A0A077ZKT4_TRITR Loading...

Piwi domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 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	79.4	Confident	87.7	Confident	156 Å²	156	112.8 Å²	112.8	77%	0.768	63%	0.626	S	S	*	*				0	158.9	0	-74.9	-167.8	-70.1	0	0	109.2	V17 E18	M1-V17 HydrophobicContact CE-CB 4.23Å; M1-V17 HydrophobicContact CE-CG1 4.38Å; M1-E18 HydrophobicContact CE-CG 3.51Å; M1-E18 WeakPolarHBondContact CE-OE1 3.23Å
2	P	90.5	Very high	87.8	Confident	110 Å²	110	106.2 Å²	106.2	71%	0.714	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-59.3	151.6	167.9	24.7	-32	0	0	0	110.6	V17	P2-V17 WeakPolarHBondContact O-CG2 3.44Å
3	V	92.1	Very high	88.1	Confident	82 Å²	82	102.1 Å²	102.1	50%	0.497	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-87.8	153.2	175	-67.6	0	0	0	0	111.1	Y14 L15	V3-Y14 HydrophobicContact CG2-CD1 3.92Å; V3-Y14 HydrophobicContact CG2-CG 4.4Å; V3-L15 CarbonylContact C-O 3.58Å; V3-L15 WeakPolarHBondContact CA-O 3.41Å
4	L	92	Very high	88.5	Confident	83 Å²	83	105.1 Å²	105.1	44%	0.435	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.4	129.6	170.8	-67.5	172.1	0	0	0	110.1	Y14 L15 V17 C20	L4-Y14 WeakPolarHBondContact O-CA 3.48Å; L4-L15 PolarHBondContact N-O 3.11Å; L4-L15 PolarHBondContact O-N 3.31Å; L4-V17 HydrophobicContact CD1-CG2 4.28Å; L4-V17 HydrophobicContact CD2-CG2 4.45Å; L4-V17 HydrophobicContact CG-CG2 3.88Å; L4-C20 HydrophobicContact CD1-CB 3.78Å
5	Q	92	Very high	88.8	Confident	109 Å²	109	102.9 Å²	102.9	51%	0.509	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	119.9	170.2	-173.7	-178	13.4	0	0	109.2	S12 Y14	Q5-S12 PolarHBondContact NE2-OG 3.36Å; Q5-Y14 HydrophobicContact CB-CD1 4.37Å; Q5-Y14 HydrophobicContact CB-CE1 4.23Å; Q5-Y14 HydrophobicContact CG-CE1 4.05Å
6	A	90.7	Very high	89.2	Confident	40 Å²	40	100.2 Å²	100.2	33%	0.331	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	145.8	173.5	0	0	0	0	0	110.6	A13 L15	A6-A13 PolarHBondContact N-O 3.12Å; A6-A13 PolarHBondContact O-N 3.23Å; A6-L15 HydrophobicContact CB-CD1 3.99Å
7	G	87.9	Confident	89.6	Confident	73 Å²	73	97.5 Å²	97.5	75%	0.753	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	92.4	-165	-178.2	0	0	0	0	0	113.8
8	S	87.8	Confident	89.9	Confident	59 Å²	59	99 Å²	99	41%	0.413	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	162.3	179.1	73	0	0	0	0	111.2	S10 R11 S12	S8-S10 PolarHBondContact O-N 2.76Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S8-S10 PolarHBondContact OG-N 3.35Å; S8-S10 PolarHBondContact OG-OG 3.14Å; S8-R11 CarbonylContact O-C 3.19Å; S8-R11 PolarHBondContact O-N 3.3Å; S8-R11 PolarHBondContact OG-N 3.46Å; S8-R11 VanDerWaalsContact OG-N 3.1Å; S8-S12 PolarHBondContact O-N 3.12Å; S8-S12 PolarHBondContact O-OG 2.86Å
9	K	83.9	Confident	90.1	Very high	203 Å²	203	99.3 Å²	99.3	88%	0.883	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.2	172	-75.4	-172.3	177	-177.5	0	113.2	S12	K9-S12 PolarHBondContact O-OG 3.04Å
10	S	84.9	Confident	90.4	Very high	111 Å²	111	96.4 Å²	96.4	78%	0.776	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-21.3	-179.5	57.1	0	0	0	0	114.1	S8	S8-S10 PolarHBondContact O-N 2.76Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S8-S10 PolarHBondContact OG-N 3.35Å; S8-S10 PolarHBondContact OG-OG 3.14Å
11	R	83.8	Confident	90.5	Very high	215 Å²	215	99.4 Å²	99.4	81%	0.811	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.4	76.6	174.6	-74.3	-170.4	-178	-177.3	1.3	109.4	S8	S8-R11 CarbonylContact O-C 3.19Å; S8-R11 PolarHBondContact O-N 3.3Å; S8-R11 PolarHBondContact OG-N 3.46Å; S8-R11 VanDerWaalsContact OG-N 3.1Å
12	S	89.3	Confident	91.1	Very high	33 Å²	33	98.3 Å²	98.3	23%	0.231	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	127	-177.5	-59	0	0	0	0	111.1	Q5 S8 K9	Q5-S12 PolarHBondContact NE2-OG 3.36Å; S8-S12 PolarHBondContact O-N 3.12Å; S8-S12 PolarHBondContact O-OG 2.86Å; K9-S12 PolarHBondContact O-OG 3.04Å
13	A	90.8	Very high	91.2	Very high	53 Å²	53	96.1 Å²	96.1	44%	0.438	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.3	162.8	0	0	0	0	0	108.7	A6	A6-A13 PolarHBondContact N-O 3.12Å; A6-A13 PolarHBondContact O-N 3.23Å
14	Y	93.7	Very high	91.3	Very high	145 Å²	145	100.4 Å²	100.4	57%	0.569	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	179	-62.2	-80.6	0	0	0	109.2	V3 L4 Q5	V3-Y14 HydrophobicContact CG2-CD1 3.92Å; V3-Y14 HydrophobicContact CG2-CG 4.4Å; L4-Y14 WeakPolarHBondContact O-CA 3.48Å; Q5-Y14 HydrophobicContact CB-CD1 4.37Å; Q5-Y14 HydrophobicContact CB-CE1 4.23Å; Q5-Y14 HydrophobicContact CG-CE1 4.05Å
15	L	94.1	Very high	91.3	Very high	72 Å²	72	106.4 Å²	106.4	38%	0.377	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	128.2	-174.4	-59.5	171.8	0	0	0	109.4	V3 L4 A6 V17	V3-L15 CarbonylContact C-O 3.58Å; V3-L15 WeakPolarHBondContact CA-O 3.41Å; L4-L15 PolarHBondContact N-O 3.11Å; L4-L15 PolarHBondContact O-N 3.31Å; A6-L15 HydrophobicContact CB-CD1 3.99Å; L15-V17 PolarHBondContact O-N 3.43Å
16	P	95.2	Very high	91.2	Very high	59 Å²	59	107.4 Å²	107.4	38%	0.383	59%	0.585	S	S	.	*			trans	-55.4	140	167.1	-22.2	32	0	0	0	110.8	E18 V19 C20	P16-E18 WeakPolarHBondContact CB-OE2 3.3Å; P16-E18 PolarHBondContact O-N 3.36Å; P16-V19 HydrophobicContact CB-CG2 4.1Å; P16-V19 HydrophobicContact CG-CG2 4.27Å; P16-V19 WeakPolarHBondContact O-CG2 3.47Å; P16-V19 PolarHBondContact O-N 2.86Å; P16-C20 PolarHBondContact O-SG 3.22Å
17	V	94.7	Very high	91.1	Very high	55 Å²	55	116.9 Å²	116.9	33%	0.333	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-62.9	-33	-179.5	173	0	0	0	0	110.4	M1 P2 L4 L15 V19 C20	M1-V17 HydrophobicContact CE-CB 4.23Å; M1-V17 HydrophobicContact CE-CG1 4.38Å; P2-V17 WeakPolarHBondContact O-CG2 3.44Å; L4-V17 HydrophobicContact CD1-CG2 4.28Å; L4-V17 HydrophobicContact CD2-CG2 4.45Å; L4-V17 HydrophobicContact CG-CG2 3.88Å; L15-V17 PolarHBondContact O-N 3.43Å; V17-V19 PolarHBondContact O-N 2.89Å; V17-C20 PolarHBondContact O-N 3.1Å; V17-C20 VanDerWaalsContact O-N 3.07Å
18	E	95.4	Very high	91.1	Very high	124 Å²	124	119.7 Å²	119.7	58%	0.579	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-63.3	-21.1	-178.9	-57	85.7	168.8	0	0	113.2	M1 P16	M1-E18 HydrophobicContact CE-CG 3.51Å; M1-E18 WeakPolarHBondContact CE-OE1 3.23Å; P16-E18 WeakPolarHBondContact CB-OE2 3.3Å; P16-E18 PolarHBondContact O-N 3.36Å
19	V	94.5	Very high	90.6	Very high	104 Å²	104	120.4 Å²	120.4	63%	0.63	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-102.7	5.2	177.6	-56.7	0	0	0	0	113.1	P16 V17	P16-V19 HydrophobicContact CB-CG2 4.1Å; P16-V19 HydrophobicContact CG-CG2 4.27Å; P16-V19 WeakPolarHBondContact O-CG2 3.47Å; P16-V19 PolarHBondContact O-N 2.86Å; V17-V19 PolarHBondContact O-N 2.89Å
20	C	94.6	Very high	90.1	Very high	41 Å²	41	115 Å²	115	28%	0.277	61%	0.612	S	S	.	*			trans	-107.7	134	-175.9	-66.1	0	0	0	0	111.9	L4 P16 V17	L4-C20 HydrophobicContact CD1-CB 3.78Å; P16-C20 PolarHBondContact O-SG 3.22Å; V17-C20 PolarHBondContact O-N 3.1Å; V17-C20 VanDerWaalsContact O-N 3.07Å
21	N	94.3	Very high	89.6	Confident	161 Å²	161	112.1 Å²	112.1	86%	0.861	60%	0.599	S	S	*	*			trans	-112.1	143.4	169.6	-71.8	-46.7	0	0	0	110.4	A23	N21-A23 PolarHBondContact O-N 3.2Å
22	V	91.4	Very high	89.3	Confident	132 Å²	132	111.2 Å²	111.2	80%	0.8	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-72.1	121.3	172.8	-178.6	0	0	0	0	108.6	Q24	V22-Q24 PolarHBondContact O-N 3.17Å
23	A	92.3	Very high	89.2	Confident	64 Å²	64	112.4 Å²	112.4	53%	0.529	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-58.8	138.7	177.5	0	0	0	0	0	110.9	N21 Q26	N21-A23 PolarHBondContact O-N 3.2Å; A23-Q26 HydrophobicContact CB-CG 4.45Å; A23-Q26 WeakPolarHBondContact O-CG 3.47Å; A23-Q26 PolarHBondContact O-NE2 2.8Å
24	Q	94.4	Very high	89	Confident	173 Å²	173	112.5 Å²	112.5	81%	0.808	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	162.2	-177.2	-63.5	-173.6	-2	0	0	112.1	V22 Q26	V22-Q24 PolarHBondContact O-N 3.17Å; Q24-Q26 PolarHBondContact O-N 3.01Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å
25	K	91.6	Very high	88.5	Confident	209 Å²	209	111.2 Å²	111.2	91%	0.909	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	21.1	173.3	-54.6	178.5	-177.4	177.3	0	115.1
26	Q	90.1	Very high	88.2	Confident	129 Å²	129	115.6 Å²	115.6	60%	0.603	61%	0.612	S	S	*	*			trans	-76.1	125.7	172.3	-68.1	-174	78.9	0	0	110.7	A23 Q24 Y28	A23-Q26 HydrophobicContact CB-CG 4.45Å; A23-Q26 WeakPolarHBondContact O-CG 3.47Å; A23-Q26 PolarHBondContact O-NE2 2.8Å; Q24-Q26 PolarHBondContact O-N 3.01Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-Y28 PolarHBondContact O-N 2.9Å
27	R	89.5	Confident	88	Confident	239 Å²	239	116.5 Å²	116.5	90%	0.902	61%	0.611	S	S	*	*			trans	-63.5	130.3	172.2	-179.3	178.7	177.2	176.7	0	109.1	G29	R27-G29 PolarHBondContact O-N 2.83Å
28	Y	86.2	Confident	87.7	Confident	133 Å²	133	118.9 Å²	118.9	52%	0.522	61%	0.614	S	S	.	*			trans	-63.4	111.3	171.9	-176.7	-98.1	0	0	0	110.5	Q26 A30 G31 L33	Q26-Y28 PolarHBondContact O-N 2.9Å; Y28-A30 HydrophobicContact CE2-CB 3.99Å; Y28-G31 WeakPolarHBondContact CE1-O 3.44Å; Y28-L33 HydrophobicContact CD1-CD2 3.98Å; Y28-L33 HydrophobicContact CE1-CD2 3.93Å
29	G	78.8	Confident	87.4	Confident	74 Å²	74	117.3 Å²	117.3	76%	0.763	61%	0.613	S	S	*	*			trans	-115.4	-2.6	-177.9	0	0	0	0	0	115	R27 G31	R27-G29 PolarHBondContact O-N 2.83Å; G29-G31 PolarHBondContact O-N 2.69Å
30	A	73.1	Confident	87.2	Confident	90 Å²	90	116 Å²	116	74%	0.744	60%	0.602	S	S	*	*	S	Bend	trans	-73.7	-7.5	-169.2	0	0	0	0	0	115	Y28	Y28-A30 HydrophobicContact CE2-CB 3.99Å
31	G	73.2	Confident	87	Confident	49 Å²	49	117.4 Å²	117.4	51%	0.505	61%	0.609	S	S	.	*	S	Bend	trans	153	-164.6	176.1	0	0	0	0	0	114.2	Y28 G29	Y28-G31 WeakPolarHBondContact CE1-O 3.44Å; G29-G31 PolarHBondContact O-N 2.69Å
32	R	79.1	Confident	86.6	Confident	197 Å²	197	115.2 Å²	115.2	74%	0.743	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-73.3	134.1	171.9	-72.8	-178.7	174.7	178.8	-2.3	109.4
33	L	86.5	Confident	86.3	Confident	58 Å²	58	119 Å²	119	30%	0.304	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-54.4	143.7	170	-66.4	177.8	0	0	0	110.9	Y28 Q37 R38 V41	Y28-L33 HydrophobicContact CD1-CD2 3.98Å; Y28-L33 HydrophobicContact CE1-CD2 3.93Å; L33-Q37 HydrophobicContact CB-CB 4.09Å; L33-Q37 HydrophobicContact CD2-CB 4.33Å; L33-R38 HydrophobicContact CB-CG 3.6Å; L33-R38 HydrophobicContact CD1-CG 4.42Å; L33-R38 PolarHBondContact O-NE 3.2Å; L33-V41 HydrophobicContact CD1-CG2 4.15Å
34	S	85.9	Confident	86	Confident	55 Å²	55	123.5 Å²	123.5	39%	0.385	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-62	163.1	174.4	78.9	0	0	0	0	111.4	Y36 Q37 R38	S34-Y36 PolarHBondContact O-N 2.67Å; S34-Q37 PolarHBondContact O-N 3.14Å; S34-Q37 WeakPolarHBondContact OG-CG 3.3Å; S34-Q37 PolarHBondContact OG-N 3.41Å; S34-Q37 VanDerWaalsContact OG-N 3.16Å; S34-Q37 PolarHBondContact OG-OE1 3.08Å; S34-R38 WeakPolarHBondContact O-CB 3.35Å; S34-R38 WeakPolarHBondContact O-CG 3.48Å; S34-R38 PolarHBondContact O-N 3.03Å
35	N	83.3	Confident	85.7	Confident	117 Å²	117	119 Å²	119	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-58	-39.2	177	-73.7	-17.7	0	0	0	112.2	R38 T39	N35-R38 PolarHBondContact OD1-NH2 3.33Å; N35-T39 WeakPolarHBondContact O-CB 3.38Å; N35-T39 PolarHBondContact O-N 3.38Å; N35-T39 PolarHBondContact O-OG1 2.88Å
36	Y	89	Confident	85.4	Confident	164 Å²	164	111.5 Å²	111.5	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-51.5	176.4	177.1	-107.2	0	0	0	111.5	S34 R38 T39 L40	S34-Y36 PolarHBondContact O-N 2.67Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.77Å; Y36-T39 WeakPolarHBondContact O-CB 3.45Å; Y36-T39 PolarHBondContact O-N 3.03Å; Y36-T39 VanDerWaalsContact O-N 3.14Å; Y36-L40 HydrophobicContact CD1-CD1 3.91Å; Y36-L40 HydrophobicContact CE1-CD1 3.35Å; Y36-L40 HydrophobicContact CE1-CG 4.31Å; Y36-L40 HydrophobicContact CE2-CD1 4.25Å; Y36-L40 HydrophobicContact CE2-CG 4.42Å; Y36-L40 PolarHBondContact O-N 3.34Å
37	Q	91	Very high	85.4	Confident	79 Å²	79	108.3 Å²	108.3	37%	0.369	56%	0.556	S	S	.	*	H	α-helix	trans	-60.3	-42.4	178.1	-72.4	168.3	-29.1	0	0	112	L33 S34 T39 L40 V41	L33-Q37 HydrophobicContact CB-CB 4.09Å; L33-Q37 HydrophobicContact CD2-CB 4.33Å; S34-Q37 PolarHBondContact O-N 3.14Å; S34-Q37 WeakPolarHBondContact OG-CG 3.3Å; S34-Q37 PolarHBondContact OG-N 3.41Å; S34-Q37 VanDerWaalsContact OG-N 3.16Å; S34-Q37 PolarHBondContact OG-OE1 3.08Å; Q37-T39 VanDerWaalsContact C-N 3.33Å; Q37-T39 PolarHBondContact O-N 3.25Å; Q37-L40 PolarHBondContact O-N 2.88Å; Q37-V41 WeakPolarHBondContact O-CG2 3.45Å; Q37-V41 PolarHBondContact O-N 2.83Å
38	R	87.7	Confident	85.6	Confident	104 Å²	104	98.8 Å²	98.8	39%	0.392	52%	0.523	S	S	.	.	H	α-helix	trans	-59.4	-44	175.1	-76.1	-174.6	-81	-163.6	-3.6	111.9	L33 S34 N35 Y36 L40 V41 I42	L33-R38 HydrophobicContact CB-CG 3.6Å; L33-R38 HydrophobicContact CD1-CG 4.42Å; L33-R38 PolarHBondContact O-NE 3.2Å; S34-R38 WeakPolarHBondContact O-CB 3.35Å; S34-R38 WeakPolarHBondContact O-CG 3.48Å; S34-R38 PolarHBondContact O-N 3.03Å; N35-R38 PolarHBondContact OD1-NH2 3.33Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.77Å; R38-L40 VanDerWaalsContact C-N 3.35Å; R38-V41 PolarHBondContact O-N 2.91Å; R38-I42 WeakPolarHBondContact O-CB 3.48Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 WeakPolarHBondContact O-CG1 3.32Å; R38-I42 PolarHBondContact O-N 3.01Å
39	T	88.4	Confident	85.9	Confident	92 Å²	92	92.4 Å²	92.4	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-43.1	179.1	-56.9	0	0	0	0	111.2	N35 Y36 Q37 I42 R43	N35-T39 WeakPolarHBondContact O-CB 3.38Å; N35-T39 PolarHBondContact O-N 3.38Å; N35-T39 PolarHBondContact O-OG1 2.88Å; Y36-T39 WeakPolarHBondContact O-CB 3.45Å; Y36-T39 PolarHBondContact O-N 3.03Å; Y36-T39 VanDerWaalsContact O-N 3.14Å; Q37-T39 VanDerWaalsContact C-N 3.33Å; Q37-T39 PolarHBondContact O-N 3.25Å; T39-I42 PolarHBondContact O-N 3.41Å; T39-R43 WeakPolarHBondContact O-CB 3.45Å; T39-R43 PolarHBondContact O-N 3.04Å
40	L	91.4	Very high	86.5	Confident	77 Å²	77	89.7 Å²	89.7	40%	0.403	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-51	174.9	-75.1	173.1	0	0	0	111.9	Y36 Q37 R38 I42 R43 Q44	Y36-L40 HydrophobicContact CD1-CD1 3.91Å; Y36-L40 HydrophobicContact CE1-CD1 3.35Å; Y36-L40 HydrophobicContact CE1-CG 4.31Å; Y36-L40 HydrophobicContact CE2-CD1 4.25Å; Y36-L40 HydrophobicContact CE2-CG 4.42Å; Y36-L40 PolarHBondContact O-N 3.34Å; Q37-L40 PolarHBondContact O-N 2.88Å; R38-L40 VanDerWaalsContact C-N 3.35Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.34Å; L40-R43 PolarHBondContact O-N 3.22Å; L40-Q44 WeakPolarHBondContact O-CB 3.4Å; L40-Q44 PolarHBondContact O-N 3.47Å
41	V	90.1	Very high	87.5	Confident	70 Å²	70	87.6 Å²	87.6	42%	0.424	45%	0.445	S	S	.	.	H	α-helix	trans	-59.7	-44.7	179	172	0	0	0	0	111.1	L33 Q37 R38 R43 Q44 C45	L33-V41 HydrophobicContact CD1-CG2 4.15Å; Q37-V41 WeakPolarHBondContact O-CG2 3.45Å; Q37-V41 PolarHBondContact O-N 2.83Å; R38-V41 PolarHBondContact O-N 2.91Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.49Å; V41-Q44 PolarHBondContact O-N 3.16Å; V41-C45 WeakPolarHBondContact O-CB 3.32Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.1Å
42	I	86.1	Confident	88.4	Confident	115 Å²	115	89.5 Å²	89.5	59%	0.59	44%	0.437	S	S	*	.	H	α-helix	trans	-59.7	-46.1	177.2	-71.1	165.3	0	0	0	110.6	R38 T39 L40 Q44 C45 A46	R38-I42 WeakPolarHBondContact O-CB 3.48Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 WeakPolarHBondContact O-CG1 3.32Å; R38-I42 PolarHBondContact O-N 3.01Å; T39-I42 PolarHBondContact O-N 3.41Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 PolarHBondContact O-N 3.34Å; I42-Q44 VanDerWaalsContact C-N 3.27Å; I42-Q44 PolarHBondContact O-N 3.47Å; I42-C45 PolarHBondContact O-N 3.31Å; I42-A46 WeakPolarHBondContact O-CB 3.32Å; I42-A46 PolarHBondContact O-N 3.33Å
43	R	84.9	Confident	89	Confident	210 Å²	210	80.7 Å²	80.7	79%	0.792	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-36.6	-179.8	-166.4	179.3	-165.5	175.1	3.7	112	T39 L40 V41	T39-R43 WeakPolarHBondContact O-CB 3.45Å; T39-R43 PolarHBondContact O-N 3.04Å; L40-R43 PolarHBondContact O-N 3.22Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.49Å
44	Q	86.2	Confident	89.2	Confident	159 Å²	159	83.2 Å²	83.2	74%	0.743	42%	0.415	S	S	*	.	H	α-helix	trans	-82	-29.1	-177.4	-164.8	160.5	1.1	0	0	113.3	L40 V41 I42	L40-Q44 WeakPolarHBondContact O-CB 3.4Å; L40-Q44 PolarHBondContact O-N 3.47Å; V41-Q44 PolarHBondContact O-N 3.16Å; I42-Q44 VanDerWaalsContact C-N 3.27Å; I42-Q44 PolarHBondContact O-N 3.47Å
45	C	86.7	Confident	89.5	Confident	80 Å²	80	84.3 Å²	84.3	54%	0.541	42%	0.415	S	S	.	.	H	α-helix	trans	-92.7	-12.8	178.1	-62.5	0	0	0	0	113.9	V41 I42 M47	V41-C45 WeakPolarHBondContact O-CB 3.32Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.1Å; I42-C45 PolarHBondContact O-N 3.31Å; C45-M47 PolarHBondContact O-N 3.21Å
46	A	85.5	Confident	89.8	Confident	51 Å²	51	81 Å²	81	42%	0.421	40%	0.4	S	S	.	.			trans	-74.8	109.5	178.6	0	0	0	0	0	110.2	I42	I42-A46 WeakPolarHBondContact O-CB 3.32Å; I42-A46 PolarHBondContact O-N 3.33Å
47	M	90.8	Very high	89.8	Confident	61 Å²	61	74.5 Å²	74.5	30%	0.3	38%	0.378	S	S	.	.			trans	-131.7	142.7	180	-68.8	161.7	163.2	0	0	109.5	C45 R52 M55 G443 T444	C45-M47 PolarHBondContact O-N 3.21Å; M47-R52 HydrophobicContact CB-CB 4.49Å; M47-M55 HydrophobicContact CE-CE 4.05Å; M47-M55 HydrophobicContact CE-SD 3.4Å; M47-M55 WeakPolarHBondContact CE-SD 3.42Å; M47-M55 HydrophobicContact SD-CE 4.35Å; M47-M55 HydrophobicContact SD-SD 3.32Å; M47-G443 CarbonylContact O-C 3.15Å; M47-G443 WeakPolarHBondContact O-CA 3.5Å; M47-T444 PolarHBondContact O-N 3.09Å; M47-T444 PolarHBondContact O-OG1 2.84Å
48	D	93.2	Very high	89.9	Confident	39 Å²	39	74.6 Å²	74.6	21%	0.209	38%	0.378	C	S	.	.			trans	-62.9	162.8	174	61.7	96.7	0	0	0	111.8	P50 T51 R52 G412 R413	D48-P50 WeakPolarHBondContact OD1-CD 3.34Å; D48-T51 PolarHBondContact O-N 2.8Å; D48-T51 PolarHBondContact OD1-N 3.3Å; D48-T51 PolarHBondContact OD1-OG1 3.02Å; D48-T51 WeakPolarHBondContact OD2-CB 3.39Å; D48-T51 PolarHBondContact OD2-OG1 3.47Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 2.78Å; D48-G412 WeakPolarHBondContact CA-O 3.35Å; D48-G412 WeakPolarHBondContact CB-O 3.35Å; D48-R413 IonicContact OD1-CZ 3.54Å; D48-R413 IonicContact OD1-NE 3.06Å; D48-R413 PolarHBondContact OD1-NE 3.42Å; D48-R413 IonicContact OD1-NH2 2.66Å; D48-R413 PolarHBondContact OD1-NH2 3.34Å
49	A	92.5	Very high	90.1	Very high	0 Å²	0	76 Å²	76	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-48.7	-170.2	0	0	0	0	0	113.5	R52 L53 M401 G412 T444	A49-R52 PolarHBondContact O-N 2.92Å; A49-L53 WeakPolarHBondContact O-CD1 3.47Å; A49-L53 PolarHBondContact O-N 3.08Å; A49-M401 HydrophobicContact CB-CB 4.35Å; A49-G412 PolarHBondContact N-O 3.39Å; A49-T444 HydrophobicContact CB-CG2 3.72Å
50	P	92.8	Very high	90.1	Very high	16 Å²	16	75.7 Å²	75.7	10%	0.104	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-45.6	177.9	-25.8	36.9	0	0	0	112.9	D48 R52 L53 Q54 R413	D48-P50 WeakPolarHBondContact OD1-CD 3.34Å; P50-R52 VanDerWaalsContact C-N 3.32Å; P50-R52 PolarHBondContact O-N 3.35Å; P50-L53 PolarHBondContact O-N 3.46Å; P50-Q54 WeakPolarHBondContact O-CB 3.17Å; P50-Q54 PolarHBondContact O-N 3.1Å; P50-R413 HydrophobicContact CG-CB 4.09Å
51	T	93.1	Very high	89.9	Confident	46 Å²	46	80 Å²	80	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-39.9	178.2	-64	0	0	0	0	112	D48 L53 Q54 M55	D48-T51 PolarHBondContact O-N 2.8Å; D48-T51 PolarHBondContact OD1-N 3.3Å; D48-T51 PolarHBondContact OD1-OG1 3.02Å; D48-T51 WeakPolarHBondContact OD2-CB 3.39Å; D48-T51 PolarHBondContact OD2-OG1 3.47Å; T51-L53 VanDerWaalsContact C-N 3.35Å; T51-L53 PolarHBondContact O-N 3Å; T51-Q54 PolarHBondContact O-N 2.66Å; T51-M55 WeakPolarHBondContact O-CG 3.33Å; T51-M55 PolarHBondContact O-N 2.97Å
52	R	91.8	Very high	90	Very high	89 Å²	89	87.5 Å²	87.5	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-59.9	-45.3	175.1	-179.5	174.6	-179.5	78.7	10.5	111.8	M47 D48 A49 P50 M55 C56 T444	M47-R52 HydrophobicContact CB-CB 4.49Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 2.78Å; A49-R52 PolarHBondContact O-N 2.92Å; P50-R52 VanDerWaalsContact C-N 3.32Å; P50-R52 PolarHBondContact O-N 3.35Å; R52-M55 PolarHBondContact O-N 3.01Å; R52-C56 PolarHBondContact O-N 3.24Å; R52-C56 VanDerWaalsContact O-N 3.11Å; R52-T444 WeakPolarHBondContact CB-OG1 3.38Å; R52-T444 WeakPolarHBondContact CD-OG1 3.39Å
53	L	91.3	Very high	90.2	Very high	12 Å²	12	84.7 Å²	84.7	6%	0.063	41%	0.41	C	S	.	.	H	α-helix	trans	-70.2	-38.2	179.9	-93.6	71.6	0	0	0	111.1	A49 P50 T51 M55 C56 T57 Y82 R399 M401	A49-L53 WeakPolarHBondContact O-CD1 3.47Å; A49-L53 PolarHBondContact O-N 3.08Å; P50-L53 PolarHBondContact O-N 3.46Å; T51-L53 VanDerWaalsContact C-N 3.35Å; T51-L53 PolarHBondContact O-N 3Å; L53-M55 VanDerWaalsContact C-N 3.33Å; L53-M55 PolarHBondContact O-N 3.27Å; L53-C56 PolarHBondContact O-N 2.71Å; L53-C56 VanDerWaalsContact O-N 3.16Å; L53-T57 PolarHBondContact O-N 3.38Å; L53-T57 PolarHBondContact O-OG1 3.43Å; L53-Y82 VanDerWaalsContact C-OH 3.32Å; L53-Y82 WeakPolarHBondContact CA-OH 3.45Å; L53-Y82 HydrophobicContact CB-CE2 3.75Å; L53-Y82 HydrophobicContact CD2-CD1 4.38Å; L53-Y82 HydrophobicContact CD2-CD2 4.22Å; L53-Y82 HydrophobicContact CD2-CE1 4.21Å; L53-Y82 HydrophobicContact CD2-CE2 4.02Å; L53-Y82 HydrophobicContact CD2-CG 4.4Å; L53-Y82 HydrophobicContact CG-CE1 4.18Å; L53-Y82 HydrophobicContact CG-CE2 4.02Å; L53-Y82 PolarHBondContact O-OH 3.49Å; L53-R399 HydrophobicContact CD1-CB 4.25Å; L53-M401 HydrophobicContact CB-SD 3.98Å; L53-M401 HydrophobicContact CD2-CB 3.99Å; L53-M401 HydrophobicContact CD2-CG 3.56Å; L53-M401 HydrophobicContact CD2-SD 3.53Å; L53-M401 VanDerWaalsContact CD2-SD 3.53Å; L53-M401 HydrophobicContact CG-SD 4.32Å
54	Q	91.8	Very high	90.4	Very high	111 Å²	111	80.1 Å²	80.1	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-57.1	-47.1	172.4	-175.9	-176.4	-15.6	0	0	111.6	P50 T51 C56 T57 E58	P50-Q54 WeakPolarHBondContact O-CB 3.17Å; P50-Q54 PolarHBondContact O-N 3.1Å; T51-Q54 PolarHBondContact O-N 2.66Å; Q54-C56 VanDerWaalsContact C-N 3.3Å; Q54-C56 PolarHBondContact O-N 3.05Å; Q54-T57 WeakPolarHBondContact O-CA 3.29Å; Q54-T57 WeakPolarHBondContact O-CB 3.29Å; Q54-T57 PolarHBondContact O-N 3.4Å; Q54-E58 PolarHBondContact NE2-OE1 3.01Å; Q54-E58 WeakPolarHBondContact O-CG 3.5Å; Q54-E58 PolarHBondContact O-N 2.88Å
55	M	91.5	Very high	90.5	Very high	79 Å²	79	74.8 Å²	74.8	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-38.3	176.7	-73.5	-175.2	71.6	0	0	112.7	M47 T51 R52 L53 T57 E58 M59	M47-M55 HydrophobicContact CE-CE 4.05Å; M47-M55 HydrophobicContact CE-SD 3.4Å; M47-M55 WeakPolarHBondContact CE-SD 3.42Å; M47-M55 HydrophobicContact SD-CE 4.35Å; M47-M55 HydrophobicContact SD-SD 3.32Å; T51-M55 WeakPolarHBondContact O-CG 3.33Å; T51-M55 PolarHBondContact O-N 2.97Å; R52-M55 PolarHBondContact O-N 3.01Å; L53-M55 VanDerWaalsContact C-N 3.33Å; L53-M55 PolarHBondContact O-N 3.27Å; M55-T57 VanDerWaalsContact C-N 3.33Å; M55-E58 PolarHBondContact O-N 3.22Å; M55-M59 WeakPolarHBondContact O-CG 3.45Å; M55-M59 PolarHBondContact O-N 3.14Å
56	C	91	Very high	90.4	Very high	48 Å²	48	74.1 Å²	74.1	32%	0.324	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-38.3	173.9	-75.9	0	0	0	0	111.8	R52 L53 Q54 M59 M60 Y82	R52-C56 PolarHBondContact O-N 3.24Å; R52-C56 VanDerWaalsContact O-N 3.11Å; L53-C56 PolarHBondContact O-N 2.71Å; L53-C56 VanDerWaalsContact O-N 3.16Å; Q54-C56 VanDerWaalsContact C-N 3.3Å; Q54-C56 PolarHBondContact O-N 3.05Å; C56-M59 PolarHBondContact O-N 3.31Å; C56-M60 WeakPolarHBondContact O-CG 3.47Å; C56-M60 PolarHBondContact O-N 2.94Å; C56-Y82 WeakPolarHBondContact CB-OH 3.29Å
57	T	89	Confident	90.5	Very high	27 Å²	27	75.9 Å²	75.9	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-40.8	173.8	-56.2	0	0	0	0	111.6	L53 Q54 M55 M60 R61 Y82	L53-T57 PolarHBondContact O-N 3.38Å; L53-T57 PolarHBondContact O-OG1 3.43Å; Q54-T57 WeakPolarHBondContact O-CA 3.29Å; Q54-T57 WeakPolarHBondContact O-CB 3.29Å; Q54-T57 PolarHBondContact O-N 3.4Å; M55-T57 VanDerWaalsContact C-N 3.33Å; T57-M60 PolarHBondContact O-N 2.82Å; T57-R61 WeakPolarHBondContact O-CG 3.49Å; T57-R61 PolarHBondContact O-N 3.04Å; T57-Y82 PolarHBondContact N-OH 3.14Å; T57-Y82 WeakPolarHBondContact OG1-CE2 3.27Å; T57-Y82 PolarHBondContact OG1-OH 3.34Å
58	E	92.2	Very high	90.6	Very high	80 Å²	80	75.6 Å²	75.6	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-43.8	174.7	-72	171.2	-172.7	0	0	111.3	Q54 M55 M60 R61 W62	Q54-E58 PolarHBondContact NE2-OE1 3.01Å; Q54-E58 WeakPolarHBondContact O-CG 3.5Å; Q54-E58 PolarHBondContact O-N 2.88Å; M55-E58 PolarHBondContact O-N 3.22Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3Å; E58-R61 WeakPolarHBondContact O-CB 3.22Å; E58-R61 PolarHBondContact O-N 3.22Å; E58-W62 PolarHBondContact O-N 2.9Å
59	M	91.2	Very high	90.7	Very high	135 Å²	135	81.6 Å²	81.6	67%	0.665	39%	0.391	S	S	*	.	H	α-helix	trans	-60.1	-40	173.9	-74.4	-178.1	68.9	0	0	112.6	M55 C56 W62 A63	M55-M59 WeakPolarHBondContact O-CG 3.45Å; M55-M59 PolarHBondContact O-N 3.14Å; C56-M59 PolarHBondContact O-N 3.31Å; M59-W62 PolarHBondContact O-N 3.06Å; M59-A63 PolarHBondContact O-N 3.3Å
60	M	88.1	Confident	90.8	Very high	85 Å²	85	89 Å²	89	42%	0.419	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-39.5	175.9	-74.1	-65.9	-66.1	0	0	112.1	C56 T57 E58 A63 L65 I78	C56-M60 WeakPolarHBondContact O-CG 3.47Å; C56-M60 PolarHBondContact O-N 2.94Å; T57-M60 PolarHBondContact O-N 2.82Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3Å; M60-A63 PolarHBondContact O-N 3Å; M60-L65 HydrophobicContact CE-CD1 3.54Å; M60-L65 HydrophobicContact SD-CD1 4.19Å; M60-I78 HydrophobicContact CE-CG2 4.02Å
61	R	88.5	Confident	90.9	Very high	167 Å²	167	90 Å²	90	63%	0.63	43%	0.428	S	S	*	.	H	α-helix	trans	-63.3	-43.5	174.1	-70.5	174.3	-177.8	173.2	0	111.4	T57 E58 A63 E64	T57-R61 WeakPolarHBondContact O-CG 3.49Å; T57-R61 PolarHBondContact O-N 3.04Å; E58-R61 WeakPolarHBondContact O-CB 3.22Å; E58-R61 PolarHBondContact O-N 3.22Å; R61-A63 PolarHBondContact O-N 3.49Å; R61-E64 WeakPolarHBondContact O-CG 3.37Å; R61-E64 PolarHBondContact O-N 3.43Å
62	W	91	Very high	90.9	Very high	228 Å²	228	93.6 Å²	93.6	86%	0.864	44%	0.44	S	S	*	.	H	α-helix	trans	-66.5	-25.9	178.3	-79.2	41	0	0	0	113.4	E58 M59	E58-W62 PolarHBondContact O-N 2.9Å; M59-W62 PolarHBondContact O-N 3.06Å
63	A	90.5	Very high	91.1	Very high	56 Å²	56	97.3 Å²	97.3	46%	0.463	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.5	176.5	0	0	0	0	0	112.9	M59 M60 R61 L65	M59-A63 PolarHBondContact O-N 3.3Å; M60-A63 PolarHBondContact O-N 3Å; R61-A63 PolarHBondContact O-N 3.49Å; A63-L65 HydrophobicContact CB-CD2 4.04Å; A63-L65 HydrophobicContact CB-CG 3.96Å; A63-L65 PolarHBondContact O-N 2.89Å; A63-L65 VanDerWaalsContact O-N 3.1Å
64	E	89.1	Confident	91.3	Very high	113 Å²	113	104.4 Å²	104.4	53%	0.528	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	42.4	178.8	-63.4	-172.7	-169.3	0	0	113.7	R61 E66 N67	R61-E64 WeakPolarHBondContact O-CG 3.37Å; R61-E64 PolarHBondContact O-N 3.43Å; E64-E66 PolarHBondContact O-N 2.96Å; E64-E66 VanDerWaalsContact O-N 3.08Å; E64-N67 WeakPolarHBondContact O-CB 3.32Å; E64-N67 PolarHBondContact O-N 2.72Å
65	L	88.7	Confident	91.5	Very high	48 Å²	48	102.4 Å²	102.4	25%	0.251	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-59.9	-25.4	-174.4	-61.6	179.1	0	0	0	113.2	M60 A63 N67 D68 L71 I78	M60-L65 HydrophobicContact CE-CD1 3.54Å; M60-L65 HydrophobicContact SD-CD1 4.19Å; A63-L65 HydrophobicContact CB-CD2 4.04Å; A63-L65 HydrophobicContact CB-CG 3.96Å; A63-L65 PolarHBondContact O-N 2.89Å; A63-L65 VanDerWaalsContact O-N 3.1Å; L65-N67 PolarHBondContact O-N 3.21Å; L65-D68 VanDerWaalsContact O-CB 3.24Å; L65-D68 WeakPolarHBondContact O-CB 2.81Å; L65-D68 PolarHBondContact O-N 3.15Å; L65-D68 VanDerWaalsContact O-N 3.1Å; L65-L71 HydrophobicContact CB-CD1 3.96Å; L65-I78 HydrophobicContact CB-CD1 4.37Å; L65-I78 HydrophobicContact CD1-CD1 3.86Å
66	E	84.6	Confident	91.6	Very high	65 Å²	65	103.6 Å²	103.6	30%	0.304	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.1	170.6	62.4	-138.3	-121.4	0	0	114.7	E64 K72 R80	E64-E66 PolarHBondContact O-N 2.96Å; E64-E66 VanDerWaalsContact O-N 3.08Å; E66-K72 WeakPolarHBondContact O-CE 3.46Å; E66-K72 PolarHBondContact O-NZ 2.94Å; E66-R80 IonicContact OE1-CZ 3.88Å; E66-R80 IonicContact OE1-NH1 2.69Å; E66-R80 PolarHBondContact OE1-NH1 3.44Å; E66-R80 IonicContact OE1-NH2 3.17Å; E66-R80 PolarHBondContact OE1-NH2 3.42Å; E66-R80 IonicContact OE2-CZ 3.94Å; E66-R80 IonicContact OE2-NE 3Å; E66-R80 PolarHBondContact OE2-NE 3Å; E66-R80 IonicContact OE2-NH1 3.17Å; E66-R80 PolarHBondContact OE2-NH1 3.25Å; E66-R80 VanDerWaalsContact OE2-NH1 3.11Å; E66-R80 IonicContact OE2-NH2 2.91Å; E66-R80 PolarHBondContact OE2-NH2 2.97Å; E66-R80 VanDerWaalsContact OE2-NH2 3.17Å
67	N	88.4	Confident	91.5	Very high	88 Å²	88	108 Å²	108	47%	0.471	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-104.3	1.2	178.2	-66.5	-33.4	0	0	0	112.4	E64 L65 E69	E64-N67 WeakPolarHBondContact O-CB 3.32Å; E64-N67 PolarHBondContact O-N 2.72Å; L65-N67 PolarHBondContact O-N 3.21Å; N67-E69 PolarHBondContact O-N 3.28Å
68	D	93	Very high	91.5	Very high	56 Å²	56	110 Å²	110	30%	0.299	54%	0.538	S	S	.	.			trans	-67.9	118.3	178.3	-170.8	-62.4	0	0	0	110.2	L65 F70 L71 K72	L65-D68 VanDerWaalsContact O-CB 3.24Å; L65-D68 WeakPolarHBondContact O-CB 2.81Å; L65-D68 PolarHBondContact O-N 3.15Å; L65-D68 VanDerWaalsContact O-N 3.1Å; D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CA 3.47Å; D68-F70 VanDerWaalsContact OD1-CB 3.29Å; D68-F70 WeakPolarHBondContact OD1-CB 3.43Å; D68-F70 PolarHBondContact OD1-N 3.46Å; D68-L71 HydrophobicContact CB-CB 4.1Å; D68-L71 HydrophobicContact CB-CD1 3.93Å; D68-L71 HydrophobicContact CB-CG 3.95Å; D68-L71 PolarHBondContact O-N 3.44Å; D68-L71 PolarHBondContact OD1-N 2.85Å; D68-K72 PolarHBondContact O-N 3.19Å; D68-K72 VanDerWaalsContact O-N 3.16Å
69	E	94.4	Very high	91.3	Very high	164 Å²	164	109.8 Å²	109.8	77%	0.766	55%	0.549	S	S	*	.	H	α-helix	trans	-62.7	-35.8	-178	-65.5	-177.5	167.8	0	0	111.9	N67 E73	N67-E69 PolarHBondContact O-N 3.28Å; E69-E73 WeakPolarHBondContact O-CB 3.4Å; E69-E73 PolarHBondContact O-N 3.05Å
70	F	95.6	Very high	91.1	Very high	155 Å²	155	110.6 Å²	110.6	68%	0.68	55%	0.545	S	S	*	.	H	α-helix	trans	-69	-45.5	178.2	-62	-83.6	0	0	0	110.4	D68 K72 E73 F74	D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CA 3.47Å; D68-F70 VanDerWaalsContact OD1-CB 3.29Å; D68-F70 WeakPolarHBondContact OD1-CB 3.43Å; D68-F70 PolarHBondContact OD1-N 3.46Å; F70-K72 VanDerWaalsContact C-N 3.29Å; F70-K72 PolarHBondContact O-N 2.83Å; F70-E73 PolarHBondContact O-N 3.3Å; F70-F74 VanDerWaalsContact O-CD2 3.28Å; F70-F74 WeakPolarHBondContact O-CD2 3.45Å; F70-F74 PolarHBondContact O-N 3.11Å; F70-F74 VanDerWaalsContact O-N 3.1Å
71	L	94.6	Very high	91.1	Very high	37 Å²	37	112.2 Å²	112.2	19%	0.194	56%	0.56	C	S	.	*	H	α-helix	trans	-60	-40.8	178.5	-67.1	-179.1	0	0	0	112.2	L65 D68 F74 G75 L76 I78	L65-L71 HydrophobicContact CB-CD1 3.96Å; D68-L71 HydrophobicContact CB-CB 4.1Å; D68-L71 HydrophobicContact CB-CD1 3.93Å; D68-L71 HydrophobicContact CB-CG 3.95Å; D68-L71 PolarHBondContact O-N 3.44Å; D68-L71 PolarHBondContact OD1-N 2.85Å; L71-F74 CarbonylContact O-C 3.57Å; L71-F74 PolarHBondContact O-N 2.58Å; L71-G75 PolarHBondContact O-N 3.48Å; L71-L76 HydrophobicContact CB-CB 4.45Å; L71-L76 HydrophobicContact CD2-CB 4.31Å; L71-L76 HydrophobicContact CD2-CD1 4.09Å; L71-L76 PolarHBondContact O-N 2.91Å; L71-I78 HydrophobicContact CD1-CD1 3.6Å; L71-I78 HydrophobicContact CD1-CG1 4.35Å
72	K	93	Very high	91.2	Very high	123 Å²	123	109 Å²	109	54%	0.535	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175.7	-72.2	179.1	-175.1	172.7	0	112.6	E66 D68 F70 F74 G75	E66-K72 WeakPolarHBondContact O-CE 3.46Å; E66-K72 PolarHBondContact O-NZ 2.94Å; D68-K72 PolarHBondContact O-N 3.19Å; D68-K72 VanDerWaalsContact O-N 3.16Å; F70-K72 VanDerWaalsContact C-N 3.29Å; F70-K72 PolarHBondContact O-N 2.83Å; K72-F74 PolarHBondContact O-N 2.93Å; K72-G75 PolarHBondContact O-N 2.84Å
73	E	95.8	Very high	91.3	Very high	166 Å²	166	103 Å²	103	78%	0.776	54%	0.537	S	S	*	.	H	α-helix	trans	-60	-36.4	177.4	-172.7	64.9	-167.6	0	0	111.6	E69 F70 G75	E69-E73 WeakPolarHBondContact O-CB 3.4Å; E69-E73 PolarHBondContact O-N 3.05Å; F70-E73 PolarHBondContact O-N 3.3Å; E73-G75 VanDerWaalsContact C-N 3.28Å; E73-G75 PolarHBondContact O-N 3.25Å
74	F	96.3	Very high	91.5	Very high	161 Å²	161	106.3 Å²	106.3	71%	0.706	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.2	174.3	-77.3	-87.3	0	0	0	114.1	F70 L71 K72 L76	F70-F74 VanDerWaalsContact O-CD2 3.28Å; F70-F74 WeakPolarHBondContact O-CD2 3.45Å; F70-F74 PolarHBondContact O-N 3.11Å; F70-F74 VanDerWaalsContact O-N 3.1Å; L71-F74 CarbonylContact O-C 3.57Å; L71-F74 PolarHBondContact O-N 2.58Å; K72-F74 PolarHBondContact O-N 2.93Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.02Å; F74-L76 HydrophobicContact CB-CG 4.01Å; F74-L76 PolarHBondContact O-N 2.75Å
75	G	94.8	Very high	91.8	Very high	69 Å²	69	103 Å²	103	71%	0.711	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	26.3	-178.9	0	0	0	0	0	114	L71 K72 E73	L71-G75 PolarHBondContact O-N 3.48Å; K72-G75 PolarHBondContact O-N 2.84Å; E73-G75 VanDerWaalsContact C-N 3.28Å; E73-G75 PolarHBondContact O-N 3.25Å
76	L	94.7	Very high	92.2	Very high	105 Å²	105	104.2 Å²	104.2	55%	0.55	54%	0.54	S	S	.	.			trans	-97	129.3	-177.2	-62.5	176.4	0	0	0	111	L71 F74	L71-L76 HydrophobicContact CB-CB 4.45Å; L71-L76 HydrophobicContact CD2-CB 4.31Å; L71-L76 HydrophobicContact CD2-CD1 4.09Å; L71-L76 PolarHBondContact O-N 2.91Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.02Å; F74-L76 HydrophobicContact CB-CG 4.01Å; F74-L76 PolarHBondContact O-N 2.75Å
77	D	88.7	Confident	92.7	Very high	140 Å²	140	103.3 Å²	103.3	75%	0.749	55%	0.549	S	S	*	.			trans	-118.4	134.9	167.9	-174.9	20	0	0	0	109.6
78	I	89.4	Confident	93.1	Very high	70 Å²	70	103.2 Å²	103.2	36%	0.359	54%	0.542	S	S	.	.			trans	-108.5	119.4	-175.2	-60.3	179	0	0	0	109	M60 L65 L71 R80	M60-I78 HydrophobicContact CE-CG2 4.02Å; L65-I78 HydrophobicContact CB-CD1 4.37Å; L65-I78 HydrophobicContact CD1-CD1 3.86Å; L71-I78 HydrophobicContact CD1-CD1 3.6Å; L71-I78 HydrophobicContact CD1-CG1 4.35Å; I78-R80 PolarHBondContact O-N 3.08Å
79	A	88.1	Confident	93.2	Very high	75 Å²	75	104.6 Å²	104.6	62%	0.62	55%	0.552	S	S	*	*			trans	-58.8	137.6	176.1	0	0	0	0	0	111.9
80	R	85.3	Confident	93.3	Very high	152 Å²	152	97.7 Å²	97.7	57%	0.574	52%	0.52	S	S	*	.	S	Bend	trans	-93.2	0.9	-176	-53.1	178.5	-163.1	-157.2	0.8	113.7	E66 I78	E66-R80 IonicContact OE1-CZ 3.88Å; E66-R80 IonicContact OE1-NH1 2.69Å; E66-R80 PolarHBondContact OE1-NH1 3.44Å; E66-R80 IonicContact OE1-NH2 3.17Å; E66-R80 PolarHBondContact OE1-NH2 3.42Å; E66-R80 IonicContact OE2-CZ 3.94Å; E66-R80 IonicContact OE2-NE 3Å; E66-R80 PolarHBondContact OE2-NE 3Å; E66-R80 IonicContact OE2-NH1 3.17Å; E66-R80 PolarHBondContact OE2-NH1 3.25Å; E66-R80 VanDerWaalsContact OE2-NH1 3.11Å; E66-R80 IonicContact OE2-NH2 2.91Å; E66-R80 PolarHBondContact OE2-NH2 2.97Å; E66-R80 VanDerWaalsContact OE2-NH2 3.17Å; I78-R80 PolarHBondContact O-N 3.08Å
81	T	88.5	Confident	93.2	Very high	118 Å²	118	94.5 Å²	94.5	72%	0.724	52%	0.515	S	S	*	.	S	Bend	trans	-111.1	155.7	179.7	52.5	0	0	0	0	109.9
82	Y	90.8	Very high	92.8	Very high	101 Å²	101	95 Å²	95	40%	0.396	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-67.8	144.2	173.3	-75.1	-66.3	0	0	0	111.2	L53 C56 T57 E84	L53-Y82 VanDerWaalsContact C-OH 3.32Å; L53-Y82 WeakPolarHBondContact CA-OH 3.45Å; L53-Y82 HydrophobicContact CB-CE2 3.75Å; L53-Y82 HydrophobicContact CD2-CD1 4.38Å; L53-Y82 HydrophobicContact CD2-CD2 4.22Å; L53-Y82 HydrophobicContact CD2-CE1 4.21Å; L53-Y82 HydrophobicContact CD2-CE2 4.02Å; L53-Y82 HydrophobicContact CD2-CG 4.4Å; L53-Y82 HydrophobicContact CG-CE1 4.18Å; L53-Y82 HydrophobicContact CG-CE2 4.02Å; L53-Y82 PolarHBondContact O-OH 3.49Å; C56-Y82 WeakPolarHBondContact CB-OH 3.29Å; T57-Y82 PolarHBondContact N-OH 3.14Å; T57-Y82 WeakPolarHBondContact OG1-CE2 3.27Å; T57-Y82 PolarHBondContact OG1-OH 3.34Å; Y82-E84 PolarHBondContact O-N 3.05Å
83	V	93.8	Very high	92.6	Very high	101 Å²	101	89.3 Å²	89.3	61%	0.612	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.9	121	168.2	-177.8	0	0	0	0	108.4	V85 V425	V83-V85 HydrophobicContact CG1-CG1 3.97Å; V83-V425 HydrophobicContact CG1-CG1 4.12Å
84	E	94.8	Very high	92.5	Very high	126 Å²	126	85.6 Å²	85.6	59%	0.589	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-79.1	127.9	171.2	-61.9	-168.1	179.3	0	0	109.8	Y82 K403	Y82-E84 PolarHBondContact O-N 3.05Å; E84-K403 VanDerWaalsContact OE1-CE 3.24Å; E84-K403 WeakPolarHBondContact OE1-CE 3.49Å; E84-K403 IonicContact OE1-NZ 2.83Å; E84-K403 PolarHBondContact OE1-NZ 3.04Å; E84-K403 IonicContact OE2-NZ 3.88Å; E84-K403 PolarHBondContact OE2-NZ 2.92Å
85	V	95.6	Very high	92.4	Very high	42 Å²	42	78 Å²	78	26%	0.255	44%	0.444	S	S	.	.			trans	-125	135.8	-177	-59.4	0	0	0	0	110.2	V83 F400 I421 R424 V425	V83-V85 HydrophobicContact CG1-CG1 3.97Å; V85-F400 HydrophobicContact CG2-CD1 4.13Å; V85-F400 HydrophobicContact CG2-CE1 4.24Å; V85-I421 HydrophobicContact CB-CG2 4.16Å; V85-I421 HydrophobicContact CG2-CD1 4.13Å; V85-I421 HydrophobicContact CG2-CG2 3.99Å; V85-R424 HydrophobicContact CG1-CB 3.95Å; V85-V425 HydrophobicContact CG1-CB 4.39Å; V85-V425 HydrophobicContact CG1-CG1 3.54Å; V85-V425 HydrophobicContact CG1-CG2 3.98Å
86	P	95.7	Very high	92.4	Very high	74 Å²	74	76.8 Å²	76.8	48%	0.481	42%	0.42	S	S	.	.			trans	-70	136.3	170.1	30.9	-32.8	0	0	0	108.9	H423	P86-H423 HydrophobicContact CG-CB 3.97Å
87	G	95.4	Very high	92.5	Very high	46 Å²	46	71.9 Å²	71.9	47%	0.474	39%	0.394	S	S	.	.			trans	-127.7	145.8	173.1	0	0	0	0	0	110.5	V420	G87-V420 VanDerWaalsContact CA-O 3.28Å; G87-V420 WeakPolarHBondContact CA-O 3.4Å
88	R	96.3	Very high	92.8	Very high	86 Å²	86	69.3 Å²	69.3	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.1	174.6	-64.8	179.7	-66.5	123.2	-0.6	109	T419 V420 D422 D462	R88-T419 CarbonylContact O-C 3.54Å; R88-T419 VanDerWaalsContact O-CA 3.25Å; R88-T419 WeakPolarHBondContact O-CA 3.43Å; R88-V420 PolarHBondContact N-O 2.83Å; R88-V420 PolarHBondContact O-N 3Å; R88-D422 IonicContact CZ-OD2 2.7Å; R88-D422 IonicContact NH2-OD1 3.28Å; R88-D422 IonicContact NH2-OD2 2.72Å; R88-D422 PolarHBondContact NH2-OD2 3.5Å; R88-D462 IonicContact CZ-OD1 3.96Å; R88-D462 IonicContact NH1-OD1 2.72Å; R88-D462 PolarHBondContact NH1-OD1 2.75Å; R88-D462 IonicContact NH2-OD1 2.81Å
89	V	96.2	Very high	93	Very high	86 Å²	86	72.7 Å²	72.7	52%	0.521	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.4	173.9	-174.8	0	0	0	0	107.7	P416	V89-P416 HydrophobicContact CG1-CB 4.47Å; V89-P416 HydrophobicContact CG1-CG 4.27Å; V89-P416 HydrophobicContact CG2-CG 3.68Å
90	L	96.3	Very high	93	Very high	18 Å²	18	71.3 Å²	71.3	9%	0.094	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66.8	139	176.9	-64.9	-178.9	0	0	0	110.4	G418 V420 Q465 Y469	L90-G418 PolarHBondContact N-O 3.1Å; L90-V420 HydrophobicContact CD1-CG2 3.58Å; L90-V420 HydrophobicContact CD2-CG2 4.48Å; L90-V420 HydrophobicContact CG-CG2 3.72Å; L90-Q465 HydrophobicContact CD1-CB 4.16Å; L90-Y469 HydrophobicContact CB-CD1 3.67Å; L90-Y469 HydrophobicContact CB-CE1 3.94Å; L90-Y469 HydrophobicContact CD1-CD1 4.06Å; L90-Y469 HydrophobicContact CD1-CG 4.31Å
91	P	93	Very high	93	Very high	88 Å²	88	69.9 Å²	69.9	57%	0.571	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-63.3	134.9	171.5	27.6	-33.1	0	0	0	109.3
92	P	86.8	Confident	93.1	Very high	48 Å²	48	73.6 Å²	73.6	31%	0.312	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.6	143.1	173.5	27.5	-31.7	0	0	0	110	P108 Y469	P92-P108 HydrophobicContact CB-CB 3.93Å; P92-P108 HydrophobicContact CB-CG 4.28Å; P92-P108 HydrophobicContact CG-CB 4.5Å; P92-P108 WeakPolarHBondContact CG-O 3.29Å; P92-Y469 HydrophobicContact CB-CE1 4.46Å
93	L	88.1	Confident	93.1	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.016	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-71.1	141.6	172.6	-162.2	87.4	0	0	0	109.8	P108 L261 D264 V267 Y470	L93-P108 WeakPolarHBondContact O-CD 3.24Å; L93-P108 WeakPolarHBondContact O-CG 3.41Å; L93-L261 HydrophobicContact CD2-CB 3.42Å; L93-L261 VanDerWaalsContact CD2-CB 3.42Å; L93-L261 HydrophobicContact CD2-CD1 4.36Å; L93-L261 HydrophobicContact CD2-CD2 3.49Å; L93-L261 VanDerWaalsContact CD2-CD2 3.49Å; L93-L261 HydrophobicContact CD2-CG 3.89Å; L93-D264 WeakPolarHBondContact CD1-OD2 3.14Å; L93-V267 HydrophobicContact CD1-CG2 3.79Å; L93-V267 HydrophobicContact CD2-CG2 3.78Å; L93-V267 HydrophobicContact CG-CG2 4.47Å; L93-Y470 HydrophobicContact CB-CD1 3.62Å; L93-Y470 HydrophobicContact CB-CD2 4.21Å; L93-Y470 HydrophobicContact CB-CE1 3.76Å; L93-Y470 HydrophobicContact CB-CE2 4.33Å; L93-Y470 HydrophobicContact CB-CG 3.84Å; L93-Y470 HydrophobicContact CD1-CD1 4.42Å; L93-Y470 HydrophobicContact CD1-CD2 3.64Å; L93-Y470 HydrophobicContact CD1-CE1 4.15Å; L93-Y470 HydrophobicContact CD1-CE2 3.31Å; L93-Y470 HydrophobicContact CD1-CG 4.18Å; L93-Y470 HydrophobicContact CD2-CD2 4.36Å; L93-Y470 HydrophobicContact CD2-CG 4.47Å; L93-Y470 HydrophobicContact CG-CD2 4.27Å; L93-Y470 HydrophobicContact CG-CE2 4.31Å; L93-Y470 HydrophobicContact CG-CG 4.36Å
94	K	93.5	Very high	93.2	Very high	89 Å²	89	67.5 Å²	67.5	39%	0.387	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-68.4	146.5	168.1	-46.7	-167.4	-175.5	-162.2	0	110.4	V105 E107 L262	K94-V105 HydrophobicContact CB-CG1 3.6Å; K94-V105 HydrophobicContact CD-CG1 3.82Å; K94-V105 HydrophobicContact CG-CG1 4.28Å; K94-E107 HydrophobicContact CB-CG 4.48Å; K94-E107 HydrophobicContact CD-CG 3.98Å; K94-E107 VanDerWaalsContact CD-OE1 3.31Å; K94-E107 WeakPolarHBondContact CD-OE1 3.39Å; K94-E107 WeakPolarHBondContact CE-OE1 3.3Å; K94-E107 HydrophobicContact CG-CG 3.99Å; K94-E107 IonicContact NZ-OE1 3.57Å; K94-E107 PolarHBondContact NZ-OE1 2.98Å; K94-L262 HydrophobicContact CB-CB 4.09Å; K94-L262 HydrophobicContact CB-CD2 3.8Å; K94-L262 HydrophobicContact CD-CD2 4.05Å; K94-L262 HydrophobicContact CG-CD2 4.32Å; K94-L262 VanDerWaalsContact O-CB 3.25Å; K94-L262 WeakPolarHBondContact O-CB 3.41Å; K94-L262 PolarHBondContact O-N 2.59Å
95	L	95.3	Very high	93.2	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	-176.5	-63.1	178.9	0	0	0	110.4	Y97 V105 V106 P108 W113 R260 L261 H473	L95-Y97 HydrophobicContact CB-CD2 4.37Å; L95-Y97 HydrophobicContact CB-CE2 4.08Å; L95-Y97 HydrophobicContact CD1-CE2 4.49Å; L95-V105 CarbonylContact O-C 3.58Å; L95-V105 WeakPolarHBondContact O-CA 3.49Å; L95-V106 PolarHBondContact N-O 3.17Å; L95-V106 PolarHBondContact O-N 3.31Å; L95-P108 HydrophobicContact CD1-CG 3.92Å; L95-P108 HydrophobicContact CG-CG 4.09Å; L95-W113 HydrophobicContact CD1-CD2 3.69Å; L95-W113 HydrophobicContact CD1-CE3 4.12Å; L95-W113 HydrophobicContact CD1-CG 4.21Å; L95-W113 HydrophobicContact CD1-CH2 3.95Å; L95-W113 HydrophobicContact CD1-CZ2 3.49Å; L95-W113 VanDerWaalsContact CD1-CZ2 3.49Å; L95-W113 HydrophobicContact CD1-CZ3 4.22Å; L95-R260 WeakPolarHBondContact CA-O 3.37Å; L95-L261 HydrophobicContact CD2-CD2 4.3Å; L95-H473 HydrophobicContact CD2-CB 4.03Å
96	E	94.9	Very high	93.1	Very high	44 Å²	44	64 Å²	64	21%	0.206	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.1	177	-157.7	174.2	-162.5	0	0	110.5	S103 F121 T259 R260	E96-S103 VanDerWaalsContact CD-OG 3.26Å; E96-S103 WeakPolarHBondContact CG-OG 3.37Å; E96-S103 WeakPolarHBondContact OE1-CB 3.41Å; E96-S103 PolarHBondContact OE1-OG 3.38Å; E96-F121 HydrophobicContact CB-CD2 4.25Å; E96-F121 HydrophobicContact CB-CE2 4.47Å; E96-F121 HydrophobicContact CG-CD2 3.97Å; E96-F121 HydrophobicContact CG-CE2 3.94Å; E96-T259 WeakPolarHBondContact O-CA 3.47Å; E96-T259 PolarHBondContact O-OG1 3.49Å; E96-R260 HydrophobicContact CB-CB 4.33Å; E96-R260 PolarHBondContact N-O 2.88Å; E96-R260 PolarHBondContact O-N 2.74Å; E96-R260 VanDerWaalsContact O-N 3.14Å
97	Y	95.9	Very high	93	Very high	3 Å²	3	66.2 Å²	66.2	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	175.7	176.2	-79.7	-83.3	0	0	0	109.3	L95 A104 V106 W113 M115 V118 Q119 N258 T259	L95-Y97 HydrophobicContact CB-CD2 4.37Å; L95-Y97 HydrophobicContact CB-CE2 4.08Å; L95-Y97 HydrophobicContact CD1-CE2 4.49Å; Y97-A104 PolarHBondContact N-O 3.4Å; Y97-A104 PolarHBondContact O-N 2.95Å; Y97-V106 HydrophobicContact CD2-CB 3.86Å; Y97-V106 HydrophobicContact CD2-CG2 3.51Å; Y97-V106 HydrophobicContact CE2-CB 4.05Å; Y97-V106 HydrophobicContact CE2-CG2 4.04Å; Y97-V106 HydrophobicContact CG-CG2 4.32Å; Y97-W113 AromaticContact CE2-NE1 3.95Å; Y97-W113 AromaticContact CZ-NE1 3.82Å; Y97-W113 PolarHBondContact OH-NE1 3.24Å; Y97-M115 HydrophobicContact CD1-CE 3.66Å; Y97-M115 HydrophobicContact CD1-CG 4.39Å; Y97-M115 HydrophobicContact CD1-SD 4.39Å; Y97-M115 HydrophobicContact CE1-CE 3.47Å; Y97-M115 VanDerWaalsContact CE1-CE 3.47Å; Y97-M115 HydrophobicContact CE1-CG 3.72Å; Y97-M115 HydrophobicContact CE1-SD 3.61Å; Y97-V118 HydrophobicContact CD1-CG2 4.32Å; Y97-V118 HydrophobicContact CG-CB 4.47Å; Y97-V118 HydrophobicContact CG-CG2 4.15Å; Y97-Q119 WeakPolarHBondContact CD1-O 3.44Å; Y97-N258 VanDerWaalsContact CD1-O 3.28Å; Y97-N258 WeakPolarHBondContact CD1-O 3.47Å; Y97-N258 WeakPolarHBondContact CE1-O 3.46Å; Y97-T259 WeakPolarHBondContact CE2-OG1 3.36Å
98	K	95	Very high	92.9	Very high	85 Å²	85	64.3 Å²	64.3	37%	0.37	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.1	175.2	-173.8	173.3	176	178.4	0	110.7	G100 V118 Q119 F120	K98-G100 WeakPolarHBondContact CE-O 3.35Å; K98-G100 VanDerWaalsContact CG-O 3.22Å; K98-G100 WeakPolarHBondContact CG-O 3.34Å; K98-V118 CarbonylContact O-C 3.58Å; K98-V118 WeakPolarHBondContact O-CA 3.46Å; K98-Q119 HydrophobicContact CB-CB 4.28Å; K98-Q119 PolarHBondContact N-O 3.44Å; K98-Q119 VanDerWaalsContact N-O 3.1Å; K98-Q119 PolarHBondContact O-N 3.5Å; K98-F120 WeakPolarHBondContact CB-O 3.35Å
99	R	92.9	Very high	92.7	Very high	142 Å²	142	64 Å²	64	54%	0.536	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	98.2	166.7	-178.9	-179.9	-71.7	172.5	0.6	108.7	S101 R102 A104 D117	R99-S101 PolarHBondContact O-N 2.91Å; R99-R102 PolarHBondContact N-O 3.35Å; R99-R102 PolarHBondContact O-N 3.34Å; R99-A104 HydrophobicContact CB-CB 3.77Å; R99-D117 PolarHBondContact NE-O 3.47Å
100	G	88.1	Confident	92.3	Very high	45 Å²	45	63.4 Å²	63.4	46%	0.464	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-124.3	-171.9	0	0	0	0	0	110.3	K98	K98-G100 WeakPolarHBondContact CE-O 3.35Å; K98-G100 VanDerWaalsContact CG-O 3.22Å; K98-G100 WeakPolarHBondContact CG-O 3.34Å
101	S	86.9	Confident	92	Very high	122 Å²	122	62.6 Å²	62.6	85%	0.853	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.1	176.1	56.2	0	0	0	0	114.4	R99	R99-S101 PolarHBondContact O-N 2.91Å
102	R	90.9	Very high	92	Very high	196 Å²	196	60.7 Å²	60.7	74%	0.74	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.7	-174.9	-61.5	-176.7	-177.2	177	0.8	111.9	R99	R99-R102 PolarHBondContact N-O 3.35Å; R99-R102 PolarHBondContact O-N 3.34Å
103	S	90.2	Very high	92.4	Very high	66 Å²	66	59.2 Å²	59.2	46%	0.462	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.6	165.9	177.2	0	0	0	0	110.6	E96	E96-S103 VanDerWaalsContact CD-OG 3.26Å; E96-S103 WeakPolarHBondContact CG-OG 3.37Å; E96-S103 WeakPolarHBondContact OE1-CB 3.41Å; E96-S103 PolarHBondContact OE1-OG 3.38Å
104	A	94.4	Very high	92.4	Very high	9 Å²	9	64.4 Å²	64.4	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.1	174.4	0	0	0	0	0	110	Y97 R99 V118	Y97-A104 PolarHBondContact N-O 3.4Å; Y97-A104 PolarHBondContact O-N 2.95Å; R99-A104 HydrophobicContact CB-CB 3.77Å; A104-V118 HydrophobicContact CB-CG1 3.73Å
105	V	94.8	Very high	92.2	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.4	-179.4	-176.6	0	0	0	0	109.3	K94 L95 L262	K94-V105 HydrophobicContact CB-CG1 3.6Å; K94-V105 HydrophobicContact CD-CG1 3.82Å; K94-V105 HydrophobicContact CG-CG1 4.28Å; L95-V105 CarbonylContact O-C 3.58Å; L95-V105 WeakPolarHBondContact O-CA 3.49Å; V105-L262 HydrophobicContact CG1-CD2 4.43Å; V105-L262 HydrophobicContact CG2-CD1 4.12Å
106	V	95	Very high	91.7	Very high	20 Å²	20	69.8 Å²	69.8	12%	0.121	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	175.3	176.9	0	0	0	0	108.6	L95 Y97 W113 V118	L95-V106 PolarHBondContact N-O 3.17Å; L95-V106 PolarHBondContact O-N 3.31Å; Y97-V106 HydrophobicContact CD2-CB 3.86Å; Y97-V106 HydrophobicContact CD2-CG2 3.51Å; Y97-V106 HydrophobicContact CE2-CB 4.05Å; Y97-V106 HydrophobicContact CE2-CG2 4.04Å; Y97-V106 HydrophobicContact CG-CG2 4.32Å; V106-W113 HydrophobicContact CG1-CB 3.79Å; V106-W113 HydrophobicContact CG1-CG 4.14Å; V106-V118 HydrophobicContact CG2-CG1 4.35Å; V106-V118 HydrophobicContact CG2-CG2 4.33Å
107	E	93.1	Very high	91.4	Very high	120 Å²	120	74.2 Å²	74.2	56%	0.561	38%	0.383	S	S	*	.			trans	-102	118	179.6	-59.8	-169.6	178.8	0	0	110	K94	K94-E107 HydrophobicContact CB-CG 4.48Å; K94-E107 HydrophobicContact CD-CG 3.98Å; K94-E107 VanDerWaalsContact CD-OE1 3.31Å; K94-E107 WeakPolarHBondContact CD-OE1 3.39Å; K94-E107 WeakPolarHBondContact CE-OE1 3.3Å; K94-E107 HydrophobicContact CG-CG 3.99Å; K94-E107 IonicContact NZ-OE1 3.57Å; K94-E107 PolarHBondContact NZ-OE1 2.98Å
108	P	93.5	Very high	91.3	Very high	7 Å²	7	74.6 Å²	74.6	5%	0.045	39%	0.386	C	S	.	.			trans	-61.8	140.7	171.5	-22.1	33.7	0	0	0	111.5	P92 L93 L95 T112 W113	P92-P108 HydrophobicContact CB-CB 3.93Å; P92-P108 HydrophobicContact CB-CG 4.28Å; P92-P108 HydrophobicContact CG-CB 4.5Å; P92-P108 WeakPolarHBondContact CG-O 3.29Å; L93-P108 WeakPolarHBondContact O-CD 3.24Å; L93-P108 WeakPolarHBondContact O-CG 3.41Å; L95-P108 HydrophobicContact CD1-CG 3.92Å; L95-P108 HydrophobicContact CG-CG 4.09Å; P108-T112 WeakPolarHBondContact CA-O 3.37Å; P108-W113 HydrophobicContact CB-CE3 3.83Å; P108-W113 HydrophobicContact CB-CZ3 4.39Å; P108-W113 HydrophobicContact CG-CD2 4.43Å; P108-W113 HydrophobicContact CG-CE3 3.9Å; P108-W113 HydrophobicContact CG-CZ3 4.34Å
109	S	90.9	Very high	91.4	Very high	78 Å²	78	73 Å²	73	55%	0.545	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-122.3	124.7	171.5	-176.3	0	0	0	0	109.5	G111 T112	S109-G111 PolarHBondContact O-N 2.8Å; S109-G111 VanDerWaalsContact O-N 3.09Å; S109-T112 PolarHBondContact N-O 2.94Å; S109-T112 PolarHBondContact O-N 3.01Å; S109-T112 VanDerWaalsContact O-O 3.11Å; S109-T112 PolarHBondContact O-OG1 3.05Å; S109-T112 VanDerWaalsContact O-OG1 3.1Å
110	N	88.1	Confident	91.6	Very high	75 Å²	75	66.3 Å²	66.3	40%	0.401	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	38.7	-177.2	-73.8	-39.9	0	0	0	113.5	V409 T439	N110-V409 HydrophobicContact CB-CG1 4.34Å; N110-T439 WeakPolarHBondContact O-CB 3.2Å; N110-T439 PolarHBondContact O-OG1 3.39Å
111	G	90.9	Very high	92	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	16.4	179	0	0	0	0	0	115	S109 R480 S481	S109-G111 PolarHBondContact O-N 2.8Å; S109-G111 VanDerWaalsContact O-N 3.09Å; G111-R480 CarbonylContact O-C 3.52Å; G111-R480 VanDerWaalsContact O-CA 3.31Å; G111-R480 WeakPolarHBondContact O-CA 3.35Å; G111-S481 PolarHBondContact O-N 2.89Å
112	T	93.5	Very high	92.4	Very high	48 Å²	48	64.7 Å²	64.7	29%	0.294	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-135.7	151.3	176.8	65.8	0	0	0	0	112.1	P108 S109 R480	P108-T112 WeakPolarHBondContact CA-O 3.37Å; S109-T112 PolarHBondContact N-O 2.94Å; S109-T112 PolarHBondContact O-N 3.01Å; S109-T112 VanDerWaalsContact O-O 3.11Å; S109-T112 PolarHBondContact O-OG1 3.05Å; S109-T112 VanDerWaalsContact O-OG1 3.1Å; T112-R480 HydrophobicContact CG2-CG 4.18Å
113	W	93.7	Very high	92.7	Very high	17 Å²	17	56.3 Å²	56.3	6%	0.064	30%	0.296	C	S	.	.			trans	-148.1	176.2	171.1	60.6	102.2	0	0	0	110.3	L95 Y97 V106 P108 H473 M479 R480 S481	L95-W113 HydrophobicContact CD1-CD2 3.69Å; L95-W113 HydrophobicContact CD1-CE3 4.12Å; L95-W113 HydrophobicContact CD1-CG 4.21Å; L95-W113 HydrophobicContact CD1-CH2 3.95Å; L95-W113 HydrophobicContact CD1-CZ2 3.49Å; L95-W113 VanDerWaalsContact CD1-CZ2 3.49Å; L95-W113 HydrophobicContact CD1-CZ3 4.22Å; Y97-W113 AromaticContact CE2-NE1 3.95Å; Y97-W113 AromaticContact CZ-NE1 3.82Å; Y97-W113 PolarHBondContact OH-NE1 3.24Å; V106-W113 HydrophobicContact CG1-CB 3.79Å; V106-W113 HydrophobicContact CG1-CG 4.14Å; P108-W113 HydrophobicContact CB-CE3 3.83Å; P108-W113 HydrophobicContact CB-CZ3 4.39Å; P108-W113 HydrophobicContact CG-CD2 4.43Å; P108-W113 HydrophobicContact CG-CE3 3.9Å; P108-W113 HydrophobicContact CG-CZ3 4.34Å; W113-H473 HydrophobicContact CH2-CB 4.23Å; W113-H473 WeakPolarHBondContact CH2-O 3.34Å; W113-H473 AromaticContact CZ3-CD2 3.82Å; W113-M479 HydrophobicContact CD2-CB 4.26Å; W113-M479 HydrophobicContact CG-CB 4.22Å; W113-M479 PolarHBondContact N-O 3.16Å; W113-M479 VanDerWaalsContact N-O 3.09Å; W113-M479 VanDerWaalsContact O-CB 3.24Å; W113-M479 WeakPolarHBondContact O-CB 3.26Å; W113-R480 WeakPolarHBondContact CH2-O 3.28Å; W113-R480 VanDerWaalsContact CZ3-CA 3.47Å; W113-S481 VanDerWaalsContact CZ3-N 3.26Å
114	Q	89.9	Confident	93	Very high	112 Å²	112	53.4 Å²	53.4	52%	0.523	28%	0.276	S	S	.	.			trans	-137.1	147	177	-65.6	-175.7	-7.8	0	0	110	R116	Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 HydrophobicContact CB-CG 4.22Å; Q114-R116 PolarHBondContact O-N 2.66Å; Q114-R116 VanDerWaalsContact O-N 3.15Å; Q114-R116 VanDerWaalsContact OE1-CZ 3.27Å
115	M	87.3	Confident	93.1	Very high	26 Å²	26	57.7 Å²	57.7	13%	0.128	30%	0.298	C	S	.	.			trans	-84.9	72.5	171.8	-69	-178.9	74	0	0	110.5	Y97 V118 Q119 F120 L157 L248 M479	Y97-M115 HydrophobicContact CD1-CE 3.66Å; Y97-M115 HydrophobicContact CD1-CG 4.39Å; Y97-M115 HydrophobicContact CD1-SD 4.39Å; Y97-M115 HydrophobicContact CE1-CE 3.47Å; Y97-M115 VanDerWaalsContact CE1-CE 3.47Å; Y97-M115 HydrophobicContact CE1-CG 3.72Å; Y97-M115 HydrophobicContact CE1-SD 3.61Å; M115-V118 HydrophobicContact CB-CG2 3.78Å; M115-V118 HydrophobicContact CE-CG2 4.41Å; M115-V118 HydrophobicContact CG-CG2 4.06Å; M115-Q119 VanDerWaalsContact CE-C 3.5Å; M115-F120 HydrophobicContact CE-CD1 3.6Å; M115-F120 HydrophobicContact CE-CE1 3.87Å; M115-F120 HydrophobicContact CE-CG 4.47Å; M115-F120 HydrophobicContact SD-CD1 4.16Å; M115-F120 HydrophobicContact SD-CE1 3.94Å; M115-L157 HydrophobicContact CE-CD2 4.12Å; M115-L248 HydrophobicContact SD-CD2 4.21Å; M115-M479 HydrophobicContact CB-SD 4.02Å; M115-M479 HydrophobicContact CG-CG 4.37Å; M115-M479 HydrophobicContact CG-SD 3.69Å; M115-M479 PolarHBondContact N-SD 3.25Å; M115-M479 VanDerWaalsContact N-SD 3.4Å; M115-M479 HydrophobicContact SD-SD 4.34Å
116	R	85.4	Confident	93.2	Very high	175 Å²	175	54.2 Å²	54.2	66%	0.66	28%	0.276	S	S	*	.	S	Bend	trans	-90.9	123.2	172	-65.2	-173.4	-169.9	-177.8	2.6	109.7	Q114 V118	Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 HydrophobicContact CB-CG 4.22Å; Q114-R116 PolarHBondContact O-N 2.66Å; Q114-R116 VanDerWaalsContact O-N 3.15Å; Q114-R116 VanDerWaalsContact OE1-CZ 3.27Å; R116-V118 PolarHBondContact O-N 3.49Å; R116-V118 VanDerWaalsContact O-N 3.13Å
117	D	88.3	Confident	93.3	Very high	138 Å²	138	57.7 Å²	57.7	74%	0.738	29%	0.294	S	S	*	.	S	Bend	trans	54.9	31.8	177.4	-46.8	-49.3	0	0	0	113.5	R99	R99-D117 PolarHBondContact NE-O 3.47Å
118	V	95	Very high	93.5	Very high	10 Å²	10	53.8 Å²	53.8	6%	0.061	28%	0.277	C	S	.	.			trans	-137.3	154.3	175.8	-60.7	0	0	0	0	110.2	Y97 K98 A104 V106 M115 R116	Y97-V118 HydrophobicContact CD1-CG2 4.32Å; Y97-V118 HydrophobicContact CG-CB 4.47Å; Y97-V118 HydrophobicContact CG-CG2 4.15Å; K98-V118 CarbonylContact O-C 3.58Å; K98-V118 WeakPolarHBondContact O-CA 3.46Å; A104-V118 HydrophobicContact CB-CG1 3.73Å; V106-V118 HydrophobicContact CG2-CG1 4.35Å; V106-V118 HydrophobicContact CG2-CG2 4.33Å; M115-V118 HydrophobicContact CB-CG2 3.78Å; M115-V118 HydrophobicContact CE-CG2 4.41Å; M115-V118 HydrophobicContact CG-CG2 4.06Å; R116-V118 PolarHBondContact O-N 3.49Å; R116-V118 VanDerWaalsContact O-N 3.13Å
119	Q	96.6	Very high	93.7	Very high	52 Å²	52	53.5 Å²	53.5	24%	0.243	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-115	167.3	178.9	-67.9	-179.4	-51.6	0	0	109.4	Y97 K98 M115 F121 D156 L157	Y97-Q119 WeakPolarHBondContact CD1-O 3.44Å; K98-Q119 HydrophobicContact CB-CB 4.28Å; K98-Q119 PolarHBondContact N-O 3.44Å; K98-Q119 VanDerWaalsContact N-O 3.1Å; K98-Q119 PolarHBondContact O-N 3.5Å; M115-Q119 VanDerWaalsContact CE-C 3.5Å; Q119-F121 PolarHBondContact O-N 3.46Å; Q119-D156 PolarHBondContact NE2-O 3.47Å; Q119-L157 WeakPolarHBondContact CB-O 3.21Å
120	F	97.2	Very high	94.1	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.249	C	C	.	.			trans	-52.5	141.8	171.6	-60.4	-43.2	0	0	0	110.4	K98 M115 Q122 L157 M159 A247 L248 N251 N258	K98-F120 WeakPolarHBondContact CB-O 3.35Å; M115-F120 HydrophobicContact CE-CD1 3.6Å; M115-F120 HydrophobicContact CE-CE1 3.87Å; M115-F120 HydrophobicContact CE-CG 4.47Å; M115-F120 HydrophobicContact SD-CD1 4.16Å; M115-F120 HydrophobicContact SD-CE1 3.94Å; F120-Q122 PolarHBondContact O-N 2.94Å; F120-L157 HydrophobicContact CD2-CB 3.93Å; F120-L157 VanDerWaalsContact CD2-O 3.32Å; F120-L157 WeakPolarHBondContact CD2-O 3.38Å; F120-L157 HydrophobicContact CE1-CB 4.35Å; F120-L157 HydrophobicContact CE1-CD1 4.15Å; F120-L157 HydrophobicContact CE2-CB 3.57Å; F120-L157 HydrophobicContact CE2-CD1 4.18Å; F120-L157 HydrophobicContact CG-CB 4.49Å; F120-L157 HydrophobicContact CZ-CB 3.8Å; F120-L157 HydrophobicContact CZ-CD1 3.61Å; F120-L157 HydrophobicContact CZ-CG 4.32Å; F120-L157 PolarHBondContact N-O 2.94Å; F120-M159 HydrophobicContact CD2-CG 3.84Å; F120-M159 HydrophobicContact CE2-CG 3.87Å; F120-M159 HydrophobicContact CE2-SD 4.11Å; F120-A247 HydrophobicContact CE2-CB 4.44Å; F120-A247 HydrophobicContact CZ-CB 4.01Å; F120-L248 HydrophobicContact CD1-CD2 4.36Å; F120-L248 HydrophobicContact CE1-CD2 3.57Å; F120-L248 HydrophobicContact CE1-CG 4.24Å; F120-L248 HydrophobicContact CZ-CD2 4.38Å; F120-N251 HydrophobicContact CD2-CB 3.81Å; F120-N251 VanDerWaalsContact CD2-CG 3.4Å; F120-N251 WeakPolarHBondContact CD2-ND2 3.3Å; F120-N251 HydrophobicContact CE2-CB 3.62Å; F120-N251 HydrophobicContact CG-CB 4.44Å; F120-N251 WeakPolarHBondContact CG-ND2 3.41Å; F120-N251 HydrophobicContact CZ-CB 4.13Å; F120-N258 WeakPolarHBondContact CA-O 3.36Å; F120-N258 HydrophobicContact CD1-CB 4.07Å; F120-N258 HydrophobicContact CE1-CB 4.49Å
121	F	96.1	Very high	94.6	Very high	47 Å²	47	46.2 Å²	46.2	21%	0.206	23%	0.23	C	C	.	.	S	Bend	trans	-51.8	-45.3	176	178.5	-87.5	0	0	0	110.8	E96 Q119 V257 N258 R260	E96-F121 HydrophobicContact CB-CD2 4.25Å; E96-F121 HydrophobicContact CB-CE2 4.47Å; E96-F121 HydrophobicContact CG-CD2 3.97Å; E96-F121 HydrophobicContact CG-CE2 3.94Å; Q119-F121 PolarHBondContact O-N 3.46Å; F121-V257 HydrophobicContact CB-CG1 4.23Å; F121-V257 WeakPolarHBondContact CB-O 3.38Å; F121-V257 HydrophobicContact CD1-CB 4.24Å; F121-V257 HydrophobicContact CD1-CG1 4.11Å; F121-V257 HydrophobicContact CG-CG1 4.48Å; F121-V257 PolarHBondContact N-O 3.38Å; F121-V257 VanDerWaalsContact N-O 3.14Å; F121-N258 PolarHBondContact N-O 3.48Å; F121-R260 HydrophobicContact CD1-CG 4.02Å; F121-R260 HydrophobicContact CD2-CG 4.37Å; F121-R260 HydrophobicContact CE1-CG 4.27Å; F121-R260 VanDerWaalsContact CE1-NE 3.33Å; F121-R260 VanDerWaalsContact CE1-NH1 3.3Å; F121-R260 HydrophobicContact CG-CG 4.1Å
122	Q	96.2	Very high	94.9	Very high	86 Å²	86	46.2 Å²	46.2	40%	0.402	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-137.2	119.3	171	-176.7	177.5	-29.8	0	0	109.4	F120 N251 G256 V257	F120-Q122 PolarHBondContact O-N 2.94Å; Q122-N251 PolarHBondContact O-ND2 2.92Å; Q122-G256 CarbonylContact O-C 3.58Å; Q122-G256 VanDerWaalsContact O-CA 3.28Å; Q122-G256 WeakPolarHBondContact O-CA 3.26Å; Q122-V257 HydrophobicContact CB-CB 4.01Å; Q122-V257 HydrophobicContact CB-CG2 4.48Å; Q122-V257 PolarHBondContact N-O 3.02Å; Q122-V257 CarbonylContact O-C 3.55Å; Q122-V257 PolarHBondContact O-N 2.89Å; Q122-V257 VanDerWaalsContact O-O 3.13Å
123	G	96.6	Very high	95.2	Very high	21 Å²	21	44 Å²	44	22%	0.216	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-80.2	136.7	172.3	0	0	0	0	0	111.1	N251	G123-N251 WeakPolarHBondContact CA-OD1 3.21Å
124	G	96.4	Very high	95.3	Very high	4 Å²	4	43.3 Å²	43.3	4%	0.041	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-79.7	160.4	172.5	0	0	0	0	0	112.5	N160 N251	G124-N160 PolarHBondContact O-N 3Å; G124-N160 VanDerWaalsContact O-N 3.14Å; G124-N251 PolarHBondContact N-OD1 3.43Å
125	D	97	Very high	95.5	Very high	100 Å²	100	38.7 Å²	38.7	54%	0.535	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.1	177.7	-69.4	-64.4	0	0	0	111	N160	D125-N160 WeakPolarHBondContact OD1-CB 3.18Å; D125-N160 PolarHBondContact OD1-ND2 3.5Å
126	C	97.2	Very high	95.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	59.9	177.8	-174.7	0	0	0	0	110.7	N128 N160 M161 G162 L197 M254	C126-N128 VanDerWaalsContact C-N 3.35Å; C126-N128 PolarHBondContact O-N 2.97Å; C126-N160 CarbonylContact C-O 3.37Å; C126-N160 PolarHBondContact N-O 3.17Å; C126-M161 HydrophobicContact CB-CG 4.13Å; C126-M161 WeakPolarHBondContact O-CA 3.5Å; C126-G162 PolarHBondContact O-N 3.39Å; C126-L197 VanDerWaalsContact SG-CB 3.55Å; C126-M254 HydrophobicContact CB-CG 3.94Å; C126-M254 HydrophobicContact CB-SD 3.76Å
127	L	96	Very high	96.2	Very high	94 Å²	94	35.8 Å²	35.8	49%	0.492	20%	0.201	S	C	.	.			trans	-62.3	-39.6	-176	-70.9	176.2	0	0	0	113.2	N160 G162	L127-N160 WeakPolarHBondContact CD2-OD1 3.44Å; L127-G162 VanDerWaalsContact O-CA 3.32Å; L127-G162 WeakPolarHBondContact O-CA 3.36Å
128	N	97.4	Very high	96.4	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.203	20%	0.202	C	C	.	.			trans	-120	121.3	-178.6	-39	-52.4	0	0	0	110.5	C126 Y188 V194 L196	C126-N128 VanDerWaalsContact C-N 3.35Å; C126-N128 PolarHBondContact O-N 2.97Å; N128-Y188 HydrophobicContact CB-CE1 3.59Å; N128-V194 WeakPolarHBondContact CB-O 3.21Å; N128-V194 PolarHBondContact ND2-O 2.92Å; N128-L196 PolarHBondContact O-N 2.85Å
129	F	98.4	Very high	96.1	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.8	174.4	65.6	-93.2	0	0	0	110	C147 A151 M161 G162 K164 A165 D166 Y188 L197 F199	F129-C147 HydrophobicContact CE2-CB 3.94Å; F129-A151 HydrophobicContact CE1-CB 4.29Å; F129-A151 HydrophobicContact CZ-CB 4.02Å; F129-M161 HydrophobicContact CD1-CE 3.57Å; F129-M161 HydrophobicContact CD1-CG 4.1Å; F129-M161 HydrophobicContact CD2-CE 4.38Å; F129-M161 HydrophobicContact CE1-CE 3.57Å; F129-M161 HydrophobicContact CE1-CG 3.82Å; F129-M161 HydrophobicContact CE1-SD 4.49Å; F129-M161 HydrophobicContact CE2-CE 4.41Å; F129-M161 HydrophobicContact CG-CE 3.98Å; F129-M161 HydrophobicContact CZ-CE 4.02Å; F129-G162 WeakPolarHBondContact CE1-O 3.28Å; F129-K164 WeakPolarHBondContact CZ-O 3.45Å; F129-A165 HydrophobicContact CD2-CB 4.13Å; F129-A165 VanDerWaalsContact CE2-CA 3.46Å; F129-A165 HydrophobicContact CE2-CB 3.85Å; F129-A165 CarbonylContact O-C 3.57Å; F129-A165 WeakPolarHBondContact O-CA 3.3Å; F129-D166 PolarHBondContact O-N 2.77Å; F129-Y188 PolarHBondContact N-OH 3.15Å; F129-Y188 PolarHBondContact O-OH 3.23Å; F129-L197 VanDerWaalsContact CA-O 3.23Å; F129-L197 WeakPolarHBondContact CA-O 3.22Å; F129-L197 HydrophobicContact CB-CB 3.95Å; F129-L197 WeakPolarHBondContact CB-O 3.35Å; F129-F199 AromaticContact CD2-CD2 3.72Å; F129-F199 HydrophobicContact CD2-CD2 3.72Å; F129-F199 AromaticContact CD2-CE2 3.73Å; F129-F199 HydrophobicContact CD2-CE2 3.73Å; F129-F199 HydrophobicContact CE2-CD2 4.14Å; F129-F199 AromaticContact CE2-CE2 3.95Å; F129-F199 HydrophobicContact CE2-CE2 3.95Å; F129-F199 HydrophobicContact CG-CE2 4.29Å
130	S	98.6	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	175.4	178.4	-75	0	0	0	0	111	T167 Y188 L197 F199	S130-T167 WeakPolarHBondContact CA-O 3.17Å; S130-T167 VanDerWaalsContact CB-O 3.25Å; S130-T167 WeakPolarHBondContact CB-O 3.23Å; S130-T167 PolarHBondContact OG-N 3.07Å; S130-T167 PolarHBondContact OG-O 3.2Å; S130-Y188 VanDerWaalsContact OG-CE2 3.29Å; S130-Y188 WeakPolarHBondContact OG-CE2 3.29Å; S130-Y188 PolarHBondContact OG-OH 2.83Å; S130-L197 PolarHBondContact N-O 2.77Å; S130-L197 VanDerWaalsContact N-O 3.16Å; S130-F199 PolarHBondContact O-N 3.19Å
131	A	98.6	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.6	175.9	0	0	0	0	0	113.5	V143 T167 L168 L169 F199	A131-V143 HydrophobicContact CB-CG1 3.77Å; A131-T167 PolarHBondContact N-O 2.72Å; A131-L168 HydrophobicContact CB-CD2 3.62Å; A131-L168 WeakPolarHBondContact O-CA 3.25Å; A131-L169 PolarHBondContact O-N 2.82Å; A131-F199 CarbonylContact C-O 3.5Å; A131-F199 WeakPolarHBondContact CA-O 3.48Å; A131-F199 HydrophobicContact CB-CB 3.8Å
132	I	98.4	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	168.4	-67.1	170.4	0	0	0	108.6	L169 V171 F177 A180 V181 L184 L198 F199 V200 A201	I132-L169 CarbonylContact C-O 3.56Å; I132-L169 VanDerWaalsContact CA-O 3.31Å; I132-L169 WeakPolarHBondContact CA-O 3.34Å; I132-L169 HydrophobicContact CG1-CB 4.19Å; I132-V171 HydrophobicContact CG2-CG1 4.21Å; I132-V171 HydrophobicContact CG2-CG2 3.85Å; I132-F177 HydrophobicContact CB-CE2 4.21Å; I132-F177 HydrophobicContact CD1-CD2 4.44Å; I132-F177 HydrophobicContact CD1-CE2 3.96Å; I132-F177 HydrophobicContact CG2-CD2 4.01Å; I132-F177 HydrophobicContact CG2-CE2 3.95Å; I132-A180 HydrophobicContact CD1-CB 3.9Å; I132-V181 HydrophobicContact CD1-CG2 3.83Å; I132-L184 HydrophobicContact CD1-CD1 4.42Å; I132-L184 HydrophobicContact CG1-CD1 4.4Å; I132-L198 HydrophobicContact CB-CD1 4.48Å; I132-L198 HydrophobicContact CD1-CD1 4.1Å; I132-L198 HydrophobicContact CD1-CD2 4Å; I132-L198 HydrophobicContact CG1-CD1 3.97Å; I132-F199 PolarHBondContact N-O 2.68Å; I132-V200 CarbonylContact O-C 3.59Å; I132-V200 VanDerWaalsContact O-CA 3.29Å; I132-V200 WeakPolarHBondContact O-CA 3.33Å; I132-A201 PolarHBondContact O-N 3.05Å
133	A	98.2	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	174.6	0	0	0	0	0	111.6	L140 V143 L169 T170 V171 A201	A133-L140 HydrophobicContact CB-CD2 4.11Å; A133-V143 HydrophobicContact CB-CG2 4.04Å; A133-L169 PolarHBondContact N-O 2.87Å; A133-T170 HydrophobicContact CB-CG2 4.43Å; A133-T170 CarbonylContact O-C 3.59Å; A133-T170 VanDerWaalsContact O-CA 3.26Å; A133-T170 WeakPolarHBondContact O-CA 3.49Å; A133-V171 PolarHBondContact O-N 2.91Å; A133-A201 HydrophobicContact CB-CB 3.92Å
134	F	97.6	Very high	96.2	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.1	164.5	-74.2	-92.6	0	0	0	109.3	V171 D173 I174 F177 V200 A201 L202 E207 V211	F134-V171 CarbonylContact C-O 3.54Å; F134-V171 VanDerWaalsContact CA-O 3.31Å; F134-V171 WeakPolarHBondContact CA-O 3.35Å; F134-V171 HydrophobicContact CD1-CG2 3.58Å; F134-V171 HydrophobicContact CD2-CG2 4.22Å; F134-V171 HydrophobicContact CE1-CG2 3.6Å; F134-V171 HydrophobicContact CE2-CG2 4.24Å; F134-V171 HydrophobicContact CG-CG2 3.91Å; F134-V171 HydrophobicContact CZ-CG2 3.94Å; F134-D173 WeakPolarHBondContact CE1-O 3.46Å; F134-I174 HydrophobicContact CE1-CG2 4.27Å; F134-F177 HydrophobicContact CE1-CB 4.48Å; F134-F177 AromaticContact CE2-CD2 3.79Å; F134-F177 HydrophobicContact CE2-CD2 3.79Å; F134-F177 HydrophobicContact CE2-CE2 4.2Å; F134-F177 HydrophobicContact CZ-CB 3.97Å; F134-F177 AromaticContact CZ-CD2 3.63Å; F134-F177 HydrophobicContact CZ-CD2 3.63Å; F134-F177 HydrophobicContact CZ-CE2 4.44Å; F134-F177 AromaticContact CZ-CG 3.96Å; F134-F177 HydrophobicContact CZ-CG 3.96Å; F134-V200 HydrophobicContact CD2-CG1 4.09Å; F134-V200 HydrophobicContact CE2-CG1 3.8Å; F134-A201 PolarHBondContact N-O 3.06Å; F134-L202 HydrophobicContact CD2-CD2 3.99Å; F134-L202 HydrophobicContact CE2-CD2 4Å; F134-E207 WeakPolarHBondContact CB-OE1 3.46Å; F134-E207 WeakPolarHBondContact CB-OE2 3.31Å; F134-E207 VanDerWaalsContact CD1-CD 3.47Å; F134-E207 HydrophobicContact CD1-CG 3.94Å; F134-E207 WeakPolarHBondContact CD1-OE1 3.48Å; F134-E207 HydrophobicContact CD2-CB 4.45Å; F134-E207 HydrophobicContact CE1-CB 4.29Å; F134-E207 HydrophobicContact CE1-CG 4.03Å; F134-E207 HydrophobicContact CE2-CB 4.23Å; F134-E207 HydrophobicContact CG-CG 4.23Å; F134-E207 WeakPolarHBondContact CG-OE2 3.13Å; F134-E207 HydrophobicContact CZ-CB 4.14Å; F134-E207 HydrophobicContact CZ-CG 4.39Å; F134-V211 HydrophobicContact CE2-CG2 3.63Å; F134-V211 HydrophobicContact CZ-CG2 3.93Å
135	G	94	Very high	96.2	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	24%	0.242	C	C	.	.	S	Bend	trans	123.7	-167.8	180	0	0	0	0	0	114.1	V171	G135-V171 PolarHBondContact N-O 3.23Å
136	P	93.3	Very high	96.3	Very high	70 Å²	70	35 Å²	35	46%	0.455	22%	0.217	S	C	.	.			trans	-72	155	-172.8	29.4	-35.4	0	0	0	112.7	S138 S139	P136-S138 PolarHBondContact O-N 3.45Å; P136-S139 WeakPolarHBondContact O-CB 3.28Å; P136-S139 PolarHBondContact O-N 3.11Å; P136-S139 PolarHBondContact O-OG 3.46Å
137	P	93.7	Very high	96.4	Very high	70 Å²	70	35 Å²	35	46%	0.455	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-53.6	-27.1	176.2	-28.9	36.1	0	0	0	115	S139 L140	P137-S139 PolarHBondContact O-N 3.2Å; P137-S139 VanDerWaalsContact O-N 3.1Å; P137-L140 WeakPolarHBondContact O-CB 3.39Å; P137-L140 WeakPolarHBondContact O-CG 3.39Å; P137-L140 PolarHBondContact O-N 3.29Å
138	S	92.3	Very high	96.5	Very high	108 Å²	108	33.6 Å²	33.6	76%	0.755	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.3	-19.1	176.4	56.4	0	0	0	0	113.9	P136	P136-S138 PolarHBondContact O-N 3.45Å
139	S	88.8	Confident	96.5	Very high	20 Å²	20	33.6 Å²	33.6	14%	0.14	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-76.8	-20.2	175.7	66.1	0	0	0	0	114	P136 P137 G141 K142 V143	P136-S139 WeakPolarHBondContact O-CB 3.28Å; P136-S139 PolarHBondContact O-N 3.11Å; P136-S139 PolarHBondContact O-OG 3.46Å; P137-S139 PolarHBondContact O-N 3.2Å; P137-S139 VanDerWaalsContact O-N 3.1Å; S139-G141 VanDerWaalsContact C-N 3.31Å; S139-G141 PolarHBondContact O-N 3.42Å; S139-K142 PolarHBondContact O-N 2.86Å; S139-V143 PolarHBondContact O-N 3.27Å
140	L	95.4	Very high	96.5	Very high	35 Å²	35	33.5 Å²	33.5	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-34.7	-170.9	-72.1	-176.6	0	0	0	113.7	A133 P137 K142 V143 G144 L168 T170	A133-L140 HydrophobicContact CB-CD2 4.11Å; P137-L140 WeakPolarHBondContact O-CB 3.39Å; P137-L140 WeakPolarHBondContact O-CG 3.39Å; P137-L140 PolarHBondContact O-N 3.29Å; L140-K142 PolarHBondContact O-N 3.45Å; L140-V143 PolarHBondContact O-N 3.47Å; L140-G144 PolarHBondContact O-N 3.43Å; L140-L168 HydrophobicContact CD1-CB 4.44Å; L140-L168 HydrophobicContact CD2-CB 4.18Å; L140-T170 HydrophobicContact CD1-CG2 3.85Å; L140-T170 HydrophobicContact CD2-CG2 3.46Å; L140-T170 VanDerWaalsContact CD2-CG2 3.46Å; L140-T170 HydrophobicContact CG-CG2 3.5Å; L140-T170 VanDerWaalsContact CG-CG2 3.5Å
141	G	96.2	Very high	96.5	Very high	59 Å²	59	33.5 Å²	33.5	61%	0.608	21%	0.213	S	C	*	.	H	α-helix	trans	-57.9	-48.8	178.1	0	0	0	0	0	112.1	S139 V143 G144 E145	S139-G141 VanDerWaalsContact C-N 3.31Å; S139-G141 PolarHBondContact O-N 3.42Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.28Å; G141-G144 PolarHBondContact O-N 2.84Å; G141-E145 PolarHBondContact O-N 2.83Å
142	K	96.2	Very high	96.5	Very high	124 Å²	124	40 Å²	40	54%	0.539	24%	0.241	S	C	.	.	H	α-helix	trans	-66.9	-35	177.4	-67.9	-175.9	179.1	177.9	0	112.2	S139 L140 E145 F146 L231	S139-K142 PolarHBondContact O-N 2.86Å; L140-K142 PolarHBondContact O-N 3.45Å; K142-E145 PolarHBondContact O-N 2.77Å; K142-F146 WeakPolarHBondContact O-CB 3.3Å; K142-F146 PolarHBondContact O-N 2.85Å; K142-L231 HydrophobicContact CB-CD1 4.33Å; K142-L231 HydrophobicContact CB-CD2 4.17Å
143	V	97.8	Very high	96.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-39.4	176.3	172.8	0	0	0	0	111.2	A131 A133 S139 L140 G141 F146 C147 L168 A201 F226	A131-V143 HydrophobicContact CB-CG1 3.77Å; A133-V143 HydrophobicContact CB-CG2 4.04Å; S139-V143 PolarHBondContact O-N 3.27Å; L140-V143 PolarHBondContact O-N 3.47Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.28Å; V143-F146 WeakPolarHBondContact O-CB 3.45Å; V143-F146 PolarHBondContact O-N 3.43Å; V143-C147 PolarHBondContact O-N 2.97Å; V143-C147 PolarHBondContact O-SG 3.37Å; V143-L168 HydrophobicContact CG1-CD2 4.45Å; V143-A201 HydrophobicContact CG2-CB 3.82Å; V143-F226 HydrophobicContact CG1-CZ 4.27Å; V143-F226 HydrophobicContact CG2-CZ 4.43Å
144	G	98.1	Very high	96.5	Very high	15 Å²	15	41.1 Å²	41.1	16%	0.155	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-43.8	173.2	0	0	0	0	0	112.7	L140 G141 C147 T148	L140-G144 PolarHBondContact O-N 3.43Å; G141-G144 PolarHBondContact O-N 2.84Å; G144-C147 PolarHBondContact O-N 3.46Å; G144-T148 PolarHBondContact O-N 3.46Å; G144-T148 PolarHBondContact O-OG1 3.46Å
145	E	98	Very high	96.5	Very high	81 Å²	81	43.4 Å²	43.4	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-42.1	174.7	-173.6	179.7	176.7	0	0	112	G141 K142 C147 T148 T149 V235	G141-E145 PolarHBondContact O-N 2.83Å; K142-E145 PolarHBondContact O-N 2.77Å; E145-C147 PolarHBondContact O-N 3.14Å; E145-T148 PolarHBondContact O-N 3.34Å; E145-T149 WeakPolarHBondContact O-CB 3.37Å; E145-T149 PolarHBondContact O-N 3.06Å; E145-T149 PolarHBondContact O-OG1 3.02Å; E145-V235 HydrophobicContact CB-CG2 4.48Å; E145-V235 HydrophobicContact CG-CG1 4.24Å; E145-V235 HydrophobicContact CG-CG2 4.42Å; E145-V235 VanDerWaalsContact OE2-CG1 3.3Å; E145-V235 WeakPolarHBondContact OE2-CG1 3.36Å
146	F	98.4	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.5	-52.2	173.3	173.1	-87.1	0	0	0	111.3	K142 V143 T148 T149 V150 F199 F226 T230 L231 V234 V235 L246	K142-F146 WeakPolarHBondContact O-CB 3.3Å; K142-F146 PolarHBondContact O-N 2.85Å; V143-F146 WeakPolarHBondContact O-CB 3.45Å; V143-F146 PolarHBondContact O-N 3.43Å; F146-T148 VanDerWaalsContact C-N 3.33Å; F146-T148 PolarHBondContact O-N 3.38Å; F146-T149 PolarHBondContact O-N 3.15Å; F146-V150 HydrophobicContact CD1-CG2 4.23Å; F146-V150 HydrophobicContact CD2-CG2 4.44Å; F146-V150 HydrophobicContact CE1-CG2 3.86Å; F146-V150 HydrophobicContact CE2-CG2 4.1Å; F146-V150 HydrophobicContact CG-CG2 4.5Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CG2 3.3Å; F146-V150 PolarHBondContact O-N 3.28Å; F146-F199 AromaticContact CE1-CD1 3.83Å; F146-F199 HydrophobicContact CE1-CD1 3.83Å; F146-F199 AromaticContact CE1-CE1 3.99Å; F146-F199 HydrophobicContact CE1-CE1 3.99Å; F146-F226 HydrophobicContact CD1-CD1 4.22Å; F146-F226 AromaticContact CD1-CE1 3.68Å; F146-F226 HydrophobicContact CD1-CE1 3.68Å; F146-F226 HydrophobicContact CD1-CE2 4.12Å; F146-F226 AromaticContact CD1-CZ 3.61Å; F146-F226 HydrophobicContact CD1-CZ 3.61Å; F146-F226 HydrophobicContact CD2-CD2 4.41Å; F146-F226 HydrophobicContact CD2-CE2 4.27Å; F146-F226 AromaticContact CE1-CD1 3.47Å; F146-F226 HydrophobicContact CE1-CD1 3.47Å; F146-F226 VanDerWaalsContact CE1-CD1 3.47Å; F146-F226 HydrophobicContact CE1-CD2 4.29Å; F146-F226 AromaticContact CE1-CE1 3.37Å; F146-F226 HydrophobicContact CE1-CE1 3.37Å; F146-F226 HydrophobicContact CE1-CE2 4.21Å; F146-F226 AromaticContact CE1-CG 3.94Å; F146-F226 HydrophobicContact CE1-CG 3.94Å; F146-F226 AromaticContact CE1-CZ 3.75Å; F146-F226 HydrophobicContact CE1-CZ 3.75Å; F146-F226 HydrophobicContact CE2-CD1 4.49Å; F146-F226 HydrophobicContact CE2-CD2 4.05Å; F146-F226 HydrophobicContact CE2-CE2 4.33Å; F146-F226 HydrophobicContact CE2-CG 4.12Å; F146-F226 HydrophobicContact CG-CE2 4.17Å; F146-F226 HydrophobicContact CG-CZ 4.06Å; F146-F226 HydrophobicContact CZ-CB 4.11Å; F146-F226 AromaticContact CZ-CD1 3.63Å; F146-F226 HydrophobicContact CZ-CD1 3.63Å; F146-F226 AromaticContact CZ-CD2 3.99Å; F146-F226 HydrophobicContact CZ-CD2 3.99Å; F146-F226 AromaticContact CZ-CE1 3.97Å; F146-F226 HydrophobicContact CZ-CE1 3.97Å; F146-F226 HydrophobicContact CZ-CE2 4.31Å; F146-F226 AromaticContact CZ-CG 3.63Å; F146-F226 HydrophobicContact CZ-CG 3.63Å; F146-F226 HydrophobicContact CZ-CZ 4.28Å; F146-T230 HydrophobicContact CE2-CG2 4.29Å; F146-L231 HydrophobicContact CB-CD1 3.55Å; F146-L231 HydrophobicContact CD2-CD1 3.88Å; F146-L231 HydrophobicContact CG-CD1 3.97Å; F146-V234 HydrophobicContact CD2-CB 3.7Å; F146-V234 HydrophobicContact CD2-CG1 3.62Å; F146-V234 HydrophobicContact CD2-CG2 4.05Å; F146-V234 HydrophobicContact CE2-CB 3.87Å; F146-V234 HydrophobicContact CE2-CG1 4.07Å; F146-V234 HydrophobicContact CE2-CG2 3.67Å; F146-V234 HydrophobicContact CG-CG1 4.4Å; F146-V235 HydrophobicContact CB-CG2 3.91Å; F146-L246 HydrophobicContact CE2-CD1 4.06Å; F146-L246 HydrophobicContact CZ-CD1 3.83Å
147	C	98.5	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-45.5	-178.9	-68	0	0	0	0	111.5	F129 V143 G144 E145 T149 V150 A151 A165 F199	F129-C147 HydrophobicContact CE2-CB 3.94Å; V143-C147 PolarHBondContact O-N 2.97Å; V143-C147 PolarHBondContact O-SG 3.37Å; G144-C147 PolarHBondContact O-N 3.46Å; E145-C147 PolarHBondContact O-N 3.14Å; C147-T149 VanDerWaalsContact C-N 3.35Å; C147-T149 PolarHBondContact O-N 3.38Å; C147-V150 PolarHBondContact O-N 2.83Å; C147-A151 VanDerWaalsContact O-CB 3.22Å; C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 2.82Å; C147-A165 HydrophobicContact CB-CB 4.49Å; C147-F199 HydrophobicContact CB-CD2 4.45Å
148	T	98.5	Very high	96.9	Very high	65 Å²	65	42.6 Å²	42.6	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-43.1	178.1	-55.4	0	0	0	0	111.5	G144 E145 F146 A151 K152	G144-T148 PolarHBondContact O-N 3.46Å; G144-T148 PolarHBondContact O-OG1 3.46Å; E145-T148 PolarHBondContact O-N 3.34Å; F146-T148 VanDerWaalsContact C-N 3.33Å; F146-T148 PolarHBondContact O-N 3.38Å; T148-A151 PolarHBondContact O-N 2.98Å; T148-K152 PolarHBondContact O-N 3.47Å
149	T	98.3	Very high	97.1	Very high	37 Å²	37	37.9 Å²	37.9	23%	0.227	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-44.1	-179.3	-54.3	0	0	0	0	111.6	E145 F146 C147 K152 V153 V234 L243	E145-T149 WeakPolarHBondContact O-CB 3.37Å; E145-T149 PolarHBondContact O-N 3.06Å; E145-T149 PolarHBondContact O-OG1 3.02Å; F146-T149 PolarHBondContact O-N 3.15Å; C147-T149 VanDerWaalsContact C-N 3.35Å; C147-T149 PolarHBondContact O-N 3.38Å; T149-K152 PolarHBondContact O-N 3.06Å; T149-V153 PolarHBondContact O-N 3.26Å; T149-V234 HydrophobicContact CG2-CG1 4.08Å; T149-L243 HydrophobicContact CG2-CD1 4.11Å; T149-L243 HydrophobicContact CG2-CD2 3.89Å
150	V	98.5	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-45	176.5	172.7	0	0	0	0	110.5	F146 C147 K152 V153 C154 F199 V234 L243 L246 I250	F146-V150 HydrophobicContact CD1-CG2 4.23Å; F146-V150 HydrophobicContact CD2-CG2 4.44Å; F146-V150 HydrophobicContact CE1-CG2 3.86Å; F146-V150 HydrophobicContact CE2-CG2 4.1Å; F146-V150 HydrophobicContact CG-CG2 4.5Å; F146-V150 HydrophobicContact CZ-CG2 3.79Å; F146-V150 WeakPolarHBondContact O-CG2 3.3Å; F146-V150 PolarHBondContact O-N 3.28Å; C147-V150 PolarHBondContact O-N 2.83Å; V150-K152 VanDerWaalsContact C-N 3.31Å; V150-K152 PolarHBondContact O-N 2.87Å; V150-V153 PolarHBondContact O-N 2.88Å; V150-C154 PolarHBondContact O-N 3.26Å; V150-C154 PolarHBondContact O-SG 2.79Å; V150-F199 HydrophobicContact CB-CZ 4.43Å; V150-F199 HydrophobicContact CG1-CE1 4.15Å; V150-F199 HydrophobicContact CG1-CZ 3.9Å; V150-V234 HydrophobicContact CG2-CG1 4.39Å; V150-L243 HydrophobicContact CG2-CD2 3.95Å; V150-L246 HydrophobicContact CG2-CD1 4.03Å; V150-I250 HydrophobicContact CG1-CD1 3.45Å; V150-I250 VanDerWaalsContact CG1-CD1 3.45Å
151	A	98.5	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-38.7	178.9	0	0	0	0	0	112.5	F129 C147 T148 V153 C154 N155 M161 G162	F129-A151 HydrophobicContact CE1-CB 4.29Å; F129-A151 HydrophobicContact CZ-CB 4.02Å; C147-A151 VanDerWaalsContact O-CB 3.22Å; C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 2.82Å; T148-A151 PolarHBondContact O-N 2.98Å; A151-V153 PolarHBondContact O-N 3.16Å; A151-C154 PolarHBondContact O-N 2.99Å; A151-N155 PolarHBondContact O-N 2.56Å; A151-N155 PolarHBondContact O-ND2 2.92Å; A151-M161 HydrophobicContact CB-CE 4.24Å; A151-M161 HydrophobicContact CB-CG 4.09Å; A151-M161 HydrophobicContact CB-SD 3.91Å; A151-G162 VanDerWaalsContact CB-O 3.25Å; A151-G162 WeakPolarHBondContact CB-O 3.27Å
152	K	98.1	Very high	97.7	Very high	136 Å²	136	36.8 Å²	36.8	59%	0.591	20%	0.199	S	C	*	.	H	α-helix	trans	-56.6	-51	172.6	-176.4	-174.3	173.8	-174.9	0	111.2	T148 T149 V150 C154 N155 D156	T148-K152 PolarHBondContact O-N 3.47Å; T149-K152 PolarHBondContact O-N 3.06Å; V150-K152 VanDerWaalsContact C-N 3.31Å; V150-K152 PolarHBondContact O-N 2.87Å; K152-C154 VanDerWaalsContact C-N 3.32Å; K152-C154 PolarHBondContact O-N 2.76Å; K152-N155 PolarHBondContact O-N 2.81Å; K152-N155 VanDerWaalsContact O-N 3.17Å; K152-D156 VanDerWaalsContact O-CG 3.25Å; K152-D156 PolarHBondContact O-N 2.91Å
153	V	97.4	Very high	97.8	Very high	25 Å²	25	41.1 Å²	41.1	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-36.7	-179.6	174.6	0	0	0	0	112	T149 V150 A151 N155 D156 L157 L243 A247	T149-V153 PolarHBondContact O-N 3.26Å; V150-V153 PolarHBondContact O-N 2.88Å; A151-V153 PolarHBondContact O-N 3.16Å; V153-N155 VanDerWaalsContact C-N 3.34Å; V153-N155 PolarHBondContact O-N 3.47Å; V153-D156 PolarHBondContact O-N 3.14Å; V153-L157 HydrophobicContact CG1-CD1 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.41Å; V153-L157 WeakPolarHBondContact O-CB 3.38Å; V153-L157 VanDerWaalsContact O-CG 3.31Å; V153-L157 WeakPolarHBondContact O-CG 3.4Å; V153-L157 PolarHBondContact O-N 2.96Å; V153-L243 HydrophobicContact CG1-CB 4.32Å; V153-L243 HydrophobicContact CG2-CB 4.12Å; V153-L243 HydrophobicContact CG2-CD1 4.2Å; V153-L243 HydrophobicContact CG2-CD2 4.16Å; V153-L243 HydrophobicContact CG2-CG 4.4Å; V153-A247 HydrophobicContact CG1-CB 4.2Å
154	C	98.1	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-45.3	173.8	-65	0	0	0	0	111.2	V150 A151 K152 L157 G158 M159 M161	V150-C154 PolarHBondContact O-N 3.26Å; V150-C154 PolarHBondContact O-SG 2.79Å; A151-C154 PolarHBondContact O-N 2.99Å; K152-C154 VanDerWaalsContact C-N 3.32Å; K152-C154 PolarHBondContact O-N 2.76Å; C154-L157 CarbonylContact O-C 3.57Å; C154-L157 PolarHBondContact O-N 3.06Å; C154-G158 PolarHBondContact O-N 3.26Å; C154-M159 HydrophobicContact CB-CB 4.14Å; C154-M159 HydrophobicContact CB-CG 4.23Å; C154-M159 HydrophobicContact CB-SD 3.72Å; C154-M159 VanDerWaalsContact O-CB 3.29Å; C154-M159 WeakPolarHBondContact O-CB 3.39Å; C154-M159 PolarHBondContact O-N 3.32Å; C154-M161 HydrophobicContact CB-CB 4.35Å; C154-M161 HydrophobicContact CB-SD 3.74Å
155	N	97.9	Very high	97.8	Very high	50 Å²	50	48 Å²	48	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-65.7	-42.7	176.3	-74	-60.9	0	0	0	112.4	A151 K152 V153 L157 G158 M159 M161	A151-N155 PolarHBondContact O-N 2.56Å; A151-N155 PolarHBondContact O-ND2 2.92Å; K152-N155 PolarHBondContact O-N 2.81Å; K152-N155 VanDerWaalsContact O-N 3.17Å; V153-N155 VanDerWaalsContact C-N 3.34Å; V153-N155 PolarHBondContact O-N 3.47Å; N155-L157 PolarHBondContact O-N 3.1Å; N155-G158 PolarHBondContact O-N 3.42Å; N155-M159 WeakPolarHBondContact CA-O 3.48Å; N155-M159 PolarHBondContact OD1-O 2.87Å; N155-M159 VanDerWaalsContact OD1-O 3.04Å; N155-M161 PolarHBondContact ND2-O 3.5Å; N155-M161 PolarHBondContact OD1-N 3.34Å; N155-M161 PolarHBondContact OD1-O 2.8Å
156	D	95.8	Very high	97.7	Very high	95 Å²	95	47.2 Å²	47.2	51%	0.508	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-36.1	176.2	-66.6	-19.5	0	0	0	110.8	Q119 K152 V153 G158	Q119-D156 PolarHBondContact NE2-O 3.47Å; K152-D156 VanDerWaalsContact O-CG 3.25Å; K152-D156 PolarHBondContact O-N 2.91Å; V153-D156 PolarHBondContact O-N 3.14Å; D156-G158 VanDerWaalsContact C-N 3.28Å; D156-G158 PolarHBondContact O-N 3.27Å
157	L	96.8	Very high	97.7	Very high	19 Å²	19	48 Å²	48	10%	0.099	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.1	176	-65.6	174	0	0	0	114.4	M115 Q119 F120 V153 C154 N155 T244 A247	M115-L157 HydrophobicContact CE-CD2 4.12Å; Q119-L157 WeakPolarHBondContact CB-O 3.21Å; F120-L157 HydrophobicContact CD2-CB 3.93Å; F120-L157 VanDerWaalsContact CD2-O 3.32Å; F120-L157 WeakPolarHBondContact CD2-O 3.38Å; F120-L157 HydrophobicContact CE1-CB 4.35Å; F120-L157 HydrophobicContact CE1-CD1 4.15Å; F120-L157 HydrophobicContact CE2-CB 3.57Å; F120-L157 HydrophobicContact CE2-CD1 4.18Å; F120-L157 HydrophobicContact CG-CB 4.49Å; F120-L157 HydrophobicContact CZ-CB 3.8Å; F120-L157 HydrophobicContact CZ-CD1 3.61Å; F120-L157 HydrophobicContact CZ-CG 4.32Å; F120-L157 PolarHBondContact N-O 2.94Å; V153-L157 HydrophobicContact CG1-CD1 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.41Å; V153-L157 WeakPolarHBondContact O-CB 3.38Å; V153-L157 VanDerWaalsContact O-CG 3.31Å; V153-L157 WeakPolarHBondContact O-CG 3.4Å; V153-L157 PolarHBondContact O-N 2.96Å; C154-L157 CarbonylContact O-C 3.57Å; C154-L157 PolarHBondContact O-N 3.06Å; N155-L157 PolarHBondContact O-N 3.1Å; L157-T244 HydrophobicContact CD1-CG2 4.33Å; L157-A247 HydrophobicContact CD1-CB 3.74Å
158	G	96.3	Very high	97.6	Very high	25 Å²	25	50.9 Å²	50.9	26%	0.258	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	9.1	169.4	0	0	0	0	0	116	C154 N155 D156	C154-G158 PolarHBondContact O-N 3.26Å; N155-G158 PolarHBondContact O-N 3.42Å; D156-G158 VanDerWaalsContact C-N 3.28Å; D156-G158 PolarHBondContact O-N 3.27Å
159	M	97.8	Very high	97.6	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.039	24%	0.244	C	C	.	.			trans	-73.8	160.7	166.7	-60.6	-170.2	65.7	0	0	111.3	F120 C154 N155 I250 N251 M254	F120-M159 HydrophobicContact CD2-CG 3.84Å; F120-M159 HydrophobicContact CE2-CG 3.87Å; F120-M159 HydrophobicContact CE2-SD 4.11Å; C154-M159 HydrophobicContact CB-CB 4.14Å; C154-M159 HydrophobicContact CB-CG 4.23Å; C154-M159 HydrophobicContact CB-SD 3.72Å; C154-M159 VanDerWaalsContact O-CB 3.29Å; C154-M159 WeakPolarHBondContact O-CB 3.39Å; C154-M159 PolarHBondContact O-N 3.32Å; N155-M159 WeakPolarHBondContact CA-O 3.48Å; N155-M159 PolarHBondContact OD1-O 2.87Å; N155-M159 VanDerWaalsContact OD1-O 3.04Å; M159-I250 HydrophobicContact CE-CG2 4.01Å; M159-I250 HydrophobicContact SD-CG2 4.23Å; M159-N251 HydrophobicContact CE-CB 4.17Å; M159-N251 HydrophobicContact CG-CB 4.24Å; M159-N251 VanDerWaalsContact CG-OD1 3.28Å; M159-N251 WeakPolarHBondContact CG-OD1 3.02Å; M159-N251 HydrophobicContact SD-CB 3.58Å; M159-N251 VanDerWaalsContact SD-CB 3.58Å; M159-M254 HydrophobicContact CE-CB 4.01Å; M159-M254 HydrophobicContact CE-CG 4.06Å
160	N	97.4	Very high	97.6	Very high	72 Å²	72	48.9 Å²	48.9	39%	0.385	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	86.6	168.7	176.5	28.4	0	0	0	109	G124 D125 C126 L127	G124-N160 PolarHBondContact O-N 3Å; G124-N160 VanDerWaalsContact O-N 3.14Å; D125-N160 WeakPolarHBondContact OD1-CB 3.18Å; D125-N160 PolarHBondContact OD1-ND2 3.5Å; C126-N160 CarbonylContact C-O 3.37Å; C126-N160 PolarHBondContact N-O 3.17Å; L127-N160 WeakPolarHBondContact CD2-OD1 3.44Å
161	M	98	Very high	97.5	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.8	-174.2	-170.8	169.9	-173.7	0	0	111.1	C126 F129 A151 C154 N155 L197 F199	C126-M161 HydrophobicContact CB-CG 4.13Å; C126-M161 WeakPolarHBondContact O-CA 3.5Å; F129-M161 HydrophobicContact CD1-CE 3.57Å; F129-M161 HydrophobicContact CD1-CG 4.1Å; F129-M161 HydrophobicContact CD2-CE 4.38Å; F129-M161 HydrophobicContact CE1-CE 3.57Å; F129-M161 HydrophobicContact CE1-CG 3.82Å; F129-M161 HydrophobicContact CE1-SD 4.49Å; F129-M161 HydrophobicContact CE2-CE 4.41Å; F129-M161 HydrophobicContact CG-CE 3.98Å; F129-M161 HydrophobicContact CZ-CE 4.02Å; A151-M161 HydrophobicContact CB-CE 4.24Å; A151-M161 HydrophobicContact CB-CG 4.09Å; A151-M161 HydrophobicContact CB-SD 3.91Å; C154-M161 HydrophobicContact CB-CB 4.35Å; C154-M161 HydrophobicContact CB-SD 3.74Å; N155-M161 PolarHBondContact ND2-O 3.5Å; N155-M161 PolarHBondContact OD1-N 3.34Å; N155-M161 PolarHBondContact OD1-O 2.8Å; M161-L197 HydrophobicContact CE-CD2 3.9Å; M161-F199 HydrophobicContact CE-CE2 3.56Å; M161-F199 HydrophobicContact CE-CZ 3.79Å
162	G	97.8	Very high	97.3	Very high	14 Å²	14	57.6 Å²	57.6	14%	0.144	28%	0.28	C	S	.	.			trans	-51.5	152.3	172.1	0	0	0	0	0	112.1	C126 L127 F129 A151	C126-G162 PolarHBondContact O-N 3.39Å; L127-G162 VanDerWaalsContact O-CA 3.32Å; L127-G162 WeakPolarHBondContact O-CA 3.36Å; F129-G162 WeakPolarHBondContact CE1-O 3.28Å; A151-G162 VanDerWaalsContact CB-O 3.25Å; A151-G162 WeakPolarHBondContact CB-O 3.27Å
163	R	97.8	Very high	97	Very high	215 Å²	215	54.7 Å²	54.7	81%	0.811	27%	0.271	S	S	*	.	S	Bend	trans	-80	-24.2	-175.2	-66.3	-175.3	-177.1	-176.5	1.6	113.9
164	K	97.2	Very high	96.8	Very high	147 Å²	147	56.1 Å²	56.1	64%	0.639	28%	0.278	S	S	*	.	S	Bend	trans	-148.3	160.8	-177.4	63.8	177	-176.9	175.9	0	109.5	F129	F129-K164 WeakPolarHBondContact CZ-O 3.45Å
165	A	97.9	Very high	96.5	Very high	14 Å²	14	61.6 Å²	61.6	12%	0.116	31%	0.311	C	S	.	.			trans	-65.6	138	172.8	0	0	0	0	0	110.6	F129 C147 L168	F129-A165 HydrophobicContact CD2-CB 4.13Å; F129-A165 VanDerWaalsContact CE2-CA 3.46Å; F129-A165 HydrophobicContact CE2-CB 3.85Å; F129-A165 CarbonylContact O-C 3.57Å; F129-A165 WeakPolarHBondContact O-CA 3.3Å; C147-A165 HydrophobicContact CB-CB 4.49Å; A165-L168 HydrophobicContact CB-CD2 3.72Å; A165-L168 HydrophobicContact CB-CG 4.36Å
166	D	97.7	Very high	96.4	Very high	64 Å²	64	60.3 Å²	60.3	34%	0.342	31%	0.31	S	S	.	.	S	Bend	trans	-69.2	-43.7	175.9	-80.3	-4	0	0	0	110.6	F129 Y188 K193	F129-D166 PolarHBondContact O-N 2.77Å; D166-Y188 HydrophobicContact CB-CE2 4.39Å; D166-Y188 WeakPolarHBondContact CB-OH 3.2Å; D166-K193 IonicContact OD1-NZ 3.76Å; D166-K193 IonicContact OD2-NZ 2.9Å; D166-K193 PolarHBondContact OD2-NZ 2.84Å
167	T	97.1	Very high	96.5	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.104	29%	0.286	C	S	.	.			trans	-133.5	140.3	179.8	-39.4	0	0	0	0	110.4	S130 A131 L169 E187	S130-T167 WeakPolarHBondContact CA-O 3.17Å; S130-T167 VanDerWaalsContact CB-O 3.25Å; S130-T167 WeakPolarHBondContact CB-O 3.23Å; S130-T167 PolarHBondContact OG-N 3.07Å; S130-T167 PolarHBondContact OG-O 3.2Å; A131-T167 PolarHBondContact N-O 2.72Å; T167-L169 HydrophobicContact CG2-CD2 4.09Å; T167-L169 HydrophobicContact CG2-CG 4.04Å; T167-E187 PolarHBondContact OG1-OE1 3.33Å
168	L	97.7	Very high	96.5	Very high	61 Å²	61	56.9 Å²	56.9	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.4	172.3	-65.3	179.2	0	0	0	109.3	A131 L140 V143 A165	A131-L168 HydrophobicContact CB-CD2 3.62Å; A131-L168 WeakPolarHBondContact O-CA 3.25Å; L140-L168 HydrophobicContact CD1-CB 4.44Å; L140-L168 HydrophobicContact CD2-CB 4.18Å; V143-L168 HydrophobicContact CG1-CD2 4.45Å; A165-L168 HydrophobicContact CB-CD2 3.72Å; A165-L168 HydrophobicContact CB-CG 4.36Å
169	L	97.6	Very high	96.5	Very high	19 Å²	19	63.8 Å²	63.8	10%	0.099	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.6	178.9	-60.8	176.8	0	0	0	111.4	A131 I132 A133 T167 A180 L184	A131-L169 PolarHBondContact O-N 2.82Å; I132-L169 CarbonylContact C-O 3.56Å; I132-L169 VanDerWaalsContact CA-O 3.31Å; I132-L169 WeakPolarHBondContact CA-O 3.34Å; I132-L169 HydrophobicContact CG1-CB 4.19Å; A133-L169 PolarHBondContact N-O 2.87Å; T167-L169 HydrophobicContact CG2-CD2 4.09Å; T167-L169 HydrophobicContact CG2-CG 4.04Å; L169-A180 HydrophobicContact CD1-CB 4.39Å; L169-L184 HydrophobicContact CD1-CB 4.15Å; L169-L184 HydrophobicContact CD1-CD1 4.39Å
170	T	97.2	Very high	96.5	Very high	40 Å²	40	64 Å²	64	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.5	170.1	54.6	0	0	0	0	112.3	A133 L140	A133-T170 HydrophobicContact CB-CG2 4.43Å; A133-T170 CarbonylContact O-C 3.59Å; A133-T170 VanDerWaalsContact O-CA 3.26Å; A133-T170 WeakPolarHBondContact O-CA 3.49Å; L140-T170 HydrophobicContact CD1-CG2 3.85Å; L140-T170 HydrophobicContact CD2-CG2 3.46Å; L140-T170 VanDerWaalsContact CD2-CG2 3.46Å; L140-T170 HydrophobicContact CG-CG2 3.5Å; L140-T170 VanDerWaalsContact CG-CG2 3.5Å
171	V	97.2	Very high	96.5	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.055	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146	168.3	-65.2	0	0	0	0	109.4	I132 A133 F134 G135 F177 A180	I132-V171 HydrophobicContact CG2-CG1 4.21Å; I132-V171 HydrophobicContact CG2-CG2 3.85Å; A133-V171 PolarHBondContact O-N 2.91Å; F134-V171 CarbonylContact C-O 3.54Å; F134-V171 VanDerWaalsContact CA-O 3.31Å; F134-V171 WeakPolarHBondContact CA-O 3.35Å; F134-V171 HydrophobicContact CD1-CG2 3.58Å; F134-V171 HydrophobicContact CD2-CG2 4.22Å; F134-V171 HydrophobicContact CE1-CG2 3.6Å; F134-V171 HydrophobicContact CE2-CG2 4.24Å; F134-V171 HydrophobicContact CG-CG2 3.91Å; F134-V171 HydrophobicContact CZ-CG2 3.94Å; G135-V171 PolarHBondContact N-O 3.23Å; V171-F177 HydrophobicContact CG2-CD2 4.38Å; V171-A180 HydrophobicContact CG1-CB 3.5Å; V171-A180 VanDerWaalsContact CG1-CB 3.5Å
172	Y	93.7	Very high	96.5	Very high	174 Å²	174	66.3 Å²	66.3	68%	0.682	32%	0.319	S	S	*	.	S	Bend	trans	-87.4	-27	179.2	-69	-77.5	0	0	0	112.7
173	D	92.9	Very high	96.5	Very high	75 Å²	75	73.1 Å²	73.1	40%	0.401	34%	0.34	S	S	.	.	S	Bend	trans	-153.3	176.2	-177.3	63.5	48.2	0	0	0	111.7	F134 T175 G176	F134-D173 WeakPolarHBondContact CE1-O 3.46Å; D173-T175 PolarHBondContact O-N 3.49Å; D173-T175 WeakPolarHBondContact OD1-CA 3.09Å; D173-T175 VanDerWaalsContact OD1-CB 3.32Å; D173-T175 WeakPolarHBondContact OD1-CB 3.43Å; D173-T175 PolarHBondContact OD1-N 3.33Å; D173-T175 PolarHBondContact OD1-OG1 2.98Å; D173-G176 PolarHBondContact O-N 3.47Å; D173-G176 PolarHBondContact OD1-N 3.46Å; D173-G176 VanDerWaalsContact OD1-N 3.12Å
174	I	93.5	Very high	96.4	Very high	56 Å²	56	63 Å²	63	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-26.9	-178.1	60.9	169.5	0	0	0	113.4	F134 G176 F177 E207 E210 F504	F134-I174 HydrophobicContact CE1-CG2 4.27Å; I174-G176 VanDerWaalsContact C-N 3.35Å; I174-F177 WeakPolarHBondContact O-CB 3.47Å; I174-F177 PolarHBondContact O-N 3.25Å; I174-E207 HydrophobicContact CG2-CB 4.26Å; I174-E207 HydrophobicContact CG2-CG 4.04Å; I174-E210 HydrophobicContact CB-CB 4.16Å; I174-E210 HydrophobicContact CB-CG 4.02Å; I174-E210 HydrophobicContact CG2-CB 4.2Å; I174-F504 HydrophobicContact CD1-CE1 4.12Å; I174-F504 HydrophobicContact CD1-CZ 3.98Å
175	T	91.7	Very high	96.4	Very high	114 Å²	114	58.1 Å²	58.1	70%	0.699	28%	0.283	S	S	*	.	H	α-helix	trans	-72.9	-31.8	-179.1	74.8	0	0	0	0	111.6	D173 F177	D173-T175 PolarHBondContact O-N 3.49Å; D173-T175 WeakPolarHBondContact OD1-CA 3.09Å; D173-T175 VanDerWaalsContact OD1-CB 3.32Å; D173-T175 WeakPolarHBondContact OD1-CB 3.43Å; D173-T175 PolarHBondContact OD1-N 3.33Å; D173-T175 PolarHBondContact OD1-OG1 2.98Å; T175-F177 VanDerWaalsContact C-N 3.33Å
176	G	95.4	Very high	96.4	Very high	24 Å²	24	60.5 Å²	60.5	25%	0.247	30%	0.296	C	S	.	.	H	α-helix	trans	-74.1	-20.2	175.2	0	0	0	0	0	114.2	D173 I174 K179 A180	D173-G176 PolarHBondContact O-N 3.47Å; D173-G176 PolarHBondContact OD1-N 3.46Å; D173-G176 VanDerWaalsContact OD1-N 3.12Å; I174-G176 VanDerWaalsContact C-N 3.35Å; G176-K179 PolarHBondContact O-N 3.01Å; G176-A180 PolarHBondContact O-N 2.93Å
177	F	97.1	Very high	96.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-48.8	-172	-173.3	-104.1	0	0	0	112.7	I132 F134 V171 I174 T175 K179 A180 V181 L198 V200 V211 V214	I132-F177 HydrophobicContact CB-CE2 4.21Å; I132-F177 HydrophobicContact CD1-CD2 4.44Å; I132-F177 HydrophobicContact CD1-CE2 3.96Å; I132-F177 HydrophobicContact CG2-CD2 4.01Å; I132-F177 HydrophobicContact CG2-CE2 3.95Å; F134-F177 HydrophobicContact CE1-CB 4.48Å; F134-F177 AromaticContact CE2-CD2 3.79Å; F134-F177 HydrophobicContact CE2-CD2 3.79Å; F134-F177 HydrophobicContact CE2-CE2 4.2Å; F134-F177 HydrophobicContact CZ-CB 3.97Å; F134-F177 AromaticContact CZ-CD2 3.63Å; F134-F177 HydrophobicContact CZ-CD2 3.63Å; F134-F177 HydrophobicContact CZ-CE2 4.44Å; F134-F177 AromaticContact CZ-CG 3.96Å; F134-F177 HydrophobicContact CZ-CG 3.96Å; V171-F177 HydrophobicContact CG2-CD2 4.38Å; I174-F177 WeakPolarHBondContact O-CB 3.47Å; I174-F177 PolarHBondContact O-N 3.25Å; T175-F177 VanDerWaalsContact C-N 3.33Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 2.96Å; F177-A180 PolarHBondContact O-N 3.44Å; F177-A180 VanDerWaalsContact O-N 3.15Å; F177-V181 HydrophobicContact CD1-CG2 4.11Å; F177-V181 HydrophobicContact CE1-CG2 3.63Å; F177-V181 HydrophobicContact CE2-CG2 4.19Å; F177-V181 HydrophobicContact CZ-CG2 3.66Å; F177-V181 WeakPolarHBondContact O-CG2 3.47Å; F177-V181 PolarHBondContact O-N 3.04Å; F177-L198 HydrophobicContact CZ-CD2 4.12Å; F177-V200 HydrophobicContact CE2-CG1 3.94Å; F177-V200 HydrophobicContact CE2-CG2 4.16Å; F177-V200 HydrophobicContact CZ-CG1 4.48Å; F177-V200 HydrophobicContact CZ-CG2 4.12Å; F177-V211 HydrophobicContact CD1-CG2 4.25Å; F177-V211 HydrophobicContact CD2-CG2 4.22Å; F177-V211 HydrophobicContact CE1-CB 4.08Å; F177-V211 HydrophobicContact CE1-CG1 4.05Å; F177-V211 HydrophobicContact CE1-CG2 3.99Å; F177-V211 HydrophobicContact CE2-CG1 4.48Å; F177-V211 HydrophobicContact CE2-CG2 3.96Å; F177-V211 HydrophobicContact CG-CG2 4.38Å; F177-V211 HydrophobicContact CZ-CB 4.12Å; F177-V211 HydrophobicContact CZ-CG1 3.74Å; F177-V211 HydrophobicContact CZ-CG2 3.85Å; F177-V214 HydrophobicContact CD1-CB 3.91Å; F177-V214 HydrophobicContact CD1-CG1 3.89Å; F177-V214 HydrophobicContact CD1-CG2 4.22Å; F177-V214 HydrophobicContact CE1-CB 3.98Å; F177-V214 HydrophobicContact CE1-CG1 3.92Å
178	E	96.5	Very high	96.3	Very high	41 Å²	41	59.8 Å²	59.8	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-40.6	178.5	174.3	166.1	175.3	0	0	112.3	A180 V181 R182 V214 K218 F219	E178-A180 VanDerWaalsContact C-N 3.34Å; E178-A180 PolarHBondContact O-N 2.98Å; E178-V181 PolarHBondContact O-N 3.22Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 PolarHBondContact O-N 2.88Å; E178-R182 IonicContact OE1-NH2 3.56Å; E178-R182 PolarHBondContact OE1-NH2 3.23Å; E178-R182 VanDerWaalsContact OE1-NH2 3.08Å; E178-V214 HydrophobicContact CB-CG1 4.13Å; E178-V214 HydrophobicContact CB-CG2 4.16Å; E178-V214 HydrophobicContact CG-CG1 4.47Å; E178-K218 IonicContact OE1-NZ 3.1Å; E178-K218 PolarHBondContact OE1-NZ 3.23Å; E178-K218 IonicContact OE2-NZ 2.71Å; E178-K218 PolarHBondContact OE2-NZ 2.93Å; E178-F219 HydrophobicContact CG-CE2 4Å; E178-F219 HydrophobicContact CG-CZ 4.21Å
179	K	97.1	Very high	96.2	Very high	171 Å²	171	64.8 Å²	64.8	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-64.3	-40.2	176.9	-173.6	177.8	179.2	179.5	0	111.3	G176 F177 R182 R183	G176-K179 PolarHBondContact O-N 3.01Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 2.96Å; K179-R182 PolarHBondContact O-N 3.3Å; K179-R183 WeakPolarHBondContact O-CB 3.34Å; K179-R183 PolarHBondContact O-N 3.26Å
180	A	97.6	Very high	96.2	Very high	11 Å²	11	70.8 Å²	70.8	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-44.3	177.4	0	0	0	0	0	112.1	I132 L169 V171 G176 F177 E178 R182 R183 L184	I132-A180 HydrophobicContact CD1-CB 3.9Å; L169-A180 HydrophobicContact CD1-CB 4.39Å; V171-A180 HydrophobicContact CG1-CB 3.5Å; V171-A180 VanDerWaalsContact CG1-CB 3.5Å; G176-A180 PolarHBondContact O-N 2.93Å; F177-A180 PolarHBondContact O-N 3.44Å; F177-A180 VanDerWaalsContact O-N 3.15Å; E178-A180 VanDerWaalsContact C-N 3.34Å; E178-A180 PolarHBondContact O-N 2.98Å; A180-R182 PolarHBondContact O-N 2.9Å; A180-R183 PolarHBondContact O-N 3.49Å; A180-L184 WeakPolarHBondContact O-CB 3.36Å; A180-L184 PolarHBondContact O-N 2.53Å
181	V	98	Very high	96.2	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-46.2	174.8	175.8	0	0	0	0	110.5	I132 F177 E178 R183 L184 L185 L198 V214 F219 I221	I132-V181 HydrophobicContact CD1-CG2 3.83Å; F177-V181 HydrophobicContact CD1-CG2 4.11Å; F177-V181 HydrophobicContact CE1-CG2 3.63Å; F177-V181 HydrophobicContact CE2-CG2 4.19Å; F177-V181 HydrophobicContact CZ-CG2 3.66Å; F177-V181 WeakPolarHBondContact O-CG2 3.47Å; F177-V181 PolarHBondContact O-N 3.04Å; E178-V181 PolarHBondContact O-N 3.22Å; V181-R183 PolarHBondContact O-N 3.18Å; V181-L184 PolarHBondContact O-N 2.71Å; V181-L185 HydrophobicContact CG1-CD1 3.89Å; V181-L185 HydrophobicContact CG1-CG 4.26Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 2.93Å; V181-L198 HydrophobicContact CG2-CD2 3.99Å; V181-V214 HydrophobicContact CB-CG1 4.46Å; V181-V214 HydrophobicContact CG2-CG1 4.27Å; V181-F219 HydrophobicContact CB-CD2 4.23Å; V181-F219 HydrophobicContact CB-CE2 4.06Å; V181-F219 HydrophobicContact CG1-CB 4.36Å; V181-F219 HydrophobicContact CG1-CD1 4.49Å; V181-F219 HydrophobicContact CG1-CD2 3.48Å; V181-F219 VanDerWaalsContact CG1-CD2 3.48Å; V181-F219 HydrophobicContact CG1-CE2 3.76Å; V181-F219 HydrophobicContact CG1-CG 3.88Å; V181-F219 HydrophobicContact CG1-CZ 4.4Å; V181-I221 HydrophobicContact CG1-CG2 4.44Å
182	R	97.5	Very high	96.1	Very high	126 Å²	126	80.9 Å²	80.9	48%	0.475	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-47	178.5	-167.2	178.5	-60.6	-84.8	-1.9	112.1	E178 K179 A180 L184 L185 T186 F219	E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 PolarHBondContact O-N 2.88Å; E178-R182 IonicContact OE1-NH2 3.56Å; E178-R182 PolarHBondContact OE1-NH2 3.23Å; E178-R182 VanDerWaalsContact OE1-NH2 3.08Å; K179-R182 PolarHBondContact O-N 3.3Å; A180-R182 PolarHBondContact O-N 2.9Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 2.9Å; R182-L185 PolarHBondContact O-N 3.13Å; R182-T186 PolarHBondContact O-N 3.17Å; R182-T186 PolarHBondContact O-OG1 2.8Å; R182-T186 VanDerWaalsContact O-OG1 3.08Å; R182-F219 HydrophobicContact CB-CE1 4.42Å; R182-F219 HydrophobicContact CB-CZ 4.02Å; R182-F219 HydrophobicContact CG-CZ 4.49Å
183	R	97.1	Very high	96.2	Very high	157 Å²	157	76.6 Å²	76.6	59%	0.592	37%	0.373	S	S	*	.	H	α-helix	trans	-57	-48.1	176.3	176.5	-177.1	170.7	-173.6	-1.6	111.4	K179 A180 V181 T186 E187	K179-R183 WeakPolarHBondContact O-CB 3.34Å; K179-R183 PolarHBondContact O-N 3.26Å; A180-R183 PolarHBondContact O-N 3.49Å; V181-R183 PolarHBondContact O-N 3.18Å; R183-T186 PolarHBondContact O-N 3.03Å; R183-E187 PolarHBondContact O-N 2.82Å
184	L	97.2	Very high	96.3	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-46.4	179.9	-174.6	159.9	0	0	0	111.1	I132 L169 A180 V181 R182 T186 E187 Y188 C195 L198	I132-L184 HydrophobicContact CD1-CD1 4.42Å; I132-L184 HydrophobicContact CG1-CD1 4.4Å; L169-L184 HydrophobicContact CD1-CB 4.15Å; L169-L184 HydrophobicContact CD1-CD1 4.39Å; A180-L184 WeakPolarHBondContact O-CB 3.36Å; A180-L184 PolarHBondContact O-N 2.53Å; V181-L184 PolarHBondContact O-N 2.71Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 2.9Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.84Å; L184-E187 WeakPolarHBondContact O-CB 3.28Å; L184-E187 PolarHBondContact O-N 2.83Å; L184-Y188 HydrophobicContact CD2-CD2 3.65Å; L184-Y188 HydrophobicContact CD2-CE2 3.6Å; L184-Y188 HydrophobicContact CG-CD2 4.33Å; L184-Y188 HydrophobicContact CG-CE2 4.21Å; L184-Y188 VanDerWaalsContact O-CD2 3.29Å; L184-Y188 WeakPolarHBondContact O-CD2 3.4Å; L184-Y188 PolarHBondContact O-N 2.9Å; L184-C195 HydrophobicContact CD2-CB 4.09Å; L184-L198 HydrophobicContact CD1-CD1 3.93Å
185	L	96.8	Very high	96.4	Very high	45 Å²	45	75.7 Å²	75.7	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-35.1	178.3	-67	178.2	0	0	0	112.7	V181 R182 Y188 K189 C195 F219 I221	V181-L185 HydrophobicContact CG1-CD1 3.89Å; V181-L185 HydrophobicContact CG1-CG 4.26Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 2.93Å; R182-L185 PolarHBondContact O-N 3.13Å; L185-Y188 PolarHBondContact O-N 2.62Å; L185-K189 WeakPolarHBondContact O-CB 3.25Å; L185-K189 PolarHBondContact O-N 2.7Å; L185-C195 HydrophobicContact CD2-CB 4.14Å; L185-F219 HydrophobicContact CD1-CB 3.91Å; L185-F219 HydrophobicContact CD1-CD1 3.48Å; L185-F219 VanDerWaalsContact CD1-CD1 3.48Å; L185-F219 HydrophobicContact CD1-CE1 4.14Å; L185-F219 HydrophobicContact CD1-CG 3.81Å; L185-I221 HydrophobicContact CD2-CD1 4.08Å
186	T	97.1	Very high	96.7	Very high	64 Å²	64	73.5 Å²	73.5	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-47.8	171.9	-61	0	0	0	0	111.2	R182 R183 L184 Y188 K189 E190	R182-T186 PolarHBondContact O-N 3.17Å; R182-T186 PolarHBondContact O-OG1 2.8Å; R182-T186 VanDerWaalsContact O-OG1 3.08Å; R183-T186 PolarHBondContact O-N 3.03Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.84Å; T186-Y188 VanDerWaalsContact C-N 3.3Å; T186-Y188 PolarHBondContact O-N 3.27Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.07Å; T186-K189 VanDerWaalsContact O-N 3.1Å; T186-E190 HydrophobicContact CG2-CG 4.34Å; T186-E190 WeakPolarHBondContact CG2-OE1 3.33Å; T186-E190 WeakPolarHBondContact O-CG 3.1Å; T186-E190 PolarHBondContact O-N 2.92Å
187	E	96.7	Very high	96.8	Very high	59 Å²	59	72.4 Å²	72.4	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-40.1	178.1	-175.5	-177.9	149.7	0	0	111.9	T167 R183 L184 N191	T167-E187 PolarHBondContact OG1-OE1 3.33Å; R183-E187 PolarHBondContact O-N 2.82Å; L184-E187 WeakPolarHBondContact O-CB 3.28Å; L184-E187 PolarHBondContact O-N 2.83Å; E187-N191 PolarHBondContact O-N 2.87Å; E187-N191 VanDerWaalsContact O-N 3.17Å; E187-N191 PolarHBondContact O-ND2 3.36Å
188	Y	97.2	Very high	96.9	Very high	7 Å²	7	72.4 Å²	72.4	3%	0.027	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-45.3	173.6	-92.8	-103	0	0	0	112.2	N128 F129 S130 D166 L184 L185 T186 N191 N192 K193 C195	N128-Y188 HydrophobicContact CB-CE1 3.59Å; F129-Y188 PolarHBondContact N-OH 3.15Å; F129-Y188 PolarHBondContact O-OH 3.23Å; S130-Y188 VanDerWaalsContact OG-CE2 3.29Å; S130-Y188 WeakPolarHBondContact OG-CE2 3.29Å; S130-Y188 PolarHBondContact OG-OH 2.83Å; D166-Y188 HydrophobicContact CB-CE2 4.39Å; D166-Y188 WeakPolarHBondContact CB-OH 3.2Å; L184-Y188 HydrophobicContact CD2-CD2 3.65Å; L184-Y188 HydrophobicContact CD2-CE2 3.6Å; L184-Y188 HydrophobicContact CG-CD2 4.33Å; L184-Y188 HydrophobicContact CG-CE2 4.21Å; L184-Y188 VanDerWaalsContact O-CD2 3.29Å; L184-Y188 WeakPolarHBondContact O-CD2 3.4Å; L184-Y188 PolarHBondContact O-N 2.9Å; L185-Y188 PolarHBondContact O-N 2.62Å; T186-Y188 VanDerWaalsContact C-N 3.3Å; T186-Y188 PolarHBondContact O-N 3.27Å; Y188-N191 CarbonylContact O-C 3.57Å; Y188-N191 PolarHBondContact O-N 3.31Å; Y188-N192 PolarHBondContact O-N 3.35Å; Y188-K193 CarbonylContact C-O 3.49Å; Y188-K193 HydrophobicContact CD1-CB 3.6Å; Y188-K193 HydrophobicContact CE1-CB 4.25Å; Y188-K193 HydrophobicContact CG-CB 4.42Å; Y188-K193 PolarHBondContact O-N 3.4Å; Y188-K193 VanDerWaalsContact O-O 3.08Å; Y188-C195 HydrophobicContact CD1-CB 3.67Å; Y188-C195 HydrophobicContact CD2-CB 4.02Å; Y188-C195 HydrophobicContact CE1-CB 3.52Å; Y188-C195 HydrophobicContact CE2-CB 3.91Å; Y188-C195 HydrophobicContact CG-CB 3.88Å
189	K	96.1	Very high	97	Very high	166 Å²	166	70.4 Å²	70.4	72%	0.722	34%	0.336	S	S	*	.	H	α-helix	trans	-62.7	-42.9	178.9	-172	180	179.7	-177.8	0	111.8	L185 T186 N191 N192	L185-K189 WeakPolarHBondContact O-CB 3.25Å; L185-K189 PolarHBondContact O-N 2.7Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.07Å; T186-K189 VanDerWaalsContact O-N 3.1Å; K189-N191 PolarHBondContact O-N 2.89Å; K189-N192 PolarHBondContact O-N 3.01Å; K189-N192 VanDerWaalsContact O-N 3.12Å
190	E	97.1	Very high	97.1	Very high	145 Å²	145	62.3 Å²	62.3	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-61.7	-31.8	176.5	-73	171.5	173.5	0	0	112.3	T186	T186-E190 HydrophobicContact CG2-CG 4.34Å; T186-E190 WeakPolarHBondContact CG2-OE1 3.33Å; T186-E190 WeakPolarHBondContact O-CG 3.1Å; T186-E190 PolarHBondContact O-N 2.92Å
191	N	96	Very high	97.1	Very high	102 Å²	102	61.9 Å²	61.9	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	11.5	177.1	-69.3	-59.8	0	0	0	114.1	E187 Y188 K189 K193	E187-N191 PolarHBondContact O-N 2.87Å; E187-N191 VanDerWaalsContact O-N 3.17Å; E187-N191 PolarHBondContact O-ND2 3.36Å; Y188-N191 CarbonylContact O-C 3.57Å; Y188-N191 PolarHBondContact O-N 3.31Å; K189-N191 PolarHBondContact O-N 2.89Å; N191-K193 PolarHBondContact O-N 3.4Å
192	N	96.3	Very high	97.1	Very high	159 Å²	159	62.1 Å²	62.1	85%	0.85	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.1	-175.2	-67.5	-43	0	0	0	113.9	Y188 K189	Y188-N192 PolarHBondContact O-N 3.35Å; K189-N192 PolarHBondContact O-N 3.01Å; K189-N192 VanDerWaalsContact O-N 3.12Å
193	K	95.5	Very high	97	Very high	85 Å²	85	59.2 Å²	59.2	37%	0.37	30%	0.297	S	S	.	.			trans	-115	162.4	175.7	-69.3	-177.9	172.6	-173.1	0	111	D166 Y188 N191	D166-K193 IonicContact OD1-NZ 3.76Å; D166-K193 IonicContact OD2-NZ 2.9Å; D166-K193 PolarHBondContact OD2-NZ 2.84Å; Y188-K193 CarbonylContact C-O 3.49Å; Y188-K193 HydrophobicContact CD1-CB 3.6Å; Y188-K193 HydrophobicContact CE1-CB 4.25Å; Y188-K193 HydrophobicContact CG-CB 4.42Å; Y188-K193 PolarHBondContact O-N 3.4Å; Y188-K193 VanDerWaalsContact O-O 3.08Å; N191-K193 PolarHBondContact O-N 3.4Å
194	V	94.7	Very high	96.8	Very high	101 Å²	101	54 Å²	54	61%	0.612	28%	0.281	S	S	*	.			trans	-119.4	131.4	169.6	-178.3	0	0	0	0	109	N128 L196	N128-V194 WeakPolarHBondContact CB-O 3.21Å; N128-V194 PolarHBondContact ND2-O 2.92Å; V194-L196 HydrophobicContact CG1-CD2 4.34Å
195	C	96.7	Very high	96.5	Very high	11 Å²	11	57.2 Å²	57.2	7%	0.074	31%	0.308	C	S	.	.			trans	-82.8	113.7	174.6	-170.6	0	0	0	0	109	L184 L185 Y188 L197 I221	L184-C195 HydrophobicContact CD2-CB 4.09Å; L185-C195 HydrophobicContact CD2-CB 4.14Å; Y188-C195 HydrophobicContact CD1-CB 3.67Å; Y188-C195 HydrophobicContact CD2-CB 4.02Å; Y188-C195 HydrophobicContact CE1-CB 3.52Å; Y188-C195 HydrophobicContact CE2-CB 3.91Å; Y188-C195 HydrophobicContact CG-CB 3.88Å; C195-L197 PolarHBondContact SG-O 2.93Å; C195-I221 HydrophobicContact CB-CD1 3.92Å; C195-I221 VanDerWaalsContact SG-CD1 3.56Å
196	L	96.8	Very high	96.3	Very high	68 Å²	68	63.2 Å²	63.2	36%	0.356	33%	0.327	S	S	.	.			trans	-89.5	-33.7	-175.4	-63.8	171.8	0	0	0	112.1	N128 V194 M222 M254	N128-L196 PolarHBondContact O-N 2.85Å; V194-L196 HydrophobicContact CG1-CD2 4.34Å; L196-M222 WeakPolarHBondContact O-CB 3.48Å; L196-M254 HydrophobicContact CB-SD 4.2Å; L196-M254 WeakPolarHBondContact O-CE 3.31Å
197	L	98.4	Very high	96.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139	-179.1	-179.7	69	0	0	0	111.1	C126 F129 S130 M161 C195 F199 M222 Q224 I250 M254	C126-L197 VanDerWaalsContact SG-CB 3.55Å; F129-L197 VanDerWaalsContact CA-O 3.23Å; F129-L197 WeakPolarHBondContact CA-O 3.22Å; F129-L197 HydrophobicContact CB-CB 3.95Å; F129-L197 WeakPolarHBondContact CB-O 3.35Å; S130-L197 PolarHBondContact N-O 2.77Å; S130-L197 VanDerWaalsContact N-O 3.16Å; M161-L197 HydrophobicContact CE-CD2 3.9Å; C195-L197 PolarHBondContact SG-O 2.93Å; L197-F199 HydrophobicContact CD2-CD2 4.3Å; L197-F199 HydrophobicContact CD2-CE1 4.39Å; L197-F199 HydrophobicContact CD2-CE2 3.73Å; L197-F199 HydrophobicContact CD2-CZ 3.78Å; L197-M222 HydrophobicContact CD1-CB 4.3Å; L197-M222 HydrophobicContact CD1-CG 4.03Å; L197-Q224 HydrophobicContact CD1-CB 4.1Å; L197-I250 HydrophobicContact CD2-CG1 4.41Å; L197-I250 HydrophobicContact CD2-CG2 3.93Å; L197-M254 HydrophobicContact CB-CE 4.27Å; L197-M254 HydrophobicContact CB-SD 4.3Å; L197-M254 HydrophobicContact CD1-CE 4.29Å
198	L	98.6	Very high	96.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.4	171	178.7	65	0	0	0	110.4	I132 F177 V181 L184 V200 I221 M222 T223 Q224	I132-L198 HydrophobicContact CB-CD1 4.48Å; I132-L198 HydrophobicContact CD1-CD1 4.1Å; I132-L198 HydrophobicContact CD1-CD2 4Å; I132-L198 HydrophobicContact CG1-CD1 3.97Å; F177-L198 HydrophobicContact CZ-CD2 4.12Å; V181-L198 HydrophobicContact CG2-CD2 3.99Å; L184-L198 HydrophobicContact CD1-CD1 3.93Å; L198-V200 HydrophobicContact CD2-CG2 4.05Å; L198-V200 HydrophobicContact CG-CG2 3.85Å; L198-I221 HydrophobicContact CB-CD1 3.86Å; L198-I221 HydrophobicContact CB-CG1 4.24Å; L198-M222 PolarHBondContact N-O 3.45Å; L198-T223 HydrophobicContact CB-CG2 3.99Å; L198-T223 HydrophobicContact CD2-CG2 4.11Å; L198-T223 HydrophobicContact CG-CG2 4.32Å; L198-T223 CarbonylContact O-C 3.53Å; L198-T223 VanDerWaalsContact O-CA 3.24Å; L198-T223 WeakPolarHBondContact O-CA 2.92Å; L198-Q224 PolarHBondContact O-N 3.22Å
199	F	98.7	Very high	96.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.3	167.2	-77.7	-74.4	0	0	0	109.9	F129 S130 A131 I132 F146 C147 V150 M161 L197 Q224 F226 I250	F129-F199 AromaticContact CD2-CD2 3.72Å; F129-F199 HydrophobicContact CD2-CD2 3.72Å; F129-F199 AromaticContact CD2-CE2 3.73Å; F129-F199 HydrophobicContact CD2-CE2 3.73Å; F129-F199 HydrophobicContact CE2-CD2 4.14Å; F129-F199 AromaticContact CE2-CE2 3.95Å; F129-F199 HydrophobicContact CE2-CE2 3.95Å; F129-F199 HydrophobicContact CG-CE2 4.29Å; S130-F199 PolarHBondContact O-N 3.19Å; A131-F199 CarbonylContact C-O 3.5Å; A131-F199 WeakPolarHBondContact CA-O 3.48Å; A131-F199 HydrophobicContact CB-CB 3.8Å; I132-F199 PolarHBondContact N-O 2.68Å; F146-F199 AromaticContact CE1-CD1 3.83Å; F146-F199 HydrophobicContact CE1-CD1 3.83Å; F146-F199 AromaticContact CE1-CE1 3.99Å; F146-F199 HydrophobicContact CE1-CE1 3.99Å; C147-F199 HydrophobicContact CB-CD2 4.45Å; V150-F199 HydrophobicContact CB-CZ 4.43Å; V150-F199 HydrophobicContact CG1-CE1 4.15Å; V150-F199 HydrophobicContact CG1-CZ 3.9Å; M161-F199 HydrophobicContact CE-CE2 3.56Å; M161-F199 HydrophobicContact CE-CZ 3.79Å; L197-F199 HydrophobicContact CD2-CD2 4.3Å; L197-F199 HydrophobicContact CD2-CE1 4.39Å; L197-F199 HydrophobicContact CD2-CE2 3.73Å; L197-F199 HydrophobicContact CD2-CZ 3.78Å; F199-Q224 WeakPolarHBondContact CA-O 3.35Å; F199-Q224 HydrophobicContact CD1-CB 3.87Å; F199-Q224 HydrophobicContact CD1-CG 4.06Å; F199-Q224 HydrophobicContact CE1-CB 3.95Å; F199-Q224 HydrophobicContact CE1-CG 3.89Å; F199-F226 HydrophobicContact CB-CE1 4.16Å; F199-F226 HydrophobicContact CD1-CD1 4.48Å; F199-F226 HydrophobicContact CD1-CE1 4.32Å; F199-I250 HydrophobicContact CE1-CD1 3.87Å; F199-I250 HydrophobicContact CZ-CD1 3.81Å
200	V	98.5	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	108.7	179.6	-170.3	0	0	0	0	110.7	I132 F134 F177 L198 L202 V211 T223 Q224 C225 F226	I132-V200 CarbonylContact O-C 3.59Å; I132-V200 VanDerWaalsContact O-CA 3.29Å; I132-V200 WeakPolarHBondContact O-CA 3.33Å; F134-V200 HydrophobicContact CD2-CG1 4.09Å; F134-V200 HydrophobicContact CE2-CG1 3.8Å; F177-V200 HydrophobicContact CE2-CG1 3.94Å; F177-V200 HydrophobicContact CE2-CG2 4.16Å; F177-V200 HydrophobicContact CZ-CG1 4.48Å; F177-V200 HydrophobicContact CZ-CG2 4.12Å; L198-V200 HydrophobicContact CD2-CG2 4.05Å; L198-V200 HydrophobicContact CG-CG2 3.85Å; V200-L202 HydrophobicContact CG1-CD2 3.9Å; V200-L202 PolarHBondContact O-N 3.37Å; V200-V211 HydrophobicContact CB-CG1 4.23Å; V200-V211 HydrophobicContact CG1-CG1 4.14Å; V200-V211 HydrophobicContact CG1-CG2 3.89Å; V200-V211 HydrophobicContact CG2-CG1 3.89Å; V200-T223 HydrophobicContact CG2-CG2 4.14Å; V200-Q224 PolarHBondContact N-O 3.17Å; V200-C225 CarbonylContact O-C 3.58Å; V200-C225 VanDerWaalsContact O-CA 3.25Å; V200-C225 WeakPolarHBondContact O-CA 3.38Å; V200-F226 PolarHBondContact O-N 3.1Å
201	A	98.2	Very high	96.2	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.6	175.3	0	0	0	0	0	109.1	I132 A133 F134 V143 F226	I132-A201 PolarHBondContact O-N 3.05Å; A133-A201 HydrophobicContact CB-CB 3.92Å; F134-A201 PolarHBondContact N-O 3.06Å; V143-A201 HydrophobicContact CG2-CB 3.82Å; A201-F226 HydrophobicContact CB-CD2 4.33Å; A201-F226 HydrophobicContact CB-CE1 4.13Å; A201-F226 HydrophobicContact CB-CE2 3.5Å; A201-F226 HydrophobicContact CB-CZ 3.4Å; A201-F226 VanDerWaalsContact CB-CZ 3.4Å
202	L	97.7	Very high	96.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.3	-179.9	-57.4	177	0	0	0	110.8	F134 V200 E207 Y208 V211 C225 F226 M227	F134-L202 HydrophobicContact CD2-CD2 3.99Å; F134-L202 HydrophobicContact CE2-CD2 4Å; V200-L202 HydrophobicContact CG1-CD2 3.9Å; V200-L202 PolarHBondContact O-N 3.37Å; L202-E207 WeakPolarHBondContact CA-OE2 3.28Å; L202-E207 HydrophobicContact CD2-CB 3.91Å; L202-Y208 HydrophobicContact CD1-CD2 3.96Å; L202-Y208 HydrophobicContact CD1-CG 4.46Å; L202-V211 HydrophobicContact CD2-CG2 4.05Å; L202-C225 HydrophobicContact CD1-CB 3.86Å; L202-C225 HydrophobicContact CG-CB 4.2Å; L202-F226 PolarHBondContact N-O 2.82Å; L202-M227 HydrophobicContact CB-SD 3.67Å; L202-M227 HydrophobicContact CD1-SD 4.08Å
203	S	95.4	Very high	96.2	Very high	65 Å²	65	37.4 Å²	37.4	46%	0.455	19%	0.193	S	C	.	.	S	Bend	trans	-90	-33	170.1	91	0	0	0	0	110.9	E207	S203-E207 PolarHBondContact N-OE2 2.92Å; S203-E207 PolarHBondContact OG-OE1 2.93Å
204	D	93.5	Very high	96.3	Very high	48 Å²	48	33.4 Å²	33.4	26%	0.257	18%	0.175	S	C	.	.	S	Bend	trans	-140.7	145.9	-178.1	-169.3	-71.9	0	0	0	111.4	R206 E207	D204-R206 VanDerWaalsContact CG-NE 3.32Å; D204-R206 PolarHBondContact O-N 2.72Å; D204-R206 WeakPolarHBondContact OD1-CB 3.41Å; D204-R206 VanDerWaalsContact OD1-CG 3.23Å; D204-R206 WeakPolarHBondContact OD1-CG 3.15Å; D204-R206 IonicContact OD1-CZ 3.72Å; D204-R206 PolarHBondContact OD1-N 2.75Å; D204-R206 IonicContact OD1-NE 3.94Å; D204-R206 PolarHBondContact OD1-NE 2.73Å; D204-R206 IonicContact OD1-NH2 3.61Å; D204-R206 IonicContact OD2-CZ 2.9Å; D204-R206 IonicContact OD2-NE 2.73Å; D204-R206 PolarHBondContact OD2-NE 2.91Å; D204-R206 IonicContact OD2-NH2 3.85Å; D204-R206 PolarHBondContact OD2-NH2 3.25Å; D204-E207 HydrophobicContact CB-CG 4.41Å; D204-E207 PolarHBondContact N-OE2 2.89Å; D204-E207 WeakPolarHBondContact O-CB 3.39Å; D204-E207 PolarHBondContact O-N 3.06Å
205	A	91.4	Very high	96.4	Very high	68 Å²	68	28.6 Å²	28.6	56%	0.562	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-63.8	-22.9	179.9	0	0	0	0	0	113.6	E207 Y208	A205-E207 PolarHBondContact O-N 3.29Å; A205-Y208 WeakPolarHBondContact O-CB 3.36Å; A205-Y208 PolarHBondContact O-N 2.9Å
206	R	91.2	Very high	96.5	Very high	171 Å²	171	28 Å²	28	65%	0.645	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-70	-15.7	177.4	-65.9	170.9	-71.8	171.6	1	113.3	D204 P209	D204-R206 VanDerWaalsContact CG-NE 3.32Å; D204-R206 PolarHBondContact O-N 2.72Å; D204-R206 WeakPolarHBondContact OD1-CB 3.41Å; D204-R206 VanDerWaalsContact OD1-CG 3.23Å; D204-R206 WeakPolarHBondContact OD1-CG 3.15Å; D204-R206 IonicContact OD1-CZ 3.72Å; D204-R206 PolarHBondContact OD1-N 2.75Å; D204-R206 IonicContact OD1-NE 3.94Å; D204-R206 PolarHBondContact OD1-NE 2.73Å; D204-R206 IonicContact OD1-NH2 3.61Å; D204-R206 IonicContact OD2-CZ 2.9Å; D204-R206 IonicContact OD2-NE 2.73Å; D204-R206 PolarHBondContact OD2-NE 2.91Å; D204-R206 IonicContact OD2-NH2 3.85Å; D204-R206 PolarHBondContact OD2-NH2 3.25Å; R206-P209 WeakPolarHBondContact O-CD 3.32Å
207	E	95.7	Very high	96.4	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.065	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-76.3	-27	175.9	-64	162.8	169	0	0	111.7	F134 I174 L202 S203 D204 A205 E210 V211	F134-E207 WeakPolarHBondContact CB-OE1 3.46Å; F134-E207 WeakPolarHBondContact CB-OE2 3.31Å; F134-E207 VanDerWaalsContact CD1-CD 3.47Å; F134-E207 HydrophobicContact CD1-CG 3.94Å; F134-E207 WeakPolarHBondContact CD1-OE1 3.48Å; F134-E207 HydrophobicContact CD2-CB 4.45Å; F134-E207 HydrophobicContact CE1-CB 4.29Å; F134-E207 HydrophobicContact CE1-CG 4.03Å; F134-E207 HydrophobicContact CE2-CB 4.23Å; F134-E207 HydrophobicContact CG-CG 4.23Å; F134-E207 WeakPolarHBondContact CG-OE2 3.13Å; F134-E207 HydrophobicContact CZ-CB 4.14Å; F134-E207 HydrophobicContact CZ-CG 4.39Å; I174-E207 HydrophobicContact CG2-CB 4.26Å; I174-E207 HydrophobicContact CG2-CG 4.04Å; L202-E207 WeakPolarHBondContact CA-OE2 3.28Å; L202-E207 HydrophobicContact CD2-CB 3.91Å; S203-E207 PolarHBondContact N-OE2 2.92Å; S203-E207 PolarHBondContact OG-OE1 2.93Å; D204-E207 HydrophobicContact CB-CG 4.41Å; D204-E207 PolarHBondContact N-OE2 2.89Å; D204-E207 WeakPolarHBondContact O-CB 3.39Å; D204-E207 PolarHBondContact O-N 3.06Å; A205-E207 PolarHBondContact O-N 3.29Å; E207-E210 PolarHBondContact O-N 3.08Å; E207-V211 WeakPolarHBondContact O-CG2 3.35Å; E207-V211 PolarHBondContact O-N 3.32Å; E207-V211 VanDerWaalsContact O-N 3.12Å
208	Y	97	Very high	96.3	Very high	65 Å²	65	30.3 Å²	30.3	26%	0.255	15%	0.152	S	C	.	.	H	α-helix	trans	-57.6	-45.4	-173.3	-179.1	-89.5	0	0	0	114.2	L202 A205 E210 V211 K212 C225 D500	L202-Y208 HydrophobicContact CD1-CD2 3.96Å; L202-Y208 HydrophobicContact CD1-CG 4.46Å; A205-Y208 WeakPolarHBondContact O-CB 3.36Å; A205-Y208 PolarHBondContact O-N 2.9Å; Y208-E210 VanDerWaalsContact C-N 3.34Å; Y208-E210 PolarHBondContact O-N 2.84Å; Y208-V211 PolarHBondContact O-N 3.41Å; Y208-K212 HydrophobicContact CD1-CG 4.1Å; Y208-K212 HydrophobicContact CE1-CG 3.67Å; Y208-K212 HydrophobicContact CE2-CD 4.4Å; Y208-K212 VanDerWaalsContact CE2-CE 3.41Å; Y208-K212 HydrophobicContact CE2-CG 4.21Å; Y208-K212 WeakPolarHBondContact O-CG 3.29Å; Y208-K212 PolarHBondContact O-N 3.46Å; Y208-K212 WeakPolarHBondContact OH-CE 3.25Å; Y208-C225 HydrophobicContact CD2-CB 3.91Å; Y208-C225 HydrophobicContact CE2-CB 3.99Å; Y208-D500 HydrophobicContact CE1-CB 4.5Å; Y208-D500 WeakPolarHBondContact CE1-OD2 3.3Å
209	P	95.8	Very high	96.2	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-41.9	177.8	-25.8	36.4	0	0	0	113.3	R206 K212 R213 D500 Y503	R206-P209 WeakPolarHBondContact O-CD 3.32Å; P209-K212 PolarHBondContact O-N 2.88Å; P209-R213 WeakPolarHBondContact O-CB 3.43Å; P209-R213 PolarHBondContact O-N 3.21Å; P209-D500 HydrophobicContact CB-CB 4.38Å; P209-D500 WeakPolarHBondContact CB-O 3.35Å; P209-Y503 HydrophobicContact CB-CD1 3.89Å; P209-Y503 HydrophobicContact CB-CD2 4.42Å; P209-Y503 HydrophobicContact CB-CG 3.72Å; P209-Y503 HydrophobicContact CG-CD1 4.14Å; P209-Y503 HydrophobicContact CG-CD2 4.21Å; P209-Y503 HydrophobicContact CG-CG 3.95Å
210	E	95.6	Very high	96.1	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-42.4	178	-178.8	63.8	177.1	0	0	111.7	I174 E207 Y208 K212 R213 V214 F504	I174-E210 HydrophobicContact CB-CB 4.16Å; I174-E210 HydrophobicContact CB-CG 4.02Å; I174-E210 HydrophobicContact CG2-CB 4.2Å; E207-E210 PolarHBondContact O-N 3.08Å; Y208-E210 VanDerWaalsContact C-N 3.34Å; Y208-E210 PolarHBondContact O-N 2.84Å; E210-K212 VanDerWaalsContact C-N 3.28Å; E210-K212 PolarHBondContact O-N 3.3Å; E210-R213 VanDerWaalsContact CD-NH2 3.33Å; E210-R213 PolarHBondContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 2.66Å; E210-R213 IonicContact OE1-NE 3.08Å; E210-R213 IonicContact OE1-NH2 2.72Å; E210-R213 PolarHBondContact OE1-NH2 2.94Å; E210-R213 IonicContact OE2-CZ 2.98Å; E210-R213 IonicContact OE2-NE 2.75Å; E210-R213 PolarHBondContact OE2-NE 2.89Å; E210-R213 IonicContact OE2-NH2 3.89Å; E210-R213 PolarHBondContact OE2-NH2 3.25Å; E210-R213 VanDerWaalsContact OE2-NH2 3.17Å; E210-V214 HydrophobicContact CG-CG2 4.12Å; E210-V214 WeakPolarHBondContact O-CB 3.4Å; E210-V214 WeakPolarHBondContact O-CG2 3.04Å; E210-V214 PolarHBondContact O-N 3.01Å; E210-V214 VanDerWaalsContact OE1-CG2 3.27Å; E210-V214 WeakPolarHBondContact OE1-CG2 3.28Å; E210-F504 HydrophobicContact CB-CE2 3.75Å; E210-F504 HydrophobicContact CB-CZ 3.94Å; E210-F504 HydrophobicContact CG-CE2 4.41Å; E210-F504 WeakPolarHBondContact OE2-CE2 3.24Å
211	V	97.9	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-46.8	176.3	170.9	0	0	0	0	110.7	F134 F177 V200 L202 E207 Y208 A215 T223	F134-V211 HydrophobicContact CE2-CG2 3.63Å; F134-V211 HydrophobicContact CZ-CG2 3.93Å; F177-V211 HydrophobicContact CD1-CG2 4.25Å; F177-V211 HydrophobicContact CD2-CG2 4.22Å; F177-V211 HydrophobicContact CE1-CB 4.08Å; F177-V211 HydrophobicContact CE1-CG1 4.05Å; F177-V211 HydrophobicContact CE1-CG2 3.99Å; F177-V211 HydrophobicContact CE2-CG1 4.48Å; F177-V211 HydrophobicContact CE2-CG2 3.96Å; F177-V211 HydrophobicContact CG-CG2 4.38Å; F177-V211 HydrophobicContact CZ-CB 4.12Å; F177-V211 HydrophobicContact CZ-CG1 3.74Å; F177-V211 HydrophobicContact CZ-CG2 3.85Å; V200-V211 HydrophobicContact CB-CG1 4.23Å; V200-V211 HydrophobicContact CG1-CG1 4.14Å; V200-V211 HydrophobicContact CG1-CG2 3.89Å; V200-V211 HydrophobicContact CG2-CG1 3.89Å; L202-V211 HydrophobicContact CD2-CG2 4.05Å; E207-V211 WeakPolarHBondContact O-CG2 3.35Å; E207-V211 PolarHBondContact O-N 3.32Å; E207-V211 VanDerWaalsContact O-N 3.12Å; Y208-V211 PolarHBondContact O-N 3.41Å; V211-A215 WeakPolarHBondContact O-CB 3.23Å; V211-A215 PolarHBondContact O-N 2.98Å; V211-T223 HydrophobicContact CG1-CG2 4.27Å
212	K	97.6	Very high	96.1	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-69.4	-41	179.9	-65.3	-51.1	-173.2	176.9	0	112.9	Y208 P209 E210 D216 T223	Y208-K212 HydrophobicContact CD1-CG 4.1Å; Y208-K212 HydrophobicContact CE1-CG 3.67Å; Y208-K212 HydrophobicContact CE2-CD 4.4Å; Y208-K212 VanDerWaalsContact CE2-CE 3.41Å; Y208-K212 HydrophobicContact CE2-CG 4.21Å; Y208-K212 WeakPolarHBondContact O-CG 3.29Å; Y208-K212 PolarHBondContact O-N 3.46Å; Y208-K212 WeakPolarHBondContact OH-CE 3.25Å; P209-K212 PolarHBondContact O-N 2.88Å; E210-K212 VanDerWaalsContact C-N 3.28Å; E210-K212 PolarHBondContact O-N 3.3Å; K212-D216 WeakPolarHBondContact O-CA 3.23Å; K212-D216 WeakPolarHBondContact O-CB 3.23Å; K212-D216 VanDerWaalsContact O-CG 3.29Å; K212-D216 PolarHBondContact O-N 2.78Å; K212-T223 PolarHBondContact NZ-O 2.86Å; K212-T223 PolarHBondContact NZ-OG1 2.92Å
213	R	96	Very high	96.1	Very high	55 Å²	55	32.7 Å²	32.7	21%	0.208	17%	0.165	C	C	.	.	I	π-helix	trans	-61.1	-48.2	175.5	-170.5	-167.4	71.1	85.5	3.3	111.2	P209 E210 V217 K218	P209-R213 WeakPolarHBondContact O-CB 3.43Å; P209-R213 PolarHBondContact O-N 3.21Å; E210-R213 VanDerWaalsContact CD-NH2 3.33Å; E210-R213 PolarHBondContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 2.66Å; E210-R213 IonicContact OE1-NE 3.08Å; E210-R213 IonicContact OE1-NH2 2.72Å; E210-R213 PolarHBondContact OE1-NH2 2.94Å; E210-R213 IonicContact OE2-CZ 2.98Å; E210-R213 IonicContact OE2-NE 2.75Å; E210-R213 PolarHBondContact OE2-NE 2.89Å; E210-R213 IonicContact OE2-NH2 3.89Å; E210-R213 PolarHBondContact OE2-NH2 3.25Å; E210-R213 VanDerWaalsContact OE2-NH2 3.17Å; R213-V217 VanDerWaalsContact O-CB 3.23Å; R213-V217 WeakPolarHBondContact O-CB 3.31Å; R213-V217 PolarHBondContact O-N 3.48Å; R213-K218 VanDerWaalsContact NH1-CE 3.34Å; R213-K218 PolarHBondContact O-N 2.81Å
214	V	96.8	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-66.3	-49	179.8	171.2	0	0	0	0	110.8	F177 E178 V181 E210 K218 F219	F177-V214 HydrophobicContact CD1-CB 3.91Å; F177-V214 HydrophobicContact CD1-CG1 3.89Å; F177-V214 HydrophobicContact CD1-CG2 4.22Å; F177-V214 HydrophobicContact CE1-CB 3.98Å; F177-V214 HydrophobicContact CE1-CG1 3.92Å; E178-V214 HydrophobicContact CB-CG1 4.13Å; E178-V214 HydrophobicContact CB-CG2 4.16Å; E178-V214 HydrophobicContact CG-CG1 4.47Å; V181-V214 HydrophobicContact CB-CG1 4.46Å; V181-V214 HydrophobicContact CG2-CG1 4.27Å; E210-V214 HydrophobicContact CG-CG2 4.12Å; E210-V214 WeakPolarHBondContact O-CB 3.4Å; E210-V214 WeakPolarHBondContact O-CG2 3.04Å; E210-V214 PolarHBondContact O-N 3.01Å; E210-V214 VanDerWaalsContact OE1-CG2 3.27Å; E210-V214 WeakPolarHBondContact OE1-CG2 3.28Å; V214-K218 WeakPolarHBondContact O-CB 3.23Å; V214-K218 PolarHBondContact O-N 3.14Å; V214-F219 HydrophobicContact CG1-CD2 3.61Å; V214-F219 HydrophobicContact CG1-CE2 3.6Å; V214-F219 WeakPolarHBondContact O-CD2 3.42Å; V214-F219 PolarHBondContact O-N 3.07Å
215	A	97.7	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-71.9	-50.2	-174.8	0	0	0	0	0	113	V211 G220 I221 T223	V211-A215 WeakPolarHBondContact O-CB 3.23Å; V211-A215 PolarHBondContact O-N 2.98Å; A215-G220 WeakPolarHBondContact O-CA 3.4Å; A215-G220 PolarHBondContact O-N 2.89Å; A215-I221 HydrophobicContact CB-CG2 3.81Å; A215-I221 PolarHBondContact O-N 3.19Å; A215-T223 HydrophobicContact CB-CG2 3.42Å; A215-T223 VanDerWaalsContact CB-CG2 3.42Å
216	D	97.8	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-80.3	-38.9	-171.1	-56.4	-11.7	0	0	0	112.1	K212 R497 H501 V532 H533 I536 Y541	K212-D216 WeakPolarHBondContact O-CA 3.23Å; K212-D216 WeakPolarHBondContact O-CB 3.23Å; K212-D216 VanDerWaalsContact O-CG 3.29Å; K212-D216 PolarHBondContact O-N 2.78Å; D216-R497 IonicContact OD1-NH1 3.28Å; D216-R497 WeakPolarHBondContact OD2-CD 3.06Å; D216-R497 IonicContact OD2-CZ 3.19Å; D216-R497 IonicContact OD2-NE 3.73Å; D216-R497 IonicContact OD2-NH1 3.41Å; D216-R497 PolarHBondContact OD2-NH1 3.04Å; D216-H501 WeakPolarHBondContact CB-NE2 3.2Å; D216-H501 IonicContact OD2-CD2 3Å; D216-H501 IonicContact OD2-CE1 2.93Å; D216-H501 IonicContact OD2-NE2 3.97Å; D216-H501 PolarHBondContact OD2-NE2 2.67Å; D216-V532 HydrophobicContact CB-CG1 4.41Å; D216-H533 VanDerWaalsContact O-CB 3.29Å; D216-H533 WeakPolarHBondContact O-CB 3.46Å; D216-H533 PolarHBondContact O-N 3.1Å; D216-I536 HydrophobicContact CB-CD1 3.71Å; D216-I536 WeakPolarHBondContact O-CD1 3.34Å; D216-Y541 HydrophobicContact CB-CD2 4.44Å
217	V	96.1	Very high	97	Very high	28 Å²	28	21.3 Å²	21.3	17%	0.17	10%	0.101	C	C	.	.	I	π-helix	trans	-94.5	-44.7	-172.2	179.4	0	0	0	0	111.5	R213 H501 A529 T531	R213-V217 VanDerWaalsContact O-CB 3.23Å; R213-V217 WeakPolarHBondContact O-CB 3.31Å; R213-V217 PolarHBondContact O-N 3.48Å; V217-H501 HydrophobicContact CG2-CB 4.19Å; V217-A529 VanDerWaalsContact CG2-O 3.28Å; V217-A529 WeakPolarHBondContact CG2-O 3.49Å; V217-T531 WeakPolarHBondContact CG1-O 3.49Å
218	K	95.5	Very high	97	Very high	87 Å²	87	24.9 Å²	24.9	38%	0.378	12%	0.118	S	C	.	.	I	π-helix	trans	-85.9	-43.1	-175.2	-67.7	-170.5	165.9	-170.5	0	114.2	E178 R213 V214	E178-K218 IonicContact OE1-NZ 3.1Å; E178-K218 PolarHBondContact OE1-NZ 3.23Å; E178-K218 IonicContact OE2-NZ 2.71Å; E178-K218 PolarHBondContact OE2-NZ 2.93Å; R213-K218 VanDerWaalsContact NH1-CE 3.34Å; R213-K218 PolarHBondContact O-N 2.81Å; V214-K218 WeakPolarHBondContact O-CB 3.23Å; V214-K218 PolarHBondContact O-N 3.14Å
219	F	96.8	Very high	96.9	Very high	33 Å²	33	31 Å²	31	15%	0.145	14%	0.141	C	C	.	.	I	π-helix	trans	-111.5	-17.1	-170.1	-68.8	-69.5	0	0	0	114.6	E178 V181 R182 L185 V214 I221	E178-F219 HydrophobicContact CG-CE2 4Å; E178-F219 HydrophobicContact CG-CZ 4.21Å; V181-F219 HydrophobicContact CB-CD2 4.23Å; V181-F219 HydrophobicContact CB-CE2 4.06Å; V181-F219 HydrophobicContact CG1-CB 4.36Å; V181-F219 HydrophobicContact CG1-CD1 4.49Å; V181-F219 HydrophobicContact CG1-CD2 3.48Å; V181-F219 VanDerWaalsContact CG1-CD2 3.48Å; V181-F219 HydrophobicContact CG1-CE2 3.76Å; V181-F219 HydrophobicContact CG1-CG 3.88Å; V181-F219 HydrophobicContact CG1-CZ 4.4Å; R182-F219 HydrophobicContact CB-CE1 4.42Å; R182-F219 HydrophobicContact CB-CZ 4.02Å; R182-F219 HydrophobicContact CG-CZ 4.49Å; L185-F219 HydrophobicContact CD1-CB 3.91Å; L185-F219 HydrophobicContact CD1-CD1 3.48Å; L185-F219 VanDerWaalsContact CD1-CD1 3.48Å; L185-F219 HydrophobicContact CD1-CE1 4.14Å; L185-F219 HydrophobicContact CD1-CG 3.81Å; V214-F219 HydrophobicContact CG1-CD2 3.61Å; V214-F219 HydrophobicContact CG1-CE2 3.6Å; V214-F219 WeakPolarHBondContact O-CD2 3.42Å; V214-F219 PolarHBondContact O-N 3.07Å; F219-I221 VanDerWaalsContact C-N 3.34Å; F219-I221 HydrophobicContact CB-CG2 4.13Å; F219-I221 PolarHBondContact O-N 3.19Å
220	G	97	Very high	97	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	15%	0.148	C	C	.	.			trans	59.9	42.7	-176.2	0	0	0	0	0	113.2	A215 H533 I536	A215-G220 WeakPolarHBondContact O-CA 3.4Å; A215-G220 PolarHBondContact O-N 2.89Å; G220-H533 VanDerWaalsContact CA-CB 3.42Å; G220-I536 WeakPolarHBondContact O-CG2 3.24Å
221	I	96.9	Very high	97	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.036	15%	0.146	C	C	.	.			trans	-110.2	131.6	176.2	-175.7	167.5	0	0	0	110.5	V181 L185 C195 L198 A215 F219	V181-I221 HydrophobicContact CG1-CG2 4.44Å; L185-I221 HydrophobicContact CD2-CD1 4.08Å; C195-I221 HydrophobicContact CB-CD1 3.92Å; C195-I221 VanDerWaalsContact SG-CD1 3.56Å; L198-I221 HydrophobicContact CB-CD1 3.86Å; L198-I221 HydrophobicContact CB-CG1 4.24Å; A215-I221 HydrophobicContact CB-CG2 3.81Å; A215-I221 PolarHBondContact O-N 3.19Å; F219-I221 VanDerWaalsContact C-N 3.34Å; F219-I221 HydrophobicContact CB-CG2 4.13Å; F219-I221 PolarHBondContact O-N 3.19Å
222	M	97.9	Very high	97	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.044	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.2	178	-167	64.1	68.1	0	0	111	L196 L197 L198 K253 M254 I536 S539	L196-M222 WeakPolarHBondContact O-CB 3.48Å; L197-M222 HydrophobicContact CD1-CB 4.3Å; L197-M222 HydrophobicContact CD1-CG 4.03Å; L198-M222 PolarHBondContact N-O 3.45Å; M222-K253 HydrophobicContact CE-CB 4.08Å; M222-K253 HydrophobicContact CE-CG 4.3Å; M222-K253 VanDerWaalsContact CE-O 3.3Å; M222-K253 WeakPolarHBondContact CE-O 3.43Å; M222-K253 HydrophobicContact CG-CB 3.72Å; M222-K253 HydrophobicContact CG-CD 3.88Å; M222-K253 HydrophobicContact CG-CG 4.05Å; M222-K253 HydrophobicContact SD-CB 3.75Å; M222-K253 HydrophobicContact SD-CD 3.7Å; M222-K253 HydrophobicContact SD-CG 3.56Å; M222-K253 VanDerWaalsContact SD-CG 3.56Å; M222-M254 HydrophobicContact CB-CE 3.58Å; M222-M254 HydrophobicContact CG-CE 3.47Å; M222-M254 VanDerWaalsContact CG-CE 3.47Å; M222-I536 HydrophobicContact CE-CG2 4.5Å; M222-S539 VanDerWaalsContact CE-OG 3.28Å; M222-S539 WeakPolarHBondContact CE-OG 3.15Å
223	T	98.4	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	-179.9	47.6	0	0	0	0	113.7	L198 V200 V211 K212 A215 K253	L198-T223 HydrophobicContact CB-CG2 3.99Å; L198-T223 HydrophobicContact CD2-CG2 4.11Å; L198-T223 HydrophobicContact CG-CG2 4.32Å; L198-T223 CarbonylContact O-C 3.53Å; L198-T223 VanDerWaalsContact O-CA 3.24Å; L198-T223 WeakPolarHBondContact O-CA 2.92Å; V200-T223 HydrophobicContact CG2-CG2 4.14Å; V211-T223 HydrophobicContact CG1-CG2 4.27Å; K212-T223 PolarHBondContact NZ-O 2.86Å; K212-T223 PolarHBondContact NZ-OG1 2.92Å; A215-T223 HydrophobicContact CB-CG2 3.42Å; A215-T223 VanDerWaalsContact CB-CG2 3.42Å; T223-K253 PolarHBondContact O-NZ 3.46Å
224	Q	98.2	Very high	97.1	Very high	19 Å²	19	34.1 Å²	34.1	9%	0.089	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	97.2	167.5	-175.6	54.2	47.5	0	0	110.2	L197 L198 F199 V200 L246 T249 I250	L197-Q224 HydrophobicContact CD1-CB 4.1Å; L198-Q224 PolarHBondContact O-N 3.22Å; F199-Q224 WeakPolarHBondContact CA-O 3.35Å; F199-Q224 HydrophobicContact CD1-CB 3.87Å; F199-Q224 HydrophobicContact CD1-CG 4.06Å; F199-Q224 HydrophobicContact CE1-CB 3.95Å; F199-Q224 HydrophobicContact CE1-CG 3.89Å; V200-Q224 PolarHBondContact N-O 3.17Å; Q224-L246 HydrophobicContact CG-CD2 4.37Å; Q224-T249 PolarHBondContact OE1-OG1 3.02Å; Q224-I250 HydrophobicContact CB-CG1 4.42Å; Q224-I250 HydrophobicContact CG-CD1 4.28Å; Q224-I250 HydrophobicContact CG-CG1 4.09Å
225	C	98.4	Very high	97.1	Very high	16 Å²	16	34.9 Å²	34.9	11%	0.108	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	147.4	178.1	-48.6	0	0	0	0	111	V200 L202 Y208	V200-C225 CarbonylContact O-C 3.58Å; V200-C225 VanDerWaalsContact O-CA 3.25Å; V200-C225 WeakPolarHBondContact O-CA 3.38Å; L202-C225 HydrophobicContact CD1-CB 3.86Å; L202-C225 HydrophobicContact CG-CB 4.2Å; Y208-C225 HydrophobicContact CD2-CB 3.91Å; Y208-C225 HydrophobicContact CE2-CB 3.99Å
226	F	98.1	Very high	97	Very high	6 Å²	6	39 Å²	39	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.5	173.8	61	-87.1	0	0	0	111.4	V143 F146 F199 V200 A201 L202 T230 L231	V143-F226 HydrophobicContact CG1-CZ 4.27Å; V143-F226 HydrophobicContact CG2-CZ 4.43Å; F146-F226 HydrophobicContact CD1-CD1 4.22Å; F146-F226 AromaticContact CD1-CE1 3.68Å; F146-F226 HydrophobicContact CD1-CE1 3.68Å; F146-F226 HydrophobicContact CD1-CE2 4.12Å; F146-F226 AromaticContact CD1-CZ 3.61Å; F146-F226 HydrophobicContact CD1-CZ 3.61Å; F146-F226 HydrophobicContact CD2-CD2 4.41Å; F146-F226 HydrophobicContact CD2-CE2 4.27Å; F146-F226 AromaticContact CE1-CD1 3.47Å; F146-F226 HydrophobicContact CE1-CD1 3.47Å; F146-F226 VanDerWaalsContact CE1-CD1 3.47Å; F146-F226 HydrophobicContact CE1-CD2 4.29Å; F146-F226 AromaticContact CE1-CE1 3.37Å; F146-F226 HydrophobicContact CE1-CE1 3.37Å; F146-F226 HydrophobicContact CE1-CE2 4.21Å; F146-F226 AromaticContact CE1-CG 3.94Å; F146-F226 HydrophobicContact CE1-CG 3.94Å; F146-F226 AromaticContact CE1-CZ 3.75Å; F146-F226 HydrophobicContact CE1-CZ 3.75Å; F146-F226 HydrophobicContact CE2-CD1 4.49Å; F146-F226 HydrophobicContact CE2-CD2 4.05Å; F146-F226 HydrophobicContact CE2-CE2 4.33Å; F146-F226 HydrophobicContact CE2-CG 4.12Å; F146-F226 HydrophobicContact CG-CE2 4.17Å; F146-F226 HydrophobicContact CG-CZ 4.06Å; F146-F226 HydrophobicContact CZ-CB 4.11Å; F146-F226 AromaticContact CZ-CD1 3.63Å; F146-F226 HydrophobicContact CZ-CD1 3.63Å; F146-F226 AromaticContact CZ-CD2 3.99Å; F146-F226 HydrophobicContact CZ-CD2 3.99Å; F146-F226 AromaticContact CZ-CE1 3.97Å; F146-F226 HydrophobicContact CZ-CE1 3.97Å; F146-F226 HydrophobicContact CZ-CE2 4.31Å; F146-F226 AromaticContact CZ-CG 3.63Å; F146-F226 HydrophobicContact CZ-CG 3.63Å; F146-F226 HydrophobicContact CZ-CZ 4.28Å; F199-F226 HydrophobicContact CB-CE1 4.16Å; F199-F226 HydrophobicContact CD1-CD1 4.48Å; F199-F226 HydrophobicContact CD1-CE1 4.32Å; V200-F226 PolarHBondContact O-N 3.1Å; A201-F226 HydrophobicContact CB-CD2 4.33Å; A201-F226 HydrophobicContact CB-CE1 4.13Å; A201-F226 HydrophobicContact CB-CE2 3.5Å; A201-F226 HydrophobicContact CB-CZ 3.4Å; A201-F226 VanDerWaalsContact CB-CZ 3.4Å; L202-F226 PolarHBondContact N-O 2.82Å; F226-T230 HydrophobicContact CB-CG2 4.02Å; F226-L231 HydrophobicContact CD2-CB 4.18Å; F226-L231 HydrophobicContact CE2-CB 4.1Å; F226-L231 HydrophobicContact CE2-CD1 4.06Å
227	M	96.6	Very high	97	Very high	71 Å²	71	45.1 Å²	45.1	35%	0.35	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	164.9	178.3	-63.9	-65.1	-67.9	0	0	111	L202 R229 T230 L231	L202-M227 HydrophobicContact CB-SD 3.67Å; L202-M227 HydrophobicContact CD1-SD 4.08Å; M227-R229 PolarHBondContact O-N 3.4Å; M227-R229 VanDerWaalsContact O-N 3.11Å; M227-T230 WeakPolarHBondContact O-CA 3.5Å; M227-T230 WeakPolarHBondContact O-CB 3.49Å; M227-T230 PolarHBondContact O-N 3.14Å; M227-L231 PolarHBondContact O-N 3.35Å
228	Q	94.4	Very high	97	Very high	90 Å²	90	52.4 Å²	52.4	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-50.7	-35.9	173.2	-68.4	-62.4	-25.7	0	0	113.8	L231 H232	Q228-L231 WeakPolarHBondContact O-CB 3.38Å; Q228-L231 PolarHBondContact O-N 3.01Å; Q228-H232 WeakPolarHBondContact O-CB 3.34Å; Q228-H232 PolarHBondContact O-N 3.39Å
229	R	95.4	Very high	97	Very high	194 Å²	194	49.9 Å²	49.9	73%	0.732	23%	0.233	S	C	*	.	H	α-helix	trans	-61.3	-45.4	174.1	178.9	178	173.1	173.4	1.4	112.2	M227 L231 H232 D233	M227-R229 PolarHBondContact O-N 3.4Å; M227-R229 VanDerWaalsContact O-N 3.11Å; R229-L231 VanDerWaalsContact C-N 3.34Å; R229-H232 WeakPolarHBondContact O-CB 3.15Å; R229-H232 PolarHBondContact O-N 3.21Å; R229-D233 IonicContact NE-OD2 2.67Å; R229-D233 VanDerWaalsContact O-CG 3.3Å; R229-D233 PolarHBondContact O-N 2.83Å
230	T	97.4	Very high	96.9	Very high	35 Å²	35	51.5 Å²	51.5	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-39.1	178.3	-52.6	0	0	0	0	110.8	F146 F226 M227 H232 D233 V234 T242 L246	F146-T230 HydrophobicContact CE2-CG2 4.29Å; F226-T230 HydrophobicContact CB-CG2 4.02Å; M227-T230 WeakPolarHBondContact O-CA 3.5Å; M227-T230 WeakPolarHBondContact O-CB 3.49Å; M227-T230 PolarHBondContact O-N 3.14Å; T230-H232 VanDerWaalsContact C-N 3.33Å; T230-H232 PolarHBondContact O-N 2.98Å; T230-D233 PolarHBondContact O-N 3.49Å; T230-V234 WeakPolarHBondContact O-CG2 3.32Å; T230-V234 PolarHBondContact O-N 2.88Å; T230-T242 HydrophobicContact CG2-CG2 3.87Å; T230-L246 HydrophobicContact CG2-CD1 4.06Å
231	L	97.1	Very high	96.7	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-48.4	172.7	179.8	62.7	0	0	0	110.9	K142 F146 F226 M227 Q228 R229 V234 V235	K142-L231 HydrophobicContact CB-CD1 4.33Å; K142-L231 HydrophobicContact CB-CD2 4.17Å; F146-L231 HydrophobicContact CB-CD1 3.55Å; F146-L231 HydrophobicContact CD2-CD1 3.88Å; F146-L231 HydrophobicContact CG-CD1 3.97Å; F226-L231 HydrophobicContact CD2-CB 4.18Å; F226-L231 HydrophobicContact CE2-CB 4.1Å; F226-L231 HydrophobicContact CE2-CD1 4.06Å; M227-L231 PolarHBondContact O-N 3.35Å; Q228-L231 WeakPolarHBondContact O-CB 3.38Å; Q228-L231 PolarHBondContact O-N 3.01Å; R229-L231 VanDerWaalsContact C-N 3.34Å; L231-V234 PolarHBondContact O-N 3.31Å; L231-V235 HydrophobicContact CD1-CG2 3.81Å; L231-V235 WeakPolarHBondContact O-CB 3.27Å; L231-V235 PolarHBondContact O-N 2.84Å
232	H	96.8	Very high	96.7	Very high	85 Å²	85	56.7 Å²	56.7	39%	0.394	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-44.6	175.8	-178.1	-70.7	0	0	0	112.3	Q228 R229 T230 V234 V236 K237	Q228-H232 WeakPolarHBondContact O-CB 3.34Å; Q228-H232 PolarHBondContact O-N 3.39Å; R229-H232 WeakPolarHBondContact O-CB 3.15Å; R229-H232 PolarHBondContact O-N 3.21Å; T230-H232 VanDerWaalsContact C-N 3.33Å; T230-H232 PolarHBondContact O-N 2.98Å; H232-V234 VanDerWaalsContact C-N 3.26Å; H232-V234 PolarHBondContact O-N 3.41Å; H232-V236 WeakPolarHBondContact O-CA 3.41Å; H232-V236 VanDerWaalsContact O-CB 3.3Å; H232-V236 WeakPolarHBondContact O-CB 3.46Å; H232-V236 PolarHBondContact O-N 3.45Å; H232-K237 VanDerWaalsContact CE1-CE 3.49Å; H232-K237 WeakPolarHBondContact CE1-CE 3.44Å; H232-K237 PolarHBondContact O-N 2.82Å
233	D	97.9	Very high	96.7	Very high	20 Å²	20	56.9 Å²	56.9	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-32	-179.6	-72	-21.2	0	0	0	112.2	R229 T230 K237 R238 S239 T242	R229-D233 IonicContact NE-OD2 2.67Å; R229-D233 VanDerWaalsContact O-CG 3.3Å; R229-D233 PolarHBondContact O-N 2.83Å; T230-D233 PolarHBondContact O-N 3.49Å; D233-K237 CarbonylContact O-C 3.52Å; D233-K237 WeakPolarHBondContact OD1-CD 3.44Å; D233-K237 WeakPolarHBondContact OD1-CE 3.02Å; D233-K237 IonicContact OD1-NZ 3.36Å; D233-K237 PolarHBondContact OD1-NZ 3.38Å; D233-R238 PolarHBondContact O-N 3Å; D233-R238 VanDerWaalsContact O-N 3.12Å; D233-S239 WeakPolarHBondContact O-CB 3.33Å; D233-S239 PolarHBondContact O-N 3.17Å; D233-T242 HydrophobicContact CB-CG2 4.35Å
234	V	97.7	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-82.1	-54.4	177.6	166.2	0	0	0	0	112.3	F146 T149 V150 T230 L231 H232 R238 T242 L243 L246	F146-V234 HydrophobicContact CD2-CB 3.7Å; F146-V234 HydrophobicContact CD2-CG1 3.62Å; F146-V234 HydrophobicContact CD2-CG2 4.05Å; F146-V234 HydrophobicContact CE2-CB 3.87Å; F146-V234 HydrophobicContact CE2-CG1 4.07Å; F146-V234 HydrophobicContact CE2-CG2 3.67Å; F146-V234 HydrophobicContact CG-CG1 4.4Å; T149-V234 HydrophobicContact CG2-CG1 4.08Å; V150-V234 HydrophobicContact CG2-CG1 4.39Å; T230-V234 WeakPolarHBondContact O-CG2 3.32Å; T230-V234 PolarHBondContact O-N 2.88Å; L231-V234 PolarHBondContact O-N 3.31Å; H232-V234 VanDerWaalsContact C-N 3.26Å; H232-V234 PolarHBondContact O-N 3.41Å; V234-R238 VanDerWaalsContact O-CA 3.29Å; V234-R238 WeakPolarHBondContact O-CA 3.49Å; V234-R238 PolarHBondContact O-N 2.94Å; V234-T242 HydrophobicContact CG2-CG2 3.94Å; V234-L243 HydrophobicContact CB-CD2 4.47Å; V234-L243 HydrophobicContact CG1-CD2 3.8Å; V234-L243 HydrophobicContact CG1-CG 4.46Å; V234-L243 HydrophobicContact CG2-CD2 4.01Å; V234-L243 HydrophobicContact CG2-CG 4.18Å; V234-L246 HydrophobicContact CG2-CD1 3.93Å
235	V	97.1	Very high	96.4	Very high	15 Å²	15	60.1 Å²	60.1	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-79.6	-43.9	-170.3	172.9	0	0	0	0	111.4	E145 F146 L231	E145-V235 HydrophobicContact CB-CG2 4.48Å; E145-V235 HydrophobicContact CG-CG1 4.24Å; E145-V235 HydrophobicContact CG-CG2 4.42Å; E145-V235 VanDerWaalsContact OE2-CG1 3.3Å; E145-V235 WeakPolarHBondContact OE2-CG1 3.36Å; F146-V235 HydrophobicContact CB-CG2 3.91Å; L231-V235 HydrophobicContact CD1-CG2 3.81Å; L231-V235 WeakPolarHBondContact O-CB 3.27Å; L231-V235 PolarHBondContact O-N 2.84Å
236	V	96.2	Very high	96.4	Very high	87 Å²	87	60.1 Å²	60.1	53%	0.527	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-53.7	-174.3	-174.4	0	0	0	0	110.9	H232	H232-V236 WeakPolarHBondContact O-CA 3.41Å; H232-V236 VanDerWaalsContact O-CB 3.3Å; H232-V236 WeakPolarHBondContact O-CB 3.46Å; H232-V236 PolarHBondContact O-N 3.45Å
237	K	97	Very high	96.4	Very high	129 Å²	129	59.8 Å²	59.8	56%	0.561	30%	0.301	S	S	*	.	S	Bend	trans	-83.5	-15.4	-176.7	-60.3	-174.1	-171.3	151.6	0	114.2	H232 D233 S239	H232-K237 VanDerWaalsContact CE1-CE 3.49Å; H232-K237 WeakPolarHBondContact CE1-CE 3.44Å; H232-K237 PolarHBondContact O-N 2.82Å; D233-K237 CarbonylContact O-C 3.52Å; D233-K237 WeakPolarHBondContact OD1-CD 3.44Å; D233-K237 WeakPolarHBondContact OD1-CE 3.02Å; D233-K237 IonicContact OD1-NZ 3.36Å; D233-K237 PolarHBondContact OD1-NZ 3.38Å; K237-S239 PolarHBondContact O-N 3.25Å
238	R	95.8	Very high	96.4	Very high	180 Å²	180	56.6 Å²	56.6	68%	0.679	29%	0.285	S	S	*	.			trans	49.5	44.5	-175	-60.1	-174.7	171.5	-147.2	-4.4	112.7	D233 V234 A240	D233-R238 PolarHBondContact O-N 3Å; D233-R238 VanDerWaalsContact O-N 3.12Å; V234-R238 VanDerWaalsContact O-CA 3.29Å; V234-R238 WeakPolarHBondContact O-CA 3.49Å; V234-R238 PolarHBondContact O-N 2.94Å; R238-A240 PolarHBondContact O-N 2.87Å
239	S	97	Very high	96.6	Very high	34 Å²	34	52.9 Å²	52.9	24%	0.238	27%	0.269	C	S	.	.			trans	-65.9	108.2	-176.5	-179.8	0	0	0	0	111.1	D233 K237 T241 T242 L243	D233-S239 WeakPolarHBondContact O-CB 3.33Å; D233-S239 PolarHBondContact O-N 3.17Å; K237-S239 PolarHBondContact O-N 3.25Å; S239-T241 VanDerWaalsContact C-N 3.31Å; S239-T241 PolarHBondContact O-N 2.98Å; S239-T242 PolarHBondContact O-N 3.48Å; S239-T242 PolarHBondContact OG-N 2.91Å; S239-T242 PolarHBondContact OG-OG1 3.37Å; S239-L243 PolarHBondContact O-N 2.78Å
240	A	94.3	Very high	96.7	Very high	67 Å²	67	43.7 Å²	43.7	55%	0.554	23%	0.234	S	C	*	.	H	α-helix	trans	-54.9	-45.4	176.9	0	0	0	0	0	111.8	R238 T242 L243 T244	R238-A240 PolarHBondContact O-N 2.87Å; A240-T242 PolarHBondContact O-N 3.4Å; A240-L243 PolarHBondContact O-N 3.43Å; A240-T244 PolarHBondContact O-N 3.13Å; A240-T244 PolarHBondContact O-OG1 2.91Å
241	T	93.1	Very high	96.7	Very high	94 Å²	94	42 Å²	42	58%	0.577	22%	0.224	S	C	*	.	H	α-helix	trans	-59.6	-44.5	179	-51.7	0	0	0	0	112.7	S239 N245	S239-T241 VanDerWaalsContact C-N 3.31Å; S239-T241 PolarHBondContact O-N 2.98Å; T241-N245 WeakPolarHBondContact O-CB 3.1Å; T241-N245 VanDerWaalsContact O-CG 3.26Å; T241-N245 PolarHBondContact O-N 2.7Å; T241-N245 PolarHBondContact O-ND2 3.49Å
242	T	96.2	Very high	96.8	Very high	32 Å²	32	42.1 Å²	42.1	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-43.5	178.5	-61.4	0	0	0	0	110.9	T230 D233 V234 S239 A240 N245 L246	T230-T242 HydrophobicContact CG2-CG2 3.87Å; D233-T242 HydrophobicContact CB-CG2 4.35Å; V234-T242 HydrophobicContact CG2-CG2 3.94Å; S239-T242 PolarHBondContact O-N 3.48Å; S239-T242 PolarHBondContact OG-N 2.91Å; S239-T242 PolarHBondContact OG-OG1 3.37Å; A240-T242 PolarHBondContact O-N 3.4Å; T242-N245 PolarHBondContact O-N 3.26Å; T242-L246 HydrophobicContact CG2-CD1 4.21Å; T242-L246 WeakPolarHBondContact O-CG 3.44Å; T242-L246 PolarHBondContact O-N 3.43Å
243	L	97.1	Very high	96.8	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-48.8	177.1	-79.3	164	0	0	0	112.4	T149 V150 V153 V234 S239 A240 N245 L246 A247	T149-L243 HydrophobicContact CG2-CD1 4.11Å; T149-L243 HydrophobicContact CG2-CD2 3.89Å; V150-L243 HydrophobicContact CG2-CD2 3.95Å; V153-L243 HydrophobicContact CG1-CB 4.32Å; V153-L243 HydrophobicContact CG2-CB 4.12Å; V153-L243 HydrophobicContact CG2-CD1 4.2Å; V153-L243 HydrophobicContact CG2-CD2 4.16Å; V153-L243 HydrophobicContact CG2-CG 4.4Å; V234-L243 HydrophobicContact CB-CD2 4.47Å; V234-L243 HydrophobicContact CG1-CD2 3.8Å; V234-L243 HydrophobicContact CG1-CG 4.46Å; V234-L243 HydrophobicContact CG2-CD2 4.01Å; V234-L243 HydrophobicContact CG2-CG 4.18Å; S239-L243 PolarHBondContact O-N 2.78Å; A240-L243 PolarHBondContact O-N 3.43Å; L243-N245 PolarHBondContact O-N 3.21Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-A247 PolarHBondContact O-N 3.08Å
244	T	95.9	Very high	96.7	Very high	29 Å²	29	39 Å²	39	18%	0.178	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-42.4	178.2	-55.2	0	0	0	0	111.5	L157 A240 L246 A247 L248 M479	L157-T244 HydrophobicContact CD1-CG2 4.33Å; A240-T244 PolarHBondContact O-N 3.13Å; A240-T244 PolarHBondContact O-OG1 2.91Å; T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 2.88Å; T244-A247 PolarHBondContact O-N 3.36Å; T244-L248 HydrophobicContact CG2-CD1 4.47Å; T244-L248 WeakPolarHBondContact O-CG 3.29Å; T244-L248 PolarHBondContact O-N 3.07Å; T244-M479 HydrophobicContact CG2-CE 3.73Å; T244-M479 HydrophobicContact CG2-SD 4.33Å
245	N	95.8	Very high	96.6	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-36	177.6	-72.4	-19.5	0	0	0	112.7	T241 T242 L243 T249	T241-N245 WeakPolarHBondContact O-CB 3.1Å; T241-N245 VanDerWaalsContact O-CG 3.26Å; T241-N245 PolarHBondContact O-N 2.7Å; T241-N245 PolarHBondContact O-ND2 3.49Å; T242-N245 PolarHBondContact O-N 3.26Å; L243-N245 PolarHBondContact O-N 3.21Å; N245-T249 PolarHBondContact O-N 3.03Å; N245-T249 PolarHBondContact O-OG1 2.93Å
246	L	97.5	Very high	96.5	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-48.1	171.6	-74.7	168.5	0	0	0	110.7	F146 V150 Q224 T230 V234 T242 L243 T244 L248 T249 I250	F146-L246 HydrophobicContact CE2-CD1 4.06Å; F146-L246 HydrophobicContact CZ-CD1 3.83Å; V150-L246 HydrophobicContact CG2-CD1 4.03Å; Q224-L246 HydrophobicContact CG-CD2 4.37Å; T230-L246 HydrophobicContact CG2-CD1 4.06Å; V234-L246 HydrophobicContact CG2-CD1 3.93Å; T242-L246 HydrophobicContact CG2-CD1 4.21Å; T242-L246 WeakPolarHBondContact O-CG 3.44Å; T242-L246 PolarHBondContact O-N 3.43Å; L243-L246 PolarHBondContact O-N 3.48Å; T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 2.88Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.48Å; L246-T249 PolarHBondContact O-N 3.35Å; L246-T249 VanDerWaalsContact O-N 3.12Å; L246-T249 PolarHBondContact O-OG1 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.4Å; L246-I250 PolarHBondContact O-N 3.16Å
247	A	97.8	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-42.3	178.4	0	0	0	0	0	112.3	F120 V153 L157 L243 T244 T249 I250 N251	F120-A247 HydrophobicContact CE2-CB 4.44Å; F120-A247 HydrophobicContact CZ-CB 4.01Å; V153-A247 HydrophobicContact CG1-CB 4.2Å; L157-A247 HydrophobicContact CD1-CB 3.74Å; L243-A247 PolarHBondContact O-N 3.08Å; T244-A247 PolarHBondContact O-N 3.36Å; A247-T249 VanDerWaalsContact C-N 3.31Å; A247-T249 PolarHBondContact O-N 3.09Å; A247-I250 PolarHBondContact O-N 3.04Å; A247-N251 WeakPolarHBondContact O-CB 3.31Å; A247-N251 PolarHBondContact O-N 3.09Å
248	L	97.6	Very high	96.5	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-54	-46.7	173.8	-76.5	170.7	0	0	0	111.8	M115 F120 T244 L246 M252 N258 G476 M479	M115-L248 HydrophobicContact SD-CD2 4.21Å; F120-L248 HydrophobicContact CD1-CD2 4.36Å; F120-L248 HydrophobicContact CE1-CD2 3.57Å; F120-L248 HydrophobicContact CE1-CG 4.24Å; F120-L248 HydrophobicContact CZ-CD2 4.38Å; T244-L248 HydrophobicContact CG2-CD1 4.47Å; T244-L248 WeakPolarHBondContact O-CG 3.29Å; T244-L248 PolarHBondContact O-N 3.07Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.48Å; L248-M252 WeakPolarHBondContact O-CG 3.41Å; L248-M252 PolarHBondContact O-N 3.39Å; L248-N258 WeakPolarHBondContact CA-ND2 3.4Å; L248-N258 HydrophobicContact CD2-CB 3.94Å; L248-N258 VanDerWaalsContact CD2-ND2 3.3Å; L248-N258 WeakPolarHBondContact CD2-ND2 3.46Å; L248-N258 PolarHBondContact O-ND2 3.11Å; L248-G476 WeakPolarHBondContact CB-O 2.94Å; L248-M479 HydrophobicContact CD1-CG 4.21Å
249	T	97.2	Very high	96.5	Very high	13 Å²	13	22.2 Å²	22.2	8%	0.08	15%	0.146	C	C	.	.	H	α-helix	trans	-70.8	-38.2	179.4	56.7	0	0	0	0	113.2	Q224 N245 L246 A247 K253 R477 I543	Q224-T249 PolarHBondContact OE1-OG1 3.02Å; N245-T249 PolarHBondContact O-N 3.03Å; N245-T249 PolarHBondContact O-OG1 2.93Å; L246-T249 PolarHBondContact O-N 3.35Å; L246-T249 VanDerWaalsContact O-N 3.12Å; L246-T249 PolarHBondContact O-OG1 3.4Å; A247-T249 VanDerWaalsContact C-N 3.31Å; A247-T249 PolarHBondContact O-N 3.09Å; T249-K253 WeakPolarHBondContact O-CB 2.89Å; T249-K253 VanDerWaalsContact O-CG 3.31Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 3.28Å; T249-K253 VanDerWaalsContact O-N 3.15Å; T249-R477 HydrophobicContact CG2-CB 4.33Å; T249-R477 HydrophobicContact CG2-CG 4.2Å; T249-I543 HydrophobicContact CG2-CG2 4Å
250	I	98.4	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-43.3	179.7	-68.6	163	0	0	0	110.1	V150 M159 L197 F199 Q224 L246 A247 M252 K253 M254	V150-I250 HydrophobicContact CG1-CD1 3.45Å; V150-I250 VanDerWaalsContact CG1-CD1 3.45Å; M159-I250 HydrophobicContact CE-CG2 4.01Å; M159-I250 HydrophobicContact SD-CG2 4.23Å; L197-I250 HydrophobicContact CD2-CG1 4.41Å; L197-I250 HydrophobicContact CD2-CG2 3.93Å; F199-I250 HydrophobicContact CE1-CD1 3.87Å; F199-I250 HydrophobicContact CZ-CD1 3.81Å; Q224-I250 HydrophobicContact CB-CG1 4.42Å; Q224-I250 HydrophobicContact CG-CD1 4.28Å; Q224-I250 HydrophobicContact CG-CG1 4.09Å; L246-I250 WeakPolarHBondContact O-CG1 3.4Å; L246-I250 PolarHBondContact O-N 3.16Å; A247-I250 PolarHBondContact O-N 3.04Å; I250-M252 PolarHBondContact O-N 2.93Å; I250-K253 WeakPolarHBondContact O-CB 3.31Å; I250-K253 PolarHBondContact O-N 3.12Å; I250-M254 HydrophobicContact CG2-CG 4.24Å; I250-M254 VanDerWaalsContact O-CG 3.27Å; I250-M254 WeakPolarHBondContact O-CG 3.21Å; I250-M254 PolarHBondContact O-N 2.9Å
251	N	98.2	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-49.3	179.3	-167.6	51.2	0	0	0	112	F120 Q122 G123 G124 M159 A247 K253 M254 G255 G256 N258	F120-N251 HydrophobicContact CD2-CB 3.81Å; F120-N251 VanDerWaalsContact CD2-CG 3.4Å; F120-N251 WeakPolarHBondContact CD2-ND2 3.3Å; F120-N251 HydrophobicContact CE2-CB 3.62Å; F120-N251 HydrophobicContact CG-CB 4.44Å; F120-N251 WeakPolarHBondContact CG-ND2 3.41Å; F120-N251 HydrophobicContact CZ-CB 4.13Å; Q122-N251 PolarHBondContact O-ND2 2.92Å; G123-N251 WeakPolarHBondContact CA-OD1 3.21Å; G124-N251 PolarHBondContact N-OD1 3.43Å; M159-N251 HydrophobicContact CE-CB 4.17Å; M159-N251 HydrophobicContact CG-CB 4.24Å; M159-N251 VanDerWaalsContact CG-OD1 3.28Å; M159-N251 WeakPolarHBondContact CG-OD1 3.02Å; M159-N251 HydrophobicContact SD-CB 3.58Å; M159-N251 VanDerWaalsContact SD-CB 3.58Å; A247-N251 WeakPolarHBondContact O-CB 3.31Å; A247-N251 PolarHBondContact O-N 3.09Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 2.93Å; N251-M254 CarbonylContact O-C 3.2Å; N251-M254 PolarHBondContact O-N 3.49Å; N251-G255 PolarHBondContact O-N 2.97Å; N251-G256 WeakPolarHBondContact O-CA 3.48Å; N251-G256 PolarHBondContact O-N 2.88Å; N251-N258 VanDerWaalsContact CB-OD1 3.28Å; N251-N258 WeakPolarHBondContact CB-OD1 3.44Å; N251-N258 PolarHBondContact ND2-OD1 3.3Å
252	M	97.4	Very high	96.4	Very high	9 Å²	9	17 Å²	17	4%	0.044	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-39.1	177.1	-66.1	175.9	75.8	0	0	112.7	L248 I250 M254 G255 G256 N258 G476 R477 F490 M540 I543	L248-M252 WeakPolarHBondContact O-CG 3.41Å; L248-M252 PolarHBondContact O-N 3.39Å; I250-M252 PolarHBondContact O-N 2.93Å; M252-M254 VanDerWaalsContact C-N 3.27Å; M252-M254 PolarHBondContact O-N 3.35Å; M252-G255 PolarHBondContact O-N 2.88Å; M252-G256 WeakPolarHBondContact CA-O 3.42Å; M252-N258 WeakPolarHBondContact CG-ND2 3.32Å; M252-G476 VanDerWaalsContact SD-CA 3.57Å; M252-R477 HydrophobicContact SD-CG 4.48Å; M252-F490 HydrophobicContact CE-CE1 4.34Å; M252-F490 HydrophobicContact CE-CZ 4.08Å; M252-M540 HydrophobicContact CB-SD 4.38Å; M252-M540 HydrophobicContact CE-CE 3.28Å; M252-M540 HydrophobicContact CE-SD 3.62Å; M252-I543 HydrophobicContact CE-CD1 3.89Å; M252-I543 HydrophobicContact CE-CG1 4.23Å; M252-I543 HydrophobicContact SD-CG2 4.46Å
253	K	97	Very high	96.1	Very high	10 Å²	10	17.1 Å²	17.1	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-34	176.2	-81.5	177.8	176	170.3	0	112.6	M222 T223 T249 I250 N251 G255 I543	M222-K253 HydrophobicContact CE-CB 4.08Å; M222-K253 HydrophobicContact CE-CG 4.3Å; M222-K253 VanDerWaalsContact CE-O 3.3Å; M222-K253 WeakPolarHBondContact CE-O 3.43Å; M222-K253 HydrophobicContact CG-CB 3.72Å; M222-K253 HydrophobicContact CG-CD 3.88Å; M222-K253 HydrophobicContact CG-CG 4.05Å; M222-K253 HydrophobicContact SD-CB 3.75Å; M222-K253 HydrophobicContact SD-CD 3.7Å; M222-K253 HydrophobicContact SD-CG 3.56Å; M222-K253 VanDerWaalsContact SD-CG 3.56Å; T223-K253 PolarHBondContact O-NZ 3.46Å; T249-K253 WeakPolarHBondContact O-CB 2.89Å; T249-K253 VanDerWaalsContact O-CG 3.31Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 3.28Å; T249-K253 VanDerWaalsContact O-N 3.15Å; I250-K253 WeakPolarHBondContact O-CB 3.31Å; I250-K253 PolarHBondContact O-N 3.12Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 2.93Å; K253-G255 VanDerWaalsContact C-N 3.25Å; K253-G255 PolarHBondContact O-N 2.86Å; K253-I543 WeakPolarHBondContact CE-O 3.24Å; K253-I543 PolarHBondContact NZ-O 2.91Å
254	M	96.7	Very high	95.9	Very high	31 Å²	31	18.6 Å²	18.6	15%	0.153	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.9	179.4	-61.5	-66.4	98.4	0	0	112.9	C126 M159 L196 L197 M222 I250 N251 M252 G256	C126-M254 HydrophobicContact CB-CG 3.94Å; C126-M254 HydrophobicContact CB-SD 3.76Å; M159-M254 HydrophobicContact CE-CB 4.01Å; M159-M254 HydrophobicContact CE-CG 4.06Å; L196-M254 HydrophobicContact CB-SD 4.2Å; L196-M254 WeakPolarHBondContact O-CE 3.31Å; L197-M254 HydrophobicContact CB-CE 4.27Å; L197-M254 HydrophobicContact CB-SD 4.3Å; L197-M254 HydrophobicContact CD1-CE 4.29Å; M222-M254 HydrophobicContact CB-CE 3.58Å; M222-M254 HydrophobicContact CG-CE 3.47Å; M222-M254 VanDerWaalsContact CG-CE 3.47Å; I250-M254 HydrophobicContact CG2-CG 4.24Å; I250-M254 VanDerWaalsContact O-CG 3.27Å; I250-M254 WeakPolarHBondContact O-CG 3.21Å; I250-M254 PolarHBondContact O-N 2.9Å; N251-M254 CarbonylContact O-C 3.2Å; N251-M254 PolarHBondContact O-N 3.49Å; M252-M254 VanDerWaalsContact C-N 3.27Å; M252-M254 PolarHBondContact O-N 3.35Å; M254-G256 VanDerWaalsContact C-N 3.26Å; M254-G256 PolarHBondContact O-N 3.12Å
255	G	94.4	Very high	95.9	Very high	36 Å²	36	22.5 Å²	22.5	37%	0.371	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	16.5	-179.8	0	0	0	0	0	114.2	N251 M252 K253	N251-G255 PolarHBondContact O-N 2.97Å; M252-G255 PolarHBondContact O-N 2.88Å; K253-G255 VanDerWaalsContact C-N 3.25Å; K253-G255 PolarHBondContact O-N 2.86Å
256	G	96.7	Very high	95.9	Very high	5 Å²	5	22.1 Å²	22.1	5%	0.052	14%	0.136	C	C	.	.			trans	-83.7	151.9	172.1	0	0	0	0	0	112	Q122 N251 M252 M254	Q122-G256 CarbonylContact O-C 3.58Å; Q122-G256 VanDerWaalsContact O-CA 3.28Å; Q122-G256 WeakPolarHBondContact O-CA 3.26Å; N251-G256 WeakPolarHBondContact O-CA 3.48Å; N251-G256 PolarHBondContact O-N 2.88Å; M252-G256 WeakPolarHBondContact CA-O 3.42Å; M254-G256 VanDerWaalsContact C-N 3.26Å; M254-G256 PolarHBondContact O-N 3.12Å
257	V	96.4	Very high	95.9	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-104.5	112.2	174.8	177.3	0	0	0	0	109.3	F121 Q122 T259 R260 A308 E309	F121-V257 HydrophobicContact CB-CG1 4.23Å; F121-V257 WeakPolarHBondContact CB-O 3.38Å; F121-V257 HydrophobicContact CD1-CB 4.24Å; F121-V257 HydrophobicContact CD1-CG1 4.11Å; F121-V257 HydrophobicContact CG-CG1 4.48Å; F121-V257 PolarHBondContact N-O 3.38Å; F121-V257 VanDerWaalsContact N-O 3.14Å; Q122-V257 HydrophobicContact CB-CB 4.01Å; Q122-V257 HydrophobicContact CB-CG2 4.48Å; Q122-V257 PolarHBondContact N-O 3.02Å; Q122-V257 CarbonylContact O-C 3.55Å; Q122-V257 PolarHBondContact O-N 2.89Å; Q122-V257 VanDerWaalsContact O-O 3.13Å; V257-T259 WeakPolarHBondContact CG1-O 3.33Å; V257-R260 HydrophobicContact CG1-CG 3.72Å; V257-A308 HydrophobicContact CB-CB 4.5Å; V257-A308 HydrophobicContact CG1-CB 3.65Å; V257-A308 HydrophobicContact CG2-CB 4.02Å; V257-E309 HydrophobicContact CG2-CG 3.89Å
258	N	96.3	Very high	95.8	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	15%	0.154	C	C	.	.	S	Bend	trans	-63.7	-48.5	179.2	-68	-11.5	0	0	0	111.4	Y97 F120 F121 L248 N251 M252 G476	Y97-N258 VanDerWaalsContact CD1-O 3.28Å; Y97-N258 WeakPolarHBondContact CD1-O 3.47Å; Y97-N258 WeakPolarHBondContact CE1-O 3.46Å; F120-N258 WeakPolarHBondContact CA-O 3.36Å; F120-N258 HydrophobicContact CD1-CB 4.07Å; F120-N258 HydrophobicContact CE1-CB 4.49Å; F121-N258 PolarHBondContact N-O 3.48Å; L248-N258 WeakPolarHBondContact CA-ND2 3.4Å; L248-N258 HydrophobicContact CD2-CB 3.94Å; L248-N258 VanDerWaalsContact CD2-ND2 3.3Å; L248-N258 WeakPolarHBondContact CD2-ND2 3.46Å; L248-N258 PolarHBondContact O-ND2 3.11Å; N251-N258 VanDerWaalsContact CB-OD1 3.28Å; N251-N258 WeakPolarHBondContact CB-OD1 3.44Å; N251-N258 PolarHBondContact ND2-OD1 3.3Å; M252-N258 WeakPolarHBondContact CG-ND2 3.32Å; N258-G476 PolarHBondContact ND2-O 3.19Å
259	T	95	Very high	95.8	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.055	17%	0.173	C	C	.	.			trans	-154	156	-177.7	-171.3	0	0	0	0	110.3	E96 Y97 V257	E96-T259 WeakPolarHBondContact O-CA 3.47Å; E96-T259 PolarHBondContact O-OG1 3.49Å; Y97-T259 WeakPolarHBondContact CE2-OG1 3.36Å; V257-T259 WeakPolarHBondContact CG1-O 3.33Å
260	R	93.6	Very high	95.8	Very high	33 Å²	33	28.9 Å²	28.9	13%	0.125	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156	170.6	-69.6	-171.8	172.4	170.8	0	110.8	L95 E96 F121 V257 L262 Y306 A308	L95-R260 WeakPolarHBondContact CA-O 3.37Å; E96-R260 HydrophobicContact CB-CB 4.33Å; E96-R260 PolarHBondContact N-O 2.88Å; E96-R260 PolarHBondContact O-N 2.74Å; E96-R260 VanDerWaalsContact O-N 3.14Å; F121-R260 HydrophobicContact CD1-CG 4.02Å; F121-R260 HydrophobicContact CD2-CG 4.37Å; F121-R260 HydrophobicContact CE1-CG 4.27Å; F121-R260 VanDerWaalsContact CE1-NE 3.33Å; F121-R260 VanDerWaalsContact CE1-NH1 3.3Å; F121-R260 HydrophobicContact CG-CG 4.1Å; V257-R260 HydrophobicContact CG1-CG 3.72Å; R260-L262 PolarHBondContact O-N 3.38Å; R260-Y306 VanDerWaalsContact NH1-CD2 3.32Å; R260-Y306 VanDerWaalsContact NH1-CE2 3.28Å; R260-A308 HydrophobicContact CG-CB 4.24Å
261	L	94.2	Very high	95.7	Very high	11 Å²	11	29 Å²	29	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.8	162.4	-62.4	-177.7	0	0	0	108.1	L93 L95 G263 V267 L271 I474	L93-L261 HydrophobicContact CD2-CB 3.42Å; L93-L261 VanDerWaalsContact CD2-CB 3.42Å; L93-L261 HydrophobicContact CD2-CD1 4.36Å; L93-L261 HydrophobicContact CD2-CD2 3.49Å; L93-L261 VanDerWaalsContact CD2-CD2 3.49Å; L93-L261 HydrophobicContact CD2-CG 3.89Å; L95-L261 HydrophobicContact CD2-CD2 4.3Å; L261-G263 PolarHBondContact O-N 2.78Å; L261-V267 HydrophobicContact CB-CG1 4.25Å; L261-V267 HydrophobicContact CB-CG2 4.43Å; L261-L271 HydrophobicContact CD1-CD1 4.23Å; L261-I474 HydrophobicContact CD2-CG2 3.55Å; L261-I474 HydrophobicContact CG-CG2 3.74Å
262	L	94.4	Very high	95.6	Very high	42 Å²	42	30 Å²	30	22%	0.22	18%	0.181	C	C	.	.			trans	-58.6	128.6	173	-178.3	68.7	0	0	0	108.8	K94 V105 R260 D264	K94-L262 HydrophobicContact CB-CB 4.09Å; K94-L262 HydrophobicContact CB-CD2 3.8Å; K94-L262 HydrophobicContact CD-CD2 4.05Å; K94-L262 HydrophobicContact CG-CD2 4.32Å; K94-L262 VanDerWaalsContact O-CB 3.25Å; K94-L262 WeakPolarHBondContact O-CB 3.41Å; K94-L262 PolarHBondContact O-N 2.59Å; V105-L262 HydrophobicContact CG1-CD2 4.43Å; V105-L262 HydrophobicContact CG2-CD1 4.12Å; R260-L262 PolarHBondContact O-N 3.38Å; L262-D264 PolarHBondContact O-N 2.83Å
263	G	91.2	Very high	95.5	Very high	33 Å²	33	34.9 Å²	34.9	34%	0.34	21%	0.208	S	C	.	.			trans	-72.6	56.9	179.2	0	0	0	0	0	113.5	L261 K268	L261-G263 PolarHBondContact O-N 2.78Å; G263-K268 WeakPolarHBondContact O-CD 3.47Å; G263-K268 WeakPolarHBondContact O-CE 3.32Å
264	D	92.5	Very high	95.5	Very high	46 Å²	46	39.2 Å²	39.2	25%	0.246	22%	0.224	C	C	.	.			trans	-71.5	169.7	173.5	79.1	10.9	0	0	0	111.3	L93 L262 F266 V267 K268	L93-D264 WeakPolarHBondContact CD1-OD2 3.14Å; L262-D264 PolarHBondContact O-N 2.83Å; D264-F266 PolarHBondContact O-N 3.35Å; D264-F266 WeakPolarHBondContact OD1-CA 3.28Å; D264-F266 WeakPolarHBondContact OD1-CB 3.47Å; D264-F266 PolarHBondContact OD1-N 2.82Å; D264-V267 PolarHBondContact O-N 2.81Å; D264-V267 PolarHBondContact OD1-N 2.87Å; D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CG 3.3Å; D264-K268 PolarHBondContact O-N 3.14Å
265	P	95.9	Very high	95.5	Very high	110 Å²	110	38.9 Å²	38.9	71%	0.714	22%	0.223	S	C	*	.	H	α-helix	trans	-56.7	-32.6	-178.8	-27.7	36.6	0	0	0	114	A269	P265-A269 WeakPolarHBondContact O-CB 3.38Å; P265-A269 PolarHBondContact O-N 3.22Å
266	F	96.1	Very high	95.7	Very high	49 Å²	49	37.2 Å²	37.2	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-69.6	-50.8	179.3	177.1	-83.6	0	0	0	111.1	D264 K268 A269 N270 T463 A466 I467 Y470	D264-F266 PolarHBondContact O-N 3.35Å; D264-F266 WeakPolarHBondContact OD1-CA 3.28Å; D264-F266 WeakPolarHBondContact OD1-CB 3.47Å; D264-F266 PolarHBondContact OD1-N 2.82Å; F266-K268 VanDerWaalsContact C-N 3.31Å; F266-K268 PolarHBondContact O-N 3.41Å; F266-A269 PolarHBondContact O-N 2.89Å; F266-N270 WeakPolarHBondContact CD2-ND2 3.35Å; F266-N270 WeakPolarHBondContact O-CB 3.22Å; F266-N270 PolarHBondContact O-N 3.48Å; F266-N270 VanDerWaalsContact O-N 3.08Å; F266-N270 PolarHBondContact O-ND2 3.07Å; F266-T463 HydrophobicContact CE2-CG2 4.08Å; F266-T463 HydrophobicContact CZ-CG2 3.95Å; F266-A466 HydrophobicContact CE1-CB 3.91Å; F266-A466 HydrophobicContact CE2-CB 4.05Å; F266-A466 HydrophobicContact CZ-CB 3.45Å; F266-A466 VanDerWaalsContact CZ-CB 3.45Å; F266-I467 HydrophobicContact CE1-CG1 4.1Å; F266-I467 HydrophobicContact CZ-CG1 4.11Å; F266-Y470 AromaticContact CD1-CD2 4Å; F266-Y470 HydrophobicContact CD1-CD2 4Å; F266-Y470 AromaticContact CD1-CE2 3.5Å; F266-Y470 HydrophobicContact CD1-CE2 3.5Å; F266-Y470 VanDerWaalsContact CD1-CE2 3.5Å; F266-Y470 AromaticContact CE1-CD2 3.86Å; F266-Y470 HydrophobicContact CE1-CD2 3.86Å; F266-Y470 AromaticContact CE1-CE2 3.61Å; F266-Y470 HydrophobicContact CE1-CE2 3.61Å; F266-Y470 HydrophobicContact CG-CE2 4.38Å
267	V	96.2	Very high	95.8	Very high	4 Å²	4	37 Å²	37	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-42.3	180	173	0	0	0	0	110.3	L93 L261 D264 L271 T272 Y470	L93-V267 HydrophobicContact CD1-CG2 3.79Å; L93-V267 HydrophobicContact CD2-CG2 3.78Å; L93-V267 HydrophobicContact CG-CG2 4.47Å; L261-V267 HydrophobicContact CB-CG1 4.25Å; L261-V267 HydrophobicContact CB-CG2 4.43Å; D264-V267 PolarHBondContact O-N 2.81Å; D264-V267 PolarHBondContact OD1-N 2.87Å; V267-L271 HydrophobicContact CG1-CD1 4.45Å; V267-L271 WeakPolarHBondContact O-CA 3.37Å; V267-L271 VanDerWaalsContact O-CB 3.31Å; V267-L271 WeakPolarHBondContact O-CB 3.33Å; V267-L271 PolarHBondContact O-N 2.95Å; V267-T272 PolarHBondContact O-N 3.31Å; V267-T272 VanDerWaalsContact O-N 3.15Å; V267-Y470 HydrophobicContact CG2-CD2 4.34Å
268	K	96.3	Very high	95.9	Very high	99 Å²	99	36.8 Å²	36.8	43%	0.43	20%	0.202	S	C	.	.	I	π-helix	trans	-60.1	-56.5	176.2	-77.2	179.3	171.2	173.7	0	111.9	G263 D264 F266 N270 T272 D273	G263-K268 WeakPolarHBondContact O-CD 3.47Å; G263-K268 WeakPolarHBondContact O-CE 3.32Å; D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CG 3.3Å; D264-K268 PolarHBondContact O-N 3.14Å; F266-K268 VanDerWaalsContact C-N 3.31Å; F266-K268 PolarHBondContact O-N 3.41Å; K268-N270 VanDerWaalsContact C-N 3.31Å; K268-N270 PolarHBondContact O-N 2.85Å; K268-T272 PolarHBondContact O-N 2.89Å; K268-D273 VanDerWaalsContact O-CB 3.27Å; K268-D273 WeakPolarHBondContact O-CB 3.31Å; K268-D273 PolarHBondContact O-N 3.12Å
269	A	97	Very high	96	Very high	50 Å²	50	36.6 Å²	36.6	41%	0.413	20%	0.2	S	C	.	.	I	π-helix	trans	-66.2	-29	-174	0	0	0	0	0	114.3	P265 F266 R274	P265-A269 WeakPolarHBondContact O-CB 3.38Å; P265-A269 PolarHBondContact O-N 3.22Å; F266-A269 PolarHBondContact O-N 2.89Å; A269-R274 PolarHBondContact O-NE 3.39Å
270	N	97	Very high	96.2	Very high	21 Å²	21	36.1 Å²	36.1	11%	0.112	20%	0.198	C	C	.	.	I	π-helix	trans	-104.3	-21.2	-174.5	-63.8	-72.7	0	0	0	114.3	F266 K268 T276 Q348 T463 I467	F266-N270 WeakPolarHBondContact CD2-ND2 3.35Å; F266-N270 WeakPolarHBondContact O-CB 3.22Å; F266-N270 PolarHBondContact O-N 3.48Å; F266-N270 VanDerWaalsContact O-N 3.08Å; F266-N270 PolarHBondContact O-ND2 3.07Å; K268-N270 VanDerWaalsContact C-N 3.31Å; K268-N270 PolarHBondContact O-N 2.85Å; N270-T276 PolarHBondContact O-OG1 3.28Å; N270-Q348 PolarHBondContact O-NE2 3.44Å; N270-T463 HydrophobicContact CB-CG2 4.3Å; N270-T463 VanDerWaalsContact OD1-CG2 3.29Å; N270-T463 WeakPolarHBondContact OD1-CG2 3.41Å; N270-I467 HydrophobicContact CB-CD1 4.18Å
271	L	97	Very high	96.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.192	C	C	.	.	I	π-helix	trans	-123.9	-68.8	-177	-60	175.3	0	0	0	112.2	L261 V267 R274 D275 T276 I350 I467	L261-L271 HydrophobicContact CD1-CD1 4.23Å; V267-L271 HydrophobicContact CG1-CD1 4.45Å; V267-L271 WeakPolarHBondContact O-CA 3.37Å; V267-L271 VanDerWaalsContact O-CB 3.31Å; V267-L271 WeakPolarHBondContact O-CB 3.33Å; V267-L271 PolarHBondContact O-N 2.95Å; L271-R274 PolarHBondContact O-N 3.25Å; L271-D275 PolarHBondContact O-N 3.33Å; L271-T276 WeakPolarHBondContact CA-OG1 3.29Å; L271-T276 HydrophobicContact CD2-CG2 3.96Å; L271-T276 VanDerWaalsContact O-CB 3.3Å; L271-T276 WeakPolarHBondContact O-CB 3.48Å; L271-T276 PolarHBondContact O-N 3.27Å; L271-T276 VanDerWaalsContact O-N 3.11Å; L271-T276 PolarHBondContact O-OG1 2.73Å; L271-I350 HydrophobicContact CD2-CD1 4.09Å; L271-I467 HydrophobicContact CD2-CD1 4.35Å; L271-I467 HydrophobicContact CD2-CG1 4.37Å; L271-I467 HydrophobicContact CD2-CG2 4.23Å
272	T	95.7	Very high	96.3	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	19%	0.194	C	C	.	.	I	π-helix	trans	-69.9	-47.2	-166.5	-51.4	0	0	0	0	113.1	V267 K268 R274 D275 V305 Y306	V267-T272 PolarHBondContact O-N 3.31Å; V267-T272 VanDerWaalsContact O-N 3.15Å; K268-T272 PolarHBondContact O-N 2.89Å; T272-R274 PolarHBondContact O-N 3.36Å; T272-D275 PolarHBondContact O-N 3.12Å; T272-V305 HydrophobicContact CG2-CB 4.39Å; T272-V305 HydrophobicContact CG2-CG2 4.35Å; T272-Y306 HydrophobicContact CG2-CD1 4.29Å; T272-Y306 HydrophobicContact CG2-CE1 4.22Å
273	D	96.2	Very high	96	Very high	113 Å²	113	33.4 Å²	33.4	60%	0.604	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.4	-177	-61.9	-13.8	0	0	0	112.2	K268	K268-D273 VanDerWaalsContact O-CB 3.27Å; K268-D273 WeakPolarHBondContact O-CB 3.31Å; K268-D273 PolarHBondContact O-N 3.12Å
274	R	96.4	Very high	95.8	Very high	100 Å²	100	32.7 Å²	32.7	38%	0.377	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.9	174	-67.7	-166.8	177.5	-166.7	-4.2	113.8	A269 L271 T272 T276 G347 Q348	A269-R274 PolarHBondContact O-NE 3.39Å; L271-R274 PolarHBondContact O-N 3.25Å; T272-R274 PolarHBondContact O-N 3.36Å; R274-T276 VanDerWaalsContact C-N 3.31Å; R274-T276 PolarHBondContact O-N 3.23Å; R274-G347 CarbonylContact O-C 3.54Å; R274-G347 VanDerWaalsContact O-CA 3.3Å; R274-G347 WeakPolarHBondContact O-CA 3.03Å; R274-G347 PolarHBondContact O-N 3.32Å; R274-Q348 HydrophobicContact CB-CB 4.15Å; R274-Q348 PolarHBondContact O-N 2.91Å
275	D	97.2	Very high	95.3	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	52.9	-173.8	-69.9	-43.4	0	0	0	111.8	L271 T272 L277 V305 F338 R344 P346 G347	L271-D275 PolarHBondContact O-N 3.33Å; T272-D275 PolarHBondContact O-N 3.12Å; D275-L277 PolarHBondContact O-N 3.29Å; D275-V305 WeakPolarHBondContact OD1-CG1 3.4Å; D275-F338 HydrophobicContact CB-CE1 4.13Å; D275-F338 HydrophobicContact CB-CZ 4.08Å; D275-R344 IonicContact OD1-CZ 3.63Å; D275-R344 IonicContact OD1-NE 3.91Å; D275-R344 PolarHBondContact OD1-NE 2.58Å; D275-R344 IonicContact OD1-NH2 3.03Å; D275-R344 PolarHBondContact OD1-NH2 2.81Å; D275-R344 VanDerWaalsContact OD2-CD 3.3Å; D275-R344 WeakPolarHBondContact OD2-CD 3.39Å; D275-R344 IonicContact OD2-CZ 3.81Å; D275-R344 IonicContact OD2-NE 2.85Å; D275-R344 PolarHBondContact OD2-NE 3.31Å; D275-R344 VanDerWaalsContact OD2-NE 3.1Å; D275-R344 IonicContact OD2-NH2 3.96Å; D275-P346 WeakPolarHBondContact O-CA 3.3Å; D275-P346 WeakPolarHBondContact O-CB 3.42Å; D275-G347 PolarHBondContact O-N 3Å
276	T	98.4	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.7	-170.6	-58.1	0	0	0	0	111.8	N270 L271 R274 V278 N302 Q348 I350	N270-T276 PolarHBondContact O-OG1 3.28Å; L271-T276 WeakPolarHBondContact CA-OG1 3.29Å; L271-T276 HydrophobicContact CD2-CG2 3.96Å; L271-T276 VanDerWaalsContact O-CB 3.3Å; L271-T276 WeakPolarHBondContact O-CB 3.48Å; L271-T276 PolarHBondContact O-N 3.27Å; L271-T276 VanDerWaalsContact O-N 3.11Å; L271-T276 PolarHBondContact O-OG1 2.73Å; R274-T276 VanDerWaalsContact C-N 3.31Å; R274-T276 PolarHBondContact O-N 3.23Å; T276-V278 HydrophobicContact CG2-CG2 3.87Å; T276-N302 PolarHBondContact O-ND2 3.45Å; T276-Q348 WeakPolarHBondContact CA-O 3.49Å; T276-Q348 HydrophobicContact CG2-CG 4.24Å; T276-Q348 PolarHBondContact OG1-NE2 3.32Å; T276-I350 HydrophobicContact CG2-CD1 3.81Å; T276-I350 HydrophobicContact CG2-CG1 3.85Å
277	L	98.8	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.6	164.3	177.1	62.3	0	0	0	109.3	D275 L279 N302 I335 F338 P346 Q348 I349 I350	D275-L277 PolarHBondContact O-N 3.29Å; L277-L279 HydrophobicContact CD1-CD2 3.91Å; L277-L279 HydrophobicContact CD2-CD2 3.96Å; L277-L279 HydrophobicContact CD2-CG 4.36Å; L277-L279 HydrophobicContact CG-CD2 3.77Å; L277-L279 HydrophobicContact CG-CG 4.05Å; L277-N302 WeakPolarHBondContact CD1-O 3.39Å; L277-I335 HydrophobicContact CD2-CB 4.44Å; L277-I335 HydrophobicContact CD2-CG1 3.73Å; L277-F338 HydrophobicContact CB-CD2 4.49Å; L277-F338 HydrophobicContact CD1-CB 4.26Å; L277-F338 HydrophobicContact CD1-CD2 4.18Å; L277-P346 HydrophobicContact CB-CB 3.7Å; L277-P346 HydrophobicContact CB-CG 3.64Å; L277-P346 HydrophobicContact CD2-CG 3.84Å; L277-P346 HydrophobicContact CG-CG 4.35Å; L277-Q348 PolarHBondContact N-O 3.19Å; L277-I349 HydrophobicContact CB-CG1 4.38Å; L277-I349 CarbonylContact O-C 3.58Å; L277-I349 VanDerWaalsContact O-CA 3.31Å; L277-I349 WeakPolarHBondContact O-CA 3.33Å; L277-I350 PolarHBondContact O-N 3.36Å
278	V	98.8	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.1	172.5	-169.7	0	0	0	0	109.6	T276 G301 N302 I350 F352 L471 P487	T276-V278 HydrophobicContact CG2-CG2 3.87Å; V278-G301 WeakPolarHBondContact O-CA 3.41Å; V278-N302 WeakPolarHBondContact CA-OD1 3.47Å; V278-N302 PolarHBondContact N-OD1 3.02Å; V278-N302 PolarHBondContact O-N 3Å; V278-N302 PolarHBondContact O-OD1 2.92Å; V278-I350 CarbonylContact C-O 3.57Å; V278-I350 VanDerWaalsContact CA-O 3.32Å; V278-I350 WeakPolarHBondContact CA-O 3.39Å; V278-F352 HydrophobicContact CG1-CD2 3.91Å; V278-F352 HydrophobicContact CG1-CE2 3.86Å; V278-L471 HydrophobicContact CG1-CD1 3.76Å; V278-L471 HydrophobicContact CG2-CD1 4.48Å; V278-L471 HydrophobicContact CG2-CD2 4.47Å; V278-P487 HydrophobicContact CB-CG 4.35Å; V278-P487 HydrophobicContact CG1-CB 4.34Å; V278-P487 HydrophobicContact CG1-CG 3.51Å
279	L	98.7	Very high	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.7	179.3	-60.2	176.2	0	0	0	111.1	L277 V299 V300 F331 R334 I349 I350 L351 F352 L372	L277-L279 HydrophobicContact CD1-CD2 3.91Å; L277-L279 HydrophobicContact CD2-CD2 3.96Å; L277-L279 HydrophobicContact CD2-CG 4.36Å; L277-L279 HydrophobicContact CG-CD2 3.77Å; L277-L279 HydrophobicContact CG-CG 4.05Å; L279-V299 HydrophobicContact CD2-CG1 4.1Å; L279-V300 CarbonylContact C-O 3.45Å; L279-V300 VanDerWaalsContact CA-O 3.23Å; L279-V300 WeakPolarHBondContact CA-O 3.39Å; L279-F331 HydrophobicContact CD1-CD1 3.8Å; L279-F331 HydrophobicContact CD1-CE1 3.96Å; L279-R334 HydrophobicContact CD2-CB 3.96Å; L279-R334 HydrophobicContact CD2-CG 4.21Å; L279-I349 HydrophobicContact CD1-CG2 3.71Å; L279-I349 HydrophobicContact CG-CG2 4.17Å; L279-I350 PolarHBondContact N-O 3.27Å; L279-L351 HydrophobicContact CB-CB 4.3Å; L279-L351 HydrophobicContact CB-CG 4.18Å; L279-L351 HydrophobicContact CD1-CD1 4.4Å; L279-F352 PolarHBondContact O-N 2.88Å; L279-L372 HydrophobicContact CD1-CD1 4.26Å
280	G	98.2	Very high	88.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.6	164.6	0	0	0	0	0	109.7	V299 V300 F352	G280-V299 WeakPolarHBondContact O-CA 3.38Å; G280-V300 PolarHBondContact N-O 3.23Å; G280-V300 PolarHBondContact O-N 2.92Å; G280-F352 CarbonylContact C-O 3.56Å; G280-F352 WeakPolarHBondContact CA-O 3.34Å
281	V	96.4	Very high	86.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130	179.8	-175.4	0	0	0	0	109.9	V298 V299 L327 F331 L351 F352 R353 D354	V281-V298 WeakPolarHBondContact CA-O 3.02Å; V281-V299 HydrophobicContact CG2-CG1 4.37Å; V281-V299 HydrophobicContact CG2-CG2 4.37Å; V281-L327 HydrophobicContact CG1-CD1 3.98Å; V281-F331 HydrophobicContact CG2-CE1 4.06Å; V281-F331 HydrophobicContact CG2-CZ 4.4Å; V281-L351 HydrophobicContact CB-CD2 4.47Å; V281-L351 HydrophobicContact CG2-CD1 4.04Å; V281-L351 HydrophobicContact CG2-CD2 3.98Å; V281-L351 HydrophobicContact CG2-CG 3.92Å; V281-F352 PolarHBondContact N-O 2.92Å; V281-R353 VanDerWaalsContact CG1-CD 3.48Å; V281-D354 PolarHBondContact O-N 2.8Å
282	D	93.7	Very high	85.6	Confident	18 Å²	18	40 Å²	40	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.8	174.2	-175.6	33	0	0	0	110.7	V298 A491 H492 C495	D282-V298 PolarHBondContact N-O 3.36Å; D282-V298 VanDerWaalsContact N-O 3.14Å; D282-V298 PolarHBondContact O-N 3.47Å; D282-A491 HydrophobicContact CB-CB 3.75Å; D282-H492 IonicContact OD1-CD2 2.62Å; D282-H492 IonicContact OD1-NE2 3.26Å; D282-H492 IonicContact OD2-CD2 3.65Å; D282-H492 PolarHBondContact OD2-CD2 3.38Å; D282-H492 IonicContact OD2-CG 2.71Å; D282-H492 IonicContact OD2-NE2 3.85Å; D282-C495 PolarHBondContact OD2-SG 3.28Å
283	V	89.3	Confident	84.7	Confident	11 Å²	11	39.1 Å²	39.1	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	174.9	-179.2	0	0	0	0	108.6	H285 V296 V324	V283-H285 VanDerWaalsContact CG1-CE1 3.46Å; V283-H285 WeakPolarHBondContact CG1-CE1 3.35Å; V283-V296 WeakPolarHBondContact CA-O 3.42Å; V283-V324 HydrophobicContact CG2-CG2 3.22Å
284	T	85.5	Confident	84	Confident	17 Å²	17	34.2 Å²	34.2	10%	0.104	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.9	171.2	-158.6	0	0	0	0	111.4	S295 V296 C495 R499	T284-S295 CarbonylContact O-C 3.56Å; T284-S295 VanDerWaalsContact O-CA 3.26Å; T284-S295 WeakPolarHBondContact O-CA 3.08Å; T284-S295 WeakPolarHBondContact O-CB 3.46Å; T284-V296 HydrophobicContact CG2-CB 3.96Å; T284-V296 PolarHBondContact N-O 3.21Å; T284-V296 PolarHBondContact O-N 3.48Å; T284-C495 HydrophobicContact CG2-CB 4.11Å; T284-R499 HydrophobicContact CG2-CG 3.95Å; T284-R499 WeakPolarHBondContact OG1-CD 3.45Å
285	H	82.2	Confident	83.6	Confident	51 Å²	51	29.5 Å²	29.5	24%	0.236	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-99.1	150.9	176.3	-60.1	-56.7	0	0	0	111.5	V283 S295 E322 R499	V283-H285 VanDerWaalsContact CG1-CE1 3.46Å; V283-H285 WeakPolarHBondContact CG1-CE1 3.35Å; H285-S295 WeakPolarHBondContact ND1-CB 3.45Å; H285-S295 PolarHBondContact ND1-OG 2.89Å; H285-E322 IonicContact CD2-OE1 3.74Å; H285-E322 IonicContact NE2-OE1 2.7Å; H285-E322 PolarHBondContact NE2-OE1 3.41Å; H285-E322 VanDerWaalsContact NE2-OE1 3.1Å; H285-E322 IonicContact NE2-OE2 3.17Å; H285-R499 PolarHBondContact O-NH1 3.36Å
286	P	72.3	Confident	83.2	Confident	18 Å²	18	28.7 Å²	28.7	12%	0.117	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-60.1	156.4	170.8	31.1	-40.6	0	0	0	111.2	D290 S293	P286-D290 HydrophobicContact CB-CB 4.17Å; P286-S293 WeakPolarHBondContact CG-O 3.46Å
287	P	69.4	Low	82.8	Confident	56 Å²	56	28.7 Å²	28.7	36%	0.364	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-52.2	151.3	171.5	-22.8	32.7	0	0	0	112	A289 D290	P287-A289 PolarHBondContact O-N 2.8Å; P287-A289 VanDerWaalsContact O-N 3.08Å; P287-D290 HydrophobicContact CB-CB 4.45Å; P287-D290 WeakPolarHBondContact O-CA 3.43Å; P287-D290 PolarHBondContact O-N 2.92Å; P287-D290 VanDerWaalsContact O-O 3.13Å
288	V	62.8	Low	82.6	Confident	132 Å²	132	28.7 Å²	28.7	80%	0.8	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.3	-178.4	-179.5	0	0	0	0	112.9	D290 R320	V288-D290 VanDerWaalsContact C-N 3.3Å; V288-R320 PolarHBondContact O-NH2 3.25Å
289	A	64.1	Low	82.5	Confident	104 Å²	104	28.7 Å²	28.7	86%	0.86	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.9	178.1	0	0	0	0	0	114.1	P287	P287-A289 PolarHBondContact O-N 2.8Å; P287-A289 VanDerWaalsContact O-N 3.08Å
290	D	68.1	Low	82.5	Confident	20 Å²	20	28.7 Å²	28.7	11%	0.107	18%	0.183	C	C	.	.			trans	-100.3	105.5	177.6	-177.5	-8.2	0	0	0	108.7	P286 P287 V288 D292 S293	P286-D290 HydrophobicContact CB-CB 4.17Å; P287-D290 HydrophobicContact CB-CB 4.45Å; P287-D290 WeakPolarHBondContact O-CA 3.43Å; P287-D290 PolarHBondContact O-N 2.92Å; P287-D290 VanDerWaalsContact O-O 3.13Å; V288-D290 VanDerWaalsContact C-N 3.3Å; D290-D292 PolarHBondContact OD1-N 3.41Å; D290-D292 VanDerWaalsContact OD1-N 3.12Å; D290-S293 VanDerWaalsContact CG-OG 3.26Å; D290-S293 PolarHBondContact OD1-N 3.24Å; D290-S293 PolarHBondContact OD1-OG 3.1Å; D290-S293 WeakPolarHBondContact OD2-CB 3.42Å; D290-S293 PolarHBondContact OD2-OG 3.03Å
291	S	63.2	Low	82.5	Confident	75 Å²	75	28.8 Å²	28.8	52%	0.524	18%	0.183	S	C	.	.	S	Bend	trans	-84.1	-14.9	-177.7	51.5	0	0	0	0	114
292	D	72.4	Confident	82.5	Confident	79 Å²	79	28.8 Å²	28.8	42%	0.422	18%	0.183	S	C	.	.	S	Bend	trans	-113.1	-29.3	-161	-63.6	-4.2	0	0	0	113	D290 R522	D290-D292 PolarHBondContact OD1-N 3.41Å; D290-D292 VanDerWaalsContact OD1-N 3.12Å; D292-R522 IonicContact OD2-NH1 3.38Å; D292-R522 PolarHBondContact OD2-NH1 3.23Å
293	S	76.9	Confident	82.7	Confident	2 Å²	2	29 Å²	29	1%	0.014	19%	0.185	C	C	.	.	S	Bend	trans	-67.2	140.9	-177.1	-65.4	0	0	0	0	111.8	P286 D290 T506	P286-S293 WeakPolarHBondContact CG-O 3.46Å; D290-S293 VanDerWaalsContact CG-OG 3.26Å; D290-S293 PolarHBondContact OD1-N 3.24Å; D290-S293 PolarHBondContact OD1-OG 3.1Å; D290-S293 WeakPolarHBondContact OD2-CB 3.42Å; D290-S293 PolarHBondContact OD2-OG 3.03Å; S293-T506 WeakPolarHBondContact OG-CG2 3.48Å
294	P	82.5	Confident	83	Confident	11 Å²	11	28.9 Å²	28.9	7%	0.071	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-68	162.1	177.9	29	-34.3	0	0	0	111.1	T316 Q317 F526	P294-T316 HydrophobicContact CG-CG2 4.31Å; P294-Q317 VanDerWaalsContact CB-O 3.26Å; P294-Q317 WeakPolarHBondContact CB-O 3.38Å; P294-F526 HydrophobicContact CG-CB 3.96Å; P294-F526 HydrophobicContact CG-CD1 3.64Å; P294-F526 HydrophobicContact CG-CD2 4.19Å; P294-F526 HydrophobicContact CG-CE1 4.13Å; P294-F526 HydrophobicContact CG-CG 3.67Å
295	S	86.5	Confident	83.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	157.3	163.7	-53.2	0	0	0	0	109	T284 H285 Q317 R320	T284-S295 CarbonylContact O-C 3.56Å; T284-S295 VanDerWaalsContact O-CA 3.26Å; T284-S295 WeakPolarHBondContact O-CA 3.08Å; T284-S295 WeakPolarHBondContact O-CB 3.46Å; H285-S295 WeakPolarHBondContact ND1-CB 3.45Å; H285-S295 PolarHBondContact ND1-OG 2.89Å; S295-Q317 PolarHBondContact N-O 3.46Å; S295-Q317 VanDerWaalsContact N-O 3.16Å; S295-Q317 WeakPolarHBondContact O-CG 3.31Å; S295-Q317 PolarHBondContact O-N 3.47Å; S295-R320 PolarHBondContact OG-N 3.12Å; S295-R320 VanDerWaalsContact OG-N 3.12Å
296	V	88.6	Confident	83.9	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.1	177.2	-177.8	0	0	0	0	108.5	V283 T284 V298 M314 R315 I530	V283-V296 WeakPolarHBondContact CA-O 3.42Å; T284-V296 HydrophobicContact CG2-CB 3.96Å; T284-V296 PolarHBondContact N-O 3.21Å; T284-V296 PolarHBondContact O-N 3.48Å; V296-V298 HydrophobicContact CG1-CG2 4.17Å; V296-M314 HydrophobicContact CG1-CB 4.31Å; V296-R315 CarbonylContact C-O 3.57Å; V296-R315 WeakPolarHBondContact CA-O 3.49Å; V296-I530 HydrophobicContact CG1-CD1 3.85Å; V296-I530 HydrophobicContact CG2-CD1 4.42Å
297	G	90.7	Very high	85	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.7	170.3	0	0	0	0	0	110	M314 R315	G297-M314 WeakPolarHBondContact O-CA 3.44Å; G297-R315 PolarHBondContact N-O 2.73Å; G297-R315 PolarHBondContact O-N 2.84Å
298	V	94.3	Very high	86.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.3	-177.1	175.6	0	0	0	0	109.8	V281 D282 V296 V300 S313 M314 A491 A494 C495	V281-V298 WeakPolarHBondContact CA-O 3.02Å; D282-V298 PolarHBondContact N-O 3.36Å; D282-V298 VanDerWaalsContact N-O 3.14Å; D282-V298 PolarHBondContact O-N 3.47Å; V296-V298 HydrophobicContact CG1-CG2 4.17Å; V298-V300 HydrophobicContact CG1-CG2 4.11Å; V298-S313 WeakPolarHBondContact CA-O 3.48Å; V298-M314 HydrophobicContact CG1-CG 4.33Å; V298-M314 HydrophobicContact CG2-CB 4.31Å; V298-M314 HydrophobicContact CG2-CG 3.9Å; V298-A491 HydrophobicContact CG1-CB 4.42Å; V298-A494 HydrophobicContact CG1-CB 3.55Å; V298-C495 HydrophobicContact CG2-CB 4.37Å; V298-C495 WeakPolarHBondContact CG2-SG 3.44Å
299	V	96.6	Very high	87.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121	170.4	-172.2	0	0	0	0	108.6	L279 G280 V281 A312 S313 L327 E330 F331 R334	L279-V299 HydrophobicContact CD2-CG1 4.1Å; G280-V299 WeakPolarHBondContact O-CA 3.38Å; V281-V299 HydrophobicContact CG2-CG1 4.37Å; V281-V299 HydrophobicContact CG2-CG2 4.37Å; V299-A312 CarbonylContact O-C 3.43Å; V299-A312 WeakPolarHBondContact O-CA 3.2Å; V299-S313 PolarHBondContact N-O 3.16Å; V299-S313 PolarHBondContact O-N 3.42Å; V299-L327 HydrophobicContact CG2-CD1 4.3Å; V299-L327 HydrophobicContact CG2-CD2 3.53Å; V299-L327 HydrophobicContact CG2-CG 4.37Å; V299-E330 HydrophobicContact CB-CB 4.06Å; V299-E330 HydrophobicContact CG2-CB 3.65Å; V299-E330 HydrophobicContact CG2-CG 4.45Å; V299-F331 HydrophobicContact CG1-CD1 3.83Å; V299-F331 HydrophobicContact CG1-CE1 3.92Å; V299-F331 HydrophobicContact CG2-CD1 4.22Å; V299-F331 HydrophobicContact CG2-CE1 4.04Å; V299-R334 HydrophobicContact CB-CG 4.4Å; V299-R334 HydrophobicContact CG1-CG 3.82Å
300	V	98.1	Very high	89.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	170.4	174.8	0	0	0	0	108.5	L279 G280 V298 Y310 A311 A312 F490 A491 A494 F542	L279-V300 CarbonylContact C-O 3.45Å; L279-V300 VanDerWaalsContact CA-O 3.23Å; L279-V300 WeakPolarHBondContact CA-O 3.39Å; G280-V300 PolarHBondContact N-O 3.23Å; G280-V300 PolarHBondContact O-N 2.92Å; V298-V300 HydrophobicContact CG1-CG2 4.11Å; V300-Y310 HydrophobicContact CG1-CD1 3.69Å; V300-Y310 HydrophobicContact CG1-CG 4.12Å; V300-A311 WeakPolarHBondContact CA-O 3.39Å; V300-A312 HydrophobicContact CG2-CB 3.85Å; V300-F490 HydrophobicContact CB-CB 4.37Å; V300-F490 HydrophobicContact CG1-CB 3.77Å; V300-F490 HydrophobicContact CG1-CD2 4.41Å; V300-F490 HydrophobicContact CG2-CB 4.23Å; V300-A491 HydrophobicContact CG2-CB 4.18Å; V300-A494 HydrophobicContact CG2-CB 4.43Å; V300-F542 HydrophobicContact CG1-CZ 4.48Å
301	G	98.3	Very high	90.7	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	147.4	175.5	0	0	0	0	0	111.1	V278 Y310 A311	V278-G301 WeakPolarHBondContact O-CA 3.41Å; G301-Y310 WeakPolarHBondContact O-CA 3.39Å; G301-A311 PolarHBondContact N-O 3.33Å; G301-A311 VanDerWaalsContact N-O 3.1Å; G301-A311 PolarHBondContact O-N 3.1Å
302	N	98	Very high	92.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.4	171	57.5	-60.9	0	0	0	110.2	T276 L277 V278 D304 E309 Y310	T276-N302 PolarHBondContact O-ND2 3.45Å; L277-N302 WeakPolarHBondContact CD1-O 3.39Å; V278-N302 WeakPolarHBondContact CA-OD1 3.47Å; V278-N302 PolarHBondContact N-OD1 3.02Å; V278-N302 PolarHBondContact O-N 3Å; V278-N302 PolarHBondContact O-OD1 2.92Å; N302-D304 PolarHBondContact ND2-O 2.7Å; N302-E309 CarbonylContact C-O 3.58Å; N302-E309 WeakPolarHBondContact CA-O 3.39Å; N302-Y310 HydrophobicContact CB-CD1 4.03Å; N302-Y310 HydrophobicContact CB-CE1 3.72Å; N302-Y310 HydrophobicContact CB-CE2 4.36Å; N302-Y310 HydrophobicContact CB-CG 4.47Å; N302-Y310 VanDerWaalsContact N-CD1 3.25Å
303	V	96.9	Very high	93.4	Very high	21 Å²	21	12 Å²	12	13%	0.127	6%	0.06	C	C	.	.	S	Bend	trans	-94.5	-37.4	177.1	-179.9	0	0	0	0	109.8	E309 A311 A341 N342	V303-E309 PolarHBondContact N-O 2.96Å; V303-A311 HydrophobicContact CG2-CB 3.99Å; V303-A341 HydrophobicContact CG1-CB 3.46Å; V303-A341 VanDerWaalsContact CG1-CB 3.46Å; V303-N342 PolarHBondContact O-ND2 3.33Å
304	D	94.8	Very high	94.1	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.053	7%	0.066	C	C	.	.	S	Bend	trans	-96.9	159.6	-179.2	75.1	-48.9	0	0	0	112.8	N302 Y306 C307 A308 E309	N302-D304 PolarHBondContact ND2-O 2.7Å; D304-Y306 PolarHBondContact O-N 3.02Å; D304-Y306 WeakPolarHBondContact OD2-CA 3.38Å; D304-Y306 WeakPolarHBondContact OD2-CB 3.47Å; D304-Y306 WeakPolarHBondContact OD2-CD2 3.32Å; D304-Y306 PolarHBondContact OD2-N 2.88Å; D304-Y306 VanDerWaalsContact OD2-N 3.14Å; D304-C307 PolarHBondContact O-N 2.91Å; D304-C307 PolarHBondContact OD1-N 2.93Å; D304-A308 PolarHBondContact OD1-N 2.95Å; D304-A308 WeakPolarHBondContact OD2-CB 3.46Å; D304-A308 PolarHBondContact OD2-N 3Å; D304-E309 PolarHBondContact OD1-N 3.42Å
305	V	94.7	Very high	94.3	Very high	11 Å²	11	16.1 Å²	16.1	7%	0.067	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.6	176.2	-68.5	0	0	0	0	114.4	T272 D275 F338 N342	T272-V305 HydrophobicContact CG2-CB 4.39Å; T272-V305 HydrophobicContact CG2-CG2 4.35Å; D275-V305 WeakPolarHBondContact OD1-CG1 3.4Å; V305-F338 HydrophobicContact CG1-CE2 4.3Å; V305-F338 HydrophobicContact CG1-CZ 3.75Å; V305-N342 HydrophobicContact CG1-CB 4.28Å; V305-N342 WeakPolarHBondContact CG1-OD1 3.45Å
306	Y	94	Very high	94.3	Very high	107 Å²	107	17 Å²	17	42%	0.42	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3.9	-179.2	-46.3	-80.5	0	0	0	113.4	R260 T272 D304 A308	R260-Y306 VanDerWaalsContact NH1-CD2 3.32Å; R260-Y306 VanDerWaalsContact NH1-CE2 3.28Å; T272-Y306 HydrophobicContact CG2-CD1 4.29Å; T272-Y306 HydrophobicContact CG2-CE1 4.22Å; D304-Y306 PolarHBondContact O-N 3.02Å; D304-Y306 WeakPolarHBondContact OD2-CA 3.38Å; D304-Y306 WeakPolarHBondContact OD2-CB 3.47Å; D304-Y306 WeakPolarHBondContact OD2-CD2 3.32Å; D304-Y306 PolarHBondContact OD2-N 2.88Å; D304-Y306 VanDerWaalsContact OD2-N 3.14Å; Y306-A308 PolarHBondContact O-N 3.5Å
307	C	94.3	Very high	93.8	Very high	1 Å²	1	17 Å²	17	1%	0.007	8%	0.08	C	C	.	.	S	Bend	trans	57	35.1	-178.4	-58.3	0	0	0	0	112.6	D304 Y310 L471 I474	D304-C307 PolarHBondContact O-N 2.91Å; D304-C307 PolarHBondContact OD1-N 2.93Å; C307-Y310 WeakPolarHBondContact O-CE2 3.36Å; C307-Y310 PolarHBondContact O-OH 2.92Å; C307-L471 HydrophobicContact CB-CD2 4.36Å; C307-I474 HydrophobicContact CB-CD1 4.12Å; C307-I474 WeakPolarHBondContact O-CD1 3.38Å
308	A	93	Very high	92.7	Very high	12 Å²	12	19.7 Å²	19.7	10%	0.099	10%	0.098	C	C	.	.			trans	-103.8	-32.3	-175	0	0	0	0	0	113	V257 R260 D304 Y306	V257-A308 HydrophobicContact CB-CB 4.5Å; V257-A308 HydrophobicContact CG1-CB 3.65Å; V257-A308 HydrophobicContact CG2-CB 4.02Å; R260-A308 HydrophobicContact CG-CB 4.24Å; D304-A308 PolarHBondContact OD1-N 2.95Å; D304-A308 WeakPolarHBondContact OD2-CB 3.46Å; D304-A308 PolarHBondContact OD2-N 3Å; Y306-A308 PolarHBondContact O-N 3.5Å
309	E	95.4	Very high	91.6	Very high	56 Å²	56	26.4 Å²	26.4	26%	0.262	13%	0.127	S	C	.	.			trans	-113.4	134.2	-177.7	-61.2	-178.9	134.7	0	0	109.2	V257 N302 V303 D304	V257-E309 HydrophobicContact CG2-CG 3.89Å; N302-E309 CarbonylContact C-O 3.58Å; N302-E309 WeakPolarHBondContact CA-O 3.39Å; V303-E309 PolarHBondContact N-O 2.96Å; D304-E309 PolarHBondContact OD1-N 3.42Å
310	Y	97.8	Very high	90	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.8	-178.6	-68.6	-102.7	0	0	0	111.1	V300 G301 N302 C307 I474 P487 F490 M540	V300-Y310 HydrophobicContact CG1-CD1 3.69Å; V300-Y310 HydrophobicContact CG1-CG 4.12Å; G301-Y310 WeakPolarHBondContact O-CA 3.39Å; N302-Y310 HydrophobicContact CB-CD1 4.03Å; N302-Y310 HydrophobicContact CB-CE1 3.72Å; N302-Y310 HydrophobicContact CB-CE2 4.36Å; N302-Y310 HydrophobicContact CB-CG 4.47Å; N302-Y310 VanDerWaalsContact N-CD1 3.25Å; C307-Y310 WeakPolarHBondContact O-CE2 3.36Å; C307-Y310 PolarHBondContact O-OH 2.92Å; Y310-I474 HydrophobicContact CE2-CD1 4.26Å; Y310-I474 VanDerWaalsContact OH-CD1 3.3Å; Y310-I474 WeakPolarHBondContact OH-CD1 3.47Å; Y310-P487 HydrophobicContact CE1-CB 4.04Å; Y310-P487 HydrophobicContact CE1-CG 3.74Å; Y310-F490 HydrophobicContact CD1-CD2 4.06Å; Y310-F490 HydrophobicContact CD1-CE2 4.47Å; Y310-F490 AromaticContact CD2-CD2 3.78Å; Y310-F490 HydrophobicContact CD2-CD2 3.78Å; Y310-F490 AromaticContact CD2-CE2 3.41Å; Y310-F490 HydrophobicContact CD2-CE2 3.41Å; Y310-F490 VanDerWaalsContact CD2-CE2 3.41Å; Y310-F490 HydrophobicContact CE1-CD2 4.48Å; Y310-F490 HydrophobicContact CE2-CD2 4.21Å; Y310-F490 AromaticContact CE2-CE2 3.67Å; Y310-F490 HydrophobicContact CE2-CE2 3.67Å; Y310-F490 AromaticContact CG-CD2 3.7Å; Y310-F490 HydrophobicContact CG-CD2 3.7Å; Y310-F490 AromaticContact CG-CE2 3.86Å; Y310-F490 HydrophobicContact CG-CE2 3.86Å; Y310-M540 HydrophobicContact CD2-CE 4.28Å; Y310-M540 WeakPolarHBondContact O-CG 3.35Å
311	A	97.5	Very high	88.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.7	169.2	0	0	0	0	0	110.6	V300 G301 V303 R334	V300-A311 WeakPolarHBondContact CA-O 3.39Å; G301-A311 PolarHBondContact N-O 3.33Å; G301-A311 VanDerWaalsContact N-O 3.1Å; G301-A311 PolarHBondContact O-N 3.1Å; V303-A311 HydrophobicContact CG2-CB 3.99Å; A311-R334 WeakPolarHBondContact O-CD 3.28Å; A311-R334 PolarHBondContact O-NH1 2.66Å; A311-R334 VanDerWaalsContact O-NH1 3.14Å
312	A	97.1	Very high	86.2	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.033	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	-172.9	0	0	0	0	0	111.6	V299 V300 R334 A494 F542	V299-A312 CarbonylContact O-C 3.43Å; V299-A312 WeakPolarHBondContact O-CA 3.2Å; V300-A312 HydrophobicContact CG2-CB 3.85Å; A312-R334 PolarHBondContact O-NH2 3.15Å; A312-A494 HydrophobicContact CB-CB 3.9Å; A312-F542 HydrophobicContact CB-CD1 3.76Å; A312-F542 HydrophobicContact CB-CE1 3.65Å
313	S	94.9	Very high	84.4	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.3	162.4	-66.3	0	0	0	0	108.3	V298 V299 E333 R334	V298-S313 WeakPolarHBondContact CA-O 3.48Å; V299-S313 PolarHBondContact N-O 3.16Å; V299-S313 PolarHBondContact O-N 3.42Å; S313-E333 WeakPolarHBondContact CB-OE2 3.41Å; S313-E333 WeakPolarHBondContact OG-CB 3.29Å; S313-E333 PolarHBondContact OG-OE2 3.4Å; S313-R334 VanDerWaalsContact OG-CZ 3.22Å; S313-R334 PolarHBondContact OG-NE 2.84Å; S313-R334 PolarHBondContact OG-NH2 3.47Å
314	M	91.8	Very high	82.6	Confident	29 Å²	29	37.6 Å²	37.6	14%	0.143	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.8	-173.4	-52.4	179.9	-70.3	0	0	110.1	V296 G297 V298 A494 I530 V532 Y541	V296-M314 HydrophobicContact CG1-CB 4.31Å; G297-M314 WeakPolarHBondContact O-CA 3.44Å; V298-M314 HydrophobicContact CG1-CG 4.33Å; V298-M314 HydrophobicContact CG2-CB 4.31Å; V298-M314 HydrophobicContact CG2-CG 3.9Å; M314-A494 HydrophobicContact SD-CB 4.43Å; M314-I530 HydrophobicContact CB-CD1 4.22Å; M314-I530 WeakPolarHBondContact CE-O 3.42Å; M314-V532 HydrophobicContact CE-CG1 4.07Å; M314-Y541 WeakPolarHBondContact CE-OH 3.47Å; M314-Y541 PolarHBondContact SD-OH 3.27Å; M314-Y541 VanDerWaalsContact SD-OH 3.33Å
315	R	88	Confident	80.9	Confident	72 Å²	72	41 Å²	41	27%	0.272	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	142.9	178.8	-164	170.6	-173.9	157.4	11.4	112.5	V296 G297 Y326 D329 E330	V296-R315 CarbonylContact C-O 3.57Å; V296-R315 WeakPolarHBondContact CA-O 3.49Å; G297-R315 PolarHBondContact N-O 2.73Å; G297-R315 PolarHBondContact O-N 2.84Å; R315-Y326 PolarHBondContact NH1-O 3.39Å; R315-D329 IonicContact CZ-OD2 3.88Å; R315-D329 IonicContact NH1-OD2 3.93Å; R315-D329 PolarHBondContact NH1-OD2 3.01Å; R315-D329 IonicContact NH2-OD2 3.1Å; R315-E330 HydrophobicContact CB-CG 4.32Å; R315-E330 WeakPolarHBondContact CB-OE1 3.18Å; R315-E330 VanDerWaalsContact CD-OE1 3.28Å; R315-E330 WeakPolarHBondContact CD-OE1 3.13Å; R315-E330 IonicContact NH1-OE2 3.82Å
316	T	85.3	Confident	79.6	Confident	19 Å²	19	46 Å²	46	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	144.8	170.5	57	0	0	0	0	110.1	P294 F526 T527 I530	P294-T316 HydrophobicContact CG-CG2 4.31Å; T316-F526 HydrophobicContact CG2-CB 3.94Å; T316-T527 PolarHBondContact OG1-OG1 2.93Å; T316-I530 HydrophobicContact CG2-CD1 3.68Å; T316-I530 HydrophobicContact CG2-CG1 4.29Å
317	Q	77.7	Confident	79.1	Confident	7 Å²	7	40.9 Å²	40.9	3%	0.033	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.6	176.4	66.7	171.4	35	0	0	111.2	P294 S295 L321 V324	P294-Q317 VanDerWaalsContact CB-O 3.26Å; P294-Q317 WeakPolarHBondContact CB-O 3.38Å; S295-Q317 PolarHBondContact N-O 3.46Å; S295-Q317 VanDerWaalsContact N-O 3.16Å; S295-Q317 WeakPolarHBondContact O-CG 3.31Å; S295-Q317 PolarHBondContact O-N 3.47Å; Q317-L321 PolarHBondContact NE2-O 3.04Å; Q317-V324 VanDerWaalsContact OE1-CA 3.25Å
318	P	69.4	Low	79	Confident	58 Å²	58	44.6 Å²	44.6	38%	0.377	21%	0.206	S	C	.	.	S	Bend	trans	-56.6	149.5	175.4	-19.1	30.5	0	0	0	111.6	L321	P318-L321 HydrophobicContact CB-CD1 3.9Å; P318-L321 HydrophobicContact CG-CD1 4.47Å
319	K	69.5	Low	78.9	Confident	141 Å²	141	47.2 Å²	47.2	61%	0.613	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	140.1	-170.2	64.6	-173.5	-179.6	-177.4	0	113.9	L321	K319-L321 PolarHBondContact O-N 3.36Å
320	R	64.8	Low	78.9	Confident	146 Å²	146	45 Å²	45	55%	0.551	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	29.6	164.6	-57.2	-175.1	-177.1	-175.7	1.3	115.1	V288 S295	V288-R320 PolarHBondContact O-NH2 3.25Å; S295-R320 PolarHBondContact OG-N 3.12Å; S295-R320 VanDerWaalsContact OG-N 3.12Å
321	L	59.5	Low	78.8	Confident	57 Å²	57	44.9 Å²	44.9	30%	0.298	21%	0.207	S	C	.	.			trans	-94.9	123.2	168.9	-82.4	149.5	0	0	0	109.1	Q317 P318 K319 L325	Q317-L321 PolarHBondContact NE2-O 3.04Å; P318-L321 HydrophobicContact CB-CD1 3.9Å; P318-L321 HydrophobicContact CG-CD1 4.47Å; K319-L321 PolarHBondContact O-N 3.36Å; L321-L325 HydrophobicContact CD1-CD1 4Å
322	E	56.6	Low	78.7	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.22	22%	0.215	C	C	.	.	S	Bend	trans	-76.3	-29.5	174.7	-76.8	-70.4	176.9	0	0	112	H285 V324 R353 E360 V364	H285-E322 IonicContact CD2-OE1 3.74Å; H285-E322 IonicContact NE2-OE1 2.7Å; H285-E322 PolarHBondContact NE2-OE1 3.41Å; H285-E322 VanDerWaalsContact NE2-OE1 3.1Å; H285-E322 IonicContact NE2-OE2 3.17Å; E322-V324 PolarHBondContact O-N 3.1Å; E322-R353 PolarHBondContact O-NH2 2.74Å; E322-R353 IonicContact OE2-NH2 3.57Å; E322-R353 PolarHBondContact OE2-NH2 2.84Å; E322-R353 VanDerWaalsContact OE2-NH2 3.17Å; E322-E360 WeakPolarHBondContact CG-OE1 3.4Å; E322-V364 HydrophobicContact CB-CG2 4.46Å
323	S	59	Low	78.7	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	23%	0.226	C	C	.	.	S	Bend	trans	-77.5	117.1	171.4	61.7	0	0	0	0	110	L325	S323-L325 PolarHBondContact O-N 3.01Å; S323-L325 VanDerWaalsContact O-N 3.09Å
324	V	58.9	Low	78.8	Confident	2 Å²	2	49 Å²	49	1%	0.012	23%	0.226	C	C	.	.			trans	-78	100.8	176.6	-172.5	0	0	0	0	109.8	V283 Q317 E322 Y326 L327	V283-V324 HydrophobicContact CG2-CG2 3.22Å; Q317-V324 VanDerWaalsContact OE1-CA 3.25Å; E322-V324 PolarHBondContact O-N 3.1Å; V324-Y326 PolarHBondContact O-N 3.05Å; V324-L327 HydrophobicContact CB-CD1 3.65Å; V324-L327 HydrophobicContact CB-CD2 3.9Å; V324-L327 HydrophobicContact CB-CG 3.44Å; V324-L327 VanDerWaalsContact CB-CG 3.44Å; V324-L327 HydrophobicContact CG1-CB 4.44Å; V324-L327 HydrophobicContact CG1-CD1 4.05Å; V324-L327 HydrophobicContact CG1-CD2 3.3Å; V324-L327 HydrophobicContact CG1-CG 3.29Å; V324-L327 HydrophobicContact CG2-CD1 4.05Å; V324-L327 HydrophobicContact CG2-CD2 4.37Å; V324-L327 HydrophobicContact CG2-CG 4.22Å
325	L	59.9	Low	79.1	Confident	82 Å²	82	47.6 Å²	47.6	43%	0.429	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19	-174.7	-71.8	168	0	0	0	114.1	L321 S323	L321-L325 HydrophobicContact CD1-CD1 4Å; S323-L325 PolarHBondContact O-N 3.01Å; S323-L325 VanDerWaalsContact O-N 3.09Å
326	Y	68.1	Low	79.6	Confident	116 Å²	116	48 Å²	48	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	24.3	-165.6	-57.3	-65.6	0	0	0	115.3	R315 V324 K328	R315-Y326 PolarHBondContact NH1-O 3.39Å; V324-Y326 PolarHBondContact O-N 3.05Å; Y326-K328 PolarHBondContact O-N 2.95Å
327	L	83.5	Confident	80.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-5.6	-177.3	-70.6	-178.8	0	0	0	116.5	V281 V299 V324 D329 E330 F331 E368	V281-L327 HydrophobicContact CG1-CD1 3.98Å; V299-L327 HydrophobicContact CG2-CD1 4.3Å; V299-L327 HydrophobicContact CG2-CD2 3.53Å; V299-L327 HydrophobicContact CG2-CG 4.37Å; V324-L327 HydrophobicContact CB-CD1 3.65Å; V324-L327 HydrophobicContact CB-CD2 3.9Å; V324-L327 HydrophobicContact CB-CG 3.44Å; V324-L327 VanDerWaalsContact CB-CG 3.44Å; V324-L327 HydrophobicContact CG1-CB 4.44Å; V324-L327 HydrophobicContact CG1-CD1 4.05Å; V324-L327 HydrophobicContact CG1-CD2 3.3Å; V324-L327 HydrophobicContact CG1-CG 3.29Å; V324-L327 HydrophobicContact CG2-CD1 4.05Å; V324-L327 HydrophobicContact CG2-CD2 4.37Å; V324-L327 HydrophobicContact CG2-CG 4.22Å; L327-D329 PolarHBondContact O-N 2.99Å; L327-E330 VanDerWaalsContact CA-OE2 3.31Å; L327-E330 WeakPolarHBondContact CA-OE2 3.31Å; L327-E330 HydrophobicContact CD2-CB 4.22Å; L327-E330 HydrophobicContact CD2-CG 4.29Å; L327-E330 PolarHBondContact O-N 2.89Å; L327-F331 HydrophobicContact CB-CD2 3.66Å; L327-F331 HydrophobicContact CB-CE2 3.39Å; L327-F331 HydrophobicContact CB-CG 4.45Å; L327-F331 HydrophobicContact CB-CZ 3.99Å; L327-F331 HydrophobicContact CD1-CE1 4.44Å; L327-F331 HydrophobicContact CD1-CE2 3.83Å; L327-F331 HydrophobicContact CD1-CZ 3.62Å; L327-F331 HydrophobicContact CG-CE2 4.23Å; L327-F331 HydrophobicContact CG-CZ 4.4Å; L327-F331 WeakPolarHBondContact O-CB 3.27Å; L327-F331 WeakPolarHBondContact O-CD2 3.26Å; L327-F331 WeakPolarHBondContact O-CG 3.5Å; L327-F331 PolarHBondContact O-N 3.25Å; L327-E368 HydrophobicContact CD1-CG 4.15Å
328	K	91.9	Very high	81.1	Confident	78 Å²	78	47.3 Å²	47.3	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-54.8	-44.8	-175.6	-179.3	-172.6	168.9	-174.9	0	110.9	Y326 L332 A371 S374 A375	Y326-K328 PolarHBondContact O-N 2.95Å; K328-L332 VanDerWaalsContact O-CB 3.29Å; K328-L332 WeakPolarHBondContact O-CB 3.45Å; K328-L332 PolarHBondContact O-N 3.46Å; K328-A371 HydrophobicContact CB-CB 4.49Å; K328-S374 WeakPolarHBondContact CE-OG 3.39Å; K328-A375 HydrophobicContact CG-CB 4.14Å; K328-A375 WeakPolarHBondContact O-CB 3.3Å
329	D	91.4	Very high	82.4	Confident	67 Å²	67	45.4 Å²	45.4	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-72	-40.2	-176.7	-59	-28.8	0	0	0	110.7	R315 L327 F331 L332 E333	R315-D329 IonicContact CZ-OD2 3.88Å; R315-D329 IonicContact NH1-OD2 3.93Å; R315-D329 PolarHBondContact NH1-OD2 3.01Å; R315-D329 IonicContact NH2-OD2 3.1Å; L327-D329 PolarHBondContact O-N 2.99Å; D329-F331 PolarHBondContact O-N 3.28Å; D329-L332 WeakPolarHBondContact O-CB 3.42Å; D329-L332 PolarHBondContact O-N 3.45Å; D329-E333 WeakPolarHBondContact O-CB 3.29Å; D329-E333 VanDerWaalsContact O-CG 3.3Å; D329-E333 WeakPolarHBondContact O-CG 3.43Å; D329-E333 PolarHBondContact O-N 3.06Å
330	E	94	Very high	83.7	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-42.3	177.6	-68.5	57.9	-133.7	0	0	111.5	V299 R315 L327 E333 R334	V299-E330 HydrophobicContact CB-CB 4.06Å; V299-E330 HydrophobicContact CG2-CB 3.65Å; V299-E330 HydrophobicContact CG2-CG 4.45Å; R315-E330 HydrophobicContact CB-CG 4.32Å; R315-E330 WeakPolarHBondContact CB-OE1 3.18Å; R315-E330 VanDerWaalsContact CD-OE1 3.28Å; R315-E330 WeakPolarHBondContact CD-OE1 3.13Å; R315-E330 IonicContact NH1-OE2 3.82Å; L327-E330 VanDerWaalsContact CA-OE2 3.31Å; L327-E330 WeakPolarHBondContact CA-OE2 3.31Å; L327-E330 HydrophobicContact CD2-CB 4.22Å; L327-E330 HydrophobicContact CD2-CG 4.29Å; L327-E330 PolarHBondContact O-N 2.89Å; E330-E333 PolarHBondContact O-N 3.26Å; E330-R334 WeakPolarHBondContact O-CG 3.35Å; E330-R334 PolarHBondContact O-N 3.45Å; E330-R334 VanDerWaalsContact O-N 3.11Å
331	F	96.7	Very high	85.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-44.3	172.6	-70.7	-45.1	0	0	0	111.2	L279 V281 V299 L327 D329 E333 R334 I335 L351 A371 L372 A375	L279-F331 HydrophobicContact CD1-CD1 3.8Å; L279-F331 HydrophobicContact CD1-CE1 3.96Å; V281-F331 HydrophobicContact CG2-CE1 4.06Å; V281-F331 HydrophobicContact CG2-CZ 4.4Å; V299-F331 HydrophobicContact CG1-CD1 3.83Å; V299-F331 HydrophobicContact CG1-CE1 3.92Å; V299-F331 HydrophobicContact CG2-CD1 4.22Å; V299-F331 HydrophobicContact CG2-CE1 4.04Å; L327-F331 HydrophobicContact CB-CD2 3.66Å; L327-F331 HydrophobicContact CB-CE2 3.39Å; L327-F331 HydrophobicContact CB-CG 4.45Å; L327-F331 HydrophobicContact CB-CZ 3.99Å; L327-F331 HydrophobicContact CD1-CE1 4.44Å; L327-F331 HydrophobicContact CD1-CE2 3.83Å; L327-F331 HydrophobicContact CD1-CZ 3.62Å; L327-F331 HydrophobicContact CG-CE2 4.23Å; L327-F331 HydrophobicContact CG-CZ 4.4Å; L327-F331 WeakPolarHBondContact O-CB 3.27Å; L327-F331 WeakPolarHBondContact O-CD2 3.26Å; L327-F331 WeakPolarHBondContact O-CG 3.5Å; L327-F331 PolarHBondContact O-N 3.25Å; D329-F331 PolarHBondContact O-N 3.28Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 2.82Å; F331-R334 PolarHBondContact O-N 3.47Å; F331-I335 WeakPolarHBondContact O-CD1 3.48Å; F331-I335 VanDerWaalsContact O-CG1 3.24Å; F331-I335 WeakPolarHBondContact O-CG1 3.48Å; F331-I335 PolarHBondContact O-N 2.88Å; F331-L351 HydrophobicContact CE1-CD1 3.71Å; F331-L351 HydrophobicContact CZ-CD1 3.72Å; F331-A371 HydrophobicContact CD2-CB 4.31Å; F331-A371 HydrophobicContact CE2-CB 4.24Å; F331-L372 HydrophobicContact CB-CD1 3.89Å; F331-L372 HydrophobicContact CD1-CD1 3.93Å; F331-L372 HydrophobicContact CD2-CB 3.79Å; F331-L372 HydrophobicContact CD2-CD1 4.16Å; F331-L372 HydrophobicContact CE2-CB 3.84Å; F331-L372 HydrophobicContact CG-CB 4.27Å; F331-L372 HydrophobicContact CG-CD1 3.75Å; F331-L372 HydrophobicContact CZ-CB 4.37Å; F331-A375 HydrophobicContact CB-CB 3.9Å
332	L	96	Very high	87	Confident	30 Å²	30	39.1 Å²	39.1	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-45.3	178	-175.7	62	0	0	0	111.3	K328 D329 R334 I335 M336 A375 L379	K328-L332 VanDerWaalsContact O-CB 3.29Å; K328-L332 WeakPolarHBondContact O-CB 3.45Å; K328-L332 PolarHBondContact O-N 3.46Å; D329-L332 WeakPolarHBondContact O-CB 3.42Å; D329-L332 PolarHBondContact O-N 3.45Å; L332-R334 VanDerWaalsContact C-N 3.35Å; L332-R334 PolarHBondContact O-N 3.46Å; L332-I335 PolarHBondContact O-N 3.21Å; L332-M336 HydrophobicContact CD1-CE 3.85Å; L332-M336 HydrophobicContact CD1-CG 4.4Å; L332-M336 HydrophobicContact CD2-CE 4.06Å; L332-M336 HydrophobicContact CG-CE 3.86Å; L332-M336 HydrophobicContact CG-CG 4.49Å; L332-M336 HydrophobicContact CG-SD 4.26Å; L332-M336 WeakPolarHBondContact O-CB 3.25Å; L332-M336 WeakPolarHBondContact O-CG 3.43Å; L332-M336 PolarHBondContact O-N 3.24Å; L332-A375 HydrophobicContact CB-CB 4.16Å; L332-L379 HydrophobicContact CD1-CD1 3.94Å; L332-L379 HydrophobicContact CD1-CD2 3.55Å; L332-L379 HydrophobicContact CD1-CG 3.5Å
333	E	95.8	Very high	88.8	Confident	58 Å²	58	44.3 Å²	44.3	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-43.1	176.6	-75.2	179.7	-168.6	0	0	112.4	S313 D329 E330 F331 A337 R537	S313-E333 WeakPolarHBondContact CB-OE2 3.41Å; S313-E333 WeakPolarHBondContact OG-CB 3.29Å; S313-E333 PolarHBondContact OG-OE2 3.4Å; D329-E333 WeakPolarHBondContact O-CB 3.29Å; D329-E333 VanDerWaalsContact O-CG 3.3Å; D329-E333 WeakPolarHBondContact O-CG 3.43Å; D329-E333 PolarHBondContact O-N 3.06Å; E330-E333 PolarHBondContact O-N 3.26Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 2.82Å; E333-A337 VanDerWaalsContact O-CB 3.32Å; E333-A337 WeakPolarHBondContact O-CB 3.25Å; E333-A337 PolarHBondContact O-N 2.89Å; E333-R537 IonicContact OE1-NH2 3.06Å; E333-R537 PolarHBondContact OE1-NH2 2.89Å; E333-R537 IonicContact OE2-CZ 3.54Å; E333-R537 IonicContact OE2-NE 2.76Å; E333-R537 IonicContact OE2-NH2 3.57Å; E333-R537 PolarHBondContact OE2-NH2 3.02Å
334	R	97.5	Very high	90.5	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-42.1	177.3	-64.9	-49.9	90.9	-163.4	6.1	112	L279 V299 A311 A312 S313 E330 F331 L332 M336 A337 F338	L279-R334 HydrophobicContact CD2-CB 3.96Å; L279-R334 HydrophobicContact CD2-CG 4.21Å; V299-R334 HydrophobicContact CB-CG 4.4Å; V299-R334 HydrophobicContact CG1-CG 3.82Å; A311-R334 WeakPolarHBondContact O-CD 3.28Å; A311-R334 PolarHBondContact O-NH1 2.66Å; A311-R334 VanDerWaalsContact O-NH1 3.14Å; A312-R334 PolarHBondContact O-NH2 3.15Å; S313-R334 VanDerWaalsContact OG-CZ 3.22Å; S313-R334 PolarHBondContact OG-NE 2.84Å; S313-R334 PolarHBondContact OG-NH2 3.47Å; E330-R334 WeakPolarHBondContact O-CG 3.35Å; E330-R334 PolarHBondContact O-N 3.45Å; E330-R334 VanDerWaalsContact O-N 3.11Å; F331-R334 PolarHBondContact O-N 3.47Å; L332-R334 VanDerWaalsContact C-N 3.35Å; L332-R334 PolarHBondContact O-N 3.46Å; R334-M336 VanDerWaalsContact C-N 3.34Å; R334-A337 PolarHBondContact O-N 2.95Å; R334-F338 PolarHBondContact O-N 2.85Å
335	I	98.2	Very high	92.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-44	176.4	-64.8	162.4	0	0	0	110.4	L277 F331 L332 F338 A339 P346 I349 L372 A375 L379 Y383	L277-I335 HydrophobicContact CD2-CB 4.44Å; L277-I335 HydrophobicContact CD2-CG1 3.73Å; F331-I335 WeakPolarHBondContact O-CD1 3.48Å; F331-I335 VanDerWaalsContact O-CG1 3.24Å; F331-I335 WeakPolarHBondContact O-CG1 3.48Å; F331-I335 PolarHBondContact O-N 2.88Å; L332-I335 PolarHBondContact O-N 3.21Å; I335-F338 PolarHBondContact O-N 3.16Å; I335-A339 WeakPolarHBondContact O-CB 3.38Å; I335-A339 PolarHBondContact O-N 3.19Å; I335-P346 HydrophobicContact CG2-CG 4.35Å; I335-I349 HydrophobicContact CD1-CD1 4.37Å; I335-I349 HydrophobicContact CG1-CD1 4.47Å; I335-L372 HydrophobicContact CD1-CD1 4.24Å; I335-A375 HydrophobicContact CD1-CB 4.32Å; I335-L379 HydrophobicContact CB-CD1 4.25Å; I335-L379 HydrophobicContact CG2-CD1 3.4Å; I335-Y383 HydrophobicContact CG2-CE1 4.24Å
336	M	97.4	Very high	94.2	Very high	81 Å²	81	50.5 Å²	50.5	40%	0.399	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-40.9	176.8	-74	-175.8	175.2	0	0	112.1	L332 R334 F338 A339 N340 L379	L332-M336 HydrophobicContact CD1-CE 3.85Å; L332-M336 HydrophobicContact CD1-CG 4.4Å; L332-M336 HydrophobicContact CD2-CE 4.06Å; L332-M336 HydrophobicContact CG-CE 3.86Å; L332-M336 HydrophobicContact CG-CG 4.49Å; L332-M336 HydrophobicContact CG-SD 4.26Å; L332-M336 WeakPolarHBondContact O-CB 3.25Å; L332-M336 WeakPolarHBondContact O-CG 3.43Å; L332-M336 PolarHBondContact O-N 3.24Å; R334-M336 VanDerWaalsContact C-N 3.34Å; M336-F338 VanDerWaalsContact C-N 3.35Å; M336-F338 PolarHBondContact O-N 3.16Å; M336-A339 PolarHBondContact O-N 3.38Å; M336-N340 VanDerWaalsContact O-CB 3.3Å; M336-N340 WeakPolarHBondContact O-CB 3.33Å; M336-N340 PolarHBondContact O-N 3.33Å; M336-N340 PolarHBondContact O-ND2 2.89Å; M336-L379 HydrophobicContact CE-CD2 3.43Å; M336-L379 VanDerWaalsContact CE-CD2 3.43Å; M336-L379 HydrophobicContact CG-CD2 4.03Å
337	A	97.1	Very high	95.6	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-46	176.9	0	0	0	0	0	111.5	E333 R334 A341 L538	E333-A337 VanDerWaalsContact O-CB 3.32Å; E333-A337 WeakPolarHBondContact O-CB 3.25Å; E333-A337 PolarHBondContact O-N 2.89Å; R334-A337 PolarHBondContact O-N 2.95Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.67Å; A337-A341 VanDerWaalsContact O-N 3.11Å; A337-L538 HydrophobicContact CB-CD2 4.04Å
338	F	98.1	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-46.4	173.5	-175.6	-79.2	0	0	0	111.6	D275 L277 V305 R334 I335 M336 N340 A341 N342 P346	D275-F338 HydrophobicContact CB-CE1 4.13Å; D275-F338 HydrophobicContact CB-CZ 4.08Å; L277-F338 HydrophobicContact CB-CD2 4.49Å; L277-F338 HydrophobicContact CD1-CB 4.26Å; L277-F338 HydrophobicContact CD1-CD2 4.18Å; V305-F338 HydrophobicContact CG1-CE2 4.3Å; V305-F338 HydrophobicContact CG1-CZ 3.75Å; R334-F338 PolarHBondContact O-N 2.85Å; I335-F338 PolarHBondContact O-N 3.16Å; M336-F338 VanDerWaalsContact C-N 3.35Å; M336-F338 PolarHBondContact O-N 3.16Å; F338-N340 PolarHBondContact O-N 3.42Å; F338-A341 PolarHBondContact O-N 2.95Å; F338-N342 HydrophobicContact CE1-CB 4.33Å; F338-N342 PolarHBondContact O-N 2.88Å; F338-N342 PolarHBondContact O-ND2 3.29Å; F338-P346 HydrophobicContact CB-CG 4.31Å; F338-P346 HydrophobicContact CD1-CB 4.41Å; F338-P346 HydrophobicContact CD1-CG 3.6Å; F338-P346 HydrophobicContact CE1-CB 4.4Å; F338-P346 HydrophobicContact CE1-CG 4.07Å; F338-P346 HydrophobicContact CG-CG 3.99Å
339	A	97.6	Very high	96.6	Very high	17 Å²	17	43.6 Å²	43.6	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-41.7	-177.9	0	0	0	0	0	112.8	I335 M336 N343 R344 R345	I335-A339 WeakPolarHBondContact O-CB 3.38Å; I335-A339 PolarHBondContact O-N 3.19Å; M336-A339 PolarHBondContact O-N 3.38Å; A339-N343 VanDerWaalsContact O-CA 3.23Å; A339-N343 WeakPolarHBondContact O-CA 3.35Å; A339-N343 PolarHBondContact O-N 3.16Å; A339-R344 WeakPolarHBondContact CA-O 3.31Å; A339-R344 PolarHBondContact O-N 2.91Å; A339-R345 HydrophobicContact CB-CG 4.2Å
340	N	96.8	Very high	97	Very high	124 Å²	124	40.4 Å²	40.4	66%	0.663	22%	0.218	S	C	*	.	H	α-helix	trans	-68.1	-37.6	178.6	-67.9	-16.1	0	0	0	111.8	M336 F338	M336-N340 VanDerWaalsContact O-CB 3.3Å; M336-N340 WeakPolarHBondContact O-CB 3.33Å; M336-N340 PolarHBondContact O-N 3.33Å; M336-N340 PolarHBondContact O-ND2 2.89Å; F338-N340 PolarHBondContact O-N 3.42Å
341	A	95.9	Very high	97.2	Very high	55 Å²	55	40 Å²	40	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-72.5	-32.9	179.5	0	0	0	0	0	113	V303 A337 F338	V303-A341 HydrophobicContact CG1-CB 3.46Å; V303-A341 VanDerWaalsContact CG1-CB 3.46Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.67Å; A337-A341 VanDerWaalsContact O-N 3.11Å; F338-A341 PolarHBondContact O-N 2.95Å
342	N	96.3	Very high	97.3	Very high	33 Å²	33	40 Å²	40	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-109.8	-0.7	-172.9	-55.4	-72.8	0	0	0	113.8	V303 V305 F338 R344	V303-N342 PolarHBondContact O-ND2 3.33Å; V305-N342 HydrophobicContact CG1-CB 4.28Å; V305-N342 WeakPolarHBondContact CG1-OD1 3.45Å; F338-N342 HydrophobicContact CE1-CB 4.33Å; F338-N342 PolarHBondContact O-N 2.88Å; F338-N342 PolarHBondContact O-ND2 3.29Å; N342-R344 HydrophobicContact CB-CG 4Å; N342-R344 WeakPolarHBondContact O-CG 3.12Å; N342-R344 PolarHBondContact O-N 3.48Å; N342-R344 VanDerWaalsContact O-N 3.12Å
343	N	95.7	Very high	97.3	Very high	156 Å²	156	38.6 Å²	38.6	83%	0.834	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	22.2	-171.9	-63.6	-58.6	0	0	0	114.4	A339	A339-N343 VanDerWaalsContact O-CA 3.23Å; A339-N343 WeakPolarHBondContact O-CA 3.35Å; A339-N343 PolarHBondContact O-N 3.16Å
344	R	94.9	Very high	97.2	Very high	118 Å²	118	36.8 Å²	36.8	45%	0.445	20%	0.201	S	C	.	.	S	Bend	trans	-153.7	140.3	-179.2	62.9	-159.2	-173.9	-177.9	11.2	110.5	D275 A339 N342	D275-R344 IonicContact OD1-CZ 3.63Å; D275-R344 IonicContact OD1-NE 3.91Å; D275-R344 PolarHBondContact OD1-NE 2.58Å; D275-R344 IonicContact OD1-NH2 3.03Å; D275-R344 PolarHBondContact OD1-NH2 2.81Å; D275-R344 VanDerWaalsContact OD2-CD 3.3Å; D275-R344 WeakPolarHBondContact OD2-CD 3.39Å; D275-R344 IonicContact OD2-CZ 3.81Å; D275-R344 IonicContact OD2-NE 2.85Å; D275-R344 PolarHBondContact OD2-NE 3.31Å; D275-R344 VanDerWaalsContact OD2-NE 3.1Å; D275-R344 IonicContact OD2-NH2 3.96Å; A339-R344 WeakPolarHBondContact CA-O 3.31Å; A339-R344 PolarHBondContact O-N 2.91Å; N342-R344 HydrophobicContact CB-CG 4Å; N342-R344 WeakPolarHBondContact O-CG 3.12Å; N342-R344 PolarHBondContact O-N 3.48Å; N342-R344 VanDerWaalsContact O-N 3.12Å
345	R	96.5	Very high	96.6	Very high	101 Å²	101	38.5 Å²	38.5	38%	0.381	22%	0.22	S	C	.	.			trans	-72	152.4	178.1	-65.8	174.3	-177	169.2	-5.5	109.8	A339 G347 L379 Y383	A339-R345 HydrophobicContact CB-CG 4.2Å; R345-G347 PolarHBondContact O-N 3.17Å; R345-L379 PolarHBondContact NH2-O 3.48Å; R345-L379 VanDerWaalsContact NH2-O 3.14Å; R345-Y383 HydrophobicContact CB-CE2 3.97Å
346	P	98.2	Very high	96.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.22	C	C	.	.			trans	-53.9	129.3	174.1	-23	30.3	0	0	0	112.1	D275 L277 I335 F338 Q348 I349 Y383	D275-P346 WeakPolarHBondContact O-CA 3.3Å; D275-P346 WeakPolarHBondContact O-CB 3.42Å; L277-P346 HydrophobicContact CB-CB 3.7Å; L277-P346 HydrophobicContact CB-CG 3.64Å; L277-P346 HydrophobicContact CD2-CG 3.84Å; L277-P346 HydrophobicContact CG-CG 4.35Å; I335-P346 HydrophobicContact CG2-CG 4.35Å; F338-P346 HydrophobicContact CB-CG 4.31Å; F338-P346 HydrophobicContact CD1-CB 4.41Å; F338-P346 HydrophobicContact CD1-CG 3.6Å; F338-P346 HydrophobicContact CE1-CB 4.4Å; F338-P346 HydrophobicContact CE1-CG 4.07Å; F338-P346 HydrophobicContact CG-CG 3.99Å; P346-Q348 VanDerWaalsContact C-N 3.31Å; P346-I349 HydrophobicContact CB-CG1 4.32Å; P346-Y383 WeakPolarHBondContact CD-OH 3.45Å; P346-Y383 WeakPolarHBondContact O-CE2 3.28Å; P346-Y383 PolarHBondContact O-OH 3.34Å
347	G	97.5	Very high	95.9	Very high	47 Å²	47	37.3 Å²	37.3	49%	0.485	22%	0.219	S	C	.	.	S	Bend	trans	-76.7	-26.5	170.8	0	0	0	0	0	111.8	R274 D275 R345	R274-G347 CarbonylContact O-C 3.54Å; R274-G347 VanDerWaalsContact O-CA 3.3Å; R274-G347 WeakPolarHBondContact O-CA 3.03Å; R274-G347 PolarHBondContact O-N 3.32Å; D275-G347 PolarHBondContact O-N 3Å; R345-G347 PolarHBondContact O-N 3.17Å
348	Q	98.4	Very high	95.6	Very high	2 Å²	2	42 Å²	42	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.8	-175	178.5	175.7	-89	0	0	110.4	N270 R274 T276 L277 P346 I350 N457	N270-Q348 PolarHBondContact O-NE2 3.44Å; R274-Q348 HydrophobicContact CB-CB 4.15Å; R274-Q348 PolarHBondContact O-N 2.91Å; T276-Q348 WeakPolarHBondContact CA-O 3.49Å; T276-Q348 HydrophobicContact CG2-CG 4.24Å; T276-Q348 PolarHBondContact OG1-NE2 3.32Å; L277-Q348 PolarHBondContact N-O 3.19Å; P346-Q348 VanDerWaalsContact C-N 3.31Å; Q348-I350 HydrophobicContact CG-CG1 4.4Å; Q348-N457 WeakPolarHBondContact CG-ND2 3.25Å; Q348-N457 WeakPolarHBondContact CG-OD1 3.48Å; Q348-N457 PolarHBondContact OE1-OD1 2.83Å
349	I	98.8	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.2	173.2	-54.2	-179	0	0	0	110	L277 L279 I335 P346 L372 P385 G386 I387 T388	L277-I349 HydrophobicContact CB-CG1 4.38Å; L277-I349 CarbonylContact O-C 3.58Å; L277-I349 VanDerWaalsContact O-CA 3.31Å; L277-I349 WeakPolarHBondContact O-CA 3.33Å; L279-I349 HydrophobicContact CD1-CG2 3.71Å; L279-I349 HydrophobicContact CG-CG2 4.17Å; I335-I349 HydrophobicContact CD1-CD1 4.37Å; I335-I349 HydrophobicContact CG1-CD1 4.47Å; P346-I349 HydrophobicContact CB-CG1 4.32Å; I349-L372 HydrophobicContact CD1-CD1 4.1Å; I349-L372 HydrophobicContact CG2-CD2 4.1Å; I349-P385 HydrophobicContact CD1-CB 4.43Å; I349-P385 HydrophobicContact CD1-CG 3.71Å; I349-P385 HydrophobicContact CG1-CB 4.25Å; I349-P385 HydrophobicContact CG1-CG 4.07Å; I349-G386 PolarHBondContact N-O 3.46Å; I349-I387 HydrophobicContact CB-CG1 4.29Å; I349-I387 WeakPolarHBondContact O-CA 3.37Å; I349-T388 PolarHBondContact O-N 3.02Å
350	I	98.8	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.7	172.3	-55.5	178.7	0	0	0	108	L271 T276 L277 V278 L279 Q348 F352 F459 M464 I467	L271-I350 HydrophobicContact CD2-CD1 4.09Å; T276-I350 HydrophobicContact CG2-CD1 3.81Å; T276-I350 HydrophobicContact CG2-CG1 3.85Å; L277-I350 PolarHBondContact O-N 3.36Å; V278-I350 CarbonylContact C-O 3.57Å; V278-I350 VanDerWaalsContact CA-O 3.32Å; V278-I350 WeakPolarHBondContact CA-O 3.39Å; L279-I350 PolarHBondContact N-O 3.27Å; Q348-I350 HydrophobicContact CG-CG1 4.4Å; I350-F352 HydrophobicContact CG2-CD2 4.18Å; I350-F352 HydrophobicContact CG2-CE2 3.59Å; I350-F352 HydrophobicContact CG2-CZ 3.99Å; I350-F459 HydrophobicContact CD1-CE2 3.76Å; I350-F459 HydrophobicContact CD1-CZ 3.86Å; I350-F459 HydrophobicContact CG1-CE2 4.04Å; I350-F459 HydrophobicContact CG1-CZ 4.47Å; I350-M464 HydrophobicContact CG2-CE 4.37Å; I350-I467 HydrophobicContact CD1-CD1 4.09Å; I350-I467 HydrophobicContact CD1-CG2 4.2Å
351	L	98.7	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.5	-178.3	-173.7	162	0	0	0	110.4	L279 V281 F331 R353 L372 T388 Y389 V390	L279-L351 HydrophobicContact CB-CB 4.3Å; L279-L351 HydrophobicContact CB-CG 4.18Å; L279-L351 HydrophobicContact CD1-CD1 4.4Å; V281-L351 HydrophobicContact CB-CD2 4.47Å; V281-L351 HydrophobicContact CG2-CD1 4.04Å; V281-L351 HydrophobicContact CG2-CD2 3.98Å; V281-L351 HydrophobicContact CG2-CG 3.92Å; F331-L351 HydrophobicContact CE1-CD1 3.71Å; F331-L351 HydrophobicContact CZ-CD1 3.72Å; L351-R353 HydrophobicContact CD2-CB 3.87Å; L351-L372 HydrophobicContact CD1-CD2 4.09Å; L351-T388 PolarHBondContact N-O 3.37Å; L351-Y389 HydrophobicContact CB-CD2 4.46Å; L351-Y389 HydrophobicContact CD1-CD2 4.11Å; L351-Y389 HydrophobicContact CD1-CE2 4.05Å; L351-Y389 HydrophobicContact CD2-CD2 3.76Å; L351-Y389 HydrophobicContact CD2-CE2 3.55Å; L351-Y389 HydrophobicContact CD2-CG 4.39Å; L351-Y389 HydrophobicContact CG-CD2 4.34Å; L351-Y389 HydrophobicContact CG-CE2 4.38Å; L351-V390 PolarHBondContact O-N 3.29Å
352	F	98.6	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.4	169.8	-66.2	-84.7	0	0	0	110.8	V278 L279 G280 V281 I350 V390 V392 Y450 M464 A468 L471 P485 V488	V278-F352 HydrophobicContact CG1-CD2 3.91Å; V278-F352 HydrophobicContact CG1-CE2 3.86Å; L279-F352 PolarHBondContact O-N 2.88Å; G280-F352 CarbonylContact C-O 3.56Å; G280-F352 WeakPolarHBondContact CA-O 3.34Å; V281-F352 PolarHBondContact N-O 2.92Å; I350-F352 HydrophobicContact CG2-CD2 4.18Å; I350-F352 HydrophobicContact CG2-CE2 3.59Å; I350-F352 HydrophobicContact CG2-CZ 3.99Å; F352-V390 CarbonylContact C-O 3.49Å; F352-V390 VanDerWaalsContact CA-O 3.3Å; F352-V390 WeakPolarHBondContact CA-O 3.38Å; F352-V390 HydrophobicContact CD1-CB 3.88Å; F352-V390 HydrophobicContact CD1-CG1 4.07Å; F352-V390 HydrophobicContact CE1-CB 4.11Å; F352-V390 HydrophobicContact CE1-CG1 4.13Å; F352-V390 HydrophobicContact CE1-CG2 4.35Å; F352-V392 HydrophobicContact CB-CG2 4.1Å; F352-V392 HydrophobicContact CD1-CG2 3.67Å; F352-V392 HydrophobicContact CG-CG2 4.36Å; F352-Y450 HydrophobicContact CD1-CD1 4.44Å; F352-Y450 HydrophobicContact CD1-CE1 4.39Å; F352-Y450 HydrophobicContact CE1-CD1 4.21Å; F352-Y450 HydrophobicContact CE1-CE1 4.18Å; F352-M464 HydrophobicContact CE1-CE 4.03Å; F352-M464 HydrophobicContact CZ-CE 3.65Å; F352-A468 HydrophobicContact CE1-CB 4.3Å; F352-A468 HydrophobicContact CZ-CB 4.46Å; F352-L471 HydrophobicContact CD2-CD1 4.4Å; F352-L471 HydrophobicContact CE2-CD1 3.44Å; F352-L471 VanDerWaalsContact CE2-CD1 3.44Å; F352-L471 HydrophobicContact CZ-CD1 3.9Å; F352-P485 HydrophobicContact CD1-CG 4.02Å; F352-P485 HydrophobicContact CE1-CG 3.99Å; F352-P485 HydrophobicContact CG-CG 4.34Å; F352-P485 HydrophobicContact CZ-CG 4.3Å; F352-V488 HydrophobicContact CB-CG2 3.34Å; F352-V488 HydrophobicContact CG-CG2 4.19Å
353	R	96.7	Very high	94.5	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120	179.1	177.5	67.1	173.8	89.8	4.9	110.4	V281 E322 L351 V356 E368 Y389 V390 V391 V392	V281-R353 VanDerWaalsContact CG1-CD 3.48Å; E322-R353 PolarHBondContact O-NH2 2.74Å; E322-R353 IonicContact OE2-NH2 3.57Å; E322-R353 PolarHBondContact OE2-NH2 2.84Å; E322-R353 VanDerWaalsContact OE2-NH2 3.17Å; L351-R353 HydrophobicContact CD2-CB 3.87Å; R353-V356 HydrophobicContact CG-CG2 3.52Å; R353-E368 WeakPolarHBondContact CD-OE2 3.5Å; R353-E368 IonicContact CZ-OE1 2.72Å; R353-E368 IonicContact NE-OE1 3.78Å; R353-E368 PolarHBondContact NE-OE1 3.17Å; R353-E368 IonicContact NE-OE2 2.84Å; R353-E368 IonicContact NH2-OE1 3.76Å; R353-Y389 HydrophobicContact CB-CE1 4.2Å; R353-Y389 WeakPolarHBondContact CG-OH 3.44Å; R353-V390 PolarHBondContact N-O 2.85Å; R353-V391 HydrophobicContact CB-CG2 4.47Å; R353-V391 CarbonylContact O-C 3.58Å; R353-V391 WeakPolarHBondContact O-CA 3.46Å; R353-V392 PolarHBondContact O-N 2.84Å
354	D	94	Very high	94.3	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.112	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	155.5	175.4	-165	56.1	0	0	0	111.9	V281 V356 V392 V488 H492	V281-D354 PolarHBondContact O-N 2.8Å; D354-V356 VanDerWaalsContact C-N 3.29Å; D354-V356 PolarHBondContact O-N 2.85Å; D354-V392 WeakPolarHBondContact CA-O 3.42Å; D354-V488 HydrophobicContact CB-CG1 3.65Å; D354-H492 VanDerWaalsContact CB-NE2 3.27Å; D354-H492 WeakPolarHBondContact CB-NE2 3.26Å; D354-H492 IonicContact OD1-CE1 3.84Å; D354-H492 IonicContact OD1-NE2 3.37Å; D354-H492 IonicContact OD2-CE1 3.34Å; D354-H492 PolarHBondContact OD2-CE1 2.92Å; D354-H492 IonicContact OD2-NE2 3.95Å; D354-H492 PolarHBondContact OD2-NE2 3.31Å
355	G	83.9	Confident	94.3	Very high	40 Å²	40	44.2 Å²	44.2	41%	0.412	25%	0.245	S	C	.	.	S	Bend	trans	77.3	-3.5	147	0	0	0	0	0	118.2	V392	G355-V392 PolarHBondContact N-O 3.36Å
356	V	90.7	Very high	94.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	27%	0.265	C	S	.	.			trans	-75.1	134.9	179	-175.3	0	0	0	0	110.5	R353 D354 E360 F361 V364 V391 Q393	R353-V356 HydrophobicContact CG-CG2 3.52Å; D354-V356 VanDerWaalsContact C-N 3.29Å; D354-V356 PolarHBondContact O-N 2.85Å; V356-E360 HydrophobicContact CG1-CB 3.79Å; V356-F361 HydrophobicContact CB-CD1 4.46Å; V356-F361 HydrophobicContact CB-CE1 4.44Å; V356-F361 HydrophobicContact CG1-CD1 3.87Å; V356-F361 HydrophobicContact CG1-CE1 4.28Å; V356-V364 HydrophobicContact CG1-CB 4.13Å; V356-V364 HydrophobicContact CG1-CG1 4.44Å; V356-V364 HydrophobicContact CG1-CG2 3.82Å; V356-V364 HydrophobicContact CG2-CG1 4.02Å; V356-V364 HydrophobicContact CG2-CG2 4.44Å; V356-V391 HydrophobicContact CB-CG1 4Å; V356-Q393 PolarHBondContact O-NE2 3.03Å
357	S	90.5	Very high	93.9	Very high	55 Å²	55	51.5 Å²	51.5	39%	0.385	28%	0.278	S	S	.	.			trans	-80.4	153.6	175.3	73.6	0	0	0	0	111.9	G359 E360 F361	S357-G359 PolarHBondContact O-N 3.45Å; S357-E360 WeakPolarHBondContact CB-OE2 3.46Å; S357-E360 PolarHBondContact N-OE2 3.3Å; S357-E360 PolarHBondContact O-N 3.16Å; S357-E360 VanDerWaalsContact OG-CD 3.27Å; S357-E360 WeakPolarHBondContact OG-CG 3.12Å; S357-E360 PolarHBondContact OG-OE2 3.38Å; S357-F361 WeakPolarHBondContact O-CD1 3.35Å; S357-F361 WeakPolarHBondContact O-CE1 3.38Å; S357-F361 PolarHBondContact O-N 3.29Å
358	E	91.1	Very high	93.8	Very high	110 Å²	110	49.3 Å²	49.3	51%	0.514	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.5	-35.6	-177.2	-66.4	-177.2	173.8	0	0	112.6	E360 F361 K449	E358-E360 PolarHBondContact O-N 2.94Å; E358-F361 HydrophobicContact CB-CD2 4.47Å; E358-F361 HydrophobicContact CB-CE2 4.17Å; E358-F361 HydrophobicContact CB-CZ 4.22Å; E358-F361 HydrophobicContact CG-CE1 4.36Å; E358-F361 HydrophobicContact CG-CE2 3.79Å; E358-F361 HydrophobicContact CG-CZ 3.68Å; E358-F361 WeakPolarHBondContact O-CG 3.25Å; E358-F361 PolarHBondContact O-N 2.89Å; E358-K449 IonicContact OE1-NZ 2.74Å; E358-K449 PolarHBondContact OE1-NZ 3.49Å
359	G	91.5	Very high	93.7	Very high	81 Å²	81	49.7 Å²	49.7	84%	0.835	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16.7	176.5	0	0	0	0	0	114.6	S357	S357-G359 PolarHBondContact O-N 3.45Å
360	E	91.2	Very high	93.5	Very high	62 Å²	62	51.4 Å²	51.4	29%	0.29	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-104.6	-9.7	-177.1	-66.1	169	131.5	0	0	113	E322 V356 S357 E358 R362 Q363 V364	E322-E360 WeakPolarHBondContact CG-OE1 3.4Å; V356-E360 HydrophobicContact CG1-CB 3.79Å; S357-E360 WeakPolarHBondContact CB-OE2 3.46Å; S357-E360 PolarHBondContact N-OE2 3.3Å; S357-E360 PolarHBondContact O-N 3.16Å; S357-E360 VanDerWaalsContact OG-CD 3.27Å; S357-E360 WeakPolarHBondContact OG-CG 3.12Å; S357-E360 PolarHBondContact OG-OE2 3.38Å; E358-E360 PolarHBondContact O-N 2.94Å; E360-R362 VanDerWaalsContact C-N 3.32Å; E360-R362 PolarHBondContact O-N 3.08Å; E360-Q363 PolarHBondContact O-N 2.89Å; E360-Q363 VanDerWaalsContact O-N 3.08Å; E360-V364 HydrophobicContact CB-CG2 4.12Å; E360-V364 WeakPolarHBondContact O-CG2 3.15Å; E360-V364 PolarHBondContact O-N 3.38Å
361	F	93.9	Very high	93.3	Very high	29 Å²	29	52.1 Å²	52.1	13%	0.127	28%	0.28	C	S	.	.	H	α-helix	trans	-48.6	-50.5	-173.4	-77.3	1.1	0	0	0	113	V356 S357 E358 Q363 L365 V391 N451 L453	V356-F361 HydrophobicContact CB-CD1 4.46Å; V356-F361 HydrophobicContact CB-CE1 4.44Å; V356-F361 HydrophobicContact CG1-CD1 3.87Å; V356-F361 HydrophobicContact CG1-CE1 4.28Å; S357-F361 WeakPolarHBondContact O-CD1 3.35Å; S357-F361 WeakPolarHBondContact O-CE1 3.38Å; S357-F361 PolarHBondContact O-N 3.29Å; E358-F361 HydrophobicContact CB-CD2 4.47Å; E358-F361 HydrophobicContact CB-CE2 4.17Å; E358-F361 HydrophobicContact CB-CZ 4.22Å; E358-F361 HydrophobicContact CG-CE1 4.36Å; E358-F361 HydrophobicContact CG-CE2 3.79Å; E358-F361 HydrophobicContact CG-CZ 3.68Å; E358-F361 WeakPolarHBondContact O-CG 3.25Å; E358-F361 PolarHBondContact O-N 2.89Å; F361-Q363 PolarHBondContact O-N 3.24Å; F361-L365 WeakPolarHBondContact O-CB 3.49Å; F361-L365 PolarHBondContact O-N 3.03Å; F361-V391 HydrophobicContact CD1-CG2 4.35Å; F361-V391 HydrophobicContact CE1-CB 4.17Å; F361-V391 HydrophobicContact CE1-CG1 3.77Å; F361-V391 HydrophobicContact CE1-CG2 4.21Å; F361-V391 HydrophobicContact CZ-CB 4.4Å; F361-V391 HydrophobicContact CZ-CG1 4.22Å; F361-N451 HydrophobicContact CE2-CB 3.94Å; F361-N451 HydrophobicContact CZ-CB 4.13Å; F361-L453 HydrophobicContact CB-CD1 3.79Å; F361-L453 HydrophobicContact CB-CD2 4.4Å; F361-L453 HydrophobicContact CD1-CD1 4.16Å; F361-L453 HydrophobicContact CD2-CD1 4.18Å; F361-L453 HydrophobicContact CD2-CD2 3.53Å; F361-L453 HydrophobicContact CE2-CD2 3.89Å; F361-L453 HydrophobicContact CG-CD1 3.79Å; F361-L453 HydrophobicContact CG-CD2 4.03Å
362	R	93.3	Very high	93.3	Very high	225 Å²	225	52.1 Å²	52.1	85%	0.849	28%	0.28	S	S	*	.	H	α-helix	trans	-62.9	-42.8	-176.8	-173.6	176.6	-179.8	164.1	1.1	112.4	E360 R366	E360-R362 VanDerWaalsContact C-N 3.32Å; E360-R362 PolarHBondContact O-N 3.08Å; R362-R366 WeakPolarHBondContact O-CB 3.45Å; R362-R366 PolarHBondContact O-N 3.11Å; R362-R366 VanDerWaalsContact O-N 3.16Å
363	Q	92.4	Very high	93.2	Very high	117 Å²	117	55.6 Å²	55.6	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-49.1	-178.7	177.4	177.1	-14.8	0	0	110.7	E360 F361 R366 V367	E360-Q363 PolarHBondContact O-N 2.89Å; E360-Q363 VanDerWaalsContact O-N 3.08Å; F361-Q363 PolarHBondContact O-N 3.24Å; Q363-R366 PolarHBondContact O-N 3.33Å; Q363-V367 WeakPolarHBondContact O-CG2 3.49Å; Q363-V367 PolarHBondContact O-N 3.05Å; Q363-V367 VanDerWaalsContact O-N 3.12Å
364	V	91.3	Very high	93.2	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-46.5	-178.1	177.5	0	0	0	0	110.4	E322 V356 E360 R366 V367 E368 Y389	E322-V364 HydrophobicContact CB-CG2 4.46Å; V356-V364 HydrophobicContact CG1-CB 4.13Å; V356-V364 HydrophobicContact CG1-CG1 4.44Å; V356-V364 HydrophobicContact CG1-CG2 3.82Å; V356-V364 HydrophobicContact CG2-CG1 4.02Å; V356-V364 HydrophobicContact CG2-CG2 4.44Å; E360-V364 HydrophobicContact CB-CG2 4.12Å; E360-V364 WeakPolarHBondContact O-CG2 3.15Å; E360-V364 PolarHBondContact O-N 3.38Å; V364-R366 PolarHBondContact O-N 3.37Å; V364-V367 PolarHBondContact O-N 2.75Å; V364-E368 HydrophobicContact CG1-CG 4.01Å; V364-E368 VanDerWaalsContact CG1-OE1 3.25Å; V364-E368 WeakPolarHBondContact CG1-OE1 3.44Å; V364-E368 WeakPolarHBondContact O-CB 3.41Å; V364-E368 PolarHBondContact O-N 2.6Å; V364-Y389 WeakPolarHBondContact CG1-OH 3.26Å
365	L	94.9	Very high	93.3	Very high	31 Å²	31	56.3 Å²	56.3	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-55.8	-49.5	175.8	179.5	68.6	0	0	0	111.3	F361 V367 L369 Y389 L453	F361-L365 WeakPolarHBondContact O-CB 3.49Å; F361-L365 PolarHBondContact O-N 3.03Å; L365-V367 VanDerWaalsContact C-N 3.32Å; L365-V367 PolarHBondContact O-N 3.09Å; L365-L369 HydrophobicContact CD1-CB 4.2Å; L365-L369 HydrophobicContact CD1-CD2 4.15Å; L365-L369 WeakPolarHBondContact O-CB 3.45Å; L365-L369 PolarHBondContact O-N 3.12Å; L365-Y389 HydrophobicContact CD1-CD1 3.66Å; L365-Y389 HydrophobicContact CD1-CD2 3.94Å; L365-Y389 HydrophobicContact CD1-CE1 4.14Å; L365-Y389 HydrophobicContact CD1-CE2 4.39Å; L365-Y389 HydrophobicContact CD1-CG 3.55Å; L365-L453 HydrophobicContact CB-CD1 4.43Å; L365-L453 HydrophobicContact CD1-CB 4.13Å; L365-L453 HydrophobicContact CD2-CB 4.05Å
366	R	94.2	Very high	94	Very high	212 Å²	212	54.5 Å²	54.5	80%	0.8	28%	0.281	S	S	*	.	H	α-helix	trans	-58.2	-44.4	-178.3	-179.5	-179.3	176.8	179	0.2	112	R362 Q363 V364 G370	R362-R366 WeakPolarHBondContact O-CB 3.45Å; R362-R366 PolarHBondContact O-N 3.11Å; R362-R366 VanDerWaalsContact O-N 3.16Å; Q363-R366 PolarHBondContact O-N 3.33Å; V364-R366 PolarHBondContact O-N 3.37Å; R366-G370 PolarHBondContact O-N 3.16Å
367	V	92.3	Very high	94.3	Very high	44 Å²	44	59.6 Å²	59.6	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-73.3	-53.4	-177.1	175	0	0	0	0	110.8	Q363 V364 L365 G370 A371	Q363-V367 WeakPolarHBondContact O-CG2 3.49Å; Q363-V367 PolarHBondContact O-N 3.05Å; Q363-V367 VanDerWaalsContact O-N 3.12Å; V364-V367 PolarHBondContact O-N 2.75Å; L365-V367 VanDerWaalsContact C-N 3.32Å; L365-V367 PolarHBondContact O-N 3.09Å; V367-G370 PolarHBondContact O-N 3.41Å; V367-A371 PolarHBondContact O-N 3.42Å
368	E	94.9	Very high	94.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.9	-43	-173.3	-64.5	-170.6	-167.2	0	0	112.1	L327 R353 V364 G370 A371 L372 Y389	L327-E368 HydrophobicContact CD1-CG 4.15Å; R353-E368 WeakPolarHBondContact CD-OE2 3.5Å; R353-E368 IonicContact CZ-OE1 2.72Å; R353-E368 IonicContact NE-OE1 3.78Å; R353-E368 PolarHBondContact NE-OE1 3.17Å; R353-E368 IonicContact NE-OE2 2.84Å; R353-E368 IonicContact NH2-OE1 3.76Å; V364-E368 HydrophobicContact CG1-CG 4.01Å; V364-E368 VanDerWaalsContact CG1-OE1 3.25Å; V364-E368 WeakPolarHBondContact CG1-OE1 3.44Å; V364-E368 WeakPolarHBondContact O-CB 3.41Å; V364-E368 PolarHBondContact O-N 2.6Å; E368-G370 VanDerWaalsContact C-N 3.31Å; E368-G370 PolarHBondContact O-N 3.07Å; E368-A371 PolarHBondContact O-N 3.16Å; E368-L372 PolarHBondContact O-N 3.3Å; E368-Y389 HydrophobicContact CB-CE2 4.06Å; E368-Y389 PolarHBondContact OE2-OH 3.2Å
369	L	95.5	Very high	94.7	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-37.7	175.3	-175.6	62.2	0	0	0	111.4	L365 L372 R373 I387 Y454	L365-L369 HydrophobicContact CD1-CB 4.2Å; L365-L369 HydrophobicContact CD1-CD2 4.15Å; L365-L369 WeakPolarHBondContact O-CB 3.45Å; L365-L369 PolarHBondContact O-N 3.12Å; L369-L372 PolarHBondContact O-N 2.87Å; L369-R373 WeakPolarHBondContact O-CB 3.38Å; L369-R373 WeakPolarHBondContact O-CG 3.44Å; L369-R373 PolarHBondContact O-N 3.49Å; L369-I387 HydrophobicContact CD1-CB 4.24Å; L369-I387 HydrophobicContact CD1-CD1 3.99Å; L369-I387 HydrophobicContact CD1-CG2 3.63Å; L369-Y454 HydrophobicContact CD1-CD1 4.28Å; L369-Y454 HydrophobicContact CD2-CD1 3.78Å; L369-Y454 HydrophobicContact CD2-CD2 3.81Å; L369-Y454 HydrophobicContact CD2-CE1 4.12Å; L369-Y454 HydrophobicContact CD2-CE2 4.14Å; L369-Y454 HydrophobicContact CD2-CG 3.64Å
370	G	95.4	Very high	94.9	Very high	35 Å²	35	55.9 Å²	55.9	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-44.8	174.2	0	0	0	0	0	112.2	R366 V367 E368 S374	R366-G370 PolarHBondContact O-N 3.16Å; V367-G370 PolarHBondContact O-N 3.41Å; E368-G370 VanDerWaalsContact C-N 3.31Å; E368-G370 PolarHBondContact O-N 3.07Å; G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 3.5Å
371	A	95.3	Very high	95.1	Very high	15 Å²	15	60.3 Å²	60.3	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-46.3	176.3	0	0	0	0	0	112.1	K328 F331 V367 E368 R373 S374 A375	K328-A371 HydrophobicContact CB-CB 4.49Å; F331-A371 HydrophobicContact CD2-CB 4.31Å; F331-A371 HydrophobicContact CE2-CB 4.24Å; V367-A371 PolarHBondContact O-N 3.42Å; E368-A371 PolarHBondContact O-N 3.16Å; A371-R373 PolarHBondContact O-N 2.98Å; A371-S374 WeakPolarHBondContact O-CB 3.39Å; A371-S374 PolarHBondContact O-N 3.17Å; A371-S374 VanDerWaalsContact O-N 3.15Å; A371-A375 PolarHBondContact O-N 2.86Å
372	L	97.1	Very high	95.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-44.8	177.9	178.3	58	0	0	0	112	L279 F331 I335 I349 L351 E368 L369 S374 A375 C376 I387	L279-L372 HydrophobicContact CD1-CD1 4.26Å; F331-L372 HydrophobicContact CB-CD1 3.89Å; F331-L372 HydrophobicContact CD1-CD1 3.93Å; F331-L372 HydrophobicContact CD2-CB 3.79Å; F331-L372 HydrophobicContact CD2-CD1 4.16Å; F331-L372 HydrophobicContact CE2-CB 3.84Å; F331-L372 HydrophobicContact CG-CB 4.27Å; F331-L372 HydrophobicContact CG-CD1 3.75Å; F331-L372 HydrophobicContact CZ-CB 4.37Å; I335-L372 HydrophobicContact CD1-CD1 4.24Å; I349-L372 HydrophobicContact CD1-CD1 4.1Å; I349-L372 HydrophobicContact CG2-CD2 4.1Å; L351-L372 HydrophobicContact CD1-CD2 4.09Å; E368-L372 PolarHBondContact O-N 3.3Å; L369-L372 PolarHBondContact O-N 2.87Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3Å; L372-A375 WeakPolarHBondContact O-CB 3.27Å; L372-A375 PolarHBondContact O-N 2.76Å; L372-C376 PolarHBondContact O-N 2.94Å; L372-C376 PolarHBondContact O-SG 2.83Å; L372-I387 HydrophobicContact CD2-CD1 3.88Å; L372-I387 HydrophobicContact CD2-CG1 4.18Å; L372-I387 HydrophobicContact CD2-CG2 3.83Å; L372-I387 HydrophobicContact CG-CD1 3.99Å
373	R	97.1	Very high	95.5	Very high	74 Å²	74	57.5 Å²	57.5	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-39	174.4	-75.7	174.9	166.1	172.5	-6.4	112.2	L369 A371 A375 C376 R377 I387 Y454 D456	L369-R373 WeakPolarHBondContact O-CB 3.38Å; L369-R373 WeakPolarHBondContact O-CG 3.44Å; L369-R373 PolarHBondContact O-N 3.49Å; A371-R373 PolarHBondContact O-N 2.98Å; R373-A375 VanDerWaalsContact C-N 3.33Å; R373-C376 PolarHBondContact O-N 2.97Å; R373-R377 PolarHBondContact O-N 3.16Å; R373-I387 HydrophobicContact CG-CD1 3.87Å; R373-Y454 PolarHBondContact NH2-OH 3.42Å; R373-D456 IonicContact NH2-OD1 3.68Å; R373-D456 IonicContact NH2-OD2 3.79Å; R373-D456 PolarHBondContact NH2-OD2 2.86Å
374	S	96.1	Very high	95.8	Very high	36 Å²	36	58.1 Å²	58.1	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-35.6	175.3	-172.6	0	0	0	0	112.5	K328 G370 A371 L372 R377 S378	K328-S374 WeakPolarHBondContact CE-OG 3.39Å; G370-S374 WeakPolarHBondContact O-CB 3.32Å; G370-S374 PolarHBondContact O-N 3.5Å; A371-S374 WeakPolarHBondContact O-CB 3.39Å; A371-S374 PolarHBondContact O-N 3.17Å; A371-S374 VanDerWaalsContact O-N 3.15Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3Å; S374-R377 PolarHBondContact O-N 2.99Å; S374-S378 PolarHBondContact O-N 2.86Å; S374-S378 PolarHBondContact O-OG 3.46Å
375	A	96.7	Very high	96.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-43.3	175.7	0	0	0	0	0	111.1	K328 F331 L332 I335 A371 L372 R373 S378	K328-A375 HydrophobicContact CG-CB 4.14Å; K328-A375 WeakPolarHBondContact O-CB 3.3Å; F331-A375 HydrophobicContact CB-CB 3.9Å; L332-A375 HydrophobicContact CB-CB 4.16Å; I335-A375 HydrophobicContact CD1-CB 4.32Å; A371-A375 PolarHBondContact O-N 2.86Å; L372-A375 WeakPolarHBondContact O-CB 3.27Å; L372-A375 PolarHBondContact O-N 2.76Å; R373-A375 VanDerWaalsContact C-N 3.33Å; A375-S378 WeakPolarHBondContact CA-OG 3.49Å; A375-S378 PolarHBondContact O-N 3.11Å; A375-S378 PolarHBondContact O-OG 2.93Å
376	C	97.9	Very high	96.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-51.1	173.6	-61.9	0	0	0	0	111.1	L372 R373 S378 L379 Y383	L372-C376 PolarHBondContact O-N 2.94Å; L372-C376 PolarHBondContact O-SG 2.83Å; R373-C376 PolarHBondContact O-N 2.97Å; C376-S378 VanDerWaalsContact C-N 3.27Å; C376-S378 PolarHBondContact O-N 2.97Å; C376-L379 WeakPolarHBondContact O-CB 3.39Å; C376-L379 PolarHBondContact O-N 3.46Å; C376-L379 VanDerWaalsContact O-N 3.08Å; C376-Y383 HydrophobicContact CB-CD1 3.59Å; C376-Y383 HydrophobicContact CB-CE1 3.79Å; C376-Y383 WeakPolarHBondContact O-CD1 3.11Å
377	R	97.1	Very high	96.5	Very high	109 Å²	109	47.8 Å²	47.8	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-33.1	178.4	-83.6	-170.5	-61.4	-112.6	6.7	114.5	R373 S374 L379 N380 E381 R384	R373-R377 PolarHBondContact O-N 3.16Å; S374-R377 PolarHBondContact O-N 2.99Å; R377-L379 PolarHBondContact O-N 3.31Å; R377-N380 WeakPolarHBondContact CA-O 3.39Å; R377-N380 CarbonylContact O-C 3.59Å; R377-N380 PolarHBondContact O-N 3.11Å; R377-E381 PolarHBondContact O-N 2.84Å; R377-R384 VanDerWaalsContact CD-NH2 3.28Å
378	S	96.4	Very high	96.8	Very high	61 Å²	61	45.7 Å²	45.7	43%	0.427	23%	0.231	S	C	.	.	H	α-helix	trans	-70.5	-18.4	178.4	48.2	0	0	0	0	114.1	S374 A375 C376	S374-S378 PolarHBondContact O-N 2.86Å; S374-S378 PolarHBondContact O-OG 3.46Å; A375-S378 WeakPolarHBondContact CA-OG 3.49Å; A375-S378 PolarHBondContact O-N 3.11Å; A375-S378 PolarHBondContact O-OG 2.93Å; C376-S378 VanDerWaalsContact C-N 3.27Å; C376-S378 PolarHBondContact O-N 2.97Å
379	L	95.2	Very high	97	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-82.3	-35.8	173.7	-69	171.4	0	0	0	112.5	L332 I335 M336 R345 C376 R377 Y383	L332-L379 HydrophobicContact CD1-CD1 3.94Å; L332-L379 HydrophobicContact CD1-CD2 3.55Å; L332-L379 HydrophobicContact CD1-CG 3.5Å; I335-L379 HydrophobicContact CB-CD1 4.25Å; I335-L379 HydrophobicContact CG2-CD1 3.4Å; M336-L379 HydrophobicContact CE-CD2 3.43Å; M336-L379 VanDerWaalsContact CE-CD2 3.43Å; M336-L379 HydrophobicContact CG-CD2 4.03Å; R345-L379 PolarHBondContact NH2-O 3.48Å; R345-L379 VanDerWaalsContact NH2-O 3.14Å; C376-L379 WeakPolarHBondContact O-CB 3.39Å; C376-L379 PolarHBondContact O-N 3.46Å; C376-L379 VanDerWaalsContact O-N 3.08Å; R377-L379 PolarHBondContact O-N 3.31Å; L379-Y383 HydrophobicContact CD1-CD1 4.4Å; L379-Y383 HydrophobicContact CD1-CE1 4.28Å
380	N	95.3	Very high	97.1	Very high	68 Å²	68	45.2 Å²	45.2	36%	0.364	23%	0.229	S	C	.	.			trans	-167.4	132.6	175.4	175.5	-45.9	0	0	0	106.9	R377 E382 Y383	R377-N380 WeakPolarHBondContact CA-O 3.39Å; R377-N380 CarbonylContact O-C 3.59Å; R377-N380 PolarHBondContact O-N 3.11Å; N380-E382 PolarHBondContact O-N 3.13Å; N380-E382 VanDerWaalsContact O-N 3.14Å; N380-E382 WeakPolarHBondContact OD1-CA 3.33Å; N380-E382 WeakPolarHBondContact OD1-CB 3.43Å; N380-E382 PolarHBondContact OD1-N 2.99Å; N380-Y383 WeakPolarHBondContact O-CB 3.09Å; N380-Y383 PolarHBondContact O-N 2.9Å
381	E	95.6	Very high	97.2	Very high	156 Å²	156	43.6 Å²	43.6	73%	0.729	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	-176	-172.9	163.9	-162.9	0	0	113.5	R377 R384	R377-E381 PolarHBondContact O-N 2.84Å; E381-R384 PolarHBondContact O-NH1 3.36Å; E381-R384 PolarHBondContact O-NH2 3.25Å
382	E	97.1	Very high	97.3	Very high	168 Å²	168	42.9 Å²	42.9	79%	0.785	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.8	177.4	-59	-177.3	162.7	0	0	113.5	N380 R384	N380-E382 PolarHBondContact O-N 3.13Å; N380-E382 VanDerWaalsContact O-N 3.14Å; N380-E382 WeakPolarHBondContact OD1-CA 3.33Å; N380-E382 WeakPolarHBondContact OD1-CB 3.43Å; N380-E382 PolarHBondContact OD1-N 2.99Å; E382-R384 PolarHBondContact O-N 3.33Å
383	Y	98	Very high	97.3	Very high	27 Å²	27	44 Å²	44	11%	0.106	21%	0.211	C	C	.	.			trans	-69.7	108	-178.3	178.3	-126.9	0	0	0	111	I335 R345 P346 C376 L379 N380 P385	I335-Y383 HydrophobicContact CG2-CE1 4.24Å; R345-Y383 HydrophobicContact CB-CE2 3.97Å; P346-Y383 WeakPolarHBondContact CD-OH 3.45Å; P346-Y383 WeakPolarHBondContact O-CE2 3.28Å; P346-Y383 PolarHBondContact O-OH 3.34Å; C376-Y383 HydrophobicContact CB-CD1 3.59Å; C376-Y383 HydrophobicContact CB-CE1 3.79Å; C376-Y383 WeakPolarHBondContact O-CD1 3.11Å; L379-Y383 HydrophobicContact CD1-CD1 4.4Å; L379-Y383 HydrophobicContact CD1-CE1 4.28Å; N380-Y383 WeakPolarHBondContact O-CB 3.09Å; N380-Y383 PolarHBondContact O-N 2.9Å; Y383-P385 HydrophobicContact CE1-CG 4.1Å; Y383-P385 HydrophobicContact CE2-CB 4.04Å; Y383-P385 HydrophobicContact CE2-CG 3.94Å
384	R	97.5	Very high	96.9	Very high	129 Å²	129	43.8 Å²	43.8	49%	0.487	21%	0.212	S	C	.	.			trans	-133.1	71.9	-178.4	-63.3	-65.3	-180	-68.7	-14.5	110.3	R377 E381 E382	R377-R384 VanDerWaalsContact CD-NH2 3.28Å; E381-R384 PolarHBondContact O-NH1 3.36Å; E381-R384 PolarHBondContact O-NH2 3.25Å; E382-R384 PolarHBondContact O-N 3.33Å
385	P	98.1	Very high	96.5	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.071	24%	0.241	C	C	.	.			trans	-64.2	151.4	174.7	31.6	-36	0	0	0	109.6	I349 Y383 I387	I349-P385 HydrophobicContact CD1-CB 4.43Å; I349-P385 HydrophobicContact CD1-CG 3.71Å; I349-P385 HydrophobicContact CG1-CB 4.25Å; I349-P385 HydrophobicContact CG1-CG 4.07Å; Y383-P385 HydrophobicContact CE1-CG 4.1Å; Y383-P385 HydrophobicContact CE2-CB 4.04Å; Y383-P385 HydrophobicContact CE2-CG 3.94Å; P385-I387 PolarHBondContact O-N 2.97Å
386	G	98.5	Very high	96.3	Very high	17 Å²	17	54.2 Å²	54.2	18%	0.175	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.6	172.2	0	0	0	0	0	110.5	I349 N457	I349-G386 PolarHBondContact N-O 3.46Å; G386-N457 VanDerWaalsContact C-ND2 3.32Å; G386-N457 VanDerWaalsContact C-OD1 3.3Å; G386-N457 VanDerWaalsContact CA-OD1 3.23Å; G386-N457 WeakPolarHBondContact CA-OD1 3.44Å; G386-N457 PolarHBondContact O-ND2 2.93Å; G386-N457 PolarHBondContact O-OD1 3.31Å
387	I	98.8	Very high	96	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.5	-178.6	-60.9	166.1	0	0	0	110.4	I349 L369 L372 R373 P385 D456	I349-I387 HydrophobicContact CB-CG1 4.29Å; I349-I387 WeakPolarHBondContact O-CA 3.37Å; L369-I387 HydrophobicContact CD1-CB 4.24Å; L369-I387 HydrophobicContact CD1-CD1 3.99Å; L369-I387 HydrophobicContact CD1-CG2 3.63Å; L372-I387 HydrophobicContact CD2-CD1 3.88Å; L372-I387 HydrophobicContact CD2-CG1 4.18Å; L372-I387 HydrophobicContact CD2-CG2 3.83Å; L372-I387 HydrophobicContact CG-CD1 3.99Å; R373-I387 HydrophobicContact CG-CD1 3.87Å; P385-I387 PolarHBondContact O-N 2.97Å; I387-D456 PolarHBondContact O-N 2.63Å
388	T	98.9	Very high	95.8	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.6	164.8	-47.9	0	0	0	0	109.3	I349 L351 V390 V452 Y454 D455 N457 F459 M464	I349-T388 PolarHBondContact O-N 3.02Å; L351-T388 PolarHBondContact N-O 3.37Å; T388-V390 HydrophobicContact CG2-CG2 3.91Å; T388-V452 HydrophobicContact CG2-CG1 4.03Å; T388-Y454 CarbonylContact C-O 3.53Å; T388-Y454 WeakPolarHBondContact CA-O 3.1Å; T388-D455 WeakPolarHBondContact CB-OD1 3.02Å; T388-D455 HydrophobicContact CG2-CB 4.1Å; T388-D455 WeakPolarHBondContact CG2-OD1 3.33Å; T388-D455 PolarHBondContact OG1-OD1 3.17Å; T388-N457 PolarHBondContact N-ND2 2.89Å; T388-N457 WeakPolarHBondContact OG1-CB 3.11Å; T388-N457 PolarHBondContact OG1-ND2 3.17Å; T388-F459 HydrophobicContact CG2-CD2 4.11Å; T388-F459 WeakPolarHBondContact OG1-CD2 3.44Å; T388-F459 WeakPolarHBondContact OG1-CE2 3.46Å; T388-M464 HydrophobicContact CG2-SD 4.03Å
389	Y	98.5	Very high	95.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.7	-179.4	-168.8	-75.3	0	0	0	110.2	L351 R353 V364 L365 E368 V391 L453 Y454	L351-Y389 HydrophobicContact CB-CD2 4.46Å; L351-Y389 HydrophobicContact CD1-CD2 4.11Å; L351-Y389 HydrophobicContact CD1-CE2 4.05Å; L351-Y389 HydrophobicContact CD2-CD2 3.76Å; L351-Y389 HydrophobicContact CD2-CE2 3.55Å; L351-Y389 HydrophobicContact CD2-CG 4.39Å; L351-Y389 HydrophobicContact CG-CD2 4.34Å; L351-Y389 HydrophobicContact CG-CE2 4.38Å; R353-Y389 HydrophobicContact CB-CE1 4.2Å; R353-Y389 WeakPolarHBondContact CG-OH 3.44Å; V364-Y389 WeakPolarHBondContact CG1-OH 3.26Å; L365-Y389 HydrophobicContact CD1-CD1 3.66Å; L365-Y389 HydrophobicContact CD1-CD2 3.94Å; L365-Y389 HydrophobicContact CD1-CE1 4.14Å; L365-Y389 HydrophobicContact CD1-CE2 4.39Å; L365-Y389 HydrophobicContact CD1-CG 3.55Å; E368-Y389 HydrophobicContact CB-CE2 4.06Å; E368-Y389 PolarHBondContact OE2-OH 3.2Å; Y389-V391 HydrophobicContact CD1-CG2 4.39Å; Y389-V391 HydrophobicContact CE1-CG2 3.74Å; Y389-L453 HydrophobicContact CD1-CB 4.11Å; Y389-L453 HydrophobicContact CD1-CD1 4.2Å; Y389-L453 HydrophobicContact CD1-CG 4.34Å; Y389-L453 HydrophobicContact CE1-CD1 4.08Å; Y389-L453 PolarHBondContact O-N 2.81Å; Y389-Y454 PolarHBondContact N-O 2.94Å
390	V	98.6	Very high	95.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.7	-174.8	-169.3	0	0	0	0	110.1	L351 F352 R353 T388 Y450 N451 V452 M464	L351-V390 PolarHBondContact O-N 3.29Å; F352-V390 CarbonylContact C-O 3.49Å; F352-V390 VanDerWaalsContact CA-O 3.3Å; F352-V390 WeakPolarHBondContact CA-O 3.38Å; F352-V390 HydrophobicContact CD1-CB 3.88Å; F352-V390 HydrophobicContact CD1-CG1 4.07Å; F352-V390 HydrophobicContact CE1-CB 4.11Å; F352-V390 HydrophobicContact CE1-CG1 4.13Å; F352-V390 HydrophobicContact CE1-CG2 4.35Å; R353-V390 PolarHBondContact N-O 2.85Å; T388-V390 HydrophobicContact CG2-CG2 3.91Å; V390-Y450 HydrophobicContact CG1-CD1 4Å; V390-N451 CarbonylContact C-O 3.59Å; V390-N451 WeakPolarHBondContact CA-O 3.46Å; V390-V452 HydrophobicContact CG1-CG2 4.46Å; V390-V452 HydrophobicContact CG2-CG2 4.23Å; V390-M464 HydrophobicContact CG2-CE 4.36Å; V390-M464 HydrophobicContact CG2-SD 3.87Å
391	V	97.8	Very high	95.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	169.6	177.8	0	0	0	0	109.7	R353 V356 F361 Y389 Q393 Y450 N451 L453	R353-V391 HydrophobicContact CB-CG2 4.47Å; R353-V391 CarbonylContact O-C 3.58Å; R353-V391 WeakPolarHBondContact O-CA 3.46Å; V356-V391 HydrophobicContact CB-CG1 4Å; F361-V391 HydrophobicContact CD1-CG2 4.35Å; F361-V391 HydrophobicContact CE1-CB 4.17Å; F361-V391 HydrophobicContact CE1-CG1 3.77Å; F361-V391 HydrophobicContact CE1-CG2 4.21Å; F361-V391 HydrophobicContact CZ-CB 4.4Å; F361-V391 HydrophobicContact CZ-CG1 4.22Å; Y389-V391 HydrophobicContact CD1-CG2 4.39Å; Y389-V391 HydrophobicContact CE1-CG2 3.74Å; V391-Q393 HydrophobicContact CG1-CG 3.99Å; V391-Y450 CarbonylContact O-C 3.59Å; V391-Y450 WeakPolarHBondContact O-CA 3.41Å; V391-N451 HydrophobicContact CB-CB 4.48Å; V391-N451 PolarHBondContact N-O 2.94Å; V391-N451 PolarHBondContact O-N 3.09Å; V391-L453 HydrophobicContact CG2-CD1 3.45Å; V391-L453 VanDerWaalsContact CG2-CD1 3.45Å; V391-L453 HydrophobicContact CG2-CG 3.99Å
392	V	98.2	Very high	95.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.5	176.7	-171.9	0	0	0	0	109.3	F352 R353 D354 G355 A448 K449 Y450 I484 V488	F352-V392 HydrophobicContact CB-CG2 4.1Å; F352-V392 HydrophobicContact CD1-CG2 3.67Å; F352-V392 HydrophobicContact CG-CG2 4.36Å; R353-V392 PolarHBondContact O-N 2.84Å; D354-V392 WeakPolarHBondContact CA-O 3.42Å; G355-V392 PolarHBondContact N-O 3.36Å; V392-A448 HydrophobicContact CG1-CB 4.16Å; V392-K449 CarbonylContact C-O 3.56Å; V392-K449 WeakPolarHBondContact CA-O 3.3Å; V392-Y450 HydrophobicContact CB-CE1 4.49Å; V392-Y450 HydrophobicContact CG1-CD1 4.42Å; V392-Y450 HydrophobicContact CG1-CE1 4Å; V392-Y450 HydrophobicContact CG2-CD1 3.78Å; V392-Y450 HydrophobicContact CG2-CE1 3.72Å; V392-I484 HydrophobicContact CG1-CB 4.21Å; V392-I484 HydrophobicContact CG1-CG2 3.65Å; V392-V488 HydrophobicContact CG2-CG2 4.23Å
393	Q	95.7	Very high	95	Very high	24 Å²	24	50.5 Å²	50.5	11%	0.112	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103.8	179.2	-64	173.6	-44.2	0	0	109.5	V356 V391 H396 K449 N451	V356-Q393 PolarHBondContact O-NE2 3.03Å; V391-Q393 HydrophobicContact CG1-CG 3.99Å; Q393-H396 PolarHBondContact O-CD2 3.25Å; Q393-K449 HydrophobicContact CB-CB 4.29Å; Q393-K449 PolarHBondContact N-O 3.38Å; Q393-K449 PolarHBondContact O-N 3.43Å; Q393-N451 PolarHBondContact OE1-ND2 3.09Å; Q393-N451 VanDerWaalsContact OE1-ND2 3.15Å
394	K	90.1	Very high	94.8	Very high	69 Å²	69	52.7 Å²	52.7	30%	0.3	24%	0.24	S	C	.	.			trans	-83.8	-24	173.8	-177.8	173.2	175.8	170.7	0	113.2	S483 I484 Y489	K394-S483 WeakPolarHBondContact CE-OG 3.47Å; K394-S483 PolarHBondContact NZ-OG 2.94Å; K394-I484 HydrophobicContact CB-CG2 4.22Å; K394-I484 HydrophobicContact CD-CG2 4.27Å; K394-Y489 PolarHBondContact NZ-OH 2.95Å; K394-Y489 VanDerWaalsContact NZ-OH 3.09Å
395	R	86.9	Confident	94.4	Very high	227 Å²	227	51.1 Å²	51.1	86%	0.857	24%	0.239	S	C	*	.	S	Bend	trans	-106.3	89	-174.5	-63.8	-176.8	-172.5	163.9	7.5	110.3
396	H	91.9	Very high	94.2	Very high	28 Å²	28	55.3 Å²	55.3	13%	0.13	27%	0.268	C	S	.	.			trans	-141.2	179.5	172	58.6	72.7	0	0	0	111.4	Q393 A398 R399 Y434 P447	Q393-H396 PolarHBondContact O-CD2 3.25Å; H396-A398 PolarHBondContact CE1-O 3.02Å; H396-A398 PolarHBondContact ND1-N 2.85Å; H396-A398 PolarHBondContact ND1-O 3.4Å; H396-R399 PolarHBondContact O-NH1 3.34Å; H396-R399 PolarHBondContact O-NH2 3.36Å; H396-R399 VanDerWaalsContact O-NH2 3.15Å; H396-Y434 AromaticContact CE1-CD1 3.93Å; H396-Y434 AromaticContact CE1-CE1 3.67Å; H396-Y434 AromaticContact NE2-CD1 3.96Å; H396-Y434 AromaticContact NE2-CE1 3.84Å; H396-P447 PolarHBondContact CE1-O 3.23Å; H396-P447 PolarHBondContact NE2-O 3.49Å
397	H	91	Very high	94	Very high	182 Å²	182	63 Å²	63	84%	0.843	29%	0.292	S	S	*	.	S	Bend	trans	-91.7	-23.3	-174.1	-62.2	-77.8	0	0	0	114	R399	H397-R399 PolarHBondContact O-N 3.23Å
398	A	93.1	Very high	93.7	Very high	30 Å²	30	64.1 Å²	64.1	25%	0.248	30%	0.301	C	S	.	.			trans	-56.8	130.4	178.6	0	0	0	0	0	113	H396 F400 Y434	H396-A398 PolarHBondContact CE1-O 3.02Å; H396-A398 PolarHBondContact ND1-N 2.85Å; H396-A398 PolarHBondContact ND1-O 3.4Å; A398-F400 HydrophobicContact CB-CE2 4.07Å; A398-F400 HydrophobicContact CB-CZ 4.22Å; A398-Y434 HydrophobicContact CB-CE1 3.8Å
399	R	92.6	Very high	93.5	Very high	51 Å²	51	65.4 Å²	65.4	19%	0.192	31%	0.31	C	S	.	.			trans	-134.4	151.3	175.3	-63.1	-64.8	176	-87.3	-12.4	108.4	L53 H396 H397	L53-R399 HydrophobicContact CD1-CB 4.25Å; H396-R399 PolarHBondContact O-NH1 3.34Å; H396-R399 PolarHBondContact O-NH2 3.36Å; H396-R399 VanDerWaalsContact O-NH2 3.15Å; H397-R399 PolarHBondContact O-N 3.23Å
400	F	93.5	Very high	93.1	Very high	23 Å²	23	68 Å²	68	10%	0.101	34%	0.336	C	S	.	.			trans	-138.4	148	-174	-56.3	-89	0	0	0	109.7	V85 A398 M415 I421 V425 Y434 P447	V85-F400 HydrophobicContact CG2-CD1 4.13Å; V85-F400 HydrophobicContact CG2-CE1 4.24Å; A398-F400 HydrophobicContact CB-CE2 4.07Å; A398-F400 HydrophobicContact CB-CZ 4.22Å; F400-M415 HydrophobicContact CB-CE 3.42Å; F400-M415 VanDerWaalsContact CB-CE 3.42Å; F400-M415 HydrophobicContact CB-SD 3.4Å; F400-M415 WeakPolarHBondContact CB-SD 3.23Å; F400-M415 HydrophobicContact CD2-CE 4.13Å; F400-M415 HydrophobicContact CG-CE 4Å; F400-M415 HydrophobicContact CG-SD 4.29Å; F400-I421 HydrophobicContact CB-CD1 4.25Å; F400-I421 HydrophobicContact CD1-CD1 3.2Å; F400-I421 HydrophobicContact CD2-CD1 4.09Å; F400-I421 HydrophobicContact CE1-CD1 3.32Å; F400-I421 HydrophobicContact CE1-CG2 4.22Å; F400-I421 HydrophobicContact CE2-CD1 4.18Å; F400-I421 HydrophobicContact CG-CD1 3.59Å; F400-I421 HydrophobicContact CZ-CD1 3.81Å; F400-V425 HydrophobicContact CE1-CG2 4.08Å; F400-V425 HydrophobicContact CZ-CG2 4.36Å; F400-Y434 AromaticContact CE2-CD1 3.99Å; F400-Y434 HydrophobicContact CE2-CD1 3.99Å; F400-Y434 HydrophobicContact CE2-CD2 4.49Å; F400-Y434 HydrophobicContact CE2-CE1 4.45Å; F400-Y434 AromaticContact CE2-CG 3.99Å; F400-Y434 HydrophobicContact CE2-CG 3.99Å; F400-Y434 HydrophobicContact CZ-CD1 4.17Å; F400-Y434 AromaticContact CZ-CD2 3.89Å; F400-Y434 HydrophobicContact CZ-CD2 3.89Å; F400-Y434 HydrophobicContact CZ-CE1 4.46Å; F400-Y434 HydrophobicContact CZ-CE2 4.23Å; F400-Y434 AromaticContact CZ-CG 3.86Å; F400-Y434 HydrophobicContact CZ-CG 3.86Å; F400-P447 HydrophobicContact CD2-CB 4.5Å; F400-P447 HydrophobicContact CD2-CG 3.67Å; F400-P447 HydrophobicContact CE2-CB 4.44Å; F400-P447 HydrophobicContact CE2-CG 4.08Å
401	M	92	Very high	92.6	Very high	66 Å²	66	77.7 Å²	77.7	33%	0.325	38%	0.378	S	S	.	.			trans	-130.3	156.3	170.2	71.5	-178.4	-114.6	0	0	109.2	A49 L53 K403	A49-M401 HydrophobicContact CB-CB 4.35Å; L53-M401 HydrophobicContact CB-SD 3.98Å; L53-M401 HydrophobicContact CD2-CB 3.99Å; L53-M401 HydrophobicContact CD2-CG 3.56Å; L53-M401 HydrophobicContact CD2-SD 3.53Å; L53-M401 VanDerWaalsContact CD2-SD 3.53Å; L53-M401 HydrophobicContact CG-SD 4.32Å; M401-K403 PolarHBondContact O-N 3.12Å
402	C	93.9	Very high	92.2	Very high	20 Å²	20	77.9 Å²	77.9	14%	0.135	38%	0.38	C	S	.	.			trans	-69	127.7	167.5	-61.3	0	0	0	0	108.8	D404 A408	C402-D404 VanDerWaalsContact C-N 3.28Å; C402-D404 VanDerWaalsContact CB-O 3.24Å; C402-D404 WeakPolarHBondContact CB-O 3.4Å; C402-A408 HydrophobicContact CB-CB 4.4Å
403	K	92.1	Very high	92	Very high	153 Å²	153	81.8 Å²	81.8	67%	0.665	40%	0.395	S	S	*	.	S	Bend	trans	-61.5	-41.9	169.2	-178.1	176.9	177.6	176.9	0	110.8	E84 M401	E84-K403 VanDerWaalsContact OE1-CE 3.24Å; E84-K403 WeakPolarHBondContact OE1-CE 3.49Å; E84-K403 IonicContact OE1-NZ 2.83Å; E84-K403 PolarHBondContact OE1-NZ 3.04Å; E84-K403 IonicContact OE2-NZ 3.88Å; E84-K403 PolarHBondContact OE2-NZ 2.92Å; M401-K403 PolarHBondContact O-N 3.12Å
404	D	93.1	Very high	92	Very high	72 Å²	72	80.8 Å²	80.8	39%	0.385	39%	0.39	S	S	.	.	S	Bend	trans	-91.3	103.2	170.9	175.1	7	0	0	0	109.4	C402 S406 R407	C402-D404 VanDerWaalsContact C-N 3.28Å; C402-D404 VanDerWaalsContact CB-O 3.24Å; C402-D404 WeakPolarHBondContact CB-O 3.4Å; D404-S406 PolarHBondContact O-N 3.04Å; D404-S406 VanDerWaalsContact O-N 3.17Å; D404-S406 VanDerWaalsContact OD1-CB 3.3Å; D404-S406 WeakPolarHBondContact OD1-CB 3.03Å; D404-S406 PolarHBondContact OD1-N 2.99Å; D404-S406 PolarHBondContact OD1-OG 3.06Å; D404-S406 PolarHBondContact OD2-OG 3.03Å; D404-S406 VanDerWaalsContact OD2-OG 3.11Å; D404-R407 HydrophobicContact CB-CG 4.41Å; D404-R407 PolarHBondContact O-N 3.28Å; D404-R407 VanDerWaalsContact O-N 3.15Å; D404-R407 IonicContact OD2-NE 3.96Å; D404-R407 PolarHBondContact OD2-NE 3.12Å
405	E	89.7	Confident	92.2	Very high	96 Å²	96	78.1 Å²	78.1	45%	0.449	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.3	-21.3	-178.7	-71.1	-160.9	-160.8	0	0	113.3	R407 A408 R413	E405-R407 PolarHBondContact O-N 3.04Å; E405-A408 WeakPolarHBondContact O-CB 3.27Å; E405-A408 PolarHBondContact O-N 3.05Å; E405-R413 IonicContact OE1-NH1 3.11Å; E405-R413 IonicContact OE2-CZ 2.96Å; E405-R413 IonicContact OE2-NH1 3.38Å; E405-R413 PolarHBondContact OE2-NH1 3.06Å
406	S	93.4	Very high	92.7	Very high	99 Å²	99	68.1 Å²	68.1	69%	0.692	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22	177.5	74.7	0	0	0	0	113	D404	D404-S406 PolarHBondContact O-N 3.04Å; D404-S406 VanDerWaalsContact O-N 3.17Å; D404-S406 VanDerWaalsContact OD1-CB 3.3Å; D404-S406 WeakPolarHBondContact OD1-CB 3.03Å; D404-S406 PolarHBondContact OD1-N 2.99Å; D404-S406 PolarHBondContact OD1-OG 3.06Å; D404-S406 PolarHBondContact OD2-OG 3.03Å; D404-S406 VanDerWaalsContact OD2-OG 3.11Å
407	R	93.4	Very high	92.9	Very high	179 Å²	179	67 Å²	67	68%	0.675	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-87.6	-7.9	175.7	-58.7	-175.9	-176.6	-150.1	-3.9	113.2	D404 E405	D404-R407 HydrophobicContact CB-CG 4.41Å; D404-R407 PolarHBondContact O-N 3.28Å; D404-R407 VanDerWaalsContact O-N 3.15Å; D404-R407 IonicContact OD2-NE 3.96Å; D404-R407 PolarHBondContact OD2-NE 3.12Å; E405-R407 PolarHBondContact O-N 3.04Å
408	A	93.8	Very high	93.2	Very high	26 Å²	26	58.3 Å²	58.3	22%	0.215	30%	0.299	C	S	.	.			trans	-73.4	144.3	-178.8	0	0	0	0	0	111	C402 E405 R413 N414	C402-A408 HydrophobicContact CB-CB 4.4Å; E405-A408 WeakPolarHBondContact O-CB 3.27Å; E405-A408 PolarHBondContact O-N 3.05Å; A408-R413 HydrophobicContact CB-CB 4.02Å; A408-N414 CarbonylContact C-O 3.58Å; A408-N414 WeakPolarHBondContact CA-O 3.22Å
409	V	93.3	Very high	93.4	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.17	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-115.5	135.3	-172.6	-175.9	0	0	0	0	111.3	N110 N414 P416 T439	N110-V409 HydrophobicContact CB-CG1 4.34Å; V409-N414 PolarHBondContact N-O 3.18Å; V409-N414 PolarHBondContact O-N 3.43Å; V409-N414 VanDerWaalsContact O-N 3.15Å; V409-P416 HydrophobicContact CG2-CB 3.87Å; V409-T439 HydrophobicContact CG1-CG2 4.18Å
410	G	90.2	Very high	93.7	Very high	53 Å²	53	55 Å²	55	55%	0.546	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-179.2	171	0	0	0	0	0	114.4	G412 R413	G410-G412 PolarHBondContact O-N 3.12Å; G410-R413 PolarHBondContact O-N 3.22Å
411	K	88.2	Confident	93.9	Very high	204 Å²	204	54.1 Å²	54.1	89%	0.887	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.2	-176.8	-67.4	-170.9	176.9	-172.7	0	113.6	R413	K411-R413 VanDerWaalsContact C-N 3.25Å; K411-R413 PolarHBondContact O-N 2.8Å
412	G	90.5	Very high	94.1	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.2	177.4	0	0	0	0	0	114.4	D48 A49 G410 N414	D48-G412 WeakPolarHBondContact CA-O 3.35Å; D48-G412 WeakPolarHBondContact CB-O 3.35Å; A49-G412 PolarHBondContact N-O 3.39Å; G410-G412 PolarHBondContact O-N 3.12Å; G412-N414 PolarHBondContact O-N 3.08Å
413	R	94.4	Very high	94.1	Very high	83 Å²	83	56.2 Å²	56.2	31%	0.313	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	47.4	-176.5	-61.1	-174.2	-70.8	172.2	-8.1	112.1	D48 P50 E405 A408 G410 K411	D48-R413 IonicContact OD1-CZ 3.54Å; D48-R413 IonicContact OD1-NE 3.06Å; D48-R413 PolarHBondContact OD1-NE 3.42Å; D48-R413 IonicContact OD1-NH2 2.66Å; D48-R413 PolarHBondContact OD1-NH2 3.34Å; P50-R413 HydrophobicContact CG-CB 4.09Å; E405-R413 IonicContact OE1-NH1 3.11Å; E405-R413 IonicContact OE2-CZ 2.96Å; E405-R413 IonicContact OE2-NH1 3.38Å; E405-R413 PolarHBondContact OE2-NH1 3.06Å; A408-R413 HydrophobicContact CB-CB 4.02Å; G410-R413 PolarHBondContact O-N 3.22Å; K411-R413 VanDerWaalsContact C-N 3.25Å; K411-R413 PolarHBondContact O-N 2.8Å
414	N	95.3	Very high	94.1	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.011	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-86.9	164.3	-176.2	-75	-63.9	0	0	0	111.8	A408 V409 G412 G440 G443 T444 S445	A408-N414 CarbonylContact C-O 3.58Å; A408-N414 WeakPolarHBondContact CA-O 3.22Å; V409-N414 PolarHBondContact N-O 3.18Å; V409-N414 PolarHBondContact O-N 3.43Å; V409-N414 VanDerWaalsContact O-N 3.15Å; G412-N414 PolarHBondContact O-N 3.08Å; N414-G440 PolarHBondContact ND2-O 3.43Å; N414-G443 PolarHBondContact ND2-O 3.35Å; N414-T444 WeakPolarHBondContact OD1-CA 3.24Å; N414-S445 VanDerWaalsContact CG-OG 3.32Å; N414-S445 PolarHBondContact OD1-N 2.79Å; N414-S445 PolarHBondContact OD1-OG 3.31Å
415	M	94.9	Very high	94.2	Very high	14 Å²	14	57.7 Å²	57.7	7%	0.069	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-58.1	147.2	165.7	-60	-174.1	-55.3	0	0	110.8	F400 T419 I421 C436 P447	F400-M415 HydrophobicContact CB-CE 3.42Å; F400-M415 VanDerWaalsContact CB-CE 3.42Å; F400-M415 HydrophobicContact CB-SD 3.4Å; F400-M415 WeakPolarHBondContact CB-SD 3.23Å; F400-M415 HydrophobicContact CD2-CE 4.13Å; F400-M415 HydrophobicContact CG-CE 4Å; F400-M415 HydrophobicContact CG-SD 4.29Å; M415-T419 HydrophobicContact CB-CG2 4.42Å; M415-T419 HydrophobicContact CE-CG2 4.18Å; M415-T419 HydrophobicContact SD-CG2 3.81Å; M415-I421 HydrophobicContact CE-CD1 4.34Å; M415-I421 HydrophobicContact SD-CD1 4.21Å; M415-C436 HydrophobicContact CE-CB 4.04Å; M415-P447 HydrophobicContact CE-CG 3.63Å
416	P	95.6	Very high	94.5	Very high	17 Å²	17	54.7 Å²	54.7	11%	0.11	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.8	155.1	176.2	25.1	-32.5	0	0	0	111.7	V89 V409 G418 T419	V89-P416 HydrophobicContact CG1-CB 4.47Å; V89-P416 HydrophobicContact CG1-CG 4.27Å; V89-P416 HydrophobicContact CG2-CG 3.68Å; V409-P416 HydrophobicContact CG2-CB 3.87Å; P416-G418 PolarHBondContact O-N 3.33Å; P416-T419 WeakPolarHBondContact CG-OG1 3.24Å; P416-T419 PolarHBondContact O-N 2.81Å; P416-T419 PolarHBondContact O-OG1 2.82Å
417	A	96.5	Very high	94.4	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	136.7	172	0	0	0	0	0	109.7	C436 Y469	A417-C436 CarbonylContact C-O 3.55Å; A417-C436 WeakPolarHBondContact CA-O 3.45Å; A417-Y469 PolarHBondContact O-OH 2.79Å
418	G	97.2	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-0.2	-174.8	0	0	0	0	0	114.2	L90 P416 V420 C436 Y469	L90-G418 PolarHBondContact N-O 3.1Å; P416-G418 PolarHBondContact O-N 3.33Å; G418-V420 PolarHBondContact O-N 3.33Å; G418-C436 PolarHBondContact N-O 2.71Å; G418-Y469 PolarHBondContact N-OH 3.39Å
419	T	97.7	Very high	93.8	Very high	10 Å²	10	55.3 Å²	55.3	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	121.5	174.5	-60.5	0	0	0	0	111.3	R88 M415 P416 I421 L435 C436	R88-T419 CarbonylContact O-C 3.54Å; R88-T419 VanDerWaalsContact O-CA 3.25Å; R88-T419 WeakPolarHBondContact O-CA 3.43Å; M415-T419 HydrophobicContact CB-CG2 4.42Å; M415-T419 HydrophobicContact CE-CG2 4.18Å; M415-T419 HydrophobicContact SD-CG2 3.81Å; P416-T419 WeakPolarHBondContact CG-OG1 3.24Å; P416-T419 PolarHBondContact O-N 2.81Å; P416-T419 PolarHBondContact O-OG1 2.82Å; T419-I421 HydrophobicContact CG2-CG1 4.3Å; T419-L435 WeakPolarHBondContact O-CA 3.31Å; T419-C436 PolarHBondContact O-N 2.6Å
420	V	98.2	Very high	93.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.8	173.1	174.5	0	0	0	0	110	G87 R88 L90 G418 D422 F433 Y434 L435 Q465	G87-V420 VanDerWaalsContact CA-O 3.28Å; G87-V420 WeakPolarHBondContact CA-O 3.4Å; R88-V420 PolarHBondContact N-O 2.83Å; R88-V420 PolarHBondContact O-N 3Å; L90-V420 HydrophobicContact CD1-CG2 3.58Å; L90-V420 HydrophobicContact CD2-CG2 4.48Å; L90-V420 HydrophobicContact CG-CG2 3.72Å; G418-V420 PolarHBondContact O-N 3.33Å; V420-D422 HydrophobicContact CG1-CB 4.33Å; V420-F433 HydrophobicContact CG1-CB 4.46Å; V420-Y434 CarbonylContact C-O 3.56Å; V420-Y434 VanDerWaalsContact CA-O 3.26Å; V420-Y434 WeakPolarHBondContact CA-O 3.47Å; V420-L435 HydrophobicContact CG2-CB 4.42Å; V420-L435 HydrophobicContact CG2-CD1 3.63Å; V420-Q465 HydrophobicContact CG1-CG 4.06Å; V420-Q465 HydrophobicContact CG2-CB 4.43Å
421	I	97.8	Very high	93.7	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	109	173.7	-55.5	169.4	0	0	0	107.3	V85 F400 M415 T419 V425 Y434	V85-I421 HydrophobicContact CB-CG2 4.16Å; V85-I421 HydrophobicContact CG2-CD1 4.13Å; V85-I421 HydrophobicContact CG2-CG2 3.99Å; F400-I421 HydrophobicContact CB-CD1 4.25Å; F400-I421 HydrophobicContact CD1-CD1 3.2Å; F400-I421 HydrophobicContact CD2-CD1 4.09Å; F400-I421 HydrophobicContact CE1-CD1 3.32Å; F400-I421 HydrophobicContact CE1-CG2 4.22Å; F400-I421 HydrophobicContact CE2-CD1 4.18Å; F400-I421 HydrophobicContact CG-CD1 3.59Å; F400-I421 HydrophobicContact CZ-CD1 3.81Å; M415-I421 HydrophobicContact CE-CD1 4.34Å; M415-I421 HydrophobicContact SD-CD1 4.21Å; T419-I421 HydrophobicContact CG2-CG1 4.3Å; I421-V425 HydrophobicContact CG2-CG2 3.87Å; I421-Y434 PolarHBondContact N-O 2.79Å; I421-Y434 PolarHBondContact O-N 2.79Å
422	D	96.8	Very high	94.2	Very high	28 Å²	28	47.3 Å²	47.3	15%	0.15	26%	0.257	C	S	.	.			trans	-124.6	11	-174.4	56.9	-13	0	0	0	112.9	R88 V420 T426 F433 Q465	R88-D422 IonicContact CZ-OD2 2.7Å; R88-D422 IonicContact NH2-OD1 3.28Å; R88-D422 IonicContact NH2-OD2 2.72Å; R88-D422 PolarHBondContact NH2-OD2 3.5Å; V420-D422 HydrophobicContact CG1-CB 4.33Å; D422-T426 PolarHBondContact O-OG1 3.15Å; D422-T426 VanDerWaalsContact O-OG1 3.1Å; D422-F433 HydrophobicContact CB-CB 3.81Å; D422-Q465 PolarHBondContact OD2-NE2 3.46Å
423	H	93.6	Very high	94.5	Very high	103 Å²	103	47 Å²	47	48%	0.477	25%	0.254	S	S	.	.	S	Bend	trans	-132	160.7	-179.1	-65.8	77.8	0	0	0	111.3	P86 V425	P86-H423 HydrophobicContact CG-CB 3.97Å; H423-V425 PolarHBondContact O-N 2.82Å
424	R	92.9	Very high	94.7	Very high	206 Å²	206	44.1 Å²	44.1	78%	0.777	24%	0.243	S	C	*	.	S	Bend	trans	67.3	-39.8	171.9	-63.5	-86.2	-174.9	-178.3	-0.7	116.3	V85	V85-R424 HydrophobicContact CG1-CB 3.95Å
425	V	94.9	Very high	94.9	Very high	50 Å²	50	44 Å²	44	30%	0.303	24%	0.243	S	C	.	.	S	Bend	trans	-122.2	9.4	-174	-64.6	0	0	0	0	112.8	V83 V85 F400 I421 H423 Y434	V83-V425 HydrophobicContact CG1-CG1 4.12Å; V85-V425 HydrophobicContact CG1-CB 4.39Å; V85-V425 HydrophobicContact CG1-CG1 3.54Å; V85-V425 HydrophobicContact CG1-CG2 3.98Å; F400-V425 HydrophobicContact CE1-CG2 4.08Å; F400-V425 HydrophobicContact CZ-CG2 4.36Å; I421-V425 HydrophobicContact CG2-CG2 3.87Å; H423-V425 PolarHBondContact O-N 2.82Å; V425-Y434 HydrophobicContact CG2-CE2 4.28Å
426	T	95.5	Very high	95	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.202	24%	0.239	C	C	.	.	S	Bend	trans	-89.9	171	169.3	42	0	0	0	0	110.3	D422 D432 Y434	D422-T426 PolarHBondContact O-OG1 3.15Å; D422-T426 VanDerWaalsContact O-OG1 3.1Å; T426-D432 WeakPolarHBondContact CB-OD1 3.48Å; T426-D432 WeakPolarHBondContact CG2-O 3.4Å; T426-Y434 HydrophobicContact CG2-CD2 4.4Å; T426-Y434 HydrophobicContact CG2-CE2 4.44Å
427	S	92.4	Very high	95	Very high	50 Å²	50	42.5 Å²	42.5	35%	0.35	23%	0.234	S	C	.	.			trans	-63.4	147.7	176.7	66.3	0	0	0	0	111.4	G430 D432	S427-G430 WeakPolarHBondContact OG-CA 3.48Å; S427-G430 PolarHBondContact OG-N 3.28Å; S427-G430 VanDerWaalsContact OG-N 3.11Å; S427-G430 PolarHBondContact OG-O 2.84Å; S427-D432 WeakPolarHBondContact CB-OD1 3.31Å; S427-D432 PolarHBondContact N-OD1 2.87Å; S427-D432 PolarHBondContact N-OD2 3.06Å; S427-D432 PolarHBondContact OG-OD1 3.19Å
428	A	89.6	Confident	95	Very high	99 Å²	99	44 Å²	44	82%	0.818	24%	0.24	S	C	*	.	S	Bend	trans	-67.7	-41.8	-177.2	0	0	0	0	0	112.5
429	D	84	Confident	94.8	Very high	167 Å²	167	45.1 Å²	45.1	89%	0.893	25%	0.247	S	C	*	.	S	Bend	trans	-116.6	1.8	-173.4	-54.7	-36.5	0	0	0	113.1
430	G	86.3	Confident	94.5	Very high	43 Å²	43	45 Å²	45	44%	0.443	25%	0.248	S	C	.	.	S	Bend	trans	-101.9	165.2	-176.6	0	0	0	0	0	112.8	S427	S427-G430 WeakPolarHBondContact OG-CA 3.48Å; S427-G430 PolarHBondContact OG-N 3.28Å; S427-G430 VanDerWaalsContact OG-N 3.11Å; S427-G430 PolarHBondContact OG-O 2.84Å
431	Y	96.1	Very high	94	Very high	66 Å²	66	49.6 Å²	49.6	26%	0.259	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	81.4	174.5	-175.6	-174.5	0	0	0	109.2	V452 F459 N460 A461 M464	Y431-V452 HydrophobicContact CD1-CB 3.53Å; Y431-V452 HydrophobicContact CD1-CG1 3.72Å; Y431-V452 HydrophobicContact CD1-CG2 3.79Å; Y431-V452 HydrophobicContact CD2-CB 4.45Å; Y431-V452 HydrophobicContact CD2-CG2 4.13Å; Y431-V452 HydrophobicContact CE1-CB 4.03Å; Y431-V452 HydrophobicContact CE1-CG1 4.02Å; Y431-V452 HydrophobicContact CE1-CG2 3.85Å; Y431-V452 HydrophobicContact CE2-CG2 4.17Å; Y431-V452 HydrophobicContact CG-CB 3.75Å; Y431-V452 HydrophobicContact CG-CG1 4.44Å; Y431-V452 HydrophobicContact CG-CG2 3.92Å; Y431-V452 PolarHBondContact O-N 3.1Å; Y431-F459 WeakPolarHBondContact CE1-O 3.43Å; Y431-F459 PolarHBondContact OH-O 2.96Å; Y431-N460 PolarHBondContact OH-O 2.97Å; Y431-A461 HydrophobicContact CE2-CB 4.27Å; Y431-A461 VanDerWaalsContact OH-CA 3.28Å; Y431-A461 WeakPolarHBondContact OH-CA 3.38Å; Y431-A461 PolarHBondContact OH-N 2.81Å; Y431-M464 WeakPolarHBondContact OH-CB 3.25Å
432	D	97.3	Very high	93.4	Very high	8 Å²	8	57 Å²	57	4%	0.043	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.9	179.1	71.1	-45.2	0	0	0	113.7	T426 S427 K449 Y450 N451	T426-D432 WeakPolarHBondContact CB-OD1 3.48Å; T426-D432 WeakPolarHBondContact CG2-O 3.4Å; S427-D432 WeakPolarHBondContact CB-OD1 3.31Å; S427-D432 PolarHBondContact N-OD1 2.87Å; S427-D432 PolarHBondContact N-OD2 3.06Å; S427-D432 PolarHBondContact OG-OD1 3.19Å; D432-K449 WeakPolarHBondContact OD2-CE 3.45Å; D432-K449 IonicContact OD2-NZ 3.79Å; D432-K449 PolarHBondContact OD2-NZ 2.61Å; D432-Y450 CarbonylContact C-O 3.58Å; D432-Y450 WeakPolarHBondContact CA-O 3.34Å; D432-Y450 VanDerWaalsContact CB-O 3.25Å; D432-Y450 WeakPolarHBondContact CB-O 3.34Å; D432-N451 HydrophobicContact CB-CB 4.41Å; D432-N451 WeakPolarHBondContact CB-OD1 3.48Å
433	F	98.3	Very high	93.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.5	176.8	59.2	-88.7	0	0	0	111.3	V420 D422 L435 Y450 M464 Q465 A468	V420-F433 HydrophobicContact CG1-CB 4.46Å; D422-F433 HydrophobicContact CB-CB 3.81Å; F433-L435 HydrophobicContact CD2-CB 4.24Å; F433-L435 HydrophobicContact CE2-CB 4.23Å; F433-Y450 HydrophobicContact CD2-CD2 4Å; F433-Y450 HydrophobicContact CD2-CG 4.27Å; F433-Y450 HydrophobicContact CE1-CG 4.48Å; F433-Y450 HydrophobicContact CE2-CD1 4.34Å; F433-Y450 AromaticContact CE2-CD2 3.57Å; F433-Y450 HydrophobicContact CE2-CD2 3.57Å; F433-Y450 HydrophobicContact CE2-CE2 4.33Å; F433-Y450 AromaticContact CE2-CG 3.59Å; F433-Y450 HydrophobicContact CE2-CG 3.59Å; F433-Y450 VanDerWaalsContact CZ-CB 3.48Å; F433-Y450 HydrophobicContact CZ-CD1 4.23Å; F433-Y450 HydrophobicContact CZ-CD2 4.2Å; F433-Y450 AromaticContact CZ-CG 3.72Å; F433-Y450 HydrophobicContact CZ-CG 3.72Å; F433-Y450 PolarHBondContact N-O 2.88Å; F433-Y450 PolarHBondContact O-N 3.21Å; F433-M464 HydrophobicContact CE1-CG 4.05Å; F433-M464 HydrophobicContact CZ-CG 4.26Å; F433-Q465 HydrophobicContact CD1-CG 3.91Å; F433-Q465 HydrophobicContact CD2-CG 3.73Å; F433-Q465 HydrophobicContact CE1-CG 3.96Å; F433-Q465 HydrophobicContact CE2-CB 4.32Å; F433-Q465 HydrophobicContact CE2-CG 3.78Å; F433-Q465 HydrophobicContact CG-CG 3.79Å; F433-Q465 HydrophobicContact CZ-CB 4.46Å; F433-Q465 HydrophobicContact CZ-CG 3.89Å; F433-A468 HydrophobicContact CE2-CB 4.43Å; F433-A468 HydrophobicContact CZ-CB 4.3Å
434	Y	98.3	Very high	93	Very high	21 Å²	21	52.5 Å²	52.5	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.8	167.3	-63.1	-91	0	0	0	109.8	H396 A398 F400 V420 I421 V425 T426 A448 K449	H396-Y434 AromaticContact CE1-CD1 3.93Å; H396-Y434 AromaticContact CE1-CE1 3.67Å; H396-Y434 AromaticContact NE2-CD1 3.96Å; H396-Y434 AromaticContact NE2-CE1 3.84Å; A398-Y434 HydrophobicContact CB-CE1 3.8Å; F400-Y434 AromaticContact CE2-CD1 3.99Å; F400-Y434 HydrophobicContact CE2-CD1 3.99Å; F400-Y434 HydrophobicContact CE2-CD2 4.49Å; F400-Y434 HydrophobicContact CE2-CE1 4.45Å; F400-Y434 AromaticContact CE2-CG 3.99Å; F400-Y434 HydrophobicContact CE2-CG 3.99Å; F400-Y434 HydrophobicContact CZ-CD1 4.17Å; F400-Y434 AromaticContact CZ-CD2 3.89Å; F400-Y434 HydrophobicContact CZ-CD2 3.89Å; F400-Y434 HydrophobicContact CZ-CE1 4.46Å; F400-Y434 HydrophobicContact CZ-CE2 4.23Å; F400-Y434 AromaticContact CZ-CG 3.86Å; F400-Y434 HydrophobicContact CZ-CG 3.86Å; V420-Y434 CarbonylContact C-O 3.56Å; V420-Y434 VanDerWaalsContact CA-O 3.26Å; V420-Y434 WeakPolarHBondContact CA-O 3.47Å; I421-Y434 PolarHBondContact N-O 2.79Å; I421-Y434 PolarHBondContact O-N 2.79Å; V425-Y434 HydrophobicContact CG2-CE2 4.28Å; T426-Y434 HydrophobicContact CG2-CD2 4.4Å; T426-Y434 HydrophobicContact CG2-CE2 4.44Å; Y434-A448 CarbonylContact C-O 3.47Å; Y434-A448 WeakPolarHBondContact CA-O 3.45Å; Y434-K449 HydrophobicContact CD1-CB 3.85Å; Y434-K449 HydrophobicContact CD1-CG 4.23Å; Y434-K449 HydrophobicContact CE1-CB 3.68Å; Y434-K449 HydrophobicContact CE1-CD 4.02Å; Y434-K449 HydrophobicContact CE1-CG 3.89Å
435	L	98.2	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.6	173.6	166.4	67.4	0	0	0	110.5	T419 V420 F433 S437 P447 A448 Y450 A468 Y469	T419-L435 WeakPolarHBondContact O-CA 3.31Å; V420-L435 HydrophobicContact CG2-CB 4.42Å; V420-L435 HydrophobicContact CG2-CD1 3.63Å; F433-L435 HydrophobicContact CD2-CB 4.24Å; F433-L435 HydrophobicContact CE2-CB 4.23Å; L435-S437 PolarHBondContact O-N 2.72Å; L435-P447 WeakPolarHBondContact O-CA 3.39Å; L435-A448 PolarHBondContact N-O 2.87Å; L435-A448 PolarHBondContact O-N 2.87Å; L435-Y450 HydrophobicContact CB-CD2 4.16Å; L435-Y450 HydrophobicContact CB-CE2 3.72Å; L435-Y450 HydrophobicContact CD2-CE2 4.15Å; L435-Y450 HydrophobicContact CG-CE2 4.39Å; L435-A468 HydrophobicContact CD2-CB 4.11Å; L435-Y469 HydrophobicContact CD1-CD2 4.17Å; L435-Y469 HydrophobicContact CD1-CG 4.31Å; L435-Y469 HydrophobicContact CD2-CD2 4.48Å
436	C	97.4	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	78	170.6	-166.7	0	0	0	0	109.7	M415 A417 G418 T419 H438 P447	M415-C436 HydrophobicContact CE-CB 4.04Å; A417-C436 CarbonylContact C-O 3.55Å; A417-C436 WeakPolarHBondContact CA-O 3.45Å; G418-C436 PolarHBondContact N-O 2.71Å; T419-C436 PolarHBondContact O-N 2.6Å; C436-H438 VanDerWaalsContact C-N 3.29Å; C436-H438 PolarHBondContact O-N 2.98Å; C436-P447 HydrophobicContact CB-CB 4Å; C436-P447 HydrophobicContact CB-CG 3.86Å
437	S	97.2	Very high	93	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.252	C	S	.	.			trans	-74.3	-10.7	-174.2	54.3	0	0	0	0	115.4	L435 C472 S481 V482 S483	L435-S437 PolarHBondContact O-N 2.72Å; S437-C472 WeakPolarHBondContact CB-SG 3.5Å; S437-C472 PolarHBondContact OG-SG 3.15Å; S437-S481 VanDerWaalsContact O-CB 3.23Å; S437-S481 WeakPolarHBondContact O-CB 3.44Å; S437-S481 PolarHBondContact O-OG 3.41Å; S437-V482 WeakPolarHBondContact CB-O 3.4Å; S437-V482 PolarHBondContact OG-O 2.89Å; S437-S483 VanDerWaalsContact OG-CA 3.31Å; S437-S483 WeakPolarHBondContact OG-CA 3.5Å; S437-S483 PolarHBondContact OG-O 3.39Å
438	H	95.5	Very high	93.3	Very high	35 Å²	35	41.5 Å²	41.5	16%	0.162	24%	0.235	C	C	.	.	S	Bend	trans	-122.9	154.7	-169.7	63.9	-71.8	0	0	0	112.4	C436 K446 S481 S483	C436-H438 VanDerWaalsContact C-N 3.29Å; C436-H438 PolarHBondContact O-N 2.98Å; H438-K446 PolarHBondContact CE1-O 2.62Å; H438-S481 WeakPolarHBondContact CB-O 3.25Å; H438-S483 WeakPolarHBondContact ND1-CA 3.36Å; H438-S483 WeakPolarHBondContact ND1-CB 3.42Å
439	T	93.9	Very high	93.7	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.147	20%	0.2	C	C	.	.			trans	-71.7	128.2	168	-18.3	0	0	0	0	110.6	N110 V409 I441 R480	N110-T439 WeakPolarHBondContact O-CB 3.2Å; N110-T439 PolarHBondContact O-OG1 3.39Å; V409-T439 HydrophobicContact CG1-CG2 4.18Å; T439-I441 PolarHBondContact O-N 3.34Å; T439-I441 VanDerWaalsContact O-N 3.11Å; T439-R480 PolarHBondContact OG1-NH2 3.31Å
440	G	91	Very high	94.4	Very high	7 Å²	7	29.7 Å²	29.7	7%	0.072	16%	0.157	C	C	.	.			trans	-74.1	96.6	172.5	0	0	0	0	0	112.3	N414 S445	N414-G440 PolarHBondContact ND2-O 3.43Å; G440-S445 WeakPolarHBondContact CA-OG 3.29Å
441	I	87.4	Confident	94.9	Very high	97 Å²	97	28.1 Å²	28.1	50%	0.497	14%	0.139	S	C	.	.			trans	-69.5	-44	-179.3	-56	175.9	0	0	0	111.4	T439	T439-I441 PolarHBondContact O-N 3.34Å; T439-I441 VanDerWaalsContact O-N 3.11Å
442	H	84.7	Confident	95	Very high	161 Å²	161	25.6 Å²	25.6	75%	0.745	13%	0.131	S	C	*	.	S	Bend	trans	-139.2	140.5	-176.8	-68.1	-53.6	0	0	0	110.5
443	G	90.8	Very high	95	Very high	15 Å²	15	27.4 Å²	27.4	16%	0.155	14%	0.14	C	C	.	.	S	Bend	trans	65.3	-159.2	-180	0	0	0	0	0	113.3	M47 N414	M47-G443 CarbonylContact O-C 3.15Å; M47-G443 WeakPolarHBondContact O-CA 3.5Å; N414-G443 PolarHBondContact ND2-O 3.35Å
444	T	91.7	Very high	95	Very high	20 Å²	20	30.7 Å²	30.7	12%	0.123	15%	0.153	C	C	.	.	S	Bend	trans	-86.4	127.6	174.1	-41.7	0	0	0	0	111.5	M47 A49 R52 N414	M47-T444 PolarHBondContact O-N 3.09Å; M47-T444 PolarHBondContact O-OG1 2.84Å; A49-T444 HydrophobicContact CB-CG2 3.72Å; R52-T444 WeakPolarHBondContact CB-OG1 3.38Å; R52-T444 WeakPolarHBondContact CD-OG1 3.39Å; N414-T444 WeakPolarHBondContact OD1-CA 3.24Å
445	S	93.1	Very high	95	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.063	16%	0.157	C	C	.	.			trans	-57.2	148.5	174.1	-71.5	0	0	0	0	111.5	N414 G440	N414-S445 VanDerWaalsContact CG-OG 3.32Å; N414-S445 PolarHBondContact OD1-N 2.79Å; N414-S445 PolarHBondContact OD1-OG 3.31Å; G440-S445 WeakPolarHBondContact CA-OG 3.29Å
446	K	93.9	Very high	95	Very high	98 Å²	98	34.3 Å²	34.3	43%	0.426	17%	0.173	S	C	.	.			trans	-115.2	96	172.1	-60.4	-173.1	-174.8	-178.7	0	108	H438	H438-K446 PolarHBondContact CE1-O 2.62Å
447	P	96.3	Very high	95	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.013	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-56.3	142.4	170	-23.3	37	0	0	0	108.7	H396 F400 M415 L435 C436	H396-P447 PolarHBondContact CE1-O 3.23Å; H396-P447 PolarHBondContact NE2-O 3.49Å; F400-P447 HydrophobicContact CD2-CB 4.5Å; F400-P447 HydrophobicContact CD2-CG 3.67Å; F400-P447 HydrophobicContact CE2-CB 4.44Å; F400-P447 HydrophobicContact CE2-CG 4.08Å; M415-P447 HydrophobicContact CE-CG 3.63Å; L435-P447 WeakPolarHBondContact O-CA 3.39Å; C436-P447 HydrophobicContact CB-CB 4Å; C436-P447 HydrophobicContact CB-CG 3.86Å
448	A	97.6	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.8	173.2	0	0	0	0	0	109.2	V392 Y434 L435 Y450 I484	V392-A448 HydrophobicContact CG1-CB 4.16Å; Y434-A448 CarbonylContact C-O 3.47Å; Y434-A448 WeakPolarHBondContact CA-O 3.45Å; L435-A448 PolarHBondContact N-O 2.87Å; L435-A448 PolarHBondContact O-N 2.87Å; A448-Y450 HydrophobicContact CB-CD2 4.49Å; A448-Y450 HydrophobicContact CB-CE2 3.73Å; A448-Y450 WeakPolarHBondContact O-CD2 3.48Å; A448-Y450 WeakPolarHBondContact O-CE2 3.47Å; A448-I484 HydrophobicContact CB-CG2 3.86Å
449	K	97.7	Very high	95.1	Very high	17 Å²	17	41 Å²	41	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.1	170.8	-171.2	-178.9	178.9	-176.8	0	109.2	E358 V392 Q393 D432 Y434 N451	E358-K449 IonicContact OE1-NZ 2.74Å; E358-K449 PolarHBondContact OE1-NZ 3.49Å; V392-K449 CarbonylContact C-O 3.56Å; V392-K449 WeakPolarHBondContact CA-O 3.3Å; Q393-K449 HydrophobicContact CB-CB 4.29Å; Q393-K449 PolarHBondContact N-O 3.38Å; Q393-K449 PolarHBondContact O-N 3.43Å; D432-K449 WeakPolarHBondContact OD2-CE 3.45Å; D432-K449 IonicContact OD2-NZ 3.79Å; D432-K449 PolarHBondContact OD2-NZ 2.61Å; Y434-K449 HydrophobicContact CD1-CB 3.85Å; Y434-K449 HydrophobicContact CD1-CG 4.23Å; Y434-K449 HydrophobicContact CE1-CB 3.68Å; Y434-K449 HydrophobicContact CE1-CD 4.02Å; Y434-K449 HydrophobicContact CE1-CG 3.89Å; K449-N451 VanDerWaalsContact CE-OD1 3.32Å; K449-N451 WeakPolarHBondContact CE-OD1 3.39Å
450	Y	98.5	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.6	176.9	-65	-103.3	0	0	0	107.4	F352 V390 V391 V392 D432 F433 L435 A448 A468 P485	F352-Y450 HydrophobicContact CD1-CD1 4.44Å; F352-Y450 HydrophobicContact CD1-CE1 4.39Å; F352-Y450 HydrophobicContact CE1-CD1 4.21Å; F352-Y450 HydrophobicContact CE1-CE1 4.18Å; V390-Y450 HydrophobicContact CG1-CD1 4Å; V391-Y450 CarbonylContact O-C 3.59Å; V391-Y450 WeakPolarHBondContact O-CA 3.41Å; V392-Y450 HydrophobicContact CB-CE1 4.49Å; V392-Y450 HydrophobicContact CG1-CD1 4.42Å; V392-Y450 HydrophobicContact CG1-CE1 4Å; V392-Y450 HydrophobicContact CG2-CD1 3.78Å; V392-Y450 HydrophobicContact CG2-CE1 3.72Å; D432-Y450 CarbonylContact C-O 3.58Å; D432-Y450 WeakPolarHBondContact CA-O 3.34Å; D432-Y450 VanDerWaalsContact CB-O 3.25Å; D432-Y450 WeakPolarHBondContact CB-O 3.34Å; F433-Y450 HydrophobicContact CD2-CD2 4Å; F433-Y450 HydrophobicContact CD2-CG 4.27Å; F433-Y450 HydrophobicContact CE1-CG 4.48Å; F433-Y450 HydrophobicContact CE2-CD1 4.34Å; F433-Y450 AromaticContact CE2-CD2 3.57Å; F433-Y450 HydrophobicContact CE2-CD2 3.57Å; F433-Y450 HydrophobicContact CE2-CE2 4.33Å; F433-Y450 AromaticContact CE2-CG 3.59Å; F433-Y450 HydrophobicContact CE2-CG 3.59Å; F433-Y450 VanDerWaalsContact CZ-CB 3.48Å; F433-Y450 HydrophobicContact CZ-CD1 4.23Å; F433-Y450 HydrophobicContact CZ-CD2 4.2Å; F433-Y450 AromaticContact CZ-CG 3.72Å; F433-Y450 HydrophobicContact CZ-CG 3.72Å; F433-Y450 PolarHBondContact N-O 2.88Å; F433-Y450 PolarHBondContact O-N 3.21Å; L435-Y450 HydrophobicContact CB-CD2 4.16Å; L435-Y450 HydrophobicContact CB-CE2 3.72Å; L435-Y450 HydrophobicContact CD2-CE2 4.15Å; L435-Y450 HydrophobicContact CG-CE2 4.39Å; A448-Y450 HydrophobicContact CB-CD2 4.49Å; A448-Y450 HydrophobicContact CB-CE2 3.73Å; A448-Y450 WeakPolarHBondContact O-CD2 3.48Å; A448-Y450 WeakPolarHBondContact O-CE2 3.47Å; Y450-A468 HydrophobicContact CD1-CB 4.18Å; Y450-A468 HydrophobicContact CE1-CB 3.81Å; Y450-P485 HydrophobicContact CE1-CG 3.85Å; Y450-P485 WeakPolarHBondContact OH-CD 3.48Å
451	N	97.8	Very high	95.5	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112	175.1	-57.4	-95.6	0	0	0	107.9	F361 V390 V391 Q393 D432 K449 L453	F361-N451 HydrophobicContact CE2-CB 3.94Å; F361-N451 HydrophobicContact CZ-CB 4.13Å; V390-N451 CarbonylContact C-O 3.59Å; V390-N451 WeakPolarHBondContact CA-O 3.46Å; V391-N451 HydrophobicContact CB-CB 4.48Å; V391-N451 PolarHBondContact N-O 2.94Å; V391-N451 PolarHBondContact O-N 3.09Å; Q393-N451 PolarHBondContact OE1-ND2 3.09Å; Q393-N451 VanDerWaalsContact OE1-ND2 3.15Å; D432-N451 HydrophobicContact CB-CB 4.41Å; D432-N451 WeakPolarHBondContact CB-OD1 3.48Å; K449-N451 VanDerWaalsContact CE-OD1 3.32Å; K449-N451 WeakPolarHBondContact CE-OD1 3.39Å; N451-L453 HydrophobicContact CB-CD2 3.88Å; N451-L453 PolarHBondContact O-N 3.27Å
452	V	98.1	Very high	96	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104.4	173.4	-174	0	0	0	0	107.3	T388 V390 Y431 D455 M464	T388-V452 HydrophobicContact CG2-CG1 4.03Å; V390-V452 HydrophobicContact CG1-CG2 4.46Å; V390-V452 HydrophobicContact CG2-CG2 4.23Å; Y431-V452 HydrophobicContact CD1-CB 3.53Å; Y431-V452 HydrophobicContact CD1-CG1 3.72Å; Y431-V452 HydrophobicContact CD1-CG2 3.79Å; Y431-V452 HydrophobicContact CD2-CB 4.45Å; Y431-V452 HydrophobicContact CD2-CG2 4.13Å; Y431-V452 HydrophobicContact CE1-CB 4.03Å; Y431-V452 HydrophobicContact CE1-CG1 4.02Å; Y431-V452 HydrophobicContact CE1-CG2 3.85Å; Y431-V452 HydrophobicContact CE2-CG2 4.17Å; Y431-V452 HydrophobicContact CG-CB 3.75Å; Y431-V452 HydrophobicContact CG-CG1 4.44Å; Y431-V452 HydrophobicContact CG-CG2 3.92Å; Y431-V452 PolarHBondContact O-N 3.1Å; V452-D455 HydrophobicContact CG1-CB 4.01Å; V452-M464 HydrophobicContact CG2-CG 3.93Å
453	L	97.2	Very high	96.6	Very high	45 Å²	45	38.3 Å²	38.3	24%	0.236	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-19.8	-175.9	-56.4	-170	0	0	0	112.8	F361 L365 Y389 V391 N451	F361-L453 HydrophobicContact CB-CD1 3.79Å; F361-L453 HydrophobicContact CB-CD2 4.4Å; F361-L453 HydrophobicContact CD1-CD1 4.16Å; F361-L453 HydrophobicContact CD2-CD1 4.18Å; F361-L453 HydrophobicContact CD2-CD2 3.53Å; F361-L453 HydrophobicContact CE2-CD2 3.89Å; F361-L453 HydrophobicContact CG-CD1 3.79Å; F361-L453 HydrophobicContact CG-CD2 4.03Å; L365-L453 HydrophobicContact CB-CD1 4.43Å; L365-L453 HydrophobicContact CD1-CB 4.13Å; L365-L453 HydrophobicContact CD2-CB 4.05Å; Y389-L453 HydrophobicContact CD1-CB 4.11Å; Y389-L453 HydrophobicContact CD1-CD1 4.2Å; Y389-L453 HydrophobicContact CD1-CG 4.34Å; Y389-L453 HydrophobicContact CE1-CD1 4.08Å; Y389-L453 PolarHBondContact O-N 2.81Å; V391-L453 HydrophobicContact CG2-CD1 3.45Å; V391-L453 VanDerWaalsContact CG2-CD1 3.45Å; V391-L453 HydrophobicContact CG2-CG 3.99Å; N451-L453 HydrophobicContact CB-CD2 3.88Å; N451-L453 PolarHBondContact O-N 3.27Å
454	Y	98	Very high	97	Very high	69 Å²	69	37.6 Å²	37.6	27%	0.271	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	140.1	-178.2	-169.1	-90.3	0	0	0	109.9	L369 R373 T388 Y389 D456	L369-Y454 HydrophobicContact CD1-CD1 4.28Å; L369-Y454 HydrophobicContact CD2-CD1 3.78Å; L369-Y454 HydrophobicContact CD2-CD2 3.81Å; L369-Y454 HydrophobicContact CD2-CE1 4.12Å; L369-Y454 HydrophobicContact CD2-CE2 4.14Å; L369-Y454 HydrophobicContact CD2-CG 3.64Å; R373-Y454 PolarHBondContact NH2-OH 3.42Å; T388-Y454 CarbonylContact C-O 3.53Å; T388-Y454 WeakPolarHBondContact CA-O 3.1Å; Y389-Y454 PolarHBondContact N-O 2.94Å; Y454-D456 HydrophobicContact CE1-CB 4.32Å; Y454-D456 VanDerWaalsContact CE1-OD1 3.25Å; Y454-D456 WeakPolarHBondContact CE1-OD1 3.21Å; Y454-D456 VanDerWaalsContact CE1-OD2 3.29Å; Y454-D456 WeakPolarHBondContact CE1-OD2 3.33Å; Y454-D456 PolarHBondContact OH-OD1 3.29Å; Y454-D456 PolarHBondContact OH-OD2 3.08Å
455	D	98.2	Very high	97.3	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	96.8	-178.4	-172.2	24.1	0	0	0	113.5	T388 V452 N457 N458 F459	T388-D455 WeakPolarHBondContact CB-OD1 3.02Å; T388-D455 HydrophobicContact CG2-CB 4.1Å; T388-D455 WeakPolarHBondContact CG2-OD1 3.33Å; T388-D455 PolarHBondContact OG1-OD1 3.17Å; V452-D455 HydrophobicContact CG1-CB 4.01Å; D455-N457 VanDerWaalsContact C-N 3.29Å; D455-N457 WeakPolarHBondContact OD1-CB 3.23Å; D455-N457 PolarHBondContact OD1-N 3.11Å; D455-N458 PolarHBondContact OD1-N 3.19Å; D455-N458 WeakPolarHBondContact OD2-CA 3.48Å; D455-N458 PolarHBondContact OD2-N 2.72Å; D455-F459 PolarHBondContact OD2-N 3.1Å
456	D	98.5	Very high	97.5	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	19%	0.193	S	C	.	.	S	Bend	trans	-77.3	-15.9	169.4	-70.9	-31.9	0	0	0	112.1	R373 I387 Y454 N458	R373-D456 IonicContact NH2-OD1 3.68Å; R373-D456 IonicContact NH2-OD2 3.79Å; R373-D456 PolarHBondContact NH2-OD2 2.86Å; I387-D456 PolarHBondContact O-N 2.63Å; Y454-D456 HydrophobicContact CE1-CB 4.32Å; Y454-D456 VanDerWaalsContact CE1-OD1 3.25Å; Y454-D456 WeakPolarHBondContact CE1-OD1 3.21Å; Y454-D456 VanDerWaalsContact CE1-OD2 3.29Å; Y454-D456 WeakPolarHBondContact CE1-OD2 3.33Å; Y454-D456 PolarHBondContact OH-OD1 3.29Å; Y454-D456 PolarHBondContact OH-OD2 3.08Å; D456-N458 VanDerWaalsContact C-N 3.34Å
457	N	98.2	Very high	97.7	Very high	23 Å²	23	32 Å²	32	12%	0.123	17%	0.173	C	C	.	.	S	Bend	trans	-85.7	-7.7	-176.3	-63.6	-54.4	0	0	0	113.4	Q348 G386 T388 D455 F459	Q348-N457 WeakPolarHBondContact CG-ND2 3.25Å; Q348-N457 WeakPolarHBondContact CG-OD1 3.48Å; Q348-N457 PolarHBondContact OE1-OD1 2.83Å; G386-N457 VanDerWaalsContact C-ND2 3.32Å; G386-N457 VanDerWaalsContact C-OD1 3.3Å; G386-N457 VanDerWaalsContact CA-OD1 3.23Å; G386-N457 WeakPolarHBondContact CA-OD1 3.44Å; G386-N457 PolarHBondContact O-ND2 2.93Å; G386-N457 PolarHBondContact O-OD1 3.31Å; T388-N457 PolarHBondContact N-ND2 2.89Å; T388-N457 WeakPolarHBondContact OG1-CB 3.11Å; T388-N457 PolarHBondContact OG1-ND2 3.17Å; D455-N457 VanDerWaalsContact C-N 3.29Å; D455-N457 WeakPolarHBondContact OD1-CB 3.23Å; D455-N457 PolarHBondContact OD1-N 3.11Å; N457-F459 VanDerWaalsContact C-N 3.33Å; N457-F459 HydrophobicContact CB-CD2 3.89Å; N457-F459 HydrophobicContact CB-CE2 3.62Å; N457-F459 HydrophobicContact CB-CZ 4.04Å; N457-F459 PolarHBondContact O-N 2.59Å
458	N	97.3	Very high	97.8	Very high	140 Å²	140	32 Å²	32	75%	0.749	17%	0.172	S	C	*	.			trans	52	47.5	179.3	-60.2	-60.4	0	0	0	112.8	D455 D456 N460	D455-N458 PolarHBondContact OD1-N 3.19Å; D455-N458 WeakPolarHBondContact OD2-CA 3.48Å; D455-N458 PolarHBondContact OD2-N 2.72Å; D456-N458 VanDerWaalsContact C-N 3.34Å; N458-N460 PolarHBondContact O-N 3.38Å
459	F	97.9	Very high	97.8	Very high	12 Å²	12	32 Å²	32	5%	0.053	17%	0.173	C	C	.	.			trans	-67.3	129.9	171.9	-69.9	-55.6	0	0	0	110.3	I350 T388 Y431 D455 N457 T463 M464 I467	I350-F459 HydrophobicContact CD1-CE2 3.76Å; I350-F459 HydrophobicContact CD1-CZ 3.86Å; I350-F459 HydrophobicContact CG1-CE2 4.04Å; I350-F459 HydrophobicContact CG1-CZ 4.47Å; T388-F459 HydrophobicContact CG2-CD2 4.11Å; T388-F459 WeakPolarHBondContact OG1-CD2 3.44Å; T388-F459 WeakPolarHBondContact OG1-CE2 3.46Å; Y431-F459 WeakPolarHBondContact CE1-O 3.43Å; Y431-F459 PolarHBondContact OH-O 2.96Å; D455-F459 PolarHBondContact OD2-N 3.1Å; N457-F459 VanDerWaalsContact C-N 3.33Å; N457-F459 HydrophobicContact CB-CD2 3.89Å; N457-F459 HydrophobicContact CB-CE2 3.62Å; N457-F459 HydrophobicContact CB-CZ 4.04Å; N457-F459 PolarHBondContact O-N 2.59Å; F459-T463 HydrophobicContact CD1-CG2 3.34Å; F459-T463 HydrophobicContact CE1-CG2 3.75Å; F459-T463 HydrophobicContact CG-CG2 4.26Å; F459-M464 HydrophobicContact CB-CB 4.23Å; F459-M464 HydrophobicContact CD2-SD 4.26Å; F459-I467 HydrophobicContact CD1-CD1 4.3Å; F459-I467 HydrophobicContact CE1-CD1 3.8Å; F459-I467 HydrophobicContact CE2-CD1 4.38Å; F459-I467 HydrophobicContact CZ-CD1 3.83Å
460	N	96.9	Very high	97.8	Very high	92 Å²	92	32.3 Å²	32.3	49%	0.492	17%	0.173	S	C	.	.			trans	-75.5	165.1	165.2	67.2	53.5	0	0	0	110.5	Y431 N458 D462 T463 M464	Y431-N460 PolarHBondContact OH-O 2.97Å; N458-N460 PolarHBondContact O-N 3.38Å; N460-D462 VanDerWaalsContact C-N 3.34Å; N460-D462 PolarHBondContact O-N 3.45Å; N460-D462 PolarHBondContact OD1-N 3.19Å; N460-D462 VanDerWaalsContact OD1-N 3.16Å; N460-T463 PolarHBondContact ND2-OG1 2.79Å; N460-T463 PolarHBondContact O-N 3.25Å; N460-T463 VanDerWaalsContact O-N 3.16Å; N460-T463 PolarHBondContact OD1-N 2.9Å; N460-T463 PolarHBondContact OD1-OG1 2.83Å; N460-M464 PolarHBondContact O-N 3.28Å
461	A	96.7	Very high	97.7	Very high	38 Å²	38	32.3 Å²	32.3	31%	0.314	17%	0.173	S	C	.	.	H	α-helix	trans	-49.6	-50.9	-179	0	0	0	0	0	112.8	Y431 T463 M464 Q465	Y431-A461 HydrophobicContact CE2-CB 4.27Å; Y431-A461 VanDerWaalsContact OH-CA 3.28Å; Y431-A461 WeakPolarHBondContact OH-CA 3.38Å; Y431-A461 PolarHBondContact OH-N 2.81Å; A461-T463 PolarHBondContact O-N 2.8Å; A461-M464 PolarHBondContact O-N 3.49Å; A461-Q465 VanDerWaalsContact O-CB 3.27Å; A461-Q465 WeakPolarHBondContact O-CB 3.36Å; A461-Q465 WeakPolarHBondContact O-CG 3.48Å; A461-Q465 PolarHBondContact O-N 2.82Å; A461-Q465 PolarHBondContact O-OE1 2.89Å
462	D	97.1	Very high	97.7	Very high	88 Å²	88	31.8 Å²	31.8	47%	0.471	17%	0.171	S	C	.	.	H	α-helix	trans	-62.1	-42.1	-177.9	-70.8	-43.4	0	0	0	112.2	R88 N460 A466	R88-D462 IonicContact CZ-OD1 3.96Å; R88-D462 IonicContact NH1-OD1 2.72Å; R88-D462 PolarHBondContact NH1-OD1 2.75Å; R88-D462 IonicContact NH2-OD1 2.81Å; N460-D462 VanDerWaalsContact C-N 3.34Å; N460-D462 PolarHBondContact O-N 3.45Å; N460-D462 PolarHBondContact OD1-N 3.19Å; N460-D462 VanDerWaalsContact OD1-N 3.16Å; D462-A466 VanDerWaalsContact O-CB 3.23Å; D462-A466 WeakPolarHBondContact O-CB 3.31Å; D462-A466 PolarHBondContact O-N 2.97Å
463	T	97.8	Very high	97.5	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-48.7	178.8	-61.9	0	0	0	0	111.7	F266 N270 F459 N460 A461 Q465 A466 I467	F266-T463 HydrophobicContact CE2-CG2 4.08Å; F266-T463 HydrophobicContact CZ-CG2 3.95Å; N270-T463 HydrophobicContact CB-CG2 4.3Å; N270-T463 VanDerWaalsContact OD1-CG2 3.29Å; N270-T463 WeakPolarHBondContact OD1-CG2 3.41Å; F459-T463 HydrophobicContact CD1-CG2 3.34Å; F459-T463 HydrophobicContact CE1-CG2 3.75Å; F459-T463 HydrophobicContact CG-CG2 4.26Å; N460-T463 PolarHBondContact ND2-OG1 2.79Å; N460-T463 PolarHBondContact O-N 3.25Å; N460-T463 VanDerWaalsContact O-N 3.16Å; N460-T463 PolarHBondContact OD1-N 2.9Å; N460-T463 PolarHBondContact OD1-OG1 2.83Å; A461-T463 PolarHBondContact O-N 2.8Å; T463-Q465 PolarHBondContact O-N 2.99Å; T463-A466 PolarHBondContact O-N 3.33Å; T463-I467 HydrophobicContact CG2-CD1 3.82Å; T463-I467 HydrophobicContact CG2-CG1 4.42Å; T463-I467 VanDerWaalsContact O-CG1 3.31Å; T463-I467 WeakPolarHBondContact O-CG1 3.33Å; T463-I467 PolarHBondContact O-N 3.11Å
464	M	98.4	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-39.7	-179	-170.9	66.4	-97.1	0	0	111.8	I350 F352 T388 V390 Y431 F433 V452 F459 N460 A461 I467 A468	I350-M464 HydrophobicContact CG2-CE 4.37Å; F352-M464 HydrophobicContact CE1-CE 4.03Å; F352-M464 HydrophobicContact CZ-CE 3.65Å; T388-M464 HydrophobicContact CG2-SD 4.03Å; V390-M464 HydrophobicContact CG2-CE 4.36Å; V390-M464 HydrophobicContact CG2-SD 3.87Å; Y431-M464 WeakPolarHBondContact OH-CB 3.25Å; F433-M464 HydrophobicContact CE1-CG 4.05Å; F433-M464 HydrophobicContact CZ-CG 4.26Å; V452-M464 HydrophobicContact CG2-CG 3.93Å; F459-M464 HydrophobicContact CB-CB 4.23Å; F459-M464 HydrophobicContact CD2-SD 4.26Å; N460-M464 PolarHBondContact O-N 3.28Å; A461-M464 PolarHBondContact O-N 3.49Å; M464-I467 HydrophobicContact CE-CB 4.02Å; M464-I467 HydrophobicContact CE-CG2 3.91Å; M464-A468 WeakPolarHBondContact O-CB 3.39Å; M464-A468 PolarHBondContact O-N 3.29Å
465	Q	98.5	Very high	97.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-43.5	176.7	-69.4	162.2	6.6	0	0	111.5	L90 V420 D422 F433 A461 T463 A468 Y469	L90-Q465 HydrophobicContact CD1-CB 4.16Å; V420-Q465 HydrophobicContact CG1-CG 4.06Å; V420-Q465 HydrophobicContact CG2-CB 4.43Å; D422-Q465 PolarHBondContact OD2-NE2 3.46Å; F433-Q465 HydrophobicContact CD1-CG 3.91Å; F433-Q465 HydrophobicContact CD2-CG 3.73Å; F433-Q465 HydrophobicContact CE1-CG 3.96Å; F433-Q465 HydrophobicContact CE2-CB 4.32Å; F433-Q465 HydrophobicContact CE2-CG 3.78Å; F433-Q465 HydrophobicContact CG-CG 3.79Å; F433-Q465 HydrophobicContact CZ-CB 4.46Å; F433-Q465 HydrophobicContact CZ-CG 3.89Å; A461-Q465 VanDerWaalsContact O-CB 3.27Å; A461-Q465 WeakPolarHBondContact O-CB 3.36Å; A461-Q465 WeakPolarHBondContact O-CG 3.48Å; A461-Q465 PolarHBondContact O-N 2.82Å; A461-Q465 PolarHBondContact O-OE1 2.89Å; T463-Q465 PolarHBondContact O-N 2.99Å; Q465-A468 PolarHBondContact O-N 3.31Å; Q465-Y469 WeakPolarHBondContact O-CB 3.37Å; Q465-Y469 PolarHBondContact O-N 3.2Å
466	A	97.6	Very high	96.9	Very high	9 Å²	9	26 Å²	26	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-46.7	176.7	0	0	0	0	0	111.9	F266 D462 T463 A468 Y469 Y470	F266-A466 HydrophobicContact CE1-CB 3.91Å; F266-A466 HydrophobicContact CE2-CB 4.05Å; F266-A466 HydrophobicContact CZ-CB 3.45Å; F266-A466 VanDerWaalsContact CZ-CB 3.45Å; D462-A466 VanDerWaalsContact O-CB 3.23Å; D462-A466 WeakPolarHBondContact O-CB 3.31Å; D462-A466 PolarHBondContact O-N 2.97Å; T463-A466 PolarHBondContact O-N 3.33Å; A466-A468 PolarHBondContact O-N 2.79Å; A466-Y469 PolarHBondContact O-N 3.15Å; A466-Y469 VanDerWaalsContact O-N 3.16Å; A466-Y470 HydrophobicContact CB-CE2 4.18Å; A466-Y470 WeakPolarHBondContact O-CB 3.23Å; A466-Y470 VanDerWaalsContact O-CD1 3.29Å; A466-Y470 WeakPolarHBondContact O-CD1 3.49Å; A466-Y470 PolarHBondContact O-N 2.84Å
467	I	97.8	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-50.2	175	-70	168.3	0	0	0	110.5	F266 N270 L271 I350 F459 T463 M464 Y469 Y470 L471	F266-I467 HydrophobicContact CE1-CG1 4.1Å; F266-I467 HydrophobicContact CZ-CG1 4.11Å; N270-I467 HydrophobicContact CB-CD1 4.18Å; L271-I467 HydrophobicContact CD2-CD1 4.35Å; L271-I467 HydrophobicContact CD2-CG1 4.37Å; L271-I467 HydrophobicContact CD2-CG2 4.23Å; I350-I467 HydrophobicContact CD1-CD1 4.09Å; I350-I467 HydrophobicContact CD1-CG2 4.2Å; F459-I467 HydrophobicContact CD1-CD1 4.3Å; F459-I467 HydrophobicContact CE1-CD1 3.8Å; F459-I467 HydrophobicContact CE2-CD1 4.38Å; F459-I467 HydrophobicContact CZ-CD1 3.83Å; T463-I467 HydrophobicContact CG2-CD1 3.82Å; T463-I467 HydrophobicContact CG2-CG1 4.42Å; T463-I467 VanDerWaalsContact O-CG1 3.31Å; T463-I467 WeakPolarHBondContact O-CG1 3.33Å; T463-I467 PolarHBondContact O-N 3.11Å; M464-I467 HydrophobicContact CE-CB 4.02Å; M464-I467 HydrophobicContact CE-CG2 3.91Å; I467-Y469 VanDerWaalsContact C-N 3.28Å; I467-Y469 PolarHBondContact O-N 2.68Å; I467-Y470 PolarHBondContact O-N 3.04Å; I467-L471 HydrophobicContact CG2-CD1 3.74Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CB 3.47Å; I467-L471 VanDerWaalsContact O-CG 3.27Å; I467-L471 WeakPolarHBondContact O-CG 3.49Å; I467-L471 PolarHBondContact O-N 2.86Å
468	A	98.2	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-40.1	178.9	0	0	0	0	0	112.1	F352 F433 L435 Y450 M464 Q465 A466 C472	F352-A468 HydrophobicContact CE1-CB 4.3Å; F352-A468 HydrophobicContact CZ-CB 4.46Å; F433-A468 HydrophobicContact CE2-CB 4.43Å; F433-A468 HydrophobicContact CZ-CB 4.3Å; L435-A468 HydrophobicContact CD2-CB 4.11Å; Y450-A468 HydrophobicContact CD1-CB 4.18Å; Y450-A468 HydrophobicContact CE1-CB 3.81Å; M464-A468 WeakPolarHBondContact O-CB 3.39Å; M464-A468 PolarHBondContact O-N 3.29Å; Q465-A468 PolarHBondContact O-N 3.31Å; A466-A468 PolarHBondContact O-N 2.79Å; A468-C472 PolarHBondContact O-SG 3.04Å
469	Y	97.8	Very high	96.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-40.7	177.3	-174.4	-141.5	0	0	0	112.7	L90 P92 A417 G418 L435 Q465 A466 I467 C472 H473	L90-Y469 HydrophobicContact CB-CD1 3.67Å; L90-Y469 HydrophobicContact CB-CE1 3.94Å; L90-Y469 HydrophobicContact CD1-CD1 4.06Å; L90-Y469 HydrophobicContact CD1-CG 4.31Å; P92-Y469 HydrophobicContact CB-CE1 4.46Å; A417-Y469 PolarHBondContact O-OH 2.79Å; G418-Y469 PolarHBondContact N-OH 3.39Å; L435-Y469 HydrophobicContact CD1-CD2 4.17Å; L435-Y469 HydrophobicContact CD1-CG 4.31Å; L435-Y469 HydrophobicContact CD2-CD2 4.48Å; Q465-Y469 WeakPolarHBondContact O-CB 3.37Å; Q465-Y469 PolarHBondContact O-N 3.2Å; A466-Y469 PolarHBondContact O-N 3.15Å; A466-Y469 VanDerWaalsContact O-N 3.16Å; I467-Y469 VanDerWaalsContact C-N 3.28Å; I467-Y469 PolarHBondContact O-N 2.68Å; Y469-C472 VanDerWaalsContact O-CB 3.24Å; Y469-C472 WeakPolarHBondContact O-CB 3.4Å; Y469-C472 PolarHBondContact O-N 3.45Å; Y469-C472 VanDerWaalsContact O-N 3.11Å; Y469-H473 AromaticContact CD2-CE1 3.77Å; Y469-H473 AromaticContact CE1-CE1 3.99Å; Y469-H473 AromaticContact CE2-CE1 3.45Å; Y469-H473 VanDerWaalsContact CE2-CE1 3.45Å; Y469-H473 WeakPolarHBondContact CE2-CE1 3.32Å; Y469-H473 AromaticContact CZ-CE1 3.59Å; Y469-H473 AromaticContact CZ-NE2 3.98Å; Y469-H473 PolarHBondContact O-CE1 2.83Å; Y469-H473 VanDerWaalsContact O-CE1 3.31Å; Y469-H473 PolarHBondContact O-ND1 2.76Å
470	Y	96.6	Very high	96.1	Very high	22 Å²	22	25 Å²	25	9%	0.086	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-40.7	-177.5	-64.3	-6.9	0	0	0	111.4	L93 F266 V267 A466 I467 C472 H473	L93-Y470 HydrophobicContact CB-CD1 3.62Å; L93-Y470 HydrophobicContact CB-CD2 4.21Å; L93-Y470 HydrophobicContact CB-CE1 3.76Å; L93-Y470 HydrophobicContact CB-CE2 4.33Å; L93-Y470 HydrophobicContact CB-CG 3.84Å; L93-Y470 HydrophobicContact CD1-CD1 4.42Å; L93-Y470 HydrophobicContact CD1-CD2 3.64Å; L93-Y470 HydrophobicContact CD1-CE1 4.15Å; L93-Y470 HydrophobicContact CD1-CE2 3.31Å; L93-Y470 HydrophobicContact CD1-CG 4.18Å; L93-Y470 HydrophobicContact CD2-CD2 4.36Å; L93-Y470 HydrophobicContact CD2-CG 4.47Å; L93-Y470 HydrophobicContact CG-CD2 4.27Å; L93-Y470 HydrophobicContact CG-CE2 4.31Å; L93-Y470 HydrophobicContact CG-CG 4.36Å; F266-Y470 AromaticContact CD1-CD2 4Å; F266-Y470 HydrophobicContact CD1-CD2 4Å; F266-Y470 AromaticContact CD1-CE2 3.5Å; F266-Y470 HydrophobicContact CD1-CE2 3.5Å; F266-Y470 VanDerWaalsContact CD1-CE2 3.5Å; F266-Y470 AromaticContact CE1-CD2 3.86Å; F266-Y470 HydrophobicContact CE1-CD2 3.86Å; F266-Y470 AromaticContact CE1-CE2 3.61Å; F266-Y470 HydrophobicContact CE1-CE2 3.61Å; F266-Y470 HydrophobicContact CG-CE2 4.38Å; V267-Y470 HydrophobicContact CG2-CD2 4.34Å; A466-Y470 HydrophobicContact CB-CE2 4.18Å; A466-Y470 WeakPolarHBondContact O-CB 3.23Å; A466-Y470 VanDerWaalsContact O-CD1 3.29Å; A466-Y470 WeakPolarHBondContact O-CD1 3.49Å; A466-Y470 PolarHBondContact O-N 2.84Å; I467-Y470 PolarHBondContact O-N 3.04Å; Y470-C472 PolarHBondContact O-N 3.24Å; Y470-C472 VanDerWaalsContact O-N 3.1Å; Y470-H473 WeakPolarHBondContact O-CB 3.5Å; Y470-H473 PolarHBondContact O-N 3.15Å; Y470-H473 PolarHBondContact O-ND1 3.2Å
471	L	97.2	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.6	173.8	-65.6	172.1	0	0	0	113.1	V278 C307 F352 I467 H473 I474 P485 A486	V278-L471 HydrophobicContact CG1-CD1 3.76Å; V278-L471 HydrophobicContact CG2-CD1 4.48Å; V278-L471 HydrophobicContact CG2-CD2 4.47Å; C307-L471 HydrophobicContact CB-CD2 4.36Å; F352-L471 HydrophobicContact CD2-CD1 4.4Å; F352-L471 HydrophobicContact CE2-CD1 3.44Å; F352-L471 VanDerWaalsContact CE2-CD1 3.44Å; F352-L471 HydrophobicContact CZ-CD1 3.9Å; I467-L471 HydrophobicContact CG2-CD1 3.74Å; I467-L471 HydrophobicContact CG2-CG 4.32Å; I467-L471 WeakPolarHBondContact O-CB 3.47Å; I467-L471 VanDerWaalsContact O-CG 3.27Å; I467-L471 WeakPolarHBondContact O-CG 3.49Å; I467-L471 PolarHBondContact O-N 2.86Å; L471-H473 PolarHBondContact O-N 3.34Å; L471-I474 HydrophobicContact CD2-CD1 3.66Å; L471-I474 HydrophobicContact CD2-CG1 4.5Å; L471-I474 VanDerWaalsContact O-CG1 3.28Å; L471-I474 WeakPolarHBondContact O-CG1 3.4Å; L471-P485 HydrophobicContact CB-CB 3.84Å; L471-A486 VanDerWaalsContact O-CB 3.26Å; L471-A486 WeakPolarHBondContact O-CB 3.4Å; L471-A486 PolarHBondContact O-N 3.31Å
472	C	97.2	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.3	171.2	-64.5	0	0	0	0	113.6	S437 A468 Y469 Y470 S481 V482	S437-C472 WeakPolarHBondContact CB-SG 3.5Å; S437-C472 PolarHBondContact OG-SG 3.15Å; A468-C472 PolarHBondContact O-SG 3.04Å; Y469-C472 VanDerWaalsContact O-CB 3.24Å; Y469-C472 WeakPolarHBondContact O-CB 3.4Å; Y469-C472 PolarHBondContact O-N 3.45Å; Y469-C472 VanDerWaalsContact O-N 3.11Å; Y470-C472 PolarHBondContact O-N 3.24Å; Y470-C472 VanDerWaalsContact O-N 3.1Å; C472-S481 VanDerWaalsContact CB-OG 3.31Å; C472-S481 WeakPolarHBondContact CB-OG 3.49Å; C472-S481 WeakPolarHBondContact O-CA 3.43Å; C472-V482 HydrophobicContact CB-CG2 4.4Å; C472-V482 WeakPolarHBondContact CB-O 3.37Å; C472-V482 VanDerWaalsContact O-CG2 3.25Å; C472-V482 WeakPolarHBondContact O-CG2 3.45Å; C472-V482 PolarHBondContact O-N 3.43Å
473	H	95.6	Very high	96	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.075	C	C	.	.	S	Bend	trans	-93.7	-15.6	-176.8	-62.5	79	0	0	0	113.8	L95 W113 Y469 Y470 L471 S481	L95-H473 HydrophobicContact CD2-CB 4.03Å; W113-H473 HydrophobicContact CH2-CB 4.23Å; W113-H473 WeakPolarHBondContact CH2-O 3.34Å; W113-H473 AromaticContact CZ3-CD2 3.82Å; Y469-H473 AromaticContact CD2-CE1 3.77Å; Y469-H473 AromaticContact CE1-CE1 3.99Å; Y469-H473 AromaticContact CE2-CE1 3.45Å; Y469-H473 VanDerWaalsContact CE2-CE1 3.45Å; Y469-H473 WeakPolarHBondContact CE2-CE1 3.32Å; Y469-H473 AromaticContact CZ-CE1 3.59Å; Y469-H473 AromaticContact CZ-NE2 3.98Å; Y469-H473 PolarHBondContact O-CE1 2.83Å; Y469-H473 VanDerWaalsContact O-CE1 3.31Å; Y469-H473 PolarHBondContact O-ND1 2.76Å; Y470-H473 WeakPolarHBondContact O-CB 3.5Å; Y470-H473 PolarHBondContact O-N 3.15Å; Y470-H473 PolarHBondContact O-ND1 3.2Å; L471-H473 PolarHBondContact O-N 3.34Å; H473-S481 PolarHBondContact CE1-OG 3.25Å
474	I	94.5	Very high	96	Very high	9 Å²	9	15 Å²	15	5%	0.046	7%	0.07	C	C	.	.			trans	-98.6	16.4	-175.7	51.3	155.6	0	0	0	114.1	L261 C307 Y310 L471 G476 A486	L261-I474 HydrophobicContact CD2-CG2 3.55Å; L261-I474 HydrophobicContact CG-CG2 3.74Å; C307-I474 HydrophobicContact CB-CD1 4.12Å; C307-I474 WeakPolarHBondContact O-CD1 3.38Å; Y310-I474 HydrophobicContact CE2-CD1 4.26Å; Y310-I474 VanDerWaalsContact OH-CD1 3.3Å; Y310-I474 WeakPolarHBondContact OH-CD1 3.47Å; L471-I474 HydrophobicContact CD2-CD1 3.66Å; L471-I474 HydrophobicContact CD2-CG1 4.5Å; L471-I474 VanDerWaalsContact O-CG1 3.28Å; L471-I474 WeakPolarHBondContact O-CG1 3.4Å; I474-G476 PolarHBondContact O-N 3Å; I474-G476 VanDerWaalsContact O-N 3.16Å; I474-A486 HydrophobicContact CD1-CB 4.19Å; I474-A486 HydrophobicContact CG1-CB 3.83Å
475	Y	94.8	Very high	96	Very high	22 Å²	22	15 Å²	15	9%	0.086	7%	0.07	C	C	.	.			trans	-61.4	-23.6	177.6	176.5	-118.9	0	0	0	113.4	R477 V482 Y489 F490 L493	Y475-R477 HydrophobicContact CD1-CB 4Å; Y475-R477 HydrophobicContact CD1-CG 4.5Å; Y475-R477 HydrophobicContact CE1-CB 3.63Å; Y475-R477 HydrophobicContact CE1-CG 4.09Å; Y475-R477 HydrophobicContact CE2-CG 4.49Å; Y475-R477 PolarHBondContact O-N 3.2Å; Y475-R477 WeakPolarHBondContact OH-CD 3.36Å; Y475-R477 PolarHBondContact OH-NH1 3.33Å; Y475-V482 HydrophobicContact CD1-CG1 3.45Å; Y475-V482 VanDerWaalsContact CD1-CG1 3.45Å; Y475-V482 HydrophobicContact CE1-CG1 4.08Å; Y475-V482 HydrophobicContact CG-CG1 3.81Å; Y475-V482 HydrophobicContact CG-CG2 4.14Å; Y475-Y489 HydrophobicContact CD2-CG 4.17Å; Y475-Y489 HydrophobicContact CE2-CD1 4.08Å; Y475-Y489 AromaticContact CE2-CG 3.91Å; Y475-Y489 HydrophobicContact CE2-CG 3.91Å; Y475-F490 AromaticContact CD2-CD1 3.98Å; Y475-F490 HydrophobicContact CD2-CD1 3.98Å; Y475-F490 AromaticContact CD2-CE1 3.43Å; Y475-F490 HydrophobicContact CD2-CE1 3.43Å; Y475-F490 VanDerWaalsContact CD2-CE1 3.43Å; Y475-F490 HydrophobicContact CD2-CZ 4.14Å; Y475-F490 HydrophobicContact CE2-CD1 4.02Å; Y475-F490 AromaticContact CE2-CE1 3.81Å; Y475-F490 HydrophobicContact CE2-CE1 3.81Å; Y475-F490 HydrophobicContact CG-CE1 4.4Å; Y475-F490 WeakPolarHBondContact O-CE1 3.07Å; Y475-F490 WeakPolarHBondContact O-CZ 3.35Å; Y475-L493 HydrophobicContact CE2-CD1 4.01Å
476	G	90.7	Very high	96	Very high	7 Å²	7	14.9 Å²	14.9	7%	0.072	7%	0.07	C	C	.	.			trans	72.9	-22.4	166.1	0	0	0	0	0	116.5	L248 M252 N258 I474 C478	L248-G476 WeakPolarHBondContact CB-O 2.94Å; M252-G476 VanDerWaalsContact SD-CA 3.57Å; N258-G476 PolarHBondContact ND2-O 3.19Å; I474-G476 PolarHBondContact O-N 3Å; I474-G476 VanDerWaalsContact O-N 3.16Å; G476-C478 VanDerWaalsContact C-N 3.31Å; G476-C478 PolarHBondContact O-N 3.38Å
477	R	93.2	Very high	96	Very high	73 Å²	73	14.5 Å²	14.5	28%	0.275	7%	0.067	S	C	.	.	S	Bend	trans	-81	-8.2	178.2	-58.4	179.9	68.8	-165.6	14.4	114.4	T249 M252 Y475 L493 I543	T249-R477 HydrophobicContact CG2-CB 4.33Å; T249-R477 HydrophobicContact CG2-CG 4.2Å; M252-R477 HydrophobicContact SD-CG 4.48Å; Y475-R477 HydrophobicContact CD1-CB 4Å; Y475-R477 HydrophobicContact CD1-CG 4.5Å; Y475-R477 HydrophobicContact CE1-CB 3.63Å; Y475-R477 HydrophobicContact CE1-CG 4.09Å; Y475-R477 HydrophobicContact CE2-CG 4.49Å; Y475-R477 PolarHBondContact O-N 3.2Å; Y475-R477 WeakPolarHBondContact OH-CD 3.36Å; Y475-R477 PolarHBondContact OH-NH1 3.33Å; R477-L493 VanDerWaalsContact NH1-CD1 3.33Å; R477-L493 VanDerWaalsContact NH1-CD2 3.25Å; R477-I543 HydrophobicContact CG-CD1 3.91Å; R477-I543 HydrophobicContact CG-CG2 3.71Å; R477-I543 PolarHBondContact NE-OXT 3.39Å; R477-I543 PolarHBondContact NH2-OXT 2.69Å
478	C	92.9	Very high	96	Very high	29 Å²	29	14.5 Å²	14.5	20%	0.196	7%	0.067	C	C	.	.	S	Bend	trans	-154.7	159.9	176.7	62.1	0	0	0	0	110.5	G476 R480	G476-C478 VanDerWaalsContact C-N 3.31Å; G476-C478 PolarHBondContact O-N 3.38Å; C478-R480 PolarHBondContact O-N 3.47Å; C478-R480 VanDerWaalsContact O-N 3.13Å
479	M	93.6	Very high	95.9	Very high	30 Å²	30	16.8 Å²	16.8	15%	0.148	8%	0.076	C	C	.	.	S	Bend	trans	-87.7	50.7	175.1	-61.1	168	-77.5	0	0	111	W113 M115 T244 L248	W113-M479 HydrophobicContact CD2-CB 4.26Å; W113-M479 HydrophobicContact CG-CB 4.22Å; W113-M479 PolarHBondContact N-O 3.16Å; W113-M479 VanDerWaalsContact N-O 3.09Å; W113-M479 VanDerWaalsContact O-CB 3.24Å; W113-M479 WeakPolarHBondContact O-CB 3.26Å; M115-M479 HydrophobicContact CB-SD 4.02Å; M115-M479 HydrophobicContact CG-CG 4.37Å; M115-M479 HydrophobicContact CG-SD 3.69Å; M115-M479 PolarHBondContact N-SD 3.25Å; M115-M479 VanDerWaalsContact N-SD 3.4Å; M115-M479 HydrophobicContact SD-SD 4.34Å; T244-M479 HydrophobicContact CG2-CE 3.73Å; T244-M479 HydrophobicContact CG2-SD 4.33Å; L248-M479 HydrophobicContact CD1-CG 4.21Å
480	R	95.1	Very high	95.9	Very high	85 Å²	85	16.7 Å²	16.7	32%	0.321	8%	0.075	S	C	.	.	B	Isolated β-bridge	trans	-144.6	145.8	-176.7	-53.5	-177.9	68.7	100	5.3	110.8	G111 T112 W113 T439 C478 V482	G111-R480 CarbonylContact O-C 3.52Å; G111-R480 VanDerWaalsContact O-CA 3.31Å; G111-R480 WeakPolarHBondContact O-CA 3.35Å; T112-R480 HydrophobicContact CG2-CG 4.18Å; W113-R480 WeakPolarHBondContact CH2-O 3.28Å; W113-R480 VanDerWaalsContact CZ3-CA 3.47Å; T439-R480 PolarHBondContact OG1-NH2 3.31Å; C478-R480 PolarHBondContact O-N 3.47Å; C478-R480 VanDerWaalsContact O-N 3.13Å; R480-V482 PolarHBondContact O-N 3.31Å
481	S	96.2	Very high	95.9	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	7%	0.071	C	C	.	.			trans	-70.8	127.3	167.2	-167.8	0	0	0	0	108.9	G111 W113 S437 H438 C472 H473	G111-S481 PolarHBondContact O-N 2.89Å; W113-S481 VanDerWaalsContact CZ3-N 3.26Å; S437-S481 VanDerWaalsContact O-CB 3.23Å; S437-S481 WeakPolarHBondContact O-CB 3.44Å; S437-S481 PolarHBondContact O-OG 3.41Å; H438-S481 WeakPolarHBondContact CB-O 3.25Å; C472-S481 VanDerWaalsContact CB-OG 3.31Å; C472-S481 WeakPolarHBondContact CB-OG 3.49Å; C472-S481 WeakPolarHBondContact O-CA 3.43Å; H473-S481 PolarHBondContact CE1-OG 3.25Å
482	V	96.3	Very high	95.8	Very high	15 Å²	15	17.1 Å²	17.1	9%	0.091	8%	0.078	C	C	.	.			trans	-91.8	166.8	-177.2	-69.6	0	0	0	0	111.7	S437 C472 Y475 R480 I484 Y489	S437-V482 WeakPolarHBondContact CB-O 3.4Å; S437-V482 PolarHBondContact OG-O 2.89Å; C472-V482 HydrophobicContact CB-CG2 4.4Å; C472-V482 WeakPolarHBondContact CB-O 3.37Å; C472-V482 VanDerWaalsContact O-CG2 3.25Å; C472-V482 WeakPolarHBondContact O-CG2 3.45Å; C472-V482 PolarHBondContact O-N 3.43Å; Y475-V482 HydrophobicContact CD1-CG1 3.45Å; Y475-V482 VanDerWaalsContact CD1-CG1 3.45Å; Y475-V482 HydrophobicContact CE1-CG1 4.08Å; Y475-V482 HydrophobicContact CG-CG1 3.81Å; Y475-V482 HydrophobicContact CG-CG2 4.14Å; R480-V482 PolarHBondContact O-N 3.31Å; V482-I484 VanDerWaalsContact C-N 3.3Å; V482-I484 WeakPolarHBondContact CG2-O 3.2Å; V482-I484 PolarHBondContact O-N 2.97Å; V482-Y489 HydrophobicContact CB-CD2 3.82Å; V482-Y489 HydrophobicContact CB-CE2 3.6Å; V482-Y489 HydrophobicContact CG1-CE2 4.33Å; V482-Y489 HydrophobicContact CG2-CD2 3.66Å; V482-Y489 HydrophobicContact CG2-CE2 3.97Å
483	S	96.6	Very high	95.8	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.042	8%	0.084	C	C	.	.	S	Bend	trans	-74.9	-12	-169.3	66.5	0	0	0	0	116.2	K394 S437 H438 Y489	K394-S483 WeakPolarHBondContact CE-OG 3.47Å; K394-S483 PolarHBondContact NZ-OG 2.94Å; S437-S483 VanDerWaalsContact OG-CA 3.31Å; S437-S483 WeakPolarHBondContact OG-CA 3.5Å; S437-S483 PolarHBondContact OG-O 3.39Å; H438-S483 WeakPolarHBondContact ND1-CA 3.36Å; H438-S483 WeakPolarHBondContact ND1-CB 3.42Å; S483-Y489 PolarHBondContact OG-OH 3.5Å
484	I	97.6	Very high	95.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-148	159.6	-179.1	55.6	-178.8	0	0	0	107.4	V392 K394 A448 V482 V488 Y489	V392-I484 HydrophobicContact CG1-CB 4.21Å; V392-I484 HydrophobicContact CG1-CG2 3.65Å; K394-I484 HydrophobicContact CB-CG2 4.22Å; K394-I484 HydrophobicContact CD-CG2 4.27Å; A448-I484 HydrophobicContact CB-CG2 3.86Å; V482-I484 VanDerWaalsContact C-N 3.3Å; V482-I484 WeakPolarHBondContact CG2-O 3.2Å; V482-I484 PolarHBondContact O-N 2.97Å; I484-V488 HydrophobicContact CD1-CB 4.11Å; I484-V488 HydrophobicContact CD1-CG1 3.75Å; I484-V488 HydrophobicContact CG1-CB 4.38Å; I484-V488 HydrophobicContact CG1-CG1 4.49Å; I484-Y489 HydrophobicContact CB-CD2 4.48Å; I484-Y489 HydrophobicContact CD1-CD2 3.91Å; I484-Y489 HydrophobicContact CD1-CE2 4.03Å; I484-Y489 HydrophobicContact CD1-CG 4.2Å; I484-Y489 HydrophobicContact CG1-CD2 3.21Å; I484-Y489 HydrophobicContact CG1-CE2 3.35Å; I484-Y489 HydrophobicContact CG1-CG 3.96Å
485	P	98	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.			trans	-58	146.1	-175.7	-25.3	37.8	0	0	0	111.7	F352 Y450 L471 P487 V488 Y489	F352-P485 HydrophobicContact CD1-CG 4.02Å; F352-P485 HydrophobicContact CE1-CG 3.99Å; F352-P485 HydrophobicContact CG-CG 4.34Å; F352-P485 HydrophobicContact CZ-CG 4.3Å; Y450-P485 HydrophobicContact CE1-CG 3.85Å; Y450-P485 WeakPolarHBondContact OH-CD 3.48Å; L471-P485 HydrophobicContact CB-CB 3.84Å; P485-P487 VanDerWaalsContact C-CD 3.4Å; P485-P487 VanDerWaalsContact C-N 3.34Å; P485-V488 HydrophobicContact CB-CG2 4.27Å; P485-V488 HydrophobicContact CG-CG2 4.4Å; P485-V488 WeakPolarHBondContact O-CB 3.33Å; P485-V488 PolarHBondContact O-N 3.01Å; P485-Y489 PolarHBondContact O-N 3.14Å; P485-Y489 VanDerWaalsContact O-N 3.11Å
486	A	97.6	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-50.7	-43.5	-179.8	0	0	0	0	0	114.2	L471 I474 V488 Y489 F490	L471-A486 VanDerWaalsContact O-CB 3.26Å; L471-A486 WeakPolarHBondContact O-CB 3.4Å; L471-A486 PolarHBondContact O-N 3.31Å; I474-A486 HydrophobicContact CD1-CB 4.19Å; I474-A486 HydrophobicContact CG1-CB 3.83Å; A486-V488 VanDerWaalsContact C-N 3.28Å; A486-V488 PolarHBondContact O-N 3.44Å; A486-Y489 CarbonylContact O-C 3.54Å; A486-Y489 WeakPolarHBondContact O-CB 3.21Å; A486-Y489 PolarHBondContact O-N 3.42Å; A486-Y489 VanDerWaalsContact O-N 3.12Å; A486-F490 HydrophobicContact CB-CD2 4.32Å; A486-F490 HydrophobicContact CB-CE2 3.71Å; A486-F490 HydrophobicContact CB-CZ 3.92Å; A486-F490 WeakPolarHBondContact O-CB 3.45Å; A486-F490 WeakPolarHBondContact O-CD2 3.35Å; A486-F490 WeakPolarHBondContact O-CG 3.35Å; A486-F490 PolarHBondContact O-N 3.04Å
487	P	97.8	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.5	-40.9	176.1	-18.7	23.8	0	0	0	113.4	V278 Y310 P485 F490 A491	V278-P487 HydrophobicContact CB-CG 4.35Å; V278-P487 HydrophobicContact CG1-CB 4.34Å; V278-P487 HydrophobicContact CG1-CG 3.51Å; Y310-P487 HydrophobicContact CE1-CB 4.04Å; Y310-P487 HydrophobicContact CE1-CG 3.74Å; P485-P487 VanDerWaalsContact C-CD 3.4Å; P485-P487 VanDerWaalsContact C-N 3.34Å; P487-F490 PolarHBondContact O-N 2.94Å; P487-A491 PolarHBondContact O-N 2.91Å
488	V	97.7	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68	-43.7	178.3	-169.6	0	0	0	0	110.5	F352 D354 V392 I484 P485 A486 F490 A491 H492	F352-V488 HydrophobicContact CB-CG2 3.34Å; F352-V488 HydrophobicContact CG-CG2 4.19Å; D354-V488 HydrophobicContact CB-CG1 3.65Å; V392-V488 HydrophobicContact CG2-CG2 4.23Å; I484-V488 HydrophobicContact CD1-CB 4.11Å; I484-V488 HydrophobicContact CD1-CG1 3.75Å; I484-V488 HydrophobicContact CG1-CB 4.38Å; I484-V488 HydrophobicContact CG1-CG1 4.49Å; P485-V488 HydrophobicContact CB-CG2 4.27Å; P485-V488 HydrophobicContact CG-CG2 4.4Å; P485-V488 WeakPolarHBondContact O-CB 3.33Å; P485-V488 PolarHBondContact O-N 3.01Å; A486-V488 VanDerWaalsContact C-N 3.28Å; A486-V488 PolarHBondContact O-N 3.44Å; V488-F490 VanDerWaalsContact C-N 3.3Å; V488-F490 PolarHBondContact O-N 3.37Å; V488-A491 PolarHBondContact O-N 3.11Å; V488-H492 PolarHBondContact O-CD2 3.27Å; V488-H492 PolarHBondContact O-N 3.17Å
489	Y	97	Very high	95.7	Very high	49 Å²	49	21.7 Å²	21.7	19%	0.192	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-39.2	175	-111.8	-60.1	0	0	0	112.3	K394 Y475 V482 S483 I484 P485 A486 H492 L493	K394-Y489 PolarHBondContact NZ-OH 2.95Å; K394-Y489 VanDerWaalsContact NZ-OH 3.09Å; Y475-Y489 HydrophobicContact CD2-CG 4.17Å; Y475-Y489 HydrophobicContact CE2-CD1 4.08Å; Y475-Y489 AromaticContact CE2-CG 3.91Å; Y475-Y489 HydrophobicContact CE2-CG 3.91Å; V482-Y489 HydrophobicContact CB-CD2 3.82Å; V482-Y489 HydrophobicContact CB-CE2 3.6Å; V482-Y489 HydrophobicContact CG1-CE2 4.33Å; V482-Y489 HydrophobicContact CG2-CD2 3.66Å; V482-Y489 HydrophobicContact CG2-CE2 3.97Å; S483-Y489 PolarHBondContact OG-OH 3.5Å; I484-Y489 HydrophobicContact CB-CD2 4.48Å; I484-Y489 HydrophobicContact CD1-CD2 3.91Å; I484-Y489 HydrophobicContact CD1-CE2 4.03Å; I484-Y489 HydrophobicContact CD1-CG 4.2Å; I484-Y489 HydrophobicContact CG1-CD2 3.21Å; I484-Y489 HydrophobicContact CG1-CE2 3.35Å; I484-Y489 HydrophobicContact CG1-CG 3.96Å; P485-Y489 PolarHBondContact O-N 3.14Å; P485-Y489 VanDerWaalsContact O-N 3.11Å; A486-Y489 CarbonylContact O-C 3.54Å; A486-Y489 WeakPolarHBondContact O-CB 3.21Å; A486-Y489 PolarHBondContact O-N 3.42Å; A486-Y489 VanDerWaalsContact O-N 3.12Å; Y489-H492 WeakPolarHBondContact O-CB 3.42Å; Y489-H492 PolarHBondContact O-N 3.06Å; Y489-L493 WeakPolarHBondContact O-CG 3.35Å; Y489-L493 PolarHBondContact O-N 3.17Å; Y489-L493 VanDerWaalsContact O-N 3.09Å
490	F	98	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.6	-40.3	176.5	-62.7	-30.2	0	0	0	111.8	M252 V300 Y310 Y475 A486 P487 V488 H492 L493 A494 M540 F542 I543	M252-F490 HydrophobicContact CE-CE1 4.34Å; M252-F490 HydrophobicContact CE-CZ 4.08Å; V300-F490 HydrophobicContact CB-CB 4.37Å; V300-F490 HydrophobicContact CG1-CB 3.77Å; V300-F490 HydrophobicContact CG1-CD2 4.41Å; V300-F490 HydrophobicContact CG2-CB 4.23Å; Y310-F490 HydrophobicContact CD1-CD2 4.06Å; Y310-F490 HydrophobicContact CD1-CE2 4.47Å; Y310-F490 AromaticContact CD2-CD2 3.78Å; Y310-F490 HydrophobicContact CD2-CD2 3.78Å; Y310-F490 AromaticContact CD2-CE2 3.41Å; Y310-F490 HydrophobicContact CD2-CE2 3.41Å; Y310-F490 VanDerWaalsContact CD2-CE2 3.41Å; Y310-F490 HydrophobicContact CE1-CD2 4.48Å; Y310-F490 HydrophobicContact CE2-CD2 4.21Å; Y310-F490 AromaticContact CE2-CE2 3.67Å; Y310-F490 HydrophobicContact CE2-CE2 3.67Å; Y310-F490 AromaticContact CG-CD2 3.7Å; Y310-F490 HydrophobicContact CG-CD2 3.7Å; Y310-F490 AromaticContact CG-CE2 3.86Å; Y310-F490 HydrophobicContact CG-CE2 3.86Å; Y475-F490 AromaticContact CD2-CD1 3.98Å; Y475-F490 HydrophobicContact CD2-CD1 3.98Å; Y475-F490 AromaticContact CD2-CE1 3.43Å; Y475-F490 HydrophobicContact CD2-CE1 3.43Å; Y475-F490 VanDerWaalsContact CD2-CE1 3.43Å; Y475-F490 HydrophobicContact CD2-CZ 4.14Å; Y475-F490 HydrophobicContact CE2-CD1 4.02Å; Y475-F490 AromaticContact CE2-CE1 3.81Å; Y475-F490 HydrophobicContact CE2-CE1 3.81Å; Y475-F490 HydrophobicContact CG-CE1 4.4Å; Y475-F490 WeakPolarHBondContact O-CE1 3.07Å; Y475-F490 WeakPolarHBondContact O-CZ 3.35Å; A486-F490 HydrophobicContact CB-CD2 4.32Å; A486-F490 HydrophobicContact CB-CE2 3.71Å; A486-F490 HydrophobicContact CB-CZ 3.92Å; A486-F490 WeakPolarHBondContact O-CB 3.45Å; A486-F490 WeakPolarHBondContact O-CD2 3.35Å; A486-F490 WeakPolarHBondContact O-CG 3.35Å; A486-F490 PolarHBondContact O-N 3.04Å; P487-F490 PolarHBondContact O-N 2.94Å; V488-F490 VanDerWaalsContact C-N 3.3Å; V488-F490 PolarHBondContact O-N 3.37Å; F490-H492 VanDerWaalsContact C-N 3.3Å; F490-H492 PolarHBondContact O-N 3Å; F490-L493 HydrophobicContact CD1-CD1 4.37Å; F490-L493 PolarHBondContact O-N 3.47Å; F490-L493 VanDerWaalsContact O-N 3.1Å; F490-A494 PolarHBondContact O-N 3.44Å; F490-M540 HydrophobicContact CD1-CE 4.33Å; F490-M540 HydrophobicContact CD2-CE 4.15Å; F490-M540 HydrophobicContact CE1-CE 3.97Å; F490-M540 HydrophobicContact CE2-CE 3.77Å; F490-M540 HydrophobicContact CG-CE 4.43Å; F490-M540 HydrophobicContact CZ-CE 3.66Å; F490-F542 HydrophobicContact CB-CD2 4.4Å; F490-F542 HydrophobicContact CB-CE2 3.69Å; F490-F542 HydrophobicContact CB-CZ 4.36Å; F490-F542 HydrophobicContact CD1-CE2 4.12Å; F490-F542 AromaticContact CG-CE2 3.95Å; F490-F542 HydrophobicContact CG-CE2 3.95Å; F490-I543 HydrophobicContact CD1-CD1 3.68Å; F490-I543 HydrophobicContact CE1-CD1 3.45Å; F490-I543 VanDerWaalsContact CE1-CD1 3.45Å; F490-I543 HydrophobicContact CZ-CD1 4.4Å
491	A	96.6	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.9	-43.6	172.7	0	0	0	0	0	111.2	D282 V298 V300 P487 V488 L493 A494 C495	D282-A491 HydrophobicContact CB-CB 3.75Å; V298-A491 HydrophobicContact CG1-CB 4.42Å; V300-A491 HydrophobicContact CG2-CB 4.18Å; P487-A491 PolarHBondContact O-N 2.91Å; V488-A491 PolarHBondContact O-N 3.11Å; A491-L493 VanDerWaalsContact C-N 3.34Å; A491-L493 PolarHBondContact O-N 2.63Å; A491-A494 PolarHBondContact O-N 3.06Å; A491-C495 WeakPolarHBondContact O-CB 3.49Å; A491-C495 PolarHBondContact O-N 3.44Å
492	H	94.9	Very high	95.2	Very high	30 Å²	30	18 Å²	18	14%	0.139	8%	0.079	C	C	.	.	H	α-helix	trans	-59.2	-42.3	173.3	-71.2	-179.3	0	0	0	113	D282 D354 V488 Y489 F490 C495 Y496	D282-H492 IonicContact OD1-CD2 2.62Å; D282-H492 IonicContact OD1-NE2 3.26Å; D282-H492 IonicContact OD2-CD2 3.65Å; D282-H492 PolarHBondContact OD2-CD2 3.38Å; D282-H492 IonicContact OD2-CG 2.71Å; D282-H492 IonicContact OD2-NE2 3.85Å; D354-H492 VanDerWaalsContact CB-NE2 3.27Å; D354-H492 WeakPolarHBondContact CB-NE2 3.26Å; D354-H492 IonicContact OD1-CE1 3.84Å; D354-H492 IonicContact OD1-NE2 3.37Å; D354-H492 IonicContact OD2-CE1 3.34Å; D354-H492 PolarHBondContact OD2-CE1 2.92Å; D354-H492 IonicContact OD2-NE2 3.95Å; D354-H492 PolarHBondContact OD2-NE2 3.31Å; V488-H492 PolarHBondContact O-CD2 3.27Å; V488-H492 PolarHBondContact O-N 3.17Å; Y489-H492 WeakPolarHBondContact O-CB 3.42Å; Y489-H492 PolarHBondContact O-N 3.06Å; F490-H492 VanDerWaalsContact C-N 3.3Å; F490-H492 PolarHBondContact O-N 3Å; H492-C495 WeakPolarHBondContact O-CB 3.42Å; H492-C495 PolarHBondContact O-N 3.43Å; H492-Y496 WeakPolarHBondContact O-CD2 3.4Å; H492-Y496 PolarHBondContact O-N 2.97Å
493	L	96.4	Very high	94.7	Very high	26 Å²	26	22.4 Å²	22.4	14%	0.136	10%	0.095	C	C	.	.	H	α-helix	trans	-66.6	-41.4	179.2	-67.4	177.5	0	0	0	111.9	Y475 R477 Y489 F490 A491 Y496 R497 F542 I543	Y475-L493 HydrophobicContact CE2-CD1 4.01Å; R477-L493 VanDerWaalsContact NH1-CD1 3.33Å; R477-L493 VanDerWaalsContact NH1-CD2 3.25Å; Y489-L493 WeakPolarHBondContact O-CG 3.35Å; Y489-L493 PolarHBondContact O-N 3.17Å; Y489-L493 VanDerWaalsContact O-N 3.09Å; F490-L493 HydrophobicContact CD1-CD1 4.37Å; F490-L493 PolarHBondContact O-N 3.47Å; F490-L493 VanDerWaalsContact O-N 3.1Å; A491-L493 VanDerWaalsContact C-N 3.34Å; A491-L493 PolarHBondContact O-N 2.63Å; L493-Y496 PolarHBondContact O-N 3.18Å; L493-R497 WeakPolarHBondContact O-CB 3.4Å; L493-R497 PolarHBondContact O-N 2.72Å; L493-F542 HydrophobicContact CB-CB 4.48Å; L493-F542 HydrophobicContact CB-CD2 4.25Å; L493-I543 HydrophobicContact CD1-CD1 4.12Å
494	A	96.6	Very high	94	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-37.3	174.9	0	0	0	0	0	111.7	V298 V300 A312 M314 F490 A491 R497 S498 F542	V298-A494 HydrophobicContact CG1-CB 3.55Å; V300-A494 HydrophobicContact CG2-CB 4.43Å; A312-A494 HydrophobicContact CB-CB 3.9Å; M314-A494 HydrophobicContact SD-CB 4.43Å; F490-A494 PolarHBondContact O-N 3.44Å; A491-A494 PolarHBondContact O-N 3.06Å; A494-R497 PolarHBondContact O-N 2.55Å; A494-S498 PolarHBondContact O-N 3.11Å; A494-F542 HydrophobicContact CB-CB 4.05Å; A494-F542 HydrophobicContact CB-CD1 4.28Å; A494-F542 HydrophobicContact CB-CG 4.09Å
495	C	93.8	Very high	93.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	12%	0.123	C	C	.	.	H	α-helix	trans	-58.7	-44.9	168.9	-89.3	0	0	0	0	112.9	D282 T284 V298 A491 H492 R497 S498 R499	D282-C495 PolarHBondContact OD2-SG 3.28Å; T284-C495 HydrophobicContact CG2-CB 4.11Å; V298-C495 HydrophobicContact CG2-CB 4.37Å; V298-C495 WeakPolarHBondContact CG2-SG 3.44Å; A491-C495 WeakPolarHBondContact O-CB 3.49Å; A491-C495 PolarHBondContact O-N 3.44Å; H492-C495 WeakPolarHBondContact O-CB 3.42Å; H492-C495 PolarHBondContact O-N 3.43Å; C495-R497 VanDerWaalsContact C-N 3.33Å; C495-S498 PolarHBondContact O-OG 3.06Å; C495-R499 WeakPolarHBondContact O-CG 3.37Å; C495-R499 PolarHBondContact O-N 3.39Å
496	Y	93.1	Very high	91.7	Very high	126 Å²	126	30.7 Å²	30.7	49%	0.494	14%	0.136	S	C	.	.	H	α-helix	trans	-65.9	-39.6	174.8	-72	-53.5	0	0	0	111.7	H492 L493 S498 R499 D500	H492-Y496 WeakPolarHBondContact O-CD2 3.4Å; H492-Y496 PolarHBondContact O-N 2.97Å; L493-Y496 PolarHBondContact O-N 3.18Å; Y496-S498 PolarHBondContact O-N 3.4Å; Y496-R499 WeakPolarHBondContact O-CB 3.24Å; Y496-R499 PolarHBondContact O-N 3.34Å; Y496-D500 PolarHBondContact O-N 2.7Å; Y496-D500 VanDerWaalsContact O-N 3.08Å
497	R	95.2	Very high	89.7	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-40.8	179.5	-174.5	60	65.1	76.4	15.6	112.5	D216 L493 A494 C495 R499 D500 H501 Y541 F542	D216-R497 IonicContact OD1-NH1 3.28Å; D216-R497 WeakPolarHBondContact OD2-CD 3.06Å; D216-R497 IonicContact OD2-CZ 3.19Å; D216-R497 IonicContact OD2-NE 3.73Å; D216-R497 IonicContact OD2-NH1 3.41Å; D216-R497 PolarHBondContact OD2-NH1 3.04Å; L493-R497 WeakPolarHBondContact O-CB 3.4Å; L493-R497 PolarHBondContact O-N 2.72Å; A494-R497 PolarHBondContact O-N 2.55Å; C495-R497 VanDerWaalsContact C-N 3.33Å; R497-R499 PolarHBondContact O-N 2.99Å; R497-D500 WeakPolarHBondContact O-CB 3.36Å; R497-D500 PolarHBondContact O-N 3.37Å; R497-H501 WeakPolarHBondContact CD-NE2 3.12Å; R497-H501 VanDerWaalsContact O-CG 3.29Å; R497-H501 PolarHBondContact O-N 2.84Å; R497-Y541 HydrophobicContact CG-CD2 4.2Å; R497-Y541 HydrophobicContact CG-CE2 3.69Å; R497-Y541 PolarHBondContact NH1-O 3.04Å; R497-Y541 PolarHBondContact NH2-O 3.23Å; R497-F542 HydrophobicContact CB-CB 4.48Å; R497-F542 VanDerWaalsContact NH2-C 3.28Å; R497-F542 VanDerWaalsContact NH2-CA 3.34Å; R497-F542 PolarHBondContact NH2-O 2.84Å
498	S	93	Very high	87.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-34.3	176.7	71.3	0	0	0	0	111.9	A494 C495 Y496 H501 A502	A494-S498 PolarHBondContact O-N 3.11Å; C495-S498 PolarHBondContact O-OG 3.06Å; Y496-S498 PolarHBondContact O-N 3.4Å; S498-H501 PolarHBondContact O-N 3.45Å; S498-A502 WeakPolarHBondContact O-CB 3.14Å; S498-A502 PolarHBondContact O-N 3.19Å
499	R	89.8	Confident	84.4	Confident	78 Å²	78	40.6 Å²	40.6	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-36.9	173.3	-64.2	174	61.3	137.8	13.2	112.8	T284 H285 C495 Y496 R497 H501 A502 Y503	T284-R499 HydrophobicContact CG2-CG 3.95Å; T284-R499 WeakPolarHBondContact OG1-CD 3.45Å; H285-R499 PolarHBondContact O-NH1 3.36Å; C495-R499 WeakPolarHBondContact O-CG 3.37Å; C495-R499 PolarHBondContact O-N 3.39Å; Y496-R499 WeakPolarHBondContact O-CB 3.24Å; Y496-R499 PolarHBondContact O-N 3.34Å; R497-R499 PolarHBondContact O-N 2.99Å; R499-H501 VanDerWaalsContact C-N 3.32Å; R499-A502 PolarHBondContact O-N 3.22Å; R499-Y503 WeakPolarHBondContact O-CA 3.44Å; R499-Y503 PolarHBondContact O-N 2.83Å
500	D	91.7	Very high	81.3	Confident	35 Å²	35	46.3 Å²	46.3	19%	0.187	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-41.4	173.8	-64.8	-44.1	0	0	0	110.4	Y208 P209 Y496 R497 A502 Y503	Y208-D500 HydrophobicContact CE1-CB 4.5Å; Y208-D500 WeakPolarHBondContact CE1-OD2 3.3Å; P209-D500 HydrophobicContact CB-CB 4.38Å; P209-D500 WeakPolarHBondContact CB-O 3.35Å; Y496-D500 PolarHBondContact O-N 2.7Å; Y496-D500 VanDerWaalsContact O-N 3.08Å; R497-D500 WeakPolarHBondContact O-CB 3.36Å; R497-D500 PolarHBondContact O-N 3.37Å; D500-A502 PolarHBondContact O-N 3.25Å; D500-Y503 VanDerWaalsContact O-CB 3.32Å; D500-Y503 WeakPolarHBondContact O-CB 3.44Å; D500-Y503 PolarHBondContact O-N 2.99Å
501	H	93.5	Very high	78.2	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-40.9	176.9	-59.8	162	0	0	0	113	D216 V217 R497 S498 R499 Y503 A529 Y541	D216-H501 WeakPolarHBondContact CB-NE2 3.2Å; D216-H501 IonicContact OD2-CD2 3Å; D216-H501 IonicContact OD2-CE1 2.93Å; D216-H501 IonicContact OD2-NE2 3.97Å; D216-H501 PolarHBondContact OD2-NE2 2.67Å; V217-H501 HydrophobicContact CG2-CB 4.19Å; R497-H501 WeakPolarHBondContact CD-NE2 3.12Å; R497-H501 VanDerWaalsContact O-CG 3.29Å; R497-H501 PolarHBondContact O-N 2.84Å; S498-H501 PolarHBondContact O-N 3.45Å; R499-H501 VanDerWaalsContact C-N 3.32Å; H501-Y503 VanDerWaalsContact C-N 3.34Å; H501-A529 VanDerWaalsContact CB-O 3.23Å; H501-A529 WeakPolarHBondContact CB-O 3.47Å; H501-Y541 AromaticContact CE1-CE2 3.93Å
502	A	89.1	Confident	75.1	Confident	5 Å²	5	54.5 Å²	54.5	4%	0.041	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.6	-179.6	0	0	0	0	0	114.2	S498 R499 D500 F504 L505 T506 F526 I530	S498-A502 WeakPolarHBondContact O-CB 3.14Å; S498-A502 PolarHBondContact O-N 3.19Å; R499-A502 PolarHBondContact O-N 3.22Å; D500-A502 PolarHBondContact O-N 3.25Å; A502-F504 VanDerWaalsContact C-N 3.32Å; A502-F504 PolarHBondContact O-N 3.22Å; A502-F504 VanDerWaalsContact O-N 3.16Å; A502-L505 WeakPolarHBondContact O-CB 3.44Å; A502-L505 PolarHBondContact O-N 3.28Å; A502-T506 PolarHBondContact O-N 3.4Å; A502-F526 HydrophobicContact CB-CD1 3.85Å; A502-F526 HydrophobicContact CB-CE1 3.74Å; A502-I530 HydrophobicContact CB-CG2 4.38Å
503	Y	85.6	Confident	72.3	Confident	106 Å²	106	64.9 Å²	64.9	42%	0.416	35%	0.352	S	S	.	.	H	α-helix	trans	-50.7	-47.6	-169.6	-179.7	-102.7	0	0	0	113.3	P209 R499 D500 H501 L505 T506	P209-Y503 HydrophobicContact CB-CD1 3.89Å; P209-Y503 HydrophobicContact CB-CD2 4.42Å; P209-Y503 HydrophobicContact CB-CG 3.72Å; P209-Y503 HydrophobicContact CG-CD1 4.14Å; P209-Y503 HydrophobicContact CG-CD2 4.21Å; P209-Y503 HydrophobicContact CG-CG 3.95Å; R499-Y503 WeakPolarHBondContact O-CA 3.44Å; R499-Y503 PolarHBondContact O-N 2.83Å; D500-Y503 VanDerWaalsContact O-CB 3.32Å; D500-Y503 WeakPolarHBondContact O-CB 3.44Å; D500-Y503 PolarHBondContact O-N 2.99Å; H501-Y503 VanDerWaalsContact C-N 3.34Å; Y503-L505 VanDerWaalsContact C-N 3.28Å; Y503-L505 PolarHBondContact O-N 3.1Å; Y503-T506 PolarHBondContact O-N 3.47Å; Y503-T506 PolarHBondContact O-OG1 2.78Å
504	F	80.3	Confident	69.6	Low	76 Å²	76	65.5 Å²	65.5	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-72.3	-15.5	-178.6	-63.8	-73.1	0	0	0	114.6	I174 E210 A502 S508	I174-F504 HydrophobicContact CD1-CE1 4.12Å; I174-F504 HydrophobicContact CD1-CZ 3.98Å; E210-F504 HydrophobicContact CB-CE2 3.75Å; E210-F504 HydrophobicContact CB-CZ 3.94Å; E210-F504 HydrophobicContact CG-CE2 4.41Å; E210-F504 WeakPolarHBondContact OE2-CE2 3.24Å; A502-F504 VanDerWaalsContact C-N 3.32Å; A502-F504 PolarHBondContact O-N 3.22Å; A502-F504 VanDerWaalsContact O-N 3.16Å; F504-S508 PolarHBondContact O-OG 2.78Å
505	L	78.7	Confident	67.3	Low	60 Å²	60	69.1 Å²	69.1	31%	0.314	39%	0.39	S	S	.	.	H	α-helix	trans	-84.9	-26.2	174.6	-61.9	179.1	0	0	0	112.5	A502 Y503 D525 F526 A529	A502-L505 WeakPolarHBondContact O-CB 3.44Å; A502-L505 PolarHBondContact O-N 3.28Å; Y503-L505 VanDerWaalsContact C-N 3.28Å; Y503-L505 PolarHBondContact O-N 3.1Å; L505-D525 HydrophobicContact CD1-CB 4.41Å; L505-F526 HydrophobicContact CB-CD2 4.35Å; L505-F526 HydrophobicContact CB-CE1 4.28Å; L505-F526 HydrophobicContact CB-CE2 3.82Å; L505-F526 HydrophobicContact CB-CZ 3.78Å; L505-F526 HydrophobicContact CD1-CD2 4.18Å; L505-F526 HydrophobicContact CD1-CE2 4.47Å; L505-F526 HydrophobicContact CD1-CG 4.2Å; L505-A529 HydrophobicContact CD1-CB 3.61Å
506	T	69.2	Low	65.6	Low	44 Å²	44	79.2 Å²	79.2	27%	0.27	43%	0.428	S	S	.	.	H	α-helix	trans	-79.5	-22.7	-179.4	64.3	0	0	0	0	113.2	S293 A502 Y503 S509 F526	S293-T506 WeakPolarHBondContact OG-CG2 3.48Å; A502-T506 PolarHBondContact O-N 3.4Å; Y503-T506 PolarHBondContact O-N 3.47Å; Y503-T506 PolarHBondContact O-OG1 2.78Å; T506-S509 PolarHBondContact O-OG 3.18Å; T506-F526 HydrophobicContact CG2-CE1 3.86Å; T506-F526 HydrophobicContact CG2-CZ 3.8Å
507	G	55.6	Low	63.9	Low	68 Å²	68	80.6 Å²	80.6	70%	0.701	44%	0.439	S	S	*	.	S	Bend	trans	-89.2	-12.8	-176	0	0	0	0	0	116	S509	G507-S509 VanDerWaalsContact C-N 3.29Å; G507-S509 PolarHBondContact O-N 3.28Å
508	S	46.7	Very low	62.2	Low	91 Å²	91	85.8 Å²	85.8	64%	0.636	46%	0.463	S	S	*	.			trans	-87.8	15.8	-173.6	-63.6	0	0	0	0	114.7	F504 N510	F504-S508 PolarHBondContact O-OG 2.78Å; S508-N510 PolarHBondContact O-N 3.16Å
509	S	38.1	Very low	60.9	Low	50 Å²	50	88.7 Å²	88.7	35%	0.35	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	48.6	-175.1	-44.5	0	0	0	0	114.3	T506 G507 R522	T506-S509 PolarHBondContact O-OG 3.18Å; G507-S509 VanDerWaalsContact C-N 3.29Å; G507-S509 PolarHBondContact O-N 3.28Å; S509-R522 PolarHBondContact OG-NH2 3.45Å
510	N	32.5	Very low	59.9	Low	168 Å²	168	90.8 Å²	90.8	90%	0.898	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	3.7	159.6	-89.2	-4.8	0	0	0	112.2	S508 S512	S508-N510 PolarHBondContact O-N 3.16Å; N510-S512 PolarHBondContact O-N 2.9Å
511	A	32.4	Very low	59.1	Low	73 Å²	73	94.3 Å²	94.3	60%	0.603	51%	0.511	S	S	*	.	S	Bend	trans	-81.4	105.1	173.5	0	0	0	0	0	110.3
512	S	31.9	Very low	58.2	Low	100 Å²	100	97.3 Å²	97.3	70%	0.699	52%	0.523	S	S	*	.			trans	-42.9	137.4	170.1	49.4	0	0	0	0	114.1	N510 G514	N510-S512 PolarHBondContact O-N 2.9Å; S512-G514 PolarHBondContact O-N 2.84Å
513	Y	36.1	Very low	57.6	Low	248 Å²	248	100.5 Å²	100.5	97%	0.973	54%	0.539	S	S	*	.			trans	-3.2	89.1	166.2	-73.4	-86.3	0	0	0	115.2
514	G	39.2	Very low	57.4	Low	39 Å²	39	99.6 Å²	99.6	40%	0.402	54%	0.544	S	S	.	.			trans	-92.2	148.3	178.3	0	0	0	0	0	113.7	S512	S512-G514 PolarHBondContact O-N 2.84Å
515	S	48.4	Very low	57.7	Low	75 Å²	75	99.1 Å²	99.1	52%	0.524	55%	0.545	S	S	.	.			trans	-54.9	165.5	176.9	64.6	0	0	0	0	114.1	Q517 Q518 S519	S515-Q517 PolarHBondContact O-N 3.41Å; S515-Q517 VanDerWaalsContact O-N 3.07Å; S515-Q518 WeakPolarHBondContact O-CB 3.4Å; S515-Q518 PolarHBondContact O-N 2.87Å; S515-S519 PolarHBondContact O-N 3.35Å
516	R	57	Low	58	Low	215 Å²	215	96.6 Å²	96.6	81%	0.811	53%	0.532	S	S	*	.	H	α-helix	trans	-49.6	-36.6	179.5	-148.5	174.5	-172.7	169.4	0.4	113.3	Q518 S519 E520	R516-Q518 PolarHBondContact O-N 2.89Å; R516-S519 PolarHBondContact O-N 3.38Å; R516-S519 PolarHBondContact O-OG 3.13Å; R516-E520 PolarHBondContact O-N 3.47Å
517	Q	57.5	Low	58.9	Low	155 Å²	155	97 Å²	97	72%	0.724	53%	0.534	S	S	*	.	H	α-helix	trans	-62.4	-38.3	175.2	-84.4	178.6	-17.7	0	0	113.6	S515 S519 E520 Q521	S515-Q517 PolarHBondContact O-N 3.41Å; S515-Q517 VanDerWaalsContact O-N 3.07Å; Q517-S519 VanDerWaalsContact C-N 3.28Å; Q517-S519 PolarHBondContact O-N 3.16Å; Q517-E520 PolarHBondContact O-N 3.3Å; Q517-Q521 PolarHBondContact O-N 2.99Å; Q517-Q521 VanDerWaalsContact O-N 3.08Å
518	Q	60.3	Low	60.4	Low	113 Å²	113	103.1 Å²	103.1	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-33.9	176	-78.3	-171.1	7.4	0	0	111.8	S515 R516 R522	S515-Q518 WeakPolarHBondContact O-CB 3.4Å; S515-Q518 PolarHBondContact O-N 2.87Å; R516-Q518 PolarHBondContact O-N 2.89Å; Q518-R522 VanDerWaalsContact O-CB 3.29Å; Q518-R522 WeakPolarHBondContact O-CB 3.43Å; Q518-R522 PolarHBondContact O-N 2.84Å
519	S	65.1	Low	62.6	Low	61 Å²	61	99.5 Å²	99.5	43%	0.427	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-37.8	177.1	79.3	0	0	0	0	112.7	S515 R516 Q517 N523	S515-S519 PolarHBondContact O-N 3.35Å; R516-S519 PolarHBondContact O-N 3.38Å; R516-S519 PolarHBondContact O-OG 3.13Å; Q517-S519 VanDerWaalsContact C-N 3.28Å; Q517-S519 PolarHBondContact O-N 3.16Å; S519-N523 PolarHBondContact O-N 3.06Å; S519-N523 VanDerWaalsContact O-N 3.09Å; S519-N523 PolarHBondContact O-ND2 3.34Å
520	E	69.6	Low	65.1	Low	123 Å²	123	97.2 Å²	97.2	58%	0.575	50%	0.496	S	S	*	.	H	α-helix	trans	-68.3	-47.8	176.7	-75.3	179.7	170.9	0	0	111.3	R516 Q517 R522 N523 V524	R516-E520 PolarHBondContact O-N 3.47Å; Q517-E520 PolarHBondContact O-N 3.3Å; E520-R522 VanDerWaalsContact C-N 3.29Å; E520-R522 PolarHBondContact O-N 2.94Å; E520-N523 WeakPolarHBondContact O-CB 3.49Å; E520-N523 PolarHBondContact O-N 3.4Å; E520-N523 VanDerWaalsContact O-N 3.11Å; E520-V524 WeakPolarHBondContact O-CG2 3.33Å; E520-V524 PolarHBondContact O-N 2.87Å
521	Q	74.6	Confident	68	Low	108 Å²	108	93 Å²	93	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-42.5	176.8	-172.8	60.1	42.3	0	0	111.5	Q517 N523 V524 D525	Q517-Q521 PolarHBondContact O-N 2.99Å; Q517-Q521 VanDerWaalsContact O-N 3.08Å; Q521-N523 VanDerWaalsContact C-N 3.33Å; Q521-N523 PolarHBondContact O-N 3.36Å; Q521-V524 WeakPolarHBondContact O-CB 3.28Å; Q521-V524 PolarHBondContact O-N 3.16Å; Q521-V524 VanDerWaalsContact O-N 3.16Å; Q521-D525 PolarHBondContact NE2-OD1 3.5Å; Q521-D525 VanDerWaalsContact O-CG 3.28Å; Q521-D525 PolarHBondContact O-N 2.78Å
522	R	75.2	Confident	71	Confident	66 Å²	66	90.1 Å²	90.1	25%	0.249	45%	0.451	C	S	.	.	H	α-helix	trans	-61.3	-40.6	176.8	-165.4	173	-172.5	-177.3	-0.9	111.6	D292 S509 Q518 E520 D525 F526	D292-R522 IonicContact OD2-NH1 3.38Å; D292-R522 PolarHBondContact OD2-NH1 3.23Å; S509-R522 PolarHBondContact OG-NH2 3.45Å; Q518-R522 VanDerWaalsContact O-CB 3.29Å; Q518-R522 WeakPolarHBondContact O-CB 3.43Å; Q518-R522 PolarHBondContact O-N 2.84Å; E520-R522 VanDerWaalsContact C-N 3.29Å; E520-R522 PolarHBondContact O-N 2.94Å; R522-D525 PolarHBondContact O-N 2.88Å; R522-F526 HydrophobicContact CG-CD2 3.97Å; R522-F526 HydrophobicContact CG-CE2 4.01Å; R522-F526 WeakPolarHBondContact O-CD2 3.41Å; R522-F526 PolarHBondContact O-N 3.35Å
523	N	76.2	Confident	74.1	Confident	71 Å²	71	88.2 Å²	88.2	38%	0.38	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-38.7	175.1	-79.7	-26.1	0	0	0	112.7	S519 E520 Q521 F526 T527	S519-N523 PolarHBondContact O-N 3.06Å; S519-N523 VanDerWaalsContact O-N 3.09Å; S519-N523 PolarHBondContact O-ND2 3.34Å; E520-N523 WeakPolarHBondContact O-CB 3.49Å; E520-N523 PolarHBondContact O-N 3.4Å; E520-N523 VanDerWaalsContact O-N 3.11Å; Q521-N523 VanDerWaalsContact C-N 3.33Å; Q521-N523 PolarHBondContact O-N 3.36Å; N523-F526 PolarHBondContact O-N 3.1Å; N523-T527 WeakPolarHBondContact O-CB 3.36Å; N523-T527 PolarHBondContact O-N 3.3Å; N523-T527 PolarHBondContact O-OG1 3.18Å
524	V	81.8	Confident	76.9	Confident	87 Å²	87	82 Å²	82	53%	0.527	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174.4	174.8	0	0	0	0	110.5	E520 Q521 F526 T527 R528	E520-V524 WeakPolarHBondContact O-CG2 3.33Å; E520-V524 PolarHBondContact O-N 2.87Å; Q521-V524 WeakPolarHBondContact O-CB 3.28Å; Q521-V524 PolarHBondContact O-N 3.16Å; Q521-V524 VanDerWaalsContact O-N 3.16Å; V524-F526 PolarHBondContact O-N 3.21Å; V524-T527 PolarHBondContact O-N 3.34Å; V524-R528 PolarHBondContact O-N 3.4Å
525	D	84.8	Confident	79.5	Confident	66 Å²	66	85.9 Å²	85.9	35%	0.353	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-42.1	179	-65.3	-23.7	0	0	0	111.8	L505 Q521 R522 R528 A529	L505-D525 HydrophobicContact CD1-CB 4.41Å; Q521-D525 PolarHBondContact NE2-OD1 3.5Å; Q521-D525 VanDerWaalsContact O-CG 3.28Å; Q521-D525 PolarHBondContact O-N 2.78Å; R522-D525 PolarHBondContact O-N 2.88Å; D525-R528 PolarHBondContact O-N 3.16Å; D525-A529 WeakPolarHBondContact O-CB 3.06Å; D525-A529 PolarHBondContact O-N 3.34Å
526	F	86.4	Confident	81.7	Confident	7 Å²	7	82.8 Å²	82.8	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-41.7	173.9	-96.7	-89.2	0	0	0	112.1	P294 T316 A502 L505 T506 R522 N523 V524 A529 I530	P294-F526 HydrophobicContact CG-CB 3.96Å; P294-F526 HydrophobicContact CG-CD1 3.64Å; P294-F526 HydrophobicContact CG-CD2 4.19Å; P294-F526 HydrophobicContact CG-CE1 4.13Å; P294-F526 HydrophobicContact CG-CG 3.67Å; T316-F526 HydrophobicContact CG2-CB 3.94Å; A502-F526 HydrophobicContact CB-CD1 3.85Å; A502-F526 HydrophobicContact CB-CE1 3.74Å; L505-F526 HydrophobicContact CB-CD2 4.35Å; L505-F526 HydrophobicContact CB-CE1 4.28Å; L505-F526 HydrophobicContact CB-CE2 3.82Å; L505-F526 HydrophobicContact CB-CZ 3.78Å; L505-F526 HydrophobicContact CD1-CD2 4.18Å; L505-F526 HydrophobicContact CD1-CE2 4.47Å; L505-F526 HydrophobicContact CD1-CG 4.2Å; T506-F526 HydrophobicContact CG2-CE1 3.86Å; T506-F526 HydrophobicContact CG2-CZ 3.8Å; R522-F526 HydrophobicContact CG-CD2 3.97Å; R522-F526 HydrophobicContact CG-CE2 4.01Å; R522-F526 WeakPolarHBondContact O-CD2 3.41Å; R522-F526 PolarHBondContact O-N 3.35Å; N523-F526 PolarHBondContact O-N 3.1Å; V524-F526 PolarHBondContact O-N 3.21Å; F526-A529 PolarHBondContact O-N 3.02Å; F526-I530 PolarHBondContact O-N 3.26Å; F526-I530 VanDerWaalsContact O-N 3.12Å
527	T	87.1	Confident	83.5	Confident	52 Å²	52	76.8 Å²	76.8	32%	0.319	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-49.2	177.9	-56.9	0	0	0	0	110	T316 N523 V524 A529 I530 T531	T316-T527 PolarHBondContact OG1-OG1 2.93Å; N523-T527 WeakPolarHBondContact O-CB 3.36Å; N523-T527 PolarHBondContact O-N 3.3Å; N523-T527 PolarHBondContact O-OG1 3.18Å; V524-T527 PolarHBondContact O-N 3.34Å; T527-A529 VanDerWaalsContact C-N 3.26Å; T527-A529 PolarHBondContact O-N 3.2Å; T527-I530 WeakPolarHBondContact O-CG1 3.39Å; T527-I530 PolarHBondContact O-N 3.07Å; T527-T531 PolarHBondContact O-N 2.9Å; T527-T531 PolarHBondContact O-OG1 3.46Å
528	R	88.7	Confident	85.2	Confident	198 Å²	198	74.9 Å²	74.9	75%	0.747	38%	0.375	S	S	*	.	H	α-helix	trans	-60.2	-35.8	175.7	-173.5	179.2	179.1	-179.1	2.8	112.6	V524 D525 I530	V524-R528 PolarHBondContact O-N 3.4Å; D525-R528 PolarHBondContact O-N 3.16Å; R528-I530 VanDerWaalsContact C-N 3.35Å
529	A	91.4	Very high	86.8	Confident	15 Å²	15	70.7 Å²	70.7	12%	0.124	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-34.4	179.1	0	0	0	0	0	112.5	V217 H501 L505 D525 F526 T527	V217-A529 VanDerWaalsContact CG2-O 3.28Å; V217-A529 WeakPolarHBondContact CG2-O 3.49Å; H501-A529 VanDerWaalsContact CB-O 3.23Å; H501-A529 WeakPolarHBondContact CB-O 3.47Å; L505-A529 HydrophobicContact CD1-CB 3.61Å; D525-A529 WeakPolarHBondContact O-CB 3.06Å; D525-A529 PolarHBondContact O-N 3.34Å; F526-A529 PolarHBondContact O-N 3.02Å; T527-A529 VanDerWaalsContact C-N 3.26Å; T527-A529 PolarHBondContact O-N 3.2Å
530	I	92.2	Very high	88.3	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-90.4	-16.8	-180	67.8	167.3	0	0	0	113.4	V296 M314 T316 A502 F526 T527 R528 V532	V296-I530 HydrophobicContact CG1-CD1 3.85Å; V296-I530 HydrophobicContact CG2-CD1 4.42Å; M314-I530 HydrophobicContact CB-CD1 4.22Å; M314-I530 WeakPolarHBondContact CE-O 3.42Å; T316-I530 HydrophobicContact CG2-CD1 3.68Å; T316-I530 HydrophobicContact CG2-CG1 4.29Å; A502-I530 HydrophobicContact CB-CG2 4.38Å; F526-I530 PolarHBondContact O-N 3.26Å; F526-I530 VanDerWaalsContact O-N 3.12Å; T527-I530 WeakPolarHBondContact O-CG1 3.39Å; T527-I530 PolarHBondContact O-N 3.07Å; R528-I530 VanDerWaalsContact C-N 3.35Å; I530-V532 PolarHBondContact O-N 3.08Å; I530-V532 VanDerWaalsContact O-N 3.13Å
531	T	92.5	Very high	89.7	Confident	80 Å²	80	62.4 Å²	62.4	49%	0.491	31%	0.313	S	S	.	.			trans	-69	109.4	176.8	-59.2	0	0	0	0	110.4	V217 T527	V217-T531 WeakPolarHBondContact CG1-O 3.49Å; T527-T531 PolarHBondContact O-N 2.9Å; T527-T531 PolarHBondContact O-OG1 3.46Å
532	V	95.2	Very high	90.7	Very high	12 Å²	12	57.5 Å²	57.5	7%	0.073	29%	0.29	C	S	.	.			trans	-70.3	152.9	175.8	-66.5	0	0	0	0	112.2	D216 M314 I530 I536 R537 Y541	D216-V532 HydrophobicContact CB-CG1 4.41Å; M314-V532 HydrophobicContact CE-CG1 4.07Å; I530-V532 PolarHBondContact O-N 3.08Å; I530-V532 VanDerWaalsContact O-N 3.13Å; V532-I536 HydrophobicContact CB-CD1 4.37Å; V532-I536 HydrophobicContact CB-CG1 4.34Å; V532-R537 HydrophobicContact CG2-CB 4.23Å; V532-R537 HydrophobicContact CG2-CG 4.34Å; V532-Y541 HydrophobicContact CG1-CD2 4.14Å; V532-Y541 HydrophobicContact CG1-CE1 4.1Å; V532-Y541 HydrophobicContact CG1-CE2 3.53Å; V532-Y541 HydrophobicContact CG2-CE1 4.22Å
533	H	96.5	Very high	91.6	Very high	60 Å²	60	54.7 Å²	54.7	28%	0.278	28%	0.28	S	S	.	.			trans	-62.4	141.7	176.2	-169.7	-72.7	0	0	0	111.3	D216 G220 N535 I536 R537	D216-H533 VanDerWaalsContact O-CB 3.29Å; D216-H533 WeakPolarHBondContact O-CB 3.46Å; D216-H533 PolarHBondContact O-N 3.1Å; G220-H533 VanDerWaalsContact CA-CB 3.42Å; H533-N535 VanDerWaalsContact C-N 3.27Å; H533-N535 PolarHBondContact CE1-ND2 3.1Å; H533-N535 VanDerWaalsContact CE1-ND2 3.34Å; H533-N535 PolarHBondContact CE1-OD1 3.37Å; H533-N535 WeakPolarHBondContact ND1-CB 3.39Å; H533-N535 PolarHBondContact ND1-N 3.18Å; H533-N535 PolarHBondContact O-N 3.17Å; H533-N535 VanDerWaalsContact O-N 3.16Å; H533-I536 WeakPolarHBondContact O-CG1 3.29Å; H533-I536 PolarHBondContact O-N 3.21Å; H533-R537 PolarHBondContact O-N 3.34Å
534	D	94.4	Very high	92.3	Very high	116 Å²	116	53.9 Å²	53.9	62%	0.62	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55.7	-39.1	-173.2	-70.6	-40.5	0	0	0	113.4	I536 R537	D534-I536 PolarHBondContact O-N 3.38Å; D534-R537 WeakPolarHBondContact O-CB 3.17Å; D534-R537 PolarHBondContact O-N 3.11Å; D534-R537 VanDerWaalsContact O-N 3.1Å; D534-R537 IonicContact OD1-NH1 3.93Å
535	N	94.3	Very high	92.9	Very high	122 Å²	122	52.1 Å²	52.1	65%	0.652	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-48.7	-30.6	175.5	-66.4	0.7	0	0	0	115.4	H533	H533-N535 VanDerWaalsContact C-N 3.27Å; H533-N535 PolarHBondContact CE1-ND2 3.1Å; H533-N535 VanDerWaalsContact CE1-ND2 3.34Å; H533-N535 PolarHBondContact CE1-OD1 3.37Å; H533-N535 WeakPolarHBondContact ND1-CB 3.39Å; H533-N535 PolarHBondContact ND1-N 3.18Å; H533-N535 PolarHBondContact O-N 3.17Å; H533-N535 VanDerWaalsContact O-N 3.16Å
536	I	95.1	Very high	93.3	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-116.6	2.5	-177.2	63.4	163.9	0	0	0	112.9	D216 G220 M222 V532 H533 D534 L538 S539 Y541	D216-I536 HydrophobicContact CB-CD1 3.71Å; D216-I536 WeakPolarHBondContact O-CD1 3.34Å; G220-I536 WeakPolarHBondContact O-CG2 3.24Å; M222-I536 HydrophobicContact CE-CG2 4.5Å; V532-I536 HydrophobicContact CB-CD1 4.37Å; V532-I536 HydrophobicContact CB-CG1 4.34Å; H533-I536 WeakPolarHBondContact O-CG1 3.29Å; H533-I536 PolarHBondContact O-N 3.21Å; D534-I536 PolarHBondContact O-N 3.38Å; I536-L538 VanDerWaalsContact C-N 3.26Å; I536-L538 PolarHBondContact O-N 3.01Å; I536-S539 WeakPolarHBondContact CB-OG 3.33Å; I536-S539 WeakPolarHBondContact O-CB 3.44Å; I536-S539 PolarHBondContact O-N 3.34Å; I536-S539 PolarHBondContact O-OG 3.2Å; I536-Y541 HydrophobicContact CD1-CD2 4.34Å; I536-Y541 HydrophobicContact CD1-CG 4.02Å
537	R	93.7	Very high	93.7	Very high	89 Å²	89	53.9 Å²	53.9	34%	0.336	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.3	-172.8	-175.7	177.2	178.1	179.7	0.6	113.7	E333 V532 H533 D534	E333-R537 IonicContact OE1-NH2 3.06Å; E333-R537 PolarHBondContact OE1-NH2 2.89Å; E333-R537 IonicContact OE2-CZ 3.54Å; E333-R537 IonicContact OE2-NE 2.76Å; E333-R537 IonicContact OE2-NH2 3.57Å; E333-R537 PolarHBondContact OE2-NH2 3.02Å; V532-R537 HydrophobicContact CG2-CB 4.23Å; V532-R537 HydrophobicContact CG2-CG 4.34Å; H533-R537 PolarHBondContact O-N 3.34Å; D534-R537 WeakPolarHBondContact O-CB 3.17Å; D534-R537 PolarHBondContact O-N 3.11Å; D534-R537 VanDerWaalsContact O-N 3.1Å; D534-R537 IonicContact OD1-NH1 3.93Å
538	L	93.9	Very high	94.1	Very high	116 Å²	116	54.1 Å²	54.1	61%	0.607	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	4.3	175.9	-63.4	179.2	0	0	0	113.3	A337 I536	A337-L538 HydrophobicContact CB-CD2 4.04Å; I536-L538 VanDerWaalsContact C-N 3.26Å; I536-L538 PolarHBondContact O-N 3.01Å
539	S	95.1	Very high	94.5	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	163.7	179.3	77.9	0	0	0	0	112.2	M222 I536 Y541	M222-S539 VanDerWaalsContact CE-OG 3.28Å; M222-S539 WeakPolarHBondContact CE-OG 3.15Å; I536-S539 WeakPolarHBondContact CB-OG 3.33Å; I536-S539 WeakPolarHBondContact O-CB 3.44Å; I536-S539 PolarHBondContact O-N 3.34Å; I536-S539 PolarHBondContact O-OG 3.2Å; S539-Y541 WeakPolarHBondContact O-CD1 3.48Å; S539-Y541 PolarHBondContact O-N 2.94Å; S539-Y541 PolarHBondContact OG-N 3.02Å
540	M	96.7	Very high	94.7	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.049	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	44.8	172.5	-64.6	-172.4	79.7	0	0	112.5	M252 Y310 F490 F542 I543	M252-M540 HydrophobicContact CB-SD 4.38Å; M252-M540 HydrophobicContact CE-CE 3.28Å; M252-M540 HydrophobicContact CE-SD 3.62Å; Y310-M540 HydrophobicContact CD2-CE 4.28Å; Y310-M540 WeakPolarHBondContact O-CG 3.35Å; F490-M540 HydrophobicContact CD1-CE 4.33Å; F490-M540 HydrophobicContact CD2-CE 4.15Å; F490-M540 HydrophobicContact CE1-CE 3.97Å; F490-M540 HydrophobicContact CE2-CE 3.77Å; F490-M540 HydrophobicContact CG-CE 4.43Å; F490-M540 HydrophobicContact CZ-CE 3.66Å; M540-F542 HydrophobicContact CB-CZ 4.32Å; M540-F542 HydrophobicContact CE-CE2 4.19Å; M540-F542 HydrophobicContact CE-CZ 4.32Å; M540-F542 HydrophobicContact CG-CZ 4.27Å; M540-F542 PolarHBondContact O-N 3.28Å; M540-I543 HydrophobicContact CB-CG1 3.75Å; M540-I543 HydrophobicContact CE-CD1 3.87Å; M540-I543 HydrophobicContact CE-CG1 3.91Å; M540-I543 VanDerWaalsContact O-CB 3.32Å; M540-I543 WeakPolarHBondContact O-CB 2.93Å; M540-I543 WeakPolarHBondContact O-CG1 2.83Å; M540-I543 PolarHBondContact O-N 2.98Å
541	Y	97	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.4	-175.9	72.4	-81.9	0	0	0	113.2	D216 M314 R497 H501 V532 I536 S539 I543	D216-Y541 HydrophobicContact CB-CD2 4.44Å; M314-Y541 WeakPolarHBondContact CE-OH 3.47Å; M314-Y541 PolarHBondContact SD-OH 3.27Å; M314-Y541 VanDerWaalsContact SD-OH 3.33Å; R497-Y541 HydrophobicContact CG-CD2 4.2Å; R497-Y541 HydrophobicContact CG-CE2 3.69Å; R497-Y541 PolarHBondContact NH1-O 3.04Å; R497-Y541 PolarHBondContact NH2-O 3.23Å; H501-Y541 AromaticContact CE1-CE2 3.93Å; V532-Y541 HydrophobicContact CG1-CD2 4.14Å; V532-Y541 HydrophobicContact CG1-CE1 4.1Å; V532-Y541 HydrophobicContact CG1-CE2 3.53Å; V532-Y541 HydrophobicContact CG2-CE1 4.22Å; I536-Y541 HydrophobicContact CD1-CD2 4.34Å; I536-Y541 HydrophobicContact CD1-CG 4.02Å; S539-Y541 WeakPolarHBondContact O-CD1 3.48Å; S539-Y541 PolarHBondContact O-N 2.94Å; S539-Y541 PolarHBondContact OG-N 3.02Å; Y541-I543 PolarHBondContact O-N 3.29Å
542	F	96.1	Very high	95.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.1	-179.9	50.5	-97.2	0	0	0	114.6	V300 A312 F490 L493 A494 R497 M540	V300-F542 HydrophobicContact CG1-CZ 4.48Å; A312-F542 HydrophobicContact CB-CD1 3.76Å; A312-F542 HydrophobicContact CB-CE1 3.65Å; F490-F542 HydrophobicContact CB-CD2 4.4Å; F490-F542 HydrophobicContact CB-CE2 3.69Å; F490-F542 HydrophobicContact CB-CZ 4.36Å; F490-F542 HydrophobicContact CD1-CE2 4.12Å; F490-F542 AromaticContact CG-CE2 3.95Å; F490-F542 HydrophobicContact CG-CE2 3.95Å; L493-F542 HydrophobicContact CB-CB 4.48Å; L493-F542 HydrophobicContact CB-CD2 4.25Å; A494-F542 HydrophobicContact CB-CB 4.05Å; A494-F542 HydrophobicContact CB-CD1 4.28Å; A494-F542 HydrophobicContact CB-CG 4.09Å; R497-F542 HydrophobicContact CB-CB 4.48Å; R497-F542 VanDerWaalsContact NH2-C 3.28Å; R497-F542 VanDerWaalsContact NH2-CA 3.34Å; R497-F542 PolarHBondContact NH2-O 2.84Å; M540-F542 HydrophobicContact CB-CZ 4.32Å; M540-F542 HydrophobicContact CE-CE2 4.19Å; M540-F542 HydrophobicContact CE-CZ 4.32Å; M540-F542 HydrophobicContact CG-CZ 4.27Å; M540-F542 PolarHBondContact O-N 3.28Å
543	I	93.6	Very high	95.1	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.036	26%	0.256	C	S	.	.			trans	-68.3	0	178.4	-67.8	-70.6	0	0	0	113.9	T249 M252 K253 R477 F490 L493 M540 Y541	T249-I543 HydrophobicContact CG2-CG2 4Å; M252-I543 HydrophobicContact CE-CD1 3.89Å; M252-I543 HydrophobicContact CE-CG1 4.23Å; M252-I543 HydrophobicContact SD-CG2 4.46Å; K253-I543 WeakPolarHBondContact CE-O 3.24Å; K253-I543 PolarHBondContact NZ-O 2.91Å; R477-I543 HydrophobicContact CG-CD1 3.91Å; R477-I543 HydrophobicContact CG-CG2 3.71Å; R477-I543 PolarHBondContact NE-OXT 3.39Å; R477-I543 PolarHBondContact NH2-OXT 2.69Å; F490-I543 HydrophobicContact CD1-CD1 3.68Å; F490-I543 HydrophobicContact CE1-CD1 3.45Å; F490-I543 VanDerWaalsContact CE1-CD1 3.45Å; F490-I543 HydrophobicContact CZ-CD1 4.4Å; L493-I543 HydrophobicContact CD1-CD1 4.12Å; M540-I543 HydrophobicContact CB-CG1 3.75Å; M540-I543 HydrophobicContact CE-CD1 3.87Å; M540-I543 HydrophobicContact CE-CG1 3.91Å; M540-I543 VanDerWaalsContact O-CB 3.32Å; M540-I543 WeakPolarHBondContact O-CB 2.93Å; M540-I543 WeakPolarHBondContact O-CG1 2.83Å; M540-I543 PolarHBondContact O-N 2.98Å; Y541-I543 PolarHBondContact O-N 3.29Å

Retrieved 543 of 543 residues in 164.5 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).