobicContact CD2-CE1 3.76Å; L173-F181 HydrophobicContact CD2-CG 4Å; L173-F181 HydrophobicContact CD2-CZ 4.43Å; L173-F181 HydrophobicContact CG-CB 4.18Å; L173-F181 HydrophobicContact CG-CD1 3.67Å; L173-F181 HydrophobicContact CG-CE1 4.35Å; L173-F181 HydrophobicContact CG-CG 4.12Å; I174-F181 VanDerWaalsContact O-CA 3.28Å; I174-F181 WeakPolarHBondContact O-CA 3.48Å; R175-F181 HydrophobicContact CB-CD1 4.23Å; R175-F181 HydrophobicContact CB-CE1 4.1Å; R175-F181 HydrophobicContact CG-CE1 4.12Å
182	Q	98.1	Very high	95.1	Very high	57 Å²	57	65.6 Å²	65.6	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.8	169.3	63.8	-173.7	1.5	0	0	111.1	V145 T146 I174 N176	V145-Q182 CarbonylContact O-C 3.57Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.48Å; T146-Q182 HydrophobicContact CG2-CB 4.1Å; I174-Q182 HydrophobicContact CB-CG 3.59Å; I174-Q182 HydrophobicContact CD1-CG 4.1Å; I174-Q182 HydrophobicContact CG1-CG 4.4Å; I174-Q182 HydrophobicContact CG2-CG 3.86Å; I174-Q182 PolarHBondContact N-O 2.91Å; I174-Q182 PolarHBondContact O-N 2.69Å; N176-Q182 VanDerWaalsContact OD1-CD 3.24Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.42Å; N176-Q182 PolarHBondContact OD1-NE2 3.19Å
183	V	98.2	Very high	94.6	Very high	8 Å²	8	66.8 Å²	66.8	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.8	174.1	64	0	0	0	0	109.3	V145 F148 I153 V155 S170 V185	V145-V183 HydrophobicContact CB-CG1 3.9Å; V145-V183 HydrophobicContact CG1-CG1 4.48Å; V145-V183 PolarHBondContact N-O 3.01Å; V145-V183 PolarHBondContact O-N 3.38Å; F148-V183 HydrophobicContact CE1-CG1 4.02Å; F148-V183 HydrophobicContact CZ-CG1 4.06Å; I153-V183 HydrophobicContact CG2-CG1 4.29Å; V155-V183 HydrophobicContact CG2-CG1 4.08Å; S170-V183 WeakPolarHBondContact OG-CG2 3.3Å; V183-V185 HydrophobicContact CG2-CG2 4.41Å
184	L	97.6	Very high	94	Very high	54 Å²	54	66.4 Å²	66.4	28%	0.283	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.2	174.5	-52.5	177.5	0	0	0	108.5	V142 S170 T171	V142-L184 HydrophobicContact CG1-CB 4.35Å; S170-L184 VanDerWaalsContact CA-O 3.31Å; S170-L184 WeakPolarHBondContact CA-O 3.38Å; S170-L184 PolarHBondContact OG-O 2.8Å; T171-L184 HydrophobicContact CG2-CB 3.85Å; T171-L184 HydrophobicContact CG2-CD1 4.35Å; T171-L184 HydrophobicContact CG2-CG 4.34Å; T171-L184 PolarHBondContact N-O 3.21Å; T171-L184 PolarHBondContact OG1-N 2.72Å; T171-L184 VanDerWaalsContact OG1-N 3.08Å
185	V	97.9	Very high	93.6	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.3	175.3	-169.3	0	0	0	0	109.2	C143 V155 W157 V168 S169 V183	C143-V185 PolarHBondContact N-O 2.83Å; C143-V185 PolarHBondContact O-N 2.9Å; V155-V185 HydrophobicContact CB-CG2 3.73Å; V155-V185 HydrophobicContact CG1-CB 4.01Å; V155-V185 HydrophobicContact CG1-CG2 3.47Å; V155-V185 VanDerWaalsContact CG1-CG2 3.47Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; W157-V185 PolarHBondContact NE1-O 2.88Å; V168-V185 HydrophobicContact CG1-CG1 3.73Å; S169-V185 CarbonylContact O-C 3.58Å; S169-V185 WeakPolarHBondContact O-CA 3.11Å; V183-V185 HydrophobicContact CG2-CG2 4.41Å
186	M	96.4	Very high	93.4	Very high	57 Å²	57	56.7 Å²	56.7	28%	0.281	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141	-175.3	-61.8	163.9	-74.2	0	0	109.9	T140 L141 V142 V168 S169 T171	T140-M186 HydrophobicContact CG2-CB 3.93Å; L141-M186 CarbonylContact O-C 3.57Å; L141-M186 VanDerWaalsContact O-CA 3.26Å; L141-M186 WeakPolarHBondContact O-CA 3.35Å; V142-M186 HydrophobicContact CG1-CG 4.32Å; V142-M186 HydrophobicContact CG2-CG 4.2Å; V168-M186 CarbonylContact C-O 3.53Å; V168-M186 VanDerWaalsContact CA-O 3.29Å; V168-M186 WeakPolarHBondContact CA-O 3.32Å; S169-M186 PolarHBondContact N-O 2.93Å; S169-M186 PolarHBondContact O-N 2.68Å; T171-M186 HydrophobicContact CG2-CE 4.46Å
187	L	96.4	Very high	93.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	115.7	174.4	169.9	63.9	0	0	0	109.4	T140 L141 W157 E164 G167 V168 M189 Y197	T140-L187 VanDerWaalsContact CA-O 3.29Å; T140-L187 WeakPolarHBondContact CA-O 3.05Å; L141-L187 PolarHBondContact N-O 3.49Å; L141-L187 PolarHBondContact O-N 3.33Å; W157-L187 HydrophobicContact CB-CD2 4.28Å; W157-L187 HydrophobicContact CD2-CB 4.05Å; W157-L187 HydrophobicContact CD2-CD2 4.02Å; W157-L187 HydrophobicContact CE3-CD2 4.12Å; W157-L187 HydrophobicContact CG-CB 4.03Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.42Å; E164-L187 HydrophobicContact CG-CD1 3.7Å; E164-L187 HydrophobicContact CG-CD2 4.45Å; G167-L187 WeakPolarHBondContact O-CA 3.44Å; V168-L187 HydrophobicContact CG2-CD1 3.68Å; L187-M189 HydrophobicContact CG-CB 4.3Å; L187-Y197 HydrophobicContact CD2-CD1 3.68Å; L187-Y197 HydrophobicContact CD2-CE1 4.03Å
188	E	94.2	Very high	93.4	Very high	109 Å²	109	51.9 Å²	51.9	51%	0.509	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.9	169.5	-66.3	-175.9	169.7	0	0	110.3	G167	G167-E188 PolarHBondContact O-N 2.66Å
189	M	90	Very high	93.5	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.054	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	168.7	-172	62.8	86.6	90.3	0	0	112	N139 L141 L187 P191 Y197 W214	N139-M189 HydrophobicContact CB-SD 4.33Å; N139-M189 PolarHBondContact N-O 3.02Å; N139-M189 PolarHBondContact O-N 3.44Å; L141-M189 HydrophobicContact CD1-CE 3.79Å; L141-M189 HydrophobicContact CD1-CG 4.38Å; L141-M189 HydrophobicContact CG-CE 4.24Å; L141-M189 HydrophobicContact CG-CG 4.27Å; L187-M189 HydrophobicContact CG-CB 4.3Å; M189-P191 HydrophobicContact CE-CB 3.67Å; M189-P191 HydrophobicContact CE-CG 4.47Å; M189-P191 HydrophobicContact SD-CB 3.81Å; M189-P191 WeakPolarHBondContact SD-CD 3.48Å; M189-P191 HydrophobicContact SD-CG 3.98Å; M189-P191 VanDerWaalsContact SD-N 3.44Å; M189-Y197 HydrophobicContact CB-CE1 4.25Å; M189-Y197 HydrophobicContact CE-CD1 4.08Å; M189-Y197 HydrophobicContact CE-CD2 3.62Å; M189-Y197 HydrophobicContact CE-CE1 3.59Å; M189-Y197 HydrophobicContact CE-CE2 3.1Å; M189-Y197 HydrophobicContact CE-CG 4.09Å; M189-Y197 WeakPolarHBondContact CE-OH 3.34Å; M189-Y197 HydrophobicContact CG-CE1 4.49Å; M189-W214 HydrophobicContact CE-CE3 4.48Å; M189-W214 HydrophobicContact CE-CH2 4.47Å; M189-W214 HydrophobicContact CE-CZ3 3.76Å
190	T	89.1	Confident	93.5	Very high	54 Å²	54	42.3 Å²	42.3	33%	0.331	21%	0.21	S	C	.	.			trans	-126.8	105.1	171.5	-62	0	0	0	0	107.7	N136 R192	N136-T190 VanDerWaalsContact C-CG2 3.45Å; T190-R192 PolarHBondContact O-N 3.46Å
191	P	84.9	Confident	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.			trans	-70	125.3	-167.2	25.2	-27.6	0	0	0	110.3	L135 N136 H137 M189 W214 A216	L135-P191 HydrophobicContact CD2-CB 4.44Å; N136-P191 PolarHBondContact N-O 3.29Å; H137-P191 VanDerWaalsContact O-CD 3.25Å; H137-P191 WeakPolarHBondContact O-CD 3.5Å; M189-P191 HydrophobicContact CE-CB 3.67Å; M189-P191 HydrophobicContact CE-CG 4.47Å; M189-P191 HydrophobicContact SD-CB 3.81Å; M189-P191 WeakPolarHBondContact SD-CD 3.48Å; M189-P191 HydrophobicContact SD-CG 3.98Å; M189-P191 VanDerWaalsContact SD-N 3.44Å; P191-W214 HydrophobicContact CB-CH2 4.07Å; P191-W214 HydrophobicContact CB-CZ3 4.27Å; P191-A216 HydrophobicContact CB-CB 3.83Å
192	R	84.3	Confident	93.6	Very high	151 Å²	151	44.4 Å²	44.4	57%	0.57	22%	0.219	S	C	*	.			trans	-107.1	153.8	171.6	-51	-180	175.5	179.8	-1.8	110.9	T190 G194 E195 A216	T190-R192 PolarHBondContact O-N 3.46Å; R192-G194 PolarHBondContact O-N 3.18Å; R192-E195 VanDerWaalsContact CB-CD 3.47Å; R192-E195 HydrophobicContact CB-CG 3.95Å; R192-E195 PolarHBondContact N-OE2 2.96Å; R192-E195 WeakPolarHBondContact O-CB 3.38Å; R192-E195 PolarHBondContact O-N 3.26Å; R192-A216 WeakPolarHBondContact O-CB 3.38Å
193	R	83.5	Confident	93.6	Very high	205 Å²	205	42.2 Å²	42.2	77%	0.774	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	129.5	-178.4	-166.2	177.3	-172.2	-176.4	0.5	110.7	E195	R193-E195 VanDerWaalsContact C-N 3.31Å
194	G	84.3	Confident	93.6	Very high	64 Å²	64	45.1 Å²	45.1	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	-3.5	178.8	0	0	0	0	0	114.7	R192	R192-G194 PolarHBondContact O-N 3.18Å
195	E	89.6	Confident	93.6	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.084	22%	0.221	C	C	.	.			trans	-74	142	172.4	-66.2	-177.5	154.7	0	0	111.5	R159 N160 R192 R193 Y197	R159-E195 IonicContact CZ-OE1 3.49Å; R159-E195 IonicContact NE-OE1 3.47Å; R159-E195 PolarHBondContact NE-OE1 3.01Å; R159-E195 IonicContact NE-OE2 3.95Å; R159-E195 IonicContact NH2-OE1 2.69Å; R159-E195 PolarHBondContact NH2-OE1 3.21Å; R159-E195 IonicContact NH2-OE2 3.52Å; N160-E195 WeakPolarHBondContact OD1-CA 3.43Å; R192-E195 VanDerWaalsContact CB-CD 3.47Å; R192-E195 HydrophobicContact CB-CG 3.95Å; R192-E195 PolarHBondContact N-OE2 2.96Å; R192-E195 WeakPolarHBondContact O-CB 3.38Å; R192-E195 PolarHBondContact O-N 3.26Å; R193-E195 VanDerWaalsContact C-N 3.31Å; E195-Y197 HydrophobicContact CB-CD2 4.41Å; E195-Y197 HydrophobicContact CB-CE2 3.64Å; E195-Y197 PolarHBondContact OE2-OH 2.75Å
196	V	93.3	Very high	93.6	Very high	20 Å²	20	44.6 Å²	44.6	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.8	177.1	-171	0	0	0	0	108.4	N160 E213 R215	N160-V196 PolarHBondContact N-O 2.62Å; N160-V196 PolarHBondContact OD1-N 2.87Å; V196-E213 HydrophobicContact CG1-CB 4.23Å; V196-E213 HydrophobicContact CG1-CG 4.17Å; V196-R215 HydrophobicContact CG1-CG 4.23Å; V196-R215 HydrophobicContact CG2-CG 4.21Å
197	Y	95.3	Very high	93.6	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.3	175.3	-64.9	-95.3	0	0	0	108.3	L141 F158 R159 L187 M189 E195 E213 W214	L141-Y197 HydrophobicContact CD1-CD1 3.98Å; L141-Y197 HydrophobicContact CD1-CD2 4.16Å; L141-Y197 HydrophobicContact CD1-CG 3.65Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 WeakPolarHBondContact O-CA 3.44Å; R159-Y197 HydrophobicContact CB-CD1 4.31Å; R159-Y197 HydrophobicContact CB-CE1 4.18Å; R159-Y197 HydrophobicContact CG-CD1 4.25Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 3.11Å; L187-Y197 HydrophobicContact CD2-CD1 3.68Å; L187-Y197 HydrophobicContact CD2-CE1 4.03Å; M189-Y197 HydrophobicContact CB-CE1 4.25Å; M189-Y197 HydrophobicContact CE-CD1 4.08Å; M189-Y197 HydrophobicContact CE-CD2 3.62Å; M189-Y197 HydrophobicContact CE-CE1 3.59Å; M189-Y197 HydrophobicContact CE-CE2 3.1Å; M189-Y197 HydrophobicContact CE-CG 4.09Å; M189-Y197 WeakPolarHBondContact CE-OH 3.34Å; M189-Y197 HydrophobicContact CG-CE1 4.49Å; E195-Y197 HydrophobicContact CB-CD2 4.41Å; E195-Y197 HydrophobicContact CB-CE2 3.64Å; E195-Y197 PolarHBondContact OE2-OH 2.75Å; Y197-E213 CarbonylContact O-C 3.59Å; Y197-E213 WeakPolarHBondContact O-CA 3.03Å; Y197-W214 AromaticContact CD2-CE3 3.76Å; Y197-W214 HydrophobicContact CD2-CE3 3.76Å; Y197-W214 AromaticContact CD2-CZ3 3.91Å; Y197-W214 HydrophobicContact CD2-CZ3 3.91Å; Y197-W214 HydrophobicContact CE2-CZ3 4.28Å; Y197-W214 HydrophobicContact CG-CE3 4.34Å; Y197-W214 PolarHBondContact N-O 2.74Å; Y197-W214 PolarHBondContact O-N 3.02Å
198	T	97.7	Very high	93.7	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.2	-177.3	-48.9	0	0	0	0	109.8	F158 T211 V212 E213	F158-T198 PolarHBondContact N-O 2.9Å; F158-T198 PolarHBondContact O-N 3.5Å; T198-T211 HydrophobicContact CG2-CG2 4.34Å; T198-V212 CarbonylContact C-O 3.53Å; T198-V212 VanDerWaalsContact CA-O 3.28Å; T198-V212 WeakPolarHBondContact CA-O 3.31Å; T198-V212 WeakPolarHBondContact CG2-O 3.36Å; T198-E213 HydrophobicContact CG2-CG 4.38Å
199	C	98.1	Very high	93.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.2	166.5	-174.7	0	0	0	0	108.9	I127 C143 W157 T211 V212	I127-C199 HydrophobicContact CD1-CB 3.74Å; I127-C199 HydrophobicContact CG1-CB 3.98Å; C143-C199 HydrophobicContact CB-CB 3.7Å; C143-C199 WeakPolarHBondContact CB-SG 3.38Å; C143-C199 WeakPolarHBondContact SG-CB 3.44Å; C143-C199 CovalentContact SG-SG 2.03Å; C143-C199 PolarHBondContact SG-SG 2.95Å; W157-C199 HydrophobicContact CE3-CB 4.43Å; W157-C199 HydrophobicContact CH2-CB 4.3Å; W157-C199 HydrophobicContact CZ3-CB 4.17Å; C199-T211 WeakPolarHBondContact O-CA 3.18Å; C199-V212 PolarHBondContact N-O 2.87Å; C199-V212 PolarHBondContact O-N 2.03Å
200	H	98.4	Very high	94.3	Very high	33 Å²	33	56 Å²	56	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.9	-178.3	-172	131	0	0	0	109.3	V155 R156 F158 E202 P209 I210	V155-H200 CarbonylContact C-O 3.56Å; V155-H200 WeakPolarHBondContact CA-O 3.37Å; R156-H200 HydrophobicContact CB-CB 4.38Å; R156-H200 PolarHBondContact N-O 3.25Å; R156-H200 PolarHBondContact NH2-NE2 3.49Å; R156-H200 PolarHBondContact O-N 2.9Å; F158-H200 HydrophobicContact CD2-CB 3.82Å; F158-H200 HydrophobicContact CE2-CB 3.62Å; F158-H200 AromaticContact CE2-CG 3.95Å; F158-H200 AromaticContact CE2-ND1 3.87Å; H200-E202 IonicContact NE2-OE1 3.43Å; H200-P209 WeakPolarHBondContact NE2-CB 3.32Å; H200-I210 WeakPolarHBondContact CA-O 3.3Å
201	V	98.7	Very high	94.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	-176.1	-177.6	0	0	0	0	110.8	P123 V125 V145 I153 V155 P209 I210	P123-V201 HydrophobicContact CG-CG1 4Å; V125-V201 HydrophobicContact CG1-CG2 4.01Å; V125-V201 HydrophobicContact CG2-CB 4.2Å; V125-V201 HydrophobicContact CG2-CG1 4.45Å; V125-V201 HydrophobicContact CG2-CG2 3.76Å; V145-V201 HydrophobicContact CG1-CG1 4.08Å; V145-V201 HydrophobicContact CG1-CG2 4.48Å; V145-V201 HydrophobicContact CG2-CG2 3.87Å; I153-V201 HydrophobicContact CD1-CG1 3.99Å; I153-V201 HydrophobicContact CG1-CG1 4.21Å; V155-V201 HydrophobicContact CG1-CG2 4.17Å; V155-V201 HydrophobicContact CG2-CG1 4.38Å; V155-V201 HydrophobicContact CG2-CG2 4.26Å; V201-P209 WeakPolarHBondContact O-CA 3.21Å; V201-I210 HydrophobicContact CB-CB 4.42Å; V201-I210 PolarHBondContact N-O 2.59Å; V201-I210 PolarHBondContact O-N 2.88Å
202	E	98.6	Very high	95.3	Very high	62 Å²	62	59.4 Å²	59.4	29%	0.29	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.8	170.3	-64.6	167.3	-136.5	0	0	109.2	K154 R156 H200 P209	K154-E202 HydrophobicContact CB-CB 4.25Å; K154-E202 PolarHBondContact N-O 3.46Å; K154-E202 IonicContact NZ-OE1 2.77Å; K154-E202 PolarHBondContact NZ-OE1 3.19Å; K154-E202 IonicContact NZ-OE2 3.51Å; K154-E202 PolarHBondContact O-N 3.28Å; R156-E202 IonicContact CZ-OE1 3.42Å; R156-E202 IonicContact NE-OE1 3.49Å; R156-E202 IonicContact NH2-OE1 3.93Å; R156-E202 PolarHBondContact NH2-OE1 2.63Å; H200-E202 IonicContact NE2-OE1 3.43Å; E202-P209 HydrophobicContact CG-CB 4.17Å; E202-P209 HydrophobicContact CG-CG 4.11Å
203	H	98.7	Very high	95.8	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.056	31%	0.31	C	S	.	.			trans	-150.9	144.5	-178.8	179.7	-98.2	0	0	0	110.4	E121 P123 F148 Y149 P150 K152 I153 S205 L206	E121-H203 PolarHBondContact O-CE1 2.97Å; P123-H203 HydrophobicContact CG-CB 4.15Å; F148-H203 AromaticContact CD2-CD2 3.82Å; F148-H203 AromaticContact CD2-NE2 3.74Å; Y149-H203 VanDerWaalsContact C-CE1 3.5Å; Y149-H203 PolarHBondContact O-CE1 2.85Å; P150-H203 PolarHBondContact O-NE2 2.86Å; P150-H203 VanDerWaalsContact O-NE2 3.08Å; K152-H203 PolarHBondContact O-CD2 3.07Å; K152-H203 VanDerWaalsContact O-CD2 3.24Å; I153-H203 HydrophobicContact CG1-CB 4.34Å; H203-S205 PolarHBondContact CE1-OG 2.85Å; H203-S205 PolarHBondContact ND1-N 3.45Å; H203-S205 PolarHBondContact ND1-OG 2.79Å; H203-S205 PolarHBondContact O-N 3.19Å; H203-S205 VanDerWaalsContact O-N 3.09Å; H203-L206 HydrophobicContact CB-CD1 3.93Å; H203-L206 HydrophobicContact CB-CG 4.18Å; H203-L206 WeakPolarHBondContact O-CB 3.47Å; H203-L206 PolarHBondContact O-N 3.18Å
204	P	98.3	Very high	96.3	Very high	68 Å²	68	49.4 Å²	49.4	44%	0.442	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.8	-176.3	-29.4	36.9	0	0	0	116.3	L120 P150 K152 L206	L120-P204 HydrophobicContact CD2-CB 4.42Å; P150-P204 HydrophobicContact CG-CG 4.33Å; K152-P204 HydrophobicContact CB-CG 4.38Å; K152-P204 HydrophobicContact CD-CG 4.45Å; K152-P204 WeakPolarHBondContact O-CD 3.49Å; P204-L206 VanDerWaalsContact C-N 3.28Å
205	S	98	Very high	96.6	Very high	20 Å²	20	53 Å²	53	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8	176.1	68.5	0	0	0	0	113.9	E121 Q122 H203	E121-S205 PolarHBondContact O-OG 2.86Å; Q122-S205 WeakPolarHBondContact CA-OG 3.04Å; Q122-S205 WeakPolarHBondContact CG-OG 3.38Å; H203-S205 PolarHBondContact CE1-OG 2.85Å; H203-S205 PolarHBondContact ND1-N 3.45Å; H203-S205 PolarHBondContact ND1-OG 2.79Å; H203-S205 PolarHBondContact O-N 3.19Å; H203-S205 VanDerWaalsContact O-N 3.09Å
206	L	98.2	Very high	96.2	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.152	27%	0.273	C	S	.	.			trans	-100	132.8	-177.3	-59.5	174.5	0	0	0	111	Q122 P123 H203 P204 S208 I210	Q122-L206 HydrophobicContact CB-CD2 4.19Å; Q122-L206 HydrophobicContact CG-CD2 3.95Å; P123-L206 HydrophobicContact CG-CD1 3.96Å; P123-L206 HydrophobicContact CG-CG 4.5Å; H203-L206 HydrophobicContact CB-CD1 3.93Å; H203-L206 HydrophobicContact CB-CG 4.18Å; H203-L206 WeakPolarHBondContact O-CB 3.47Å; H203-L206 PolarHBondContact O-N 3.18Å; P204-L206 VanDerWaalsContact C-N 3.28Å; L206-S208 WeakPolarHBondContact CB-O 3.43Å; L206-I210 HydrophobicContact CD1-CB 4.48Å; L206-I210 HydrophobicContact CD1-CD1 3.8Å; L206-I210 HydrophobicContact CD1-CG1 3.85Å; L206-I210 HydrophobicContact CD2-CD1 3.74Å; L206-I210 HydrophobicContact CD2-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 4.44Å
207	K	97.1	Very high	95	Very high	224 Å²	224	57.4 Å²	57.4	97%	0.974	29%	0.294	S	S	*	.	S	Bend	trans	-74.7	-31.1	172.2	-65.7	-176	-179.2	179.7	0	112.5
208	S	97.5	Very high	93	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	30%	0.302	S	S	*	.	S	Bend	trans	-138.2	149.8	177.4	55.7	0	0	0	0	109	L206	L206-S208 WeakPolarHBondContact CB-O 3.43Å
209	P	97.8	Very high	90.9	Very high	62 Å²	62	64.4 Å²	64.4	40%	0.403	33%	0.328	S	S	.	.			trans	-60.6	147.4	179.9	-19.7	31.3	0	0	0	112.4	H200 V201 E202	H200-P209 WeakPolarHBondContact NE2-CB 3.32Å; V201-P209 WeakPolarHBondContact O-CA 3.21Å; E202-P209 HydrophobicContact CG-CB 4.17Å; E202-P209 HydrophobicContact CG-CG 4.11Å
210	I	98.1	Very high	88.7	Confident	48 Å²	48	66.9 Å²	66.9	25%	0.246	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.4	169.7	-69.4	170.5	0	0	0	108.2	P123 V125 H200 V201 L206 V212	P123-I210 HydrophobicContact CG-CD1 4.29Å; V125-I210 HydrophobicContact CB-CG2 4.11Å; V125-I210 HydrophobicContact CG2-CB 4.44Å; V125-I210 HydrophobicContact CG2-CD1 4.35Å; V125-I210 HydrophobicContact CG2-CG2 3.88Å; H200-I210 WeakPolarHBondContact CA-O 3.3Å; V201-I210 HydrophobicContact CB-CB 4.42Å; V201-I210 PolarHBondContact N-O 2.59Å; V201-I210 PolarHBondContact O-N 2.88Å; L206-I210 HydrophobicContact CD1-CB 4.48Å; L206-I210 HydrophobicContact CD1-CD1 3.8Å; L206-I210 HydrophobicContact CD1-CG1 3.85Å; L206-I210 HydrophobicContact CD2-CD1 3.74Å; L206-I210 HydrophobicContact CD2-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 4.44Å; I210-V212 HydrophobicContact CG2-CG2 3.97Å
211	T	97.4	Very high	86.5	Confident	86 Å²	86	67.9 Å²	67.9	53%	0.528	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.6	173.4	54.4	0	0	0	0	109.4	T198 C199	T198-T211 HydrophobicContact CG2-CG2 4.34Å; C199-T211 WeakPolarHBondContact O-CA 3.18Å
212	V	97.5	Very high	84.2	Confident	40 Å²	40	76.9 Å²	76.9	24%	0.242	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.3	174.9	-178.4	0	0	0	0	108.3	V125 I127 T198 C199 I210	V125-V212 HydrophobicContact CB-CG2 3.84Å; V125-V212 HydrophobicContact CG1-CB 4.22Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å; I127-V212 HydrophobicContact CD1-CB 4.06Å; I127-V212 HydrophobicContact CD1-CG1 3.89Å; I127-V212 WeakPolarHBondContact CD1-O 3.34Å; I127-V212 HydrophobicContact CG1-CB 4.36Å; I127-V212 HydrophobicContact CG1-CG1 4.02Å; T198-V212 CarbonylContact C-O 3.53Å; T198-V212 VanDerWaalsContact CA-O 3.28Å; T198-V212 WeakPolarHBondContact CA-O 3.31Å; T198-V212 WeakPolarHBondContact CG2-O 3.36Å; C199-V212 PolarHBondContact N-O 2.87Å; C199-V212 PolarHBondContact O-N 2.03Å; I210-V212 HydrophobicContact CG2-CG2 3.97Å
213	E	96.1	Very high	82.2	Confident	111 Å²	111	77.5 Å²	77.5	52%	0.519	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.6	177.9	-65.6	-171.8	176.2	0	0	111.6	V196 Y197 T198 R215	V196-E213 HydrophobicContact CG1-CB 4.23Å; V196-E213 HydrophobicContact CG1-CG 4.17Å; Y197-E213 CarbonylContact O-C 3.59Å; Y197-E213 WeakPolarHBondContact O-CA 3.03Å; T198-E213 HydrophobicContact CG2-CG 4.38Å; E213-R215 IonicContact OE2-CZ 3.87Å; E213-R215 IonicContact OE2-NE 3.59Å; E213-R215 PolarHBondContact OE2-NE 2.65Å; E213-R215 IonicContact OE2-NH2 2.86Å; E213-R215 PolarHBondContact OE2-NH2 3.31Å
214	W	93.5	Very high	80.4	Confident	35 Å²	35	83.9 Å²	83.9	13%	0.133	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.7	167	-176.8	90.7	0	0	0	109	I127 L129 L141 M189 P191 Y197 A216	I127-W214 HydrophobicContact CB-CB 4.24Å; I127-W214 HydrophobicContact CD1-CB 4Å; I127-W214 HydrophobicContact CG2-CB 3.69Å; I127-W214 HydrophobicContact CG2-CG 3.9Å; L129-W214 HydrophobicContact CD1-CZ2 3.61Å; L129-W214 HydrophobicContact CD2-CZ2 4.24Å; L129-W214 HydrophobicContact CG-CZ2 4.02Å; L141-W214 HydrophobicContact CD1-CD2 4.17Å; L141-W214 HydrophobicContact CD1-CE3 3.69Å; L141-W214 HydrophobicContact CD1-CZ3 4.18Å; L141-W214 HydrophobicContact CD2-CD2 3.62Å; L141-W214 HydrophobicContact CD2-CE3 3.86Å; L141-W214 HydrophobicContact CD2-CG 4.05Å; L141-W214 HydrophobicContact CD2-CH2 4.4Å; L141-W214 HydrophobicContact CD2-CZ2 4.23Å; L141-W214 HydrophobicContact CD2-CZ3 4.23Å; L141-W214 HydrophobicContact CG-CE3 4.38Å; M189-W214 HydrophobicContact CE-CE3 4.48Å; M189-W214 HydrophobicContact CE-CH2 4.47Å; M189-W214 HydrophobicContact CE-CZ3 3.76Å; P191-W214 HydrophobicContact CB-CH2 4.07Å; P191-W214 HydrophobicContact CB-CZ3 4.27Å; Y197-W214 AromaticContact CD2-CE3 3.76Å; Y197-W214 HydrophobicContact CD2-CE3 3.76Å; Y197-W214 AromaticContact CD2-CZ3 3.91Å; Y197-W214 HydrophobicContact CD2-CZ3 3.91Å; Y197-W214 HydrophobicContact CE2-CZ3 4.28Å; Y197-W214 HydrophobicContact CG-CE3 4.34Å; Y197-W214 PolarHBondContact N-O 2.74Å; Y197-W214 PolarHBondContact O-N 3.02Å; W214-A216 VanDerWaalsContact CH2-CA 3.44Å; W214-A216 HydrophobicContact CH2-CB 3.84Å; W214-A216 HydrophobicContact CZ3-CB 3.89Å
215	R	90.4	Very high	78.5	Confident	139 Å²	139	87.1 Å²	87.1	53%	0.525	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.9	-178.4	-64.6	-179.4	-179.7	-103.1	-5.5	108.8	V196 E213 Q217	V196-R215 HydrophobicContact CG1-CG 4.23Å; V196-R215 HydrophobicContact CG2-CG 4.21Å; E213-R215 IonicContact OE2-CZ 3.87Å; E213-R215 IonicContact OE2-NE 3.59Å; E213-R215 PolarHBondContact OE2-NE 2.65Å; E213-R215 IonicContact OE2-NH2 2.86Å; E213-R215 PolarHBondContact OE2-NH2 3.31Å; R215-Q217 PolarHBondContact O-N 3.23Å
216	A	80.5	Confident	76.9	Confident	12 Å²	12	91.8 Å²	91.8	10%	0.099	47%	0.466	C	S	.	.			trans	-62.9	110.2	173.6	0	0	0	0	0	109.5	L135 P191 R192 W214	L135-A216 HydrophobicContact CD2-CB 4.08Å; P191-A216 HydrophobicContact CB-CB 3.83Å; R192-A216 WeakPolarHBondContact O-CB 3.38Å; W214-A216 VanDerWaalsContact CH2-CA 3.44Å; W214-A216 HydrophobicContact CH2-CB 3.84Å; W214-A216 HydrophobicContact CZ3-CB 3.89Å
217	Q	69.1	Low	75.7	Confident	118 Å²	118	94.7 Å²	94.7	55%	0.551	49%	0.489	S	S	*	.			trans	-84.6	145.2	175.3	-68.6	-166.5	-4	0	0	109.1	E133 R215	E133-Q217 PolarHBondContact OE1-N 3.23Å; R215-Q217 PolarHBondContact O-N 3.23Å
218	S	53	Low	74.6	Confident	24 Å²	24	85.9 Å²	85.9	17%	0.168	46%	0.461	C	S	.	.			trans	-85.4	133.6	171.5	109	0	0	0	0	108.2	S220 A221	S218-S220 PolarHBondContact O-N 3.27Å; S218-S220 VanDerWaalsContact OG-CB 3.22Å; S218-S220 WeakPolarHBondContact OG-CB 3.36Å; S218-S220 PolarHBondContact OG-N 2.92Å; S218-A221 WeakPolarHBondContact O-CB 3.26Å; S218-A221 PolarHBondContact O-N 3.16Å; S218-A221 PolarHBondContact OG-N 2.78Å
219	E	53.7	Low	73.6	Confident	146 Å²	146	86.5 Å²	86.5	68%	0.682	46%	0.457	S	S	*	.	H	α-helix	trans	-48.3	-30.8	171.1	-73.5	-164.8	144	0	0	112.6	A221 R222 S223	E219-A221 PolarHBondContact O-N 3.4Å; E219-R222 PolarHBondContact O-N 2.88Å; E219-S223 WeakPolarHBondContact O-CB 3.47Å; E219-S223 PolarHBondContact O-N 2.84Å
220	S	51.3	Low	72.6	Confident	51 Å²	51	85.1 Å²	85.1	36%	0.357	45%	0.454	S	S	.	.	H	α-helix	trans	-58.3	-31.3	175.1	-167	0	0	0	0	113.2	S218 K224	S218-S220 PolarHBondContact O-N 3.27Å; S218-S220 VanDerWaalsContact OG-CB 3.22Å; S218-S220 WeakPolarHBondContact OG-CB 3.36Å; S218-S220 PolarHBondContact OG-N 2.92Å; S220-K224 WeakPolarHBondContact O-CB 3.38Å; S220-K224 WeakPolarHBondContact O-CD 3.18Å; S220-K224 WeakPolarHBondContact O-CG 3.4Å; S220-K224 PolarHBondContact O-N 3.12Å; S220-K224 VanDerWaalsContact OG-CE 3.23Å; S220-K224 WeakPolarHBondContact OG-CE 3.44Å; S220-K224 PolarHBondContact OG-NZ 2.76Å
221	A	52.4	Low	72	Confident	55 Å²	55	84.9 Å²	84.9	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-74.1	-41.5	179.9	0	0	0	0	0	111.7	S218 E219 M225	S218-A221 WeakPolarHBondContact O-CB 3.26Å; S218-A221 PolarHBondContact O-N 3.16Å; S218-A221 PolarHBondContact OG-N 2.78Å; E219-A221 PolarHBondContact O-N 3.4Å; A221-M225 WeakPolarHBondContact O-CB 3.5Å; A221-M225 PolarHBondContact O-N 2.77Å
222	R	51.6	Low	71.4	Confident	188 Å²	188	85 Å²	85	71%	0.709	47%	0.467	S	S	*	.	H	α-helix	trans	-67.7	-43.2	175.7	-163.4	174.9	-174.3	176.9	1.7	111.3	E219 M225 L226	E219-R222 PolarHBondContact O-N 2.88Å; R222-M225 PolarHBondContact O-N 2.77Å; R222-L226 HydrophobicContact CG-CD1 4.25Å; R222-L226 WeakPolarHBondContact O-CD1 3.42Å; R222-L226 PolarHBondContact O-N 3.24Å
223	S	56.9	Low	70.9	Confident	76 Å²	76	87 Å²	87	53%	0.531	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-44.4	174.6	166.2	0	0	0	0	112.8	E219 M225 L226 S227	E219-S223 WeakPolarHBondContact O-CB 3.47Å; E219-S223 PolarHBondContact O-N 2.84Å; S223-M225 PolarHBondContact O-N 3.29Å; S223-L226 PolarHBondContact O-N 3.32Å; S223-S227 WeakPolarHBondContact O-CB 3.3Å; S223-S227 PolarHBondContact O-N 2.89Å
224	K	59.7	Low	70.6	Confident	145 Å²	145	86.5 Å²	86.5	63%	0.63	48%	0.479	S	S	*	.	H	α-helix	trans	-66.3	-36.6	177.7	-77.5	170.1	177.6	169.6	0	112.6	S220 G228	S220-K224 WeakPolarHBondContact O-CB 3.38Å; S220-K224 WeakPolarHBondContact O-CD 3.18Å; S220-K224 WeakPolarHBondContact O-CG 3.4Å; S220-K224 PolarHBondContact O-N 3.12Å; S220-K224 VanDerWaalsContact OG-CE 3.23Å; S220-K224 WeakPolarHBondContact OG-CE 3.44Å; S220-K224 PolarHBondContact OG-NZ 2.76Å; K224-G228 PolarHBondContact O-N 3.25Å
225	M	59.8	Low	70.4	Confident	137 Å²	137	86.3 Å²	86.3	68%	0.675	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-40.9	176.4	-163.6	178.6	158.1	0	0	111.7	A221 R222 S223 G228 I229	A221-M225 WeakPolarHBondContact O-CB 3.5Å; A221-M225 PolarHBondContact O-N 2.77Å; R222-M225 PolarHBondContact O-N 2.77Å; S223-M225 PolarHBondContact O-N 3.29Å; M225-G228 PolarHBondContact O-N 3.01Å; M225-I229 HydrophobicContact CE-CD1 4.48Å; M225-I229 HydrophobicContact CG-CD1 4.44Å; M225-I229 VanDerWaalsContact O-CG1 3.32Å; M225-I229 WeakPolarHBondContact O-CG1 3.49Å; M225-I229 PolarHBondContact O-N 3.1Å
226	L	62.5	Low	70.5	Confident	118 Å²	118	84.6 Å²	84.6	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-40.4	174.4	-91.6	144.7	0	0	0	112.9	R222 S223 G230	R222-L226 HydrophobicContact CG-CD1 4.25Å; R222-L226 WeakPolarHBondContact O-CD1 3.42Å; R222-L226 PolarHBondContact O-N 3.24Å; S223-L226 PolarHBondContact O-N 3.32Å; L226-G230 PolarHBondContact O-N 3.07Å
227	S	73.5	Confident	71	Confident	90 Å²	90	88.2 Å²	88.2	63%	0.629	51%	0.509	S	S	*	.	H	α-helix	trans	-67.6	-39.4	175.3	-178.4	0	0	0	0	112.1	S223 G230 G231	S223-S227 WeakPolarHBondContact O-CB 3.3Å; S223-S227 PolarHBondContact O-N 2.89Å; S227-G230 PolarHBondContact O-N 3.43Å; S227-G231 PolarHBondContact O-N 3.03Å
228	G	73.8	Confident	72.1	Confident	38 Å²	38	89.5 Å²	89.5	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-44.6	175.3	0	0	0	0	0	112.9	K224 M225 G231 C232	K224-G228 PolarHBondContact O-N 3.25Å; M225-G228 PolarHBondContact O-N 3.01Å; G228-G231 PolarHBondContact O-N 3.47Å; G228-C232 PolarHBondContact O-N 3.15Å
229	I	77.6	Confident	73.9	Confident	98 Å²	98	94.2 Å²	94.2	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175.8	-67.4	166.2	0	0	0	110.7	M225 G231 C232 V233	M225-I229 HydrophobicContact CE-CD1 4.48Å; M225-I229 HydrophobicContact CG-CD1 4.44Å; M225-I229 VanDerWaalsContact O-CG1 3.32Å; M225-I229 WeakPolarHBondContact O-CG1 3.49Å; M225-I229 PolarHBondContact O-N 3.1Å; I229-G231 VanDerWaalsContact C-N 3.34Å; I229-G231 PolarHBondContact O-N 3.03Å; I229-C232 PolarHBondContact O-N 2.64Å; I229-V233 HydrophobicContact CG2-CG2 4.47Å; I229-V233 WeakPolarHBondContact O-CG2 3.38Å; I229-V233 PolarHBondContact O-N 3.17Å
230	G	77.3	Confident	75.6	Confident	33 Å²	33	89.2 Å²	89.2	34%	0.34	52%	0.524	S	S	.	.	H	α-helix	trans	-59.1	-42.7	175.5	0	0	0	0	0	113	L226 S227 L234	L226-G230 PolarHBondContact O-N 3.07Å; S227-G230 PolarHBondContact O-N 3.43Å; G230-L234 WeakPolarHBondContact O-CG 3.23Å; G230-L234 PolarHBondContact O-N 3Å; G230-L234 VanDerWaalsContact O-N 3.13Å
231	G	84.1	Confident	77.5	Confident	43 Å²	43	91.3 Å²	91.3	44%	0.443	53%	0.53	S	S	.	.	H	α-helix	trans	-65.3	-42	176.6	0	0	0	0	0	113.5	S227 G228 I229 L234 G235	S227-G231 PolarHBondContact O-N 3.03Å; G228-G231 PolarHBondContact O-N 3.47Å; I229-G231 VanDerWaalsContact C-N 3.34Å; I229-G231 PolarHBondContact O-N 3.03Å; G231-L234 PolarHBondContact O-N 2.95Å; G231-G235 PolarHBondContact O-N 2.9Å
232	C	84.3	Confident	79.2	Confident	89 Å²	89	90.5 Å²	90.5	60%	0.601	53%	0.528	S	S	*	.	H	α-helix	trans	-63.9	-43.9	176.5	-76	0	0	0	0	112.2	G228 I229 G235 V236	G228-C232 PolarHBondContact O-N 3.15Å; I229-C232 PolarHBondContact O-N 2.64Å; C232-G235 PolarHBondContact O-N 3Å; C232-V236 WeakPolarHBondContact O-CG2 3.3Å; C232-V236 PolarHBondContact O-N 3.48Å
233	V	88.8	Confident	80.9	Confident	80 Å²	80	87.2 Å²	87.2	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-45.5	179.1	173	0	0	0	0	110.8	I229 G235 V236 I237	I229-V233 HydrophobicContact CG2-CG2 4.47Å; I229-V233 WeakPolarHBondContact O-CG2 3.38Å; I229-V233 PolarHBondContact O-N 3.17Å; V233-G235 VanDerWaalsContact C-N 3.35Å; V233-G235 PolarHBondContact O-N 3.08Å; V233-V236 PolarHBondContact O-N 3.24Å; V233-I237 HydrophobicContact CG1-CD1 3.96Å; V233-I237 VanDerWaalsContact O-CG1 3.32Å; V233-I237 WeakPolarHBondContact O-CG1 3.49Å; V233-I237 PolarHBondContact O-N 3.37Å; V233-I237 VanDerWaalsContact O-N 3.08Å
234	L	89.5	Confident	82.3	Confident	101 Å²	101	88.8 Å²	88.8	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-45.1	175.5	-72.9	169	0	0	0	111.4	G230 G231 V236 I237 F238	G230-L234 WeakPolarHBondContact O-CG 3.23Å; G230-L234 PolarHBondContact O-N 3Å; G230-L234 VanDerWaalsContact O-N 3.13Å; G231-L234 PolarHBondContact O-N 2.95Å; L234-V236 PolarHBondContact O-N 3.24Å; L234-I237 PolarHBondContact O-N 2.91Å; L234-F238 WeakPolarHBondContact O-CD2 3.01Å; L234-F238 PolarHBondContact O-N 3.24Å
235	G	88.8	Confident	83.5	Confident	32 Å²	32	87.3 Å²	87.3	33%	0.33	52%	0.519	S	S	.	.	H	α-helix	trans	-59	-42.3	177.5	0	0	0	0	0	113.6	G231 C232 V233 F238 L239	G231-G235 PolarHBondContact O-N 2.9Å; C232-G235 PolarHBondContact O-N 3Å; V233-G235 VanDerWaalsContact C-N 3.35Å; V233-G235 PolarHBondContact O-N 3.08Å; G235-F238 PolarHBondContact O-N 2.9Å; G235-L239 WeakPolarHBondContact O-CB 3.42Å; G235-L239 WeakPolarHBondContact O-CG 3.48Å; G235-L239 PolarHBondContact O-N 3.49Å
236	V	92.5	Very high	84.5	Confident	102 Å²	102	89.2 Å²	89.2	62%	0.618	52%	0.519	S	S	*	.	H	α-helix	trans	-66.2	-39.4	177.2	174.8	0	0	0	0	111.5	C232 V233 L234 L239 G240	C232-V236 WeakPolarHBondContact O-CG2 3.3Å; C232-V236 PolarHBondContact O-N 3.48Å; V233-V236 PolarHBondContact O-N 3.24Å; L234-V236 PolarHBondContact O-N 3.24Å; V236-L239 PolarHBondContact O-N 3.46Å; V236-G240 PolarHBondContact O-N 2.89Å
237	I	91.8	Very high	85.3	Confident	88 Å²	88	90 Å²	90	45%	0.451	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-46.8	176	-67.9	165.5	0	0	0	110.6	V233 L234 G240 L241	V233-I237 HydrophobicContact CG1-CD1 3.96Å; V233-I237 VanDerWaalsContact O-CG1 3.32Å; V233-I237 WeakPolarHBondContact O-CG1 3.49Å; V233-I237 PolarHBondContact O-N 3.37Å; V233-I237 VanDerWaalsContact O-N 3.08Å; L234-I237 PolarHBondContact O-N 2.91Å; I237-G240 PolarHBondContact O-N 3.38Å; I237-L241 HydrophobicContact CG2-CD1 3.84Å; I237-L241 HydrophobicContact CG2-CG 4.49Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 WeakPolarHBondContact O-CG 3.34Å; I237-L241 PolarHBondContact O-N 3.3Å
238	F	90.8	Very high	85.4	Confident	145 Å²	145	93.7 Å²	93.7	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-64.4	-40.4	178.1	-79.8	-69	0	0	0	112.6	L234 G235 G242	L234-F238 WeakPolarHBondContact O-CD2 3.01Å; L234-F238 PolarHBondContact O-N 3.24Å; G235-F238 PolarHBondContact O-N 2.9Å; F238-G242 PolarHBondContact O-N 3.05Å
239	L	90.9	Very high	85.1	Confident	123 Å²	123	96 Å²	96	64%	0.644	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-44	174.8	-81.5	164.4	0	0	0	112.1	G235 V236 G242 L243	G235-L239 WeakPolarHBondContact O-CB 3.42Å; G235-L239 WeakPolarHBondContact O-CG 3.48Å; G235-L239 PolarHBondContact O-N 3.49Å; V236-L239 PolarHBondContact O-N 3.46Å; L239-G242 PolarHBondContact O-N 3.44Å; L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.27Å
240	G	89.5	Confident	84.5	Confident	41 Å²	41	98.8 Å²	98.8	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-46.7	176.4	0	0	0	0	0	112.5	V236 I237 L243 F244	V236-G240 PolarHBondContact O-N 2.89Å; I237-G240 PolarHBondContact O-N 3.38Å; G240-L243 PolarHBondContact O-N 2.94Å; G240-F244 WeakPolarHBondContact O-CB 3.31Å; G240-F244 PolarHBondContact O-N 3.08Å
241	L	91.9	Very high	83.7	Confident	95 Å²	95	103.5 Å²	103.5	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-43.4	175.6	-75	168	0	0	0	111.8	I237 L243 F244 I245	I237-L241 HydrophobicContact CG2-CD1 3.84Å; I237-L241 HydrophobicContact CG2-CG 4.49Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 WeakPolarHBondContact O-CG 3.34Å; I237-L241 PolarHBondContact O-N 3.3Å; L241-L243 PolarHBondContact O-N 3.17Å; L241-F244 PolarHBondContact O-N 2.94Å; L241-I245 WeakPolarHBondContact O-CG1 3.16Å; L241-I245 PolarHBondContact O-N 2.7Å
242	G	87.9	Confident	82.3	Confident	39 Å²	39	104 Å²	104	40%	0.402	55%	0.551	S	S	.	*	H	α-helix	trans	-60.6	-44.6	176.9	0	0	0	0	0	112.6	F238 L239 R246	F238-G242 PolarHBondContact O-N 3.05Å; L239-G242 PolarHBondContact O-N 3.44Å; G242-R246 PolarHBondContact O-N 3.49Å; G242-R246 VanDerWaalsContact O-N 3.08Å
243	L	87.6	Confident	80.9	Confident	118 Å²	118	106 Å²	106	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-39.8	175.5	-75.2	169.2	0	0	0	112.1	L239 G240 L241 R246 Y247	L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.27Å; G240-L243 PolarHBondContact O-N 2.94Å; L241-L243 PolarHBondContact O-N 3.17Å; L243-R246 PolarHBondContact O-N 3.43Å; L243-Y247 WeakPolarHBondContact O-CB 3.49Å; L243-Y247 PolarHBondContact O-N 3.15Å
244	F	85.7	Confident	79.2	Confident	110 Å²	110	114.2 Å²	114.2	48%	0.482	59%	0.586	S	S	.	*	H	α-helix	trans	-64.2	-43.8	178	-177.9	-98.4	0	0	0	112.5	G240 L241 Y247 R248	G240-F244 WeakPolarHBondContact O-CB 3.31Å; G240-F244 PolarHBondContact O-N 3.08Å; L241-F244 PolarHBondContact O-N 2.94Å; F244-Y247 PolarHBondContact O-N 3.14Å; F244-R248 HydrophobicContact CD1-CG 4.3Å; F244-R248 HydrophobicContact CE1-CG 3.95Å; F244-R248 HydrophobicContact CZ-CG 4.14Å; F244-R248 WeakPolarHBondContact O-CB 3.09Å; F244-R248 WeakPolarHBondContact O-CG 3.32Å; F244-R248 PolarHBondContact O-N 3.12Å
245	I	85.6	Confident	77.5	Confident	114 Å²	114	112.4 Å²	112.4	59%	0.585	59%	0.592	S	S	*	*	H	α-helix	trans	-63.2	-43.8	176	-66.8	168.4	0	0	0	110.3	L241 Y247 R248 S249	L241-I245 WeakPolarHBondContact O-CG1 3.16Å; L241-I245 PolarHBondContact O-N 2.7Å; I245-Y247 VanDerWaalsContact C-N 3.34Å; I245-Y247 PolarHBondContact O-N 2.93Å; I245-R248 PolarHBondContact O-N 2.89Å; I245-S249 PolarHBondContact O-N 3.45Å
246	R	81.3	Confident	76	Confident	177 Å²	177	116.7 Å²	116.7	67%	0.668	61%	0.614	S	S	*	*	H	α-helix	trans	-61.4	-41.4	176.4	-124.8	178.2	-177.5	161.5	0.6	112.4	G242 L243 S249 Q250	G242-R246 PolarHBondContact O-N 3.49Å; G242-R246 VanDerWaalsContact O-N 3.08Å; L243-R246 PolarHBondContact O-N 3.43Å; R246-S249 PolarHBondContact O-N 2.93Å; R246-S249 PolarHBondContact O-OG 3.42Å; R246-S249 VanDerWaalsContact O-OG 3.11Å; R246-Q250 WeakPolarHBondContact O-CG 3.4Å; R246-Q250 PolarHBondContact O-N 3.28Å; R246-Q250 VanDerWaalsContact O-N 3.14Å
247	Y	78	Confident	74.2	Confident	134 Å²	134	117.7 Å²	117.7	53%	0.525	62%	0.622	S	S	.	*	H	α-helix	trans	-65.8	-38.4	176.5	-177	-101.9	0	0	0	112.2	L243 F244 I245 K251	L243-Y247 WeakPolarHBondContact O-CB 3.49Å; L243-Y247 PolarHBondContact O-N 3.15Å; F244-Y247 PolarHBondContact O-N 3.14Å; I245-Y247 VanDerWaalsContact C-N 3.34Å; I245-Y247 PolarHBondContact O-N 2.93Å; Y247-K251 HydrophobicContact CE1-CD 4.35Å; Y247-K251 VanDerWaalsContact CZ-CE 3.44Å; Y247-K251 VanDerWaalsContact OH-CE 3.26Å; Y247-K251 WeakPolarHBondContact OH-CE 3.44Å; Y247-K251 PolarHBondContact OH-NZ 3.41Å
248	R	75.6	Confident	72.3	Confident	168 Å²	168	119.6 Å²	119.6	63%	0.634	64%	0.641	S	S	*	*	H	α-helix	trans	-67.8	-38.1	173.9	-77.2	-86.7	-173.2	149.2	-1.1	112.2	F244 I245 Q250 K251	F244-R248 HydrophobicContact CD1-CG 4.3Å; F244-R248 HydrophobicContact CE1-CG 3.95Å; F244-R248 HydrophobicContact CZ-CG 4.14Å; F244-R248 WeakPolarHBondContact O-CB 3.09Å; F244-R248 WeakPolarHBondContact O-CG 3.32Å; F244-R248 PolarHBondContact O-N 3.12Å; I245-R248 PolarHBondContact O-N 2.89Å; R248-Q250 VanDerWaalsContact C-N 3.34Å; R248-Q250 PolarHBondContact O-N 3.47Å; R248-K251 CarbonylContact O-C 3.58Å; R248-K251 PolarHBondContact O-N 2.93Å; R248-K251 VanDerWaalsContact O-N 3.16Å
249	S	68	Low	70.2	Confident	86 Å²	86	117.9 Å²	117.9	60%	0.601	65%	0.653	S	S	*	*	H	α-helix	trans	-71.2	-28.4	179.4	83.2	0	0	0	0	113.1	I245 R246 K251	I245-S249 PolarHBondContact O-N 3.45Å; R246-S249 PolarHBondContact O-N 2.93Å; R246-S249 PolarHBondContact O-OG 3.42Å; R246-S249 VanDerWaalsContact O-OG 3.11Å; S249-K251 PolarHBondContact O-N 3.16Å
250	Q	64.9	Low	68	Low	157 Å²	157	115.9 Å²	115.9	73%	0.734	66%	0.662	S	S	*	*	H	α-helix	trans	-72.2	-16.4	172.4	-72.1	-175.9	7.1	0	0	112.9	R246 R248	R246-Q250 WeakPolarHBondContact O-CG 3.4Å; R246-Q250 PolarHBondContact O-N 3.28Å; R246-Q250 VanDerWaalsContact O-N 3.14Å; R248-Q250 VanDerWaalsContact C-N 3.34Å; R248-Q250 PolarHBondContact O-N 3.47Å
251	K	60.8	Low	66	Low	132 Å²	132	121.4 Å²	121.4	57%	0.574	68%	0.681	S	S	*	*	S	Bend	trans	-100.2	69.5	170.9	-65.2	-171.6	-177	-178	0	110.1	Y247 R248 S249	Y247-K251 HydrophobicContact CE1-CD 4.35Å; Y247-K251 VanDerWaalsContact CZ-CE 3.44Å; Y247-K251 VanDerWaalsContact OH-CE 3.26Å; Y247-K251 WeakPolarHBondContact OH-CE 3.44Å; Y247-K251 PolarHBondContact OH-NZ 3.41Å; R248-K251 CarbonylContact O-C 3.58Å; R248-K251 PolarHBondContact O-N 2.93Å; R248-K251 VanDerWaalsContact O-N 3.16Å; S249-K251 PolarHBondContact O-N 3.16Å
252	G	53.9	Low	63.7	Low	52 Å²	52	124.4 Å²	124.4	54%	0.536	70%	0.697	S	S	.	*			trans	-58.5	155.7	169.7	0	0	0	0	0	112.3	R254	G252-R254 PolarHBondContact O-N 3.36Å
253	P	55.5	Low	61.5	Low	133 Å²	133	135.1 Å²	135.1	86%	0.864	74%	0.737	S	S	*	*			trans	-66.7	129.7	-173.5	-4.3	18	0	0	0	110.9	G255	P253-G255 PolarHBondContact O-N 2.95Å; P253-G255 VanDerWaalsContact O-N 3.09Å
254	R	52.7	Low	60.2	Low	251 Å²	251	136 Å²	136	95%	0.947	74%	0.743	S	S	*	*			trans	-71.4	100.9	165.2	-68.7	-177.1	-165.3	162.9	2.8	107.9	G252	G252-R254 PolarHBondContact O-N 3.36Å
255	G	54.8	Low	58.9	Low	64 Å²	64	137.4 Å²	137.4	66%	0.66	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.7	149.8	170.7	0	0	0	0	0	111.6	P253	P253-G255 PolarHBondContact O-N 2.95Å; P253-G255 VanDerWaalsContact O-N 3.09Å
256	P	57.1	Low	57.4	Low	121 Å²	121	138.7 Å²	138.7	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75.4	153.6	179.5	30.1	-30.2	0	0	0	111.7
257	P	54.4	Low	56	Low	123 Å²	123	136.4 Å²	136.4	80%	0.799	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76.9	146	-174.8	31.2	-32.7	0	0	0	111.7
258	P	50.8	Low	54.6	Low	129 Å²	129	136.6 Å²	136.6	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.4	133	174.1	30.2	-30.3	0	0	0	111.3
259	A	46.9	Very low	53.2	Low	108 Å²	108	134.5 Å²	134.5	89%	0.893	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.1	120.4	163.8	0	0	0	0	0	109.1
260	G	45.4	Very low	52.1	Low	82 Å²	82	137.9 Å²	137.9	85%	0.845	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.8	145.5	167.9	0	0	0	0	0	111
261	L	48.3	Very low	51.1	Low	156 Å²	156	136.5 Å²	136.5	82%	0.817	82%	0.817	S	S	*	*			trans	-123.2	144.4	174.3	-135.8	146.4	0	0	0	108.1
262	L	42.3	Very low	50.3	Low	158 Å²	158	136.8 Å²	136.8	83%	0.827	84%	0.837	S	S	*	*			trans	79.1	103.1	168.3	-55	171.5	0	0	0	118.2
263	Q	42.2	Very low	50	Low	265 Å²	265	144.5 Å²	144.5	100%	1.238	87%	0.865	S	S	*	*				-153.9	0	96.1	-150.2	167.6	-0.2	0	0	110.6

Retrieved 263 of 263 residues in 111.2 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).