A0A096MUX5_PAPAN Loading...

Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase

AlphaFold DB (G7N6I4), UniProt , Accession A0A096MUX5, Species PAPAN (Papio anubis, Olive baboon), Gene ST8SIA1, Length 356 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	38	Very low	34	Very low	246 Å²	246	169.5 Å²	169.5	100%	1.212	90%	0.899	S	S	*	*				0	105.6	0	-82.9	168.6	149.9	0	0	108.4
2	S	35.6	Very low	34.1	Very low	116 Å²	116	165 Å²	165	81%	0.811	89%	0.892	S	S	*	*			trans	-68.9	152.8	155.8	-56.9	0	0	0	0	108.7
3	P	43.3	Very low	34.3	Very low	121 Å²	121	171.5 Å²	171.5	79%	0.786	90%	0.896	S	S	*	*				-137.5	148.9	82.5	32.2	-14	0	0	0	111.6
4	C	29	Very low	34.2	Very low	136 Å²	136	164.4 Å²	164.4	92%	0.919	89%	0.885	S	S	*	*				62.7	108.7	57.1	-131.7	0	0	0	0	114.3
5	G	32.5	Very low	34.4	Very low	84 Å²	84	159.9 Å²	159.9	87%	0.866	88%	0.879	S	S	*	*			trans	175.7	109.6	170.4	0	0	0	0	0	113.8
6	R	33.4	Very low	34.5	Very low	249 Å²	249	161.4 Å²	161.4	94%	0.94	88%	0.88	S	S	*	*			trans	-88.3	150.5	-168.8	-107	175.2	176.6	172.3	-1.4	114.3
7	A	32.8	Very low	34.6	Very low	92 Å²	92	157.1 Å²	157.1	76%	0.76	87%	0.871	S	S	*	*			trans	68.4	123.1	135.7	0	0	0	0	0	121.8
8	R	31.6	Very low	34.8	Very low	247 Å²	247	155.6 Å²	155.6	93%	0.932	87%	0.867	S	S	*	*				-172.1	138.1	99.6	-119.5	175.3	177.3	175.2	-1	112.1
9	R	32.2	Very low	34.9	Very low	240 Å²	240	155.6 Å²	155.6	91%	0.906	86%	0.864	S	S	*	*			trans	-65.6	136.4	167.3	-81.2	174.7	172.2	172.9	-3.2	110.2
10	Q	32.9	Very low	35.2	Very low	195 Å²	195	151.6 Å²	151.6	91%	0.911	85%	0.852	S	S	*	*			trans	-141.1	107	147.9	-128.8	172.3	-0.6	0	0	108.7	S12	Q10-S12 PolarHBondContact O-N 3.4Å
11	T	32.9	Very low	35.1	Very low	138 Å²	138	154.5 Å²	154.5	85%	0.847	85%	0.85	S	S	*	*			trans	-73.3	111.6	171.6	42.7	0	0	0	0	108.8
12	S	34.8	Very low	35.1	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	83%	0.833	S	S	*	*			trans	-108.1	114.7	163.7	178.3	0	0	0	0	108.5	Q10 G14	Q10-S12 PolarHBondContact O-N 3.4Å; S12-G14 PolarHBondContact O-N 3.08Å
13	R	37.2	Very low	35.3	Very low	250 Å²	250	154.2 Å²	154.2	94%	0.943	83%	0.828	S	S	*	*			trans	-65.3	96.5	169.9	-82.1	174.5	162.4	176.3	-5.5	108.5	A15	R13-A15 PolarHBondContact O-N 3.35Å
14	G	33.2	Very low	35.1	Very low	72 Å²	72	153.6 Å²	153.6	74%	0.742	82%	0.823	S	S	*	*			trans	-80.9	98.4	164.8	0	0	0	0	0	109.7	S12 M16	S12-G14 PolarHBondContact O-N 3.08Å; G14-M16 PolarHBondContact O-N 3.26Å
15	A	36.6	Very low	36	Very low	96 Å²	96	158.7 Å²	158.7	79%	0.793	82%	0.823	S	S	*	*			trans	-63.7	122.7	167.1	0	0	0	0	0	108.9	R13 A17	R13-A15 PolarHBondContact O-N 3.35Å; A15-A17 PolarHBondContact O-N 3.12Å
16	M	35.5	Very low	36.7	Very low	184 Å²	184	160.6 Å²	160.6	91%	0.906	82%	0.818	S	S	*	*			trans	-65	103.6	165.9	-79.5	-148.1	-142.7	0	0	108.4	G14 V18	G14-M16 PolarHBondContact O-N 3.26Å; M16-V18 PolarHBondContact O-N 3.28Å; M16-V18 VanDerWaalsContact O-N 3.1Å
17	A	36.4	Very low	37.6	Very low	88 Å²	88	159.8 Å²	159.8	73%	0.727	82%	0.815	S	S	*	*			trans	-70	100.9	165	0	0	0	0	0	108.1	A15 L19	A15-A17 PolarHBondContact O-N 3.12Å; A17-L19 PolarHBondContact O-N 3.29Å
18	V	39.1	Very low	38.4	Very low	130 Å²	130	161.1 Å²	161.1	79%	0.788	81%	0.809	S	S	*	*			trans	-64.4	102.2	166	178.5	0	0	0	0	107	M16 A20	M16-V18 PolarHBondContact O-N 3.28Å; M16-V18 VanDerWaalsContact O-N 3.1Å; V18-A20 PolarHBondContact O-N 3.36Å
19	L	36.8	Very low	39.4	Very low	157 Å²	157	153.7 Å²	153.7	82%	0.822	79%	0.793	S	S	*	*			trans	-67.3	84.7	166.9	-97.7	138.9	0	0	0	108.1	A17 W21	A17-L19 PolarHBondContact O-N 3.29Å; L19-W21 PolarHBondContact O-N 2.92Å
20	A	39.4	Very low	40.4	Very low	75 Å²	75	150.4 Å²	150.4	62%	0.62	79%	0.79	S	S	*	*			trans	-66.9	100.7	165.5	0	0	0	0	0	107.8	V18 K22	V18-A20 PolarHBondContact O-N 3.36Å; A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 2.8Å
21	W	34.2	Very low	41.5	Very low	213 Å²	213	143.1 Å²	143.1	81%	0.807	77%	0.767	S	S	*	*			trans	-59.8	94.5	161.4	-102.9	25.7	0	0	0	108.1	L19 F23	L19-W21 PolarHBondContact O-N 2.92Å; W21-F23 VanDerWaalsContact C-N 3.28Å; W21-F23 HydrophobicContact CE3-CE2 4.05Å; W21-F23 HydrophobicContact CE3-CZ 4.23Å; W21-F23 HydrophobicContact CZ3-CZ 4.39Å; W21-F23 PolarHBondContact O-N 3.33Å
22	K	37.3	Very low	42.7	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.857	74%	0.744	S	S	*	*			trans	-69.6	92.4	164	-74.9	-175.5	178.6	179.7	0	106.9	A20	A20-K22 VanDerWaalsContact C-N 3.26Å; A20-K22 PolarHBondContact O-N 2.8Å
23	F	39.8	Very low	44.1	Very low	159 Å²	159	135.8 Å²	135.8	70%	0.697	72%	0.724	S	S	*	*			trans	-52.6	129.5	156.4	-86.1	-87.8	0	0	0	107.4	W21 R25	W21-F23 VanDerWaalsContact C-N 3.28Å; W21-F23 HydrophobicContact CE3-CE2 4.05Å; W21-F23 HydrophobicContact CE3-CZ 4.23Å; W21-F23 HydrophobicContact CZ3-CZ 4.39Å; W21-F23 PolarHBondContact O-N 3.33Å; F23-R25 PolarHBondContact O-N 3.2Å
24	P	38.9	Very low	45.6	Very low	107 Å²	107	126.4 Å²	126.4	70%	0.695	70%	0.7	S	S	*	*			trans	-61.9	111	166.8	20.9	-20.7	0	0	0	105.7	T26	P24-T26 PolarHBondContact O-N 2.86Å
25	R	48.2	Very low	47.5	Very low	244 Å²	244	128.4 Å²	128.4	92%	0.921	69%	0.693	S	S	*	*			trans	-64.6	83.2	160.6	-84.8	-178.2	173.9	165.9	-2.3	105.8	F23 R27	F23-R25 PolarHBondContact O-N 3.2Å; R25-R27 PolarHBondContact O-N 3.24Å
26	T	47.5	Very low	49.3	Very low	124 Å²	124	127.4 Å²	127.4	76%	0.761	68%	0.679	S	S	*	*			trans	-58.7	100.5	154.8	35.2	0	0	0	0	104.8	P24 L28	P24-T26 PolarHBondContact O-N 2.86Å; T26-L28 VanDerWaalsContact C-N 3.31Å; T26-L28 PolarHBondContact O-N 2.89Å
27	R	51.4	Low	51.4	Low	231 Å²	231	122.7 Å²	122.7	87%	0.872	66%	0.661	S	S	*	*			trans	-54.6	109.2	160.6	-75.9	-174.6	-177.5	-172	1.2	103.9	R25 P29	R25-R27 PolarHBondContact O-N 3.24Å; R27-P29 WeakPolarHBondContact O-CD 3.46Å
28	L	49.7	Very low	53.3	Low	120 Å²	120	122.9 Å²	122.9	63%	0.628	65%	0.653	S	S	*	*			trans	-47.1	122.2	158.5	-95.9	127.7	0	0	0	104.9	T26 M30 A32	T26-L28 VanDerWaalsContact C-N 3.31Å; T26-L28 PolarHBondContact O-N 2.89Å; L28-M30 PolarHBondContact O-N 2.87Å; L28-M30 VanDerWaalsContact O-N 3.13Å; L28-A32 HydrophobicContact CD2-CB 4.16Å
29	P	52.7	Low	55.1	Low	91 Å²	91	120.3 Å²	120.3	59%	0.591	64%	0.637	S	S	*	*			trans	-54	130.2	179.9	19.5	-28.3	0	0	0	106.1	R27 G31 A32	R27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-G31 CarbonylContact O-C 3.59Å; P29-G31 PolarHBondContact O-N 3.47Å; P29-A32 HydrophobicContact CG-CB 4.02Å; P29-A32 WeakPolarHBondContact O-CB 3.29Å; P29-A32 PolarHBondContact O-N 3.22Å
30	M	54.9	Low	57	Low	171 Å²	171	117.9 Å²	117.9	84%	0.842	62%	0.624	S	S	*	*	H	α-helix	trans	-52.4	-25.2	-174.7	-60.6	-166.1	-42.6	0	0	112	L28 A34	L28-M30 PolarHBondContact O-N 2.87Å; L28-M30 VanDerWaalsContact O-N 3.13Å; M30-A34 VanDerWaalsContact O-CB 3.28Å; M30-A34 WeakPolarHBondContact O-CB 3.46Å; M30-A34 PolarHBondContact O-N 3.48Å
31	G	55.2	Low	58.6	Low	43 Å²	43	117.1 Å²	117.1	44%	0.443	61%	0.614	S	S	.	*	H	α-helix	trans	-62	-36.2	171	0	0	0	0	0	115.4	P29 L35	P29-G31 CarbonylContact O-C 3.59Å; P29-G31 PolarHBondContact O-N 3.47Å; G31-L35 VanDerWaalsContact O-CB 3.26Å; G31-L35 WeakPolarHBondContact O-CB 3.31Å; G31-L35 PolarHBondContact O-N 3.47Å
32	A	57.8	Low	60.3	Low	42 Å²	42	114.4 Å²	114.4	35%	0.347	60%	0.603	S	S	.	*	H	α-helix	trans	-71.9	-38.6	177.4	0	0	0	0	0	112	L28 P29 C36	L28-A32 HydrophobicContact CD2-CB 4.16Å; P29-A32 HydrophobicContact CG-CB 4.02Å; P29-A32 WeakPolarHBondContact O-CB 3.29Å; P29-A32 PolarHBondContact O-N 3.22Å; A32-C36 WeakPolarHBondContact O-CB 3.5Å; A32-C36 PolarHBondContact O-N 3.3Å
33	S	63.6	Low	61.7	Low	57 Å²	57	108.7 Å²	108.7	40%	0.399	58%	0.582	S	S	.	*	H	α-helix	trans	-68.9	-41.2	173.9	-56.3	0	0	0	0	111.5	C36 V37	S33-C36 PolarHBondContact O-N 3.26Å; S33-V37 VanDerWaalsContact O-CG2 3.32Å; S33-V37 WeakPolarHBondContact O-CG2 3.3Å; S33-V37 PolarHBondContact O-N 3.3Å
34	A	69.1	Low	62.9	Low	54 Å²	54	110.9 Å²	110.9	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-65.2	-42.1	174.5	0	0	0	0	0	112.2	M30 C36 V37 V38	M30-A34 VanDerWaalsContact O-CB 3.28Å; M30-A34 WeakPolarHBondContact O-CB 3.46Å; M30-A34 PolarHBondContact O-N 3.48Å; A34-C36 PolarHBondContact O-N 3.14Å; A34-V37 PolarHBondContact O-N 3.12Å; A34-V38 WeakPolarHBondContact O-CB 3.31Å; A34-V38 VanDerWaalsContact O-CG2 3.24Å; A34-V38 WeakPolarHBondContact O-CG2 3.15Å; A34-V38 PolarHBondContact O-N 2.9Å
35	L	72.4	Confident	64	Low	114 Å²	114	111.1 Å²	111.1	60%	0.597	58%	0.581	S	S	*	*	H	α-helix	trans	-60.6	-42.6	173.3	-99.5	151.5	0	0	0	112	G31 V38 V39	G31-L35 VanDerWaalsContact O-CB 3.26Å; G31-L35 WeakPolarHBondContact O-CB 3.31Å; G31-L35 PolarHBondContact O-N 3.47Å; L35-V38 PolarHBondContact O-N 3.46Å; L35-V39 WeakPolarHBondContact O-CB 3.23Å; L35-V39 VanDerWaalsContact O-CG2 3.25Å; L35-V39 WeakPolarHBondContact O-CG2 3.17Å; L35-V39 PolarHBondContact O-N 2.85Å
36	C	75.3	Confident	64.4	Low	74 Å²	74	104.9 Å²	104.9	50%	0.5	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-42.9	178	-159	0	0	0	0	111.4	A32 S33 A34 V39 L40	A32-C36 WeakPolarHBondContact O-CB 3.5Å; A32-C36 PolarHBondContact O-N 3.3Å; S33-C36 PolarHBondContact O-N 3.26Å; A34-C36 PolarHBondContact O-N 3.14Å; C36-V39 PolarHBondContact O-N 3.39Å; C36-L40 WeakPolarHBondContact O-CB 3.43Å; C36-L40 VanDerWaalsContact O-CG 3.22Å; C36-L40 WeakPolarHBondContact O-CG 3.24Å; C36-L40 PolarHBondContact O-N 3.03Å
37	V	78.8	Confident	64.9	Low	86 Å²	86	103.9 Å²	103.9	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-63.3	-42.6	173.9	173.3	0	0	0	0	111	S33 A34 L40 C41	S33-V37 VanDerWaalsContact O-CG2 3.32Å; S33-V37 WeakPolarHBondContact O-CG2 3.3Å; S33-V37 PolarHBondContact O-N 3.3Å; A34-V37 PolarHBondContact O-N 3.12Å; V37-L40 PolarHBondContact O-N 2.64Å; V37-C41 WeakPolarHBondContact O-CB 3.44Å; V37-C41 PolarHBondContact O-N 3.19Å; V37-C41 PolarHBondContact O-SG 3.38Å
38	V	77.4	Confident	65.5	Low	92 Å²	92	97.5 Å²	97.5	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-63	-43.9	176.1	169.8	0	0	0	0	111	A34 L35 C41 W42	A34-V38 WeakPolarHBondContact O-CB 3.31Å; A34-V38 VanDerWaalsContact O-CG2 3.24Å; A34-V38 WeakPolarHBondContact O-CG2 3.15Å; A34-V38 PolarHBondContact O-N 2.9Å; L35-V38 PolarHBondContact O-N 3.46Å; V38-C41 PolarHBondContact O-N 3.27Å; V38-W42 WeakPolarHBondContact O-CB 3.35Å; V38-W42 PolarHBondContact O-N 2.88Å
39	V	77.2	Confident	66.5	Low	75 Å²	75	97.9 Å²	97.9	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-43	177	170.2	0	0	0	0	111.3	L35 C36 W42 L43	L35-V39 WeakPolarHBondContact O-CB 3.23Å; L35-V39 VanDerWaalsContact O-CG2 3.25Å; L35-V39 WeakPolarHBondContact O-CG2 3.17Å; L35-V39 PolarHBondContact O-N 2.85Å; C36-V39 PolarHBondContact O-N 3.39Å; V39-W42 WeakPolarHBondContact O-CB 3.43Å; V39-W42 PolarHBondContact O-N 2.7Å; V39-L43 HydrophobicContact CG1-CD1 4.03Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CB 3.44Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.33Å
40	L	76.4	Confident	68	Low	106 Å²	106	101.9 Å²	101.9	56%	0.555	54%	0.54	S	S	*	.	H	α-helix	trans	-66.7	-41.6	176.7	-71.1	171.3	0	0	0	111.7	C36 V37 W42 L43 Y44	C36-L40 WeakPolarHBondContact O-CB 3.43Å; C36-L40 VanDerWaalsContact O-CG 3.22Å; C36-L40 WeakPolarHBondContact O-CG 3.24Å; C36-L40 PolarHBondContact O-N 3.03Å; V37-L40 PolarHBondContact O-N 2.64Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 2.74Å; L40-L43 PolarHBondContact O-N 3.27Å; L40-Y44 WeakPolarHBondContact O-CB 3.26Å; L40-Y44 PolarHBondContact O-N 2.96Å
41	C	72.6	Confident	69.5	Low	59 Å²	59	96.9 Å²	96.9	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-37.6	171	-74.2	0	0	0	0	111	V37 V38 Y44 I45	V37-C41 WeakPolarHBondContact O-CB 3.44Å; V37-C41 PolarHBondContact O-N 3.19Å; V37-C41 PolarHBondContact O-SG 3.38Å; V38-C41 PolarHBondContact O-N 3.27Å; C41-Y44 PolarHBondContact O-N 3.4Å; C41-I45 HydrophobicContact CB-CD1 4.25Å; C41-I45 WeakPolarHBondContact O-CB 3.44Å; C41-I45 WeakPolarHBondContact O-CD1 3.38Å; C41-I45 WeakPolarHBondContact O-CG1 3.35Å; C41-I45 PolarHBondContact O-N 3.47Å
42	W	69.3	Low	71.2	Confident	156 Å²	156	97.2 Å²	97.2	59%	0.591	51%	0.511	S	S	*	.	H	α-helix	trans	-68	-41.7	177.4	-158.3	85.3	0	0	0	111.2	V38 V39 L40 Y44 F46	V38-W42 WeakPolarHBondContact O-CB 3.35Å; V38-W42 PolarHBondContact O-N 2.88Å; V39-W42 WeakPolarHBondContact O-CB 3.43Å; V39-W42 PolarHBondContact O-N 2.7Å; L40-W42 VanDerWaalsContact C-N 3.3Å; L40-W42 PolarHBondContact O-N 2.74Å; W42-Y44 VanDerWaalsContact C-N 3.31Å; W42-Y44 PolarHBondContact O-N 3.05Å; W42-F46 AromaticContact CD1-CD2 3.7Å; W42-F46 AromaticContact CD1-CE2 3.82Å; W42-F46 HydrophobicContact CD2-CD2 4Å; W42-F46 AromaticContact CE2-CD2 3.82Å; W42-F46 AromaticContact CG-CD2 3.94Å; W42-F46 HydrophobicContact CG-CD2 3.94Å; W42-F46 HydrophobicContact CG-CE2 4.49Å; W42-F46 HydrophobicContact CZ2-CD2 4.48Å; W42-F46 AromaticContact NE1-CD2 3.61Å; W42-F46 AromaticContact NE1-CE2 3.66Å; W42-F46 WeakPolarHBondContact O-CA 3.29Å; W42-F46 VanDerWaalsContact O-CB 3.24Å; W42-F46 WeakPolarHBondContact O-CB 3.5Å; W42-F46 WeakPolarHBondContact O-CD2 3.42Å; W42-F46 PolarHBondContact O-N 2.91Å
43	L	66.5	Low	72.8	Confident	78 Å²	78	98.4 Å²	98.4	41%	0.408	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-27.3	173.3	-68.2	171.4	0	0	0	113.1	V39 L40 F46 V48	V39-L43 HydrophobicContact CG1-CD1 4.03Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CB 3.44Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.33Å; L40-L43 PolarHBondContact O-N 3.27Å; L43-F46 CarbonylContact O-C 3.51Å; L43-V48 HydrophobicContact CD2-CG2 3.39Å
44	Y	65	Low	74.1	Confident	204 Å²	204	98.6 Å²	98.6	80%	0.8	51%	0.506	S	S	*	.	H	α-helix	trans	-81.2	-41.1	176.5	-176.7	-97.5	0	0	0	112.5	L40 C41 W42	L40-Y44 WeakPolarHBondContact O-CB 3.26Å; L40-Y44 PolarHBondContact O-N 2.96Å; C41-Y44 PolarHBondContact O-N 3.4Å; W42-Y44 VanDerWaalsContact C-N 3.31Å; W42-Y44 PolarHBondContact O-N 3.05Å
45	I	63.3	Low	75.1	Confident	112 Å²	112	101.9 Å²	101.9	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-78.1	-37.1	179.2	-65.9	165.2	0	0	0	110.5	C41 P47	C41-I45 HydrophobicContact CB-CD1 4.25Å; C41-I45 WeakPolarHBondContact O-CB 3.44Å; C41-I45 WeakPolarHBondContact O-CD1 3.38Å; C41-I45 WeakPolarHBondContact O-CG1 3.35Å; C41-I45 PolarHBondContact O-N 3.47Å; I45-P47 VanDerWaalsContact O-CD 3.3Å; I45-P47 WeakPolarHBondContact O-CD 3.47Å
46	F	55.9	Low	76.1	Confident	114 Å²	114	100 Å²	100	50%	0.5	50%	0.499	S	S	.	.	S	Bend	trans	-113.4	82.9	173.3	-56.5	-79.4	0	0	0	108.1	W42 L43 V48	W42-F46 AromaticContact CD1-CD2 3.7Å; W42-F46 AromaticContact CD1-CE2 3.82Å; W42-F46 HydrophobicContact CD2-CD2 4Å; W42-F46 AromaticContact CE2-CD2 3.82Å; W42-F46 AromaticContact CG-CD2 3.94Å; W42-F46 HydrophobicContact CG-CD2 3.94Å; W42-F46 HydrophobicContact CG-CE2 4.49Å; W42-F46 HydrophobicContact CZ2-CD2 4.48Å; W42-F46 AromaticContact NE1-CD2 3.61Å; W42-F46 AromaticContact NE1-CE2 3.66Å; W42-F46 WeakPolarHBondContact O-CA 3.29Å; W42-F46 VanDerWaalsContact O-CB 3.24Å; W42-F46 WeakPolarHBondContact O-CB 3.5Å; W42-F46 WeakPolarHBondContact O-CD2 3.42Å; W42-F46 PolarHBondContact O-N 2.91Å; L43-F46 CarbonylContact O-C 3.51Å; F46-V48 PolarHBondContact O-N 3.28Å
47	P	58.4	Low	76.9	Confident	102 Å²	102	97.1 Å²	97.1	66%	0.662	48%	0.478	S	S	*	.			trans	-52.1	118.2	170.5	21.1	-30.9	0	0	0	107.4	I45 Y49	I45-P47 VanDerWaalsContact O-CD 3.3Å; I45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-Y49 PolarHBondContact O-N 2.8Å
48	V	64	Low	77.6	Confident	97 Å²	97	93 Å²	93	59%	0.588	45%	0.454	S	S	*	.			trans	-52.8	119.9	177.3	177	0	0	0	0	106.3	L43 F46 R50	L43-V48 HydrophobicContact CD2-CG2 3.39Å; F46-V48 PolarHBondContact O-N 3.28Å; V48-R50 PolarHBondContact O-N 3.36Å
49	Y	70.9	Confident	78.2	Confident	129 Å²	129	93.6 Å²	93.6	51%	0.506	45%	0.45	S	S	.	.			trans	-51.9	109.6	174.9	172.7	-100.1	0	0	0	108.2	P47 L51 E326	P47-Y49 PolarHBondContact O-N 2.8Å; Y49-L51 HydrophobicContact CE1-CG 4.08Å; Y49-E326 VanDerWaalsContact CE1-OE1 3.25Å; Y49-E326 WeakPolarHBondContact CE1-OE1 3.38Å; Y49-E326 VanDerWaalsContact OH-CG 3.31Å; Y49-E326 WeakPolarHBondContact OH-CG 3.45Å; Y49-E326 PolarHBondContact OH-OE1 2.98Å
50	R	84.3	Confident	78.9	Confident	174 Å²	174	91.4 Å²	91.4	66%	0.657	44%	0.443	S	S	*	.			trans	-118.1	116.6	-178.2	175	178.8	160.8	160.5	-9.8	107.7	V48 E56	V48-R50 PolarHBondContact O-N 3.36Å; R50-E56 IonicContact NH2-OE1 2.96Å; R50-E56 PolarHBondContact NH2-OE1 3.21Å; R50-E56 IonicContact NH2-OE2 3.86Å
51	L	86.8	Confident	79.6	Confident	66 Å²	66	87 Å²	87	35%	0.346	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-64.6	133.2	166	-84.4	170.5	0	0	0	109.4	Y49 E326 L329	Y49-L51 HydrophobicContact CE1-CG 4.08Å; L51-E326 HydrophobicContact CD1-CG 4Å; L51-E326 HydrophobicContact CD2-CG 3.76Å; L51-E326 HydrophobicContact CG-CG 4.34Å; L51-L329 HydrophobicContact CD2-CD1 3.71Å
52	P	89.7	Confident	80.4	Confident	50 Å²	50	88.8 Å²	88.8	33%	0.325	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59.6	142.7	171.9	-18.5	30.2	0	0	0	110.3	E56 I57	P52-E56 WeakPolarHBondContact CA-OE2 3.01Å; P52-E56 HydrophobicContact CB-CB 3.92Å; P52-E56 WeakPolarHBondContact CB-OE2 3.35Å; P52-I57 HydrophobicContact CB-CD1 3.77Å; P52-I57 HydrophobicContact CB-CG1 4.12Å; P52-I57 HydrophobicContact CG-CD1 4.04Å
53	N	91.7	Very high	81.4	Confident	68 Å²	68	89 Å²	89	36%	0.364	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-73.6	167.1	173.7	67.4	51.6	0	0	0	111.1	K55 E56 I57	N53-K55 PolarHBondContact O-N 3.41Å; N53-K55 WeakPolarHBondContact OD1-CB 2.99Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-E56 PolarHBondContact N-OE2 3.3Å; N53-E56 PolarHBondContact ND2-OE1 2.74Å; N53-E56 VanDerWaalsContact ND2-OE1 3.08Å; N53-E56 WeakPolarHBondContact O-CB 2.98Å; N53-E56 PolarHBondContact O-N 2.95Å; N53-E56 VanDerWaalsContact O-N 3.11Å; N53-E56 WeakPolarHBondContact OD1-CG 3.14Å; N53-E56 PolarHBondContact OD1-N 2.67Å; N53-I57 WeakPolarHBondContact O-CG1 3.2Å; N53-I57 PolarHBondContact O-N 2.67Å
54	E	90.8	Very high	82.3	Confident	60 Å²	60	89.3 Å²	89.3	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-58	-35.1	-174.8	-54.9	-165.5	142	0	0	113.1	I57 V58 F298 S299 V300	E54-I57 PolarHBondContact O-N 3.27Å; E54-V58 WeakPolarHBondContact O-CG2 3.46Å; E54-V58 PolarHBondContact O-N 3.18Å; E54-F298 HydrophobicContact CB-CD1 4.5Å; E54-F298 HydrophobicContact CG-CB 4.18Å; E54-F298 HydrophobicContact CG-CD1 3.82Å; E54-F298 HydrophobicContact CG-CG 4.34Å; E54-F298 VanDerWaalsContact OE1-CA 3.26Å; E54-F298 WeakPolarHBondContact OE1-CA 3.2Å; E54-F298 WeakPolarHBondContact OE1-CB 3.35Å; E54-S299 PolarHBondContact OE1-N 3.47Å; E54-S299 PolarHBondContact OE2-OG 2.74Å; E54-V300 HydrophobicContact CB-CG2 4.2Å
55	K	90.9	Very high	82.8	Confident	124 Å²	124	81.5 Å²	81.5	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-67.9	-44	177.6	-66.4	-173.7	169.2	-166.3	0	112	N53 I57 V58 Q59 E304	N53-K55 PolarHBondContact O-N 3.41Å; N53-K55 WeakPolarHBondContact OD1-CB 2.99Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; K55-I57 VanDerWaalsContact C-N 3.26Å; K55-I57 PolarHBondContact O-N 2.91Å; K55-V58 PolarHBondContact O-N 3.01Å; K55-Q59 WeakPolarHBondContact O-CB 3.45Å; K55-Q59 VanDerWaalsContact O-CG 3.32Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.36Å; K55-E304 VanDerWaalsContact CE-OE2 3.3Å; K55-E304 WeakPolarHBondContact CE-OE2 3.48Å; K55-E304 IonicContact NZ-OE2 3.69Å
56	E	92.4	Very high	83.3	Confident	75 Å²	75	82 Å²	82	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-38.9	174.4	-69.8	164.1	-177.9	0	0	110.7	R50 P52 N53 G60	R50-E56 IonicContact NH2-OE1 2.96Å; R50-E56 PolarHBondContact NH2-OE1 3.21Å; R50-E56 IonicContact NH2-OE2 3.86Å; P52-E56 WeakPolarHBondContact CA-OE2 3.01Å; P52-E56 HydrophobicContact CB-CB 3.92Å; P52-E56 WeakPolarHBondContact CB-OE2 3.35Å; N53-E56 PolarHBondContact N-OE2 3.3Å; N53-E56 PolarHBondContact ND2-OE1 2.74Å; N53-E56 VanDerWaalsContact ND2-OE1 3.08Å; N53-E56 WeakPolarHBondContact O-CB 2.98Å; N53-E56 PolarHBondContact O-N 2.95Å; N53-E56 VanDerWaalsContact O-N 3.11Å; N53-E56 WeakPolarHBondContact OD1-CG 3.14Å; N53-E56 PolarHBondContact OD1-N 2.67Å; E56-G60 PolarHBondContact O-N 2.72Å
57	I	93.2	Very high	84.5	Confident	12 Å²	12	80.8 Å²	80.8	6%	0.062	43%	0.433	C	S	.	.	H	α-helix	trans	-65.2	-51	175.2	-62.5	-67	0	0	0	111.6	P52 N53 E54 K55 Q59 G60 V61 W296 F298 F328 L329	P52-I57 HydrophobicContact CB-CD1 3.77Å; P52-I57 HydrophobicContact CB-CG1 4.12Å; P52-I57 HydrophobicContact CG-CD1 4.04Å; N53-I57 WeakPolarHBondContact O-CG1 3.2Å; N53-I57 PolarHBondContact O-N 2.67Å; E54-I57 PolarHBondContact O-N 3.27Å; K55-I57 VanDerWaalsContact C-N 3.26Å; K55-I57 PolarHBondContact O-N 2.91Å; I57-Q59 VanDerWaalsContact C-N 3.32Å; I57-Q59 PolarHBondContact O-N 2.87Å; I57-G60 PolarHBondContact O-N 3.21Å; I57-G60 VanDerWaalsContact O-N 3.16Å; I57-V61 HydrophobicContact CG2-CG2 4.46Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 3.36Å; I57-W296 HydrophobicContact CG2-CH2 3.98Å; I57-W296 HydrophobicContact CG2-CZ3 4.05Å; I57-F298 HydrophobicContact CB-CE2 4.36Å; I57-F298 HydrophobicContact CB-CZ 4.28Å; I57-F298 HydrophobicContact CD1-CZ 4.34Å; I57-F298 HydrophobicContact CG1-CE1 4.18Å; I57-F298 HydrophobicContact CG1-CE2 4.43Å; I57-F298 HydrophobicContact CG1-CZ 3.86Å; I57-F298 HydrophobicContact CG2-CD2 4.17Å; I57-F298 HydrophobicContact CG2-CE2 3.55Å; I57-F298 HydrophobicContact CG2-CZ 3.85Å; I57-F328 HydrophobicContact CG2-CD1 4.26Å; I57-F328 HydrophobicContact CG2-CE1 3.58Å; I57-F328 HydrophobicContact CG2-CZ 4.21Å; I57-L329 HydrophobicContact CD1-CD2 3.55Å; I57-L329 HydrophobicContact CD1-CG 4.41Å
58	V	92.1	Very high	86.1	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.006	41%	0.414	C	S	.	.	H	α-helix	trans	-57.1	-47.9	179.2	168.9	0	0	0	0	110.3	E54 K55 G60 V61 L62 W296 V300	E54-V58 WeakPolarHBondContact O-CG2 3.46Å; E54-V58 PolarHBondContact O-N 3.18Å; K55-V58 PolarHBondContact O-N 3.01Å; V58-G60 VanDerWaalsContact C-N 3.34Å; V58-G60 PolarHBondContact O-N 3.43Å; V58-V61 PolarHBondContact O-N 3.08Å; V58-L62 HydrophobicContact CG1-CD1 3.82Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3Å; V58-W296 HydrophobicContact CG2-CH2 3.72Å; V58-W296 HydrophobicContact CG2-CZ2 3.75Å; V58-V300 HydrophobicContact CG2-CG2 4.23Å
59	Q	91.8	Very high	87.6	Confident	104 Å²	104	85.1 Å²	85.1	49%	0.486	43%	0.426	S	S	.	.	H	α-helix	trans	-59.4	-44.1	176.6	-73.1	179.2	-5.3	0	0	112.1	K55 I57 V61 L62 Q63	K55-Q59 WeakPolarHBondContact O-CB 3.45Å; K55-Q59 VanDerWaalsContact O-CG 3.32Å; K55-Q59 WeakPolarHBondContact O-CG 3.2Å; K55-Q59 PolarHBondContact O-N 3.36Å; I57-Q59 VanDerWaalsContact C-N 3.32Å; I57-Q59 PolarHBondContact O-N 2.87Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 2.89Å; Q59-L62 PolarHBondContact O-N 2.82Å; Q59-Q63 WeakPolarHBondContact O-CB 3.49Å; Q59-Q63 VanDerWaalsContact O-CG 3.22Å; Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 2.75Å
60	G	90.6	Very high	88.7	Confident	29 Å²	29	83.3 Å²	83.3	30%	0.299	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-33	177.7	0	0	0	0	0	113.6	E56 I57 V58	E56-G60 PolarHBondContact O-N 2.72Å; I57-G60 PolarHBondContact O-N 3.21Å; I57-G60 VanDerWaalsContact O-N 3.16Å; V58-G60 VanDerWaalsContact C-N 3.34Å; V58-G60 PolarHBondContact O-N 3.43Å
61	V	91.4	Very high	89.4	Confident	13 Å²	13	78.4 Å²	78.4	8%	0.079	41%	0.405	C	S	.	.	H	α-helix	trans	-70.9	-48.4	173.5	172.2	0	0	0	0	110.8	I57 V58 Q59 Q63 Q64 W296 M302 F328 W332 L344	I57-V61 HydrophobicContact CG2-CG2 4.46Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 3.36Å; V58-V61 PolarHBondContact O-N 3.08Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 2.89Å; V61-Q63 VanDerWaalsContact C-N 3.29Å; V61-Q63 PolarHBondContact O-N 2.87Å; V61-Q64 WeakPolarHBondContact O-CB 3.34Å; V61-Q64 PolarHBondContact O-N 3.43Å; V61-Q64 VanDerWaalsContact O-N 3.16Å; V61-W296 HydrophobicContact CG2-CZ3 4.22Å; V61-M302 HydrophobicContact CB-CE 4.4Å; V61-M302 HydrophobicContact CB-SD 4.2Å; V61-M302 HydrophobicContact CG1-CE 3.8Å; V61-M302 HydrophobicContact CG1-SD 3.78Å; V61-F328 HydrophobicContact CG2-CZ 4.09Å; V61-W332 HydrophobicContact CB-CH2 4.29Å; V61-W332 HydrophobicContact CB-CZ2 4.16Å; V61-W332 HydrophobicContact CG1-CH2 3.86Å; V61-W332 HydrophobicContact CG1-CZ2 4.23Å; V61-W332 HydrophobicContact CG1-CZ3 4.41Å; V61-W332 HydrophobicContact CG2-CD2 4.34Å; V61-W332 HydrophobicContact CG2-CH2 4.11Å; V61-W332 HydrophobicContact CG2-CZ2 3.89Å; V61-W332 HydrophobicContact CG2-CZ3 4.41Å; V61-L344 HydrophobicContact CG1-CD1 3.73Å; V61-L344 HydrophobicContact CG2-CD1 4.19Å
62	L	90.4	Very high	89.9	Confident	97 Å²	97	80.4 Å²	80.4	51%	0.508	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-37.2	179.7	-69.5	173.8	0	0	0	112.4	V58 Q59 Q64 G65 M302	V58-L62 HydrophobicContact CG1-CD1 3.82Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3Å; Q59-L62 PolarHBondContact O-N 2.82Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 2.94Å; L62-G65 PolarHBondContact O-N 3.08Å; L62-M302 HydrophobicContact CD2-CB 4.32Å
63	Q	88.5	Confident	90.3	Very high	160 Å²	160	83.2 Å²	83.2	75%	0.748	43%	0.429	S	S	*	.	H	α-helix	trans	-65.5	-29	177.6	-77	173	8.5	0	0	113.8	Q59 V61 G65	Q59-Q63 WeakPolarHBondContact O-CB 3.49Å; Q59-Q63 VanDerWaalsContact O-CG 3.22Å; Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 2.75Å; V61-Q63 VanDerWaalsContact C-N 3.29Å; V61-Q63 PolarHBondContact O-N 2.87Å; Q63-G65 PolarHBondContact O-N 3.05Å
64	Q	85.4	Confident	90.5	Very high	84 Å²	84	80.8 Å²	80.8	39%	0.393	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-27.1	177.6	-177.6	66.2	25.9	0	0	111.9	V61 L62 W332	V61-Q64 WeakPolarHBondContact O-CB 3.34Å; V61-Q64 PolarHBondContact O-N 3.43Å; V61-Q64 VanDerWaalsContact O-N 3.16Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 2.94Å; Q64-W332 HydrophobicContact CB-CH2 4.25Å; Q64-W332 HydrophobicContact CB-CZ2 3.72Å; Q64-W332 HydrophobicContact CG-CH2 4.21Å; Q64-W332 HydrophobicContact CG-CZ2 3.9Å
65	G	77.1	Confident	90.9	Very high	41 Å²	41	78.3 Å²	78.3	42%	0.423	41%	0.408	S	S	.	.			trans	71.5	179.8	-174.9	0	0	0	0	0	113.8	L62 Q63	L62-G65 PolarHBondContact O-N 3.08Å; Q63-G65 PolarHBondContact O-N 3.05Å
66	T	73	Confident	91.2	Very high	123 Å²	123	80.1 Å²	80.1	76%	0.755	41%	0.412	S	S	*	.	S	Bend	trans	-88.3	-11.3	-173.9	56.6	0	0	0	0	113.9	W68	T66-W68 PolarHBondContact O-N 2.02Å
67	A	81.1	Confident	91.5	Very high	88 Å²	88	79 Å²	79	73%	0.727	42%	0.415	S	S	*	.			trans	-78.3	80.4	-175.7	0	0	0	0	0	111.7
68	W	92.9	Very high	91.7	Very high	68 Å²	68	79 Å²	79	26%	0.258	41%	0.414	S	S	.	.			trans	-88.8	136.1	171.1	-177.5	82.6	0	0	0	111.8	T66 R70 H335 L340 R341	T66-W68 PolarHBondContact O-N 2.02Å; W68-R70 HydrophobicContact CH2-CB 3.6Å; W68-R70 HydrophobicContact CH2-CG 4.11Å; W68-R70 HydrophobicContact CZ2-CB 4.3Å; W68-R70 HydrophobicContact CZ3-CB 3.98Å; W68-H335 AromaticContact CD1-CE1 3.02Å; W68-H335 AromaticContact CD1-CG 3.95Å; W68-H335 AromaticContact CD1-ND1 3.23Å; W68-H335 AromaticContact CD1-NE2 3.54Å; W68-H335 AromaticContact CG-CE1 3.48Å; W68-H335 VanDerWaalsContact CG-CE1 3.48Å; W68-H335 AromaticContact CG-ND1 3.96Å; W68-H335 AromaticContact NE1-CE1 3.71Å; W68-H335 AromaticContact NE1-ND1 3.41Å; W68-H335 PolarHBondContact NE1-ND1 3.38Å; W68-H335 PolarHBondContact NE1-O 2.99Å; W68-L340 VanDerWaalsContact CZ2-C 3.44Å; W68-L340 VanDerWaalsContact CZ2-O 3.24Å; W68-L340 WeakPolarHBondContact CZ2-O 3.27Å; W68-L340 PolarHBondContact NE1-O 2.9Å; W68-R341 HydrophobicContact CD2-CB 4.05Å; W68-R341 HydrophobicContact CD2-CG 4.04Å; W68-R341 HydrophobicContact CE3-CB 4Å; W68-R341 HydrophobicContact CE3-CG 3.97Å; W68-R341 HydrophobicContact CH2-CB 3.79Å; W68-R341 HydrophobicContact CZ2-CB 3.86Å; W68-R341 HydrophobicContact CZ3-CB 3.87Å; W68-R341 HydrophobicContact CZ3-CG 4.28Å
69	R	94.2	Very high	91.9	Very high	221 Å²	221	81.1 Å²	81.1	83%	0.834	42%	0.422	S	S	*	.			trans	-128.6	138.2	172.5	-66.5	-173.4	179.9	-166.9	0.3	110.7	N71	R69-N71 PolarHBondContact O-N 3.37Å
70	R	95.6	Very high	92.2	Very high	92 Å²	92	81.1 Å²	81.1	35%	0.347	42%	0.421	S	S	.	.			trans	-68.5	129.4	175.8	-173.6	178.8	176.9	-164.4	6.3	110.3	W68 E288 E289	W68-R70 HydrophobicContact CH2-CB 3.6Å; W68-R70 HydrophobicContact CH2-CG 4.11Å; W68-R70 HydrophobicContact CZ2-CB 4.3Å; W68-R70 HydrophobicContact CZ3-CB 3.98Å; R70-E288 PolarHBondContact NH2-O 3.19Å; R70-E289 IonicContact CZ-OE1 2.67Å; R70-E289 IonicContact NH1-OE1 2.85Å; R70-E289 PolarHBondContact NH1-OE1 2.83Å; R70-E289 VanDerWaalsContact NH2-CG 3.3Å
71	N	97.6	Very high	92.6	Very high	71 Å²	71	83.1 Å²	83.1	38%	0.38	42%	0.422	S	S	.	.			trans	-103.1	101.6	168.6	-176.6	-21.7	0	0	0	108.4	R69 T73 A74 A75 I337 G338	R69-N71 PolarHBondContact O-N 3.37Å; N71-T73 VanDerWaalsContact C-N 3.26Å; N71-T73 PolarHBondContact O-N 3.18Å; N71-T73 PolarHBondContact OD1-N 2.91Å; N71-T73 VanDerWaalsContact OD1-N 3.17Å; N71-A74 HydrophobicContact CB-CB 3.92Å; N71-A74 PolarHBondContact O-N 3.1Å; N71-A74 PolarHBondContact OD1-N 3.1Å; N71-A74 VanDerWaalsContact OD1-N 3.1Å; N71-A75 WeakPolarHBondContact O-CB 3.09Å; N71-A75 PolarHBondContact O-N 3.23Å; N71-I337 WeakPolarHBondContact CB-O 3.3Å; N71-I337 PolarHBondContact ND2-O 2.74Å; N71-G338 PolarHBondContact N-O 3.44Å
72	Q	96.9	Very high	92.9	Very high	108 Å²	108	82.5 Å²	82.5	51%	0.505	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-36.4	-176.5	-64.3	-175.9	9.8	0	0	112.3	A75 R76	Q72-A75 PolarHBondContact O-N 2.82Å; Q72-R76 WeakPolarHBondContact O-CB 3.48Å; Q72-R76 VanDerWaalsContact O-CG 3.31Å; Q72-R76 WeakPolarHBondContact O-CG 3.37Å; Q72-R76 PolarHBondContact O-N 3.19Å
73	T	97.9	Very high	93.2	Very high	109 Å²	109	81.8 Å²	81.8	67%	0.669	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-47.4	179	-53.8	0	0	0	0	110.8	N71 A75 R76 A77	N71-T73 VanDerWaalsContact C-N 3.26Å; N71-T73 PolarHBondContact O-N 3.18Å; N71-T73 PolarHBondContact OD1-N 2.91Å; N71-T73 VanDerWaalsContact OD1-N 3.17Å; T73-A75 PolarHBondContact O-N 2.66Å; T73-R76 PolarHBondContact O-N 3.03Å; T73-A77 VanDerWaalsContact O-CB 3.3Å; T73-A77 WeakPolarHBondContact O-CB 3.05Å; T73-A77 PolarHBondContact O-N 2.65Å
74	A	97.8	Very high	93.7	Very high	17 Å²	17	79.3 Å²	79.3	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-62.7	-42.4	176.6	0	0	0	0	0	111.9	N71 A77 F78 I337 A339	N71-A74 HydrophobicContact CB-CB 3.92Å; N71-A74 PolarHBondContact O-N 3.1Å; N71-A74 PolarHBondContact OD1-N 3.1Å; N71-A74 VanDerWaalsContact OD1-N 3.1Å; A74-A77 PolarHBondContact O-N 2.97Å; A74-F78 WeakPolarHBondContact O-CB 3.39Å; A74-F78 PolarHBondContact O-N 2.81Å; A74-I337 HydrophobicContact CB-CD1 4.24Å; A74-I337 HydrophobicContact CB-CG1 4.25Å; A74-I337 WeakPolarHBondContact CB-O 3.43Å; A74-A339 HydrophobicContact CB-CB 4.42Å
75	A	97.8	Very high	94.2	Very high	8 Å²	8	77.5 Å²	77.5	7%	0.066	40%	0.4	C	S	.	.	H	α-helix	trans	-61.2	-46.6	176.8	0	0	0	0	0	112.1	N71 Q72 T73 F78 R79	N71-A75 WeakPolarHBondContact O-CB 3.09Å; N71-A75 PolarHBondContact O-N 3.23Å; Q72-A75 PolarHBondContact O-N 2.82Å; T73-A75 PolarHBondContact O-N 2.66Å; A75-F78 PolarHBondContact O-N 3Å; A75-R79 PolarHBondContact O-N 2.87Å
76	R	97.4	Very high	95.1	Very high	162 Å²	162	75.7 Å²	75.7	61%	0.611	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-43.1	176.5	-73.3	177.1	-174.4	170.7	3.7	112	Q72 T73 F78 R79 K80	Q72-R76 WeakPolarHBondContact O-CB 3.48Å; Q72-R76 VanDerWaalsContact O-CG 3.31Å; Q72-R76 WeakPolarHBondContact O-CG 3.37Å; Q72-R76 PolarHBondContact O-N 3.19Å; T73-R76 PolarHBondContact O-N 3.03Å; R76-F78 VanDerWaalsContact C-N 3.31Å; R76-F78 PolarHBondContact O-N 3.03Å; R76-R79 PolarHBondContact O-N 2.82Å; R76-K80 PolarHBondContact O-N 2.85Å
77	A	97.9	Very high	96.3	Very high	50 Å²	50	72.5 Å²	72.5	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-39.3	177.6	0	0	0	0	0	111.9	T73 A74 Q81	T73-A77 VanDerWaalsContact O-CB 3.3Å; T73-A77 WeakPolarHBondContact O-CB 3.05Å; T73-A77 PolarHBondContact O-N 2.65Å; A74-A77 PolarHBondContact O-N 2.97Å; A77-Q81 PolarHBondContact O-N 2.91Å
78	F	97.6	Very high	97	Very high	12 Å²	12	68.3 Å²	68.3	5%	0.053	33%	0.325	C	S	.	.	H	α-helix	trans	-72.8	-38	176.5	-157.8	-86.1	0	0	0	112.3	A74 A75 R76 K80 Q81 M82 F262 W263 L284 L334	A74-F78 WeakPolarHBondContact O-CB 3.39Å; A74-F78 PolarHBondContact O-N 2.81Å; A75-F78 PolarHBondContact O-N 3Å; R76-F78 VanDerWaalsContact C-N 3.31Å; R76-F78 PolarHBondContact O-N 3.03Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.12Å; F78-Q81 WeakPolarHBondContact O-CB 3.46Å; F78-Q81 PolarHBondContact O-N 2.65Å; F78-M82 HydrophobicContact CD1-CE 4.44Å; F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CE1-CE 3.66Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE1-SD 3.97Å; F78-M82 HydrophobicContact CZ-CE 3.96Å; F78-M82 PolarHBondContact O-N 2.97Å; F78-F262 HydrophobicContact CE2-CE1 4.46Å; F78-F262 HydrophobicContact CE2-CZ 4.11Å; F78-F262 AromaticContact CZ-CE1 3.84Å; F78-F262 HydrophobicContact CZ-CE1 3.84Å; F78-F262 AromaticContact CZ-CZ 3.8Å; F78-F262 HydrophobicContact CZ-CZ 3.8Å; F78-W263 HydrophobicContact CE1-CZ2 4.49Å; F78-W263 AromaticContact CZ-CH2 3.73Å; F78-W263 HydrophobicContact CZ-CH2 3.73Å; F78-W263 AromaticContact CZ-CZ2 3.99Å; F78-W263 HydrophobicContact CZ-CZ2 3.99Å; F78-L284 HydrophobicContact CD1-CB 4.18Å; F78-L284 HydrophobicContact CD1-CD1 3.79Å; F78-L284 HydrophobicContact CD1-CD2 4.32Å; F78-L284 HydrophobicContact CD1-CG 4.32Å; F78-L284 HydrophobicContact CE1-CB 4.4Å; F78-L284 HydrophobicContact CE1-CD1 3.52Å; F78-L284 HydrophobicContact CE1-CG 4.46Å; F78-L284 HydrophobicContact CZ-CD1 4.49Å; F78-L334 HydrophobicContact CD1-CD1 4.48Å; F78-L334 HydrophobicContact CD2-CD2 3.52Å; F78-L334 HydrophobicContact CE1-CD1 4.02Å; F78-L334 HydrophobicContact CE2-CD1 4.14Å; F78-L334 HydrophobicContact CE2-CD2 3.44Å; F78-L334 VanDerWaalsContact CE2-CD2 3.44Å; F78-L334 HydrophobicContact CE2-CG 4.39Å; F78-L334 HydrophobicContact CG-CD2 4.17Å; F78-L334 HydrophobicContact CZ-CD1 3.82Å; F78-L334 HydrophobicContact CZ-CD2 4.02Å
79	R	97.8	Very high	97.2	Very high	46 Å²	46	66.8 Å²	66.8	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-56.7	-46.2	171.5	-177.6	178	-58.4	129.3	19.8	111.2	A75 R76 Q81 M82 E83 C287 E288	A75-R79 PolarHBondContact O-N 2.87Å; R76-R79 PolarHBondContact O-N 2.82Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 2.88Å; R79-M82 WeakPolarHBondContact O-CA 3.47Å; R79-M82 WeakPolarHBondContact O-CB 3.37Å; R79-M82 PolarHBondContact O-N 3.26Å; R79-E83 HydrophobicContact CG-CG 4.47Å; R79-E83 WeakPolarHBondContact CG-OE1 3.11Å; R79-E83 WeakPolarHBondContact O-CG 3.35Å; R79-E83 PolarHBondContact O-N 3.43Å; R79-C287 VanDerWaalsContact CZ-O 3.25Å; R79-C287 PolarHBondContact NE-O 3.43Å; R79-C287 PolarHBondContact NH2-O 3.41Å; R79-E288 PolarHBondContact NH2-O 2.93Å
80	K	98.1	Very high	97.3	Very high	104 Å²	104	61.1 Å²	61.1	45%	0.452	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-40.4	177.5	-175.5	52.5	176.1	156.9	0	112.2	R76 F78 M82 E83 D84	R76-K80 PolarHBondContact O-N 2.85Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.12Å; K80-M82 VanDerWaalsContact C-N 3.31Å; K80-M82 PolarHBondContact O-N 2.89Å; K80-E83 WeakPolarHBondContact CD-OE2 3.39Å; K80-E83 WeakPolarHBondContact O-CB 3.45Å; K80-E83 PolarHBondContact O-N 3.4Å; K80-D84 WeakPolarHBondContact CE-OD1 3.37Å; K80-D84 WeakPolarHBondContact CE-OD2 3.45Å; K80-D84 IonicContact NZ-OD1 2.95Å; K80-D84 PolarHBondContact NZ-OD1 2.97Å; K80-D84 IonicContact NZ-OD2 2.73Å; K80-D84 WeakPolarHBondContact O-CB 3.21Å; K80-D84 PolarHBondContact O-N 2.83Å
81	Q	97.9	Very high	97.5	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-37.4	172.7	-73	176.7	68.3	0	0	113.1	A77 F78 R79 C85 F262	A77-Q81 PolarHBondContact O-N 2.91Å; F78-Q81 WeakPolarHBondContact O-CB 3.46Å; F78-Q81 PolarHBondContact O-N 2.65Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 2.88Å; Q81-C85 WeakPolarHBondContact O-CB 3.46Å; Q81-C85 PolarHBondContact O-N 2.93Å; Q81-C85 PolarHBondContact O-SG 3.09Å; Q81-F262 HydrophobicContact CB-CE2 4.14Å; Q81-F262 HydrophobicContact CB-CZ 4.48Å
82	M	97.9	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-41.8	175.8	-66.4	-63.5	93.6	0	0	111.8	F78 R79 K80 C86 D87 P88 I259 F262 L284	F78-M82 HydrophobicContact CD1-CE 4.44Å; F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CE1-CE 3.66Å; F78-M82 HydrophobicContact CE1-CG 3.98Å; F78-M82 HydrophobicContact CE1-SD 3.97Å; F78-M82 HydrophobicContact CZ-CE 3.96Å; F78-M82 PolarHBondContact O-N 2.97Å; R79-M82 WeakPolarHBondContact O-CA 3.47Å; R79-M82 WeakPolarHBondContact O-CB 3.37Å; R79-M82 PolarHBondContact O-N 3.26Å; K80-M82 VanDerWaalsContact C-N 3.31Å; K80-M82 PolarHBondContact O-N 2.89Å; M82-C86 WeakPolarHBondContact O-CB 3.12Å; M82-C86 PolarHBondContact O-N 3.19Å; M82-C86 VanDerWaalsContact O-N 3.13Å; M82-D87 PolarHBondContact O-N 3.04Å; M82-P88 HydrophobicContact CB-CG 4.44Å; M82-P88 VanDerWaalsContact O-CD 3.31Å; M82-P88 WeakPolarHBondContact O-CD 3.39Å; M82-I259 HydrophobicContact SD-CD1 4Å; M82-F262 HydrophobicContact CE-CD1 3.73Å; M82-F262 HydrophobicContact CE-CD2 3.84Å; M82-F262 HydrophobicContact CE-CE1 3.3Å; M82-F262 HydrophobicContact CE-CE2 3.39Å; M82-F262 HydrophobicContact CE-CG 3.99Å; M82-F262 HydrophobicContact CE-CZ 3.11Å; M82-L284 HydrophobicContact CG-CB 4.1Å
83	E	97.3	Very high	97.5	Very high	83 Å²	83	50 Å²	50	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-51	173.5	-68.1	166.7	-172.9	0	0	110.7	R79 K80 D87	R79-E83 HydrophobicContact CG-CG 4.47Å; R79-E83 WeakPolarHBondContact CG-OE1 3.11Å; R79-E83 WeakPolarHBondContact O-CG 3.35Å; R79-E83 PolarHBondContact O-N 3.43Å; K80-E83 WeakPolarHBondContact CD-OE2 3.39Å; K80-E83 WeakPolarHBondContact O-CB 3.45Å; K80-E83 PolarHBondContact O-N 3.4Å; E83-D87 WeakPolarHBondContact O-CA 3.4Å; E83-D87 PolarHBondContact O-N 3.35Å
84	D	97.7	Very high	97.5	Very high	107 Å²	107	44.9 Å²	44.9	57%	0.572	23%	0.229	S	C	*	.	H	α-helix	trans	-69.5	-37.6	-174.2	-68	-21.1	0	0	0	113.2	K80	K80-D84 WeakPolarHBondContact CE-OD1 3.37Å; K80-D84 WeakPolarHBondContact CE-OD2 3.45Å; K80-D84 IonicContact NZ-OD1 2.95Å; K80-D84 PolarHBondContact NZ-OD1 2.97Å; K80-D84 IonicContact NZ-OD2 2.73Å; K80-D84 WeakPolarHBondContact O-CB 3.21Å; K80-D84 PolarHBondContact O-N 2.83Å
85	C	96.1	Very high	97.5	Very high	46 Å²	46	44.2 Å²	44.2	31%	0.311	22%	0.223	S	C	.	.	H	α-helix	trans	-80.1	-34.2	-178.3	76.3	0	0	0	0	113.3	Q81 S258 F262	Q81-C85 WeakPolarHBondContact O-CB 3.46Å; Q81-C85 PolarHBondContact O-N 2.93Å; Q81-C85 PolarHBondContact O-SG 3.09Å; C85-S258 WeakPolarHBondContact O-CB 3.44Å; C85-F262 HydrophobicContact CB-CD2 3.85Å; C85-F262 VanDerWaalsContact SG-CD2 3.55Å
86	C	97.1	Very high	97.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-145.5	-12.9	-150.4	-51.8	0	0	0	0	114	M82 F255 S258 I259	M82-C86 WeakPolarHBondContact O-CB 3.12Å; M82-C86 PolarHBondContact O-N 3.19Å; M82-C86 VanDerWaalsContact O-N 3.13Å; C86-F255 HydrophobicContact CB-CD2 3.94Å; C86-F255 HydrophobicContact CB-CE2 3.81Å; C86-F255 VanDerWaalsContact O-CD2 3.27Å; C86-F255 WeakPolarHBondContact O-CD2 3.11Å; C86-S258 VanDerWaalsContact SG-C 3.58Å; C86-I259 HydrophobicContact CB-CD1 3.64Å; C86-I259 HydrophobicContact CB-CG1 4Å; C86-I259 WeakPolarHBondContact SG-CD1 3.11Å
87	D	97.4	Very high	97.5	Very high	56 Å²	56	44.2 Å²	44.2	30%	0.299	23%	0.229	S	C	.	.			trans	39.9	63	176.4	-172.3	8.7	0	0	0	114.2	M82 E83 A89 H90 L91	M82-D87 PolarHBondContact O-N 3.04Å; E83-D87 WeakPolarHBondContact O-CA 3.4Å; E83-D87 PolarHBondContact O-N 3.35Å; D87-A89 PolarHBondContact O-N 2.94Å; D87-H90 VanDerWaalsContact CG-ND1 3.28Å; D87-H90 PolarHBondContact O-N 3.43Å; D87-H90 IonicContact OD1-CE1 3.88Å; D87-H90 IonicContact OD1-CG 3.72Å; D87-H90 PolarHBondContact OD1-N 2.94Å; D87-H90 IonicContact OD1-ND1 3.82Å; D87-H90 PolarHBondContact OD1-ND1 3.39Å; D87-H90 WeakPolarHBondContact OD2-CB 3.43Å; D87-H90 IonicContact OD2-CG 3.44Å; D87-H90 IonicContact OD2-ND1 2.74Å; D87-H90 PolarHBondContact OD2-ND1 3.38Å; D87-L91 HydrophobicContact CB-CD1 4.27Å; D87-L91 HydrophobicContact CB-CG 4.42Å; D87-L91 WeakPolarHBondContact O-CB 3.15Å; D87-L91 PolarHBondContact O-N 3Å
88	P	97	Very high	97.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-26.7	-177.2	20.2	-28.1	0	0	0	112.8	M82 H90 F92 F255 L286	M82-P88 HydrophobicContact CB-CG 4.44Å; M82-P88 VanDerWaalsContact O-CD 3.31Å; M82-P88 WeakPolarHBondContact O-CD 3.39Å; P88-H90 VanDerWaalsContact C-N 3.3Å; P88-H90 PolarHBondContact O-N 3.1Å; P88-F92 WeakPolarHBondContact O-CB 3.4Å; P88-F92 PolarHBondContact O-N 3.18Å; P88-F255 HydrophobicContact CB-CE2 3.78Å; P88-F255 HydrophobicContact CB-CZ 3.84Å; P88-F255 HydrophobicContact CG-CE2 4.5Å; P88-L286 HydrophobicContact CB-CD2 4.09Å; P88-L286 HydrophobicContact CB-CG 4.15Å
89	A	96.4	Very high	97.5	Very high	35 Å²	35	42.2 Å²	42.2	29%	0.289	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-43.3	177.6	0	0	0	0	0	111.8	D87 T129 L133	D87-A89 PolarHBondContact O-N 2.94Å; A89-T129 WeakPolarHBondContact O-CB 3.42Å; A89-T129 PolarHBondContact O-OG1 3.13Å; A89-L133 HydrophobicContact CB-CD1 3.76Å
90	H	97.1	Very high	97.4	Very high	102 Å²	102	42.7 Å²	42.7	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-99.2	-28.1	-178.7	-56.8	90.8	0	0	0	113.9	D87 P88 N98	D87-H90 VanDerWaalsContact CG-ND1 3.28Å; D87-H90 PolarHBondContact O-N 3.43Å; D87-H90 IonicContact OD1-CE1 3.88Å; D87-H90 IonicContact OD1-CG 3.72Å; D87-H90 PolarHBondContact OD1-N 2.94Å; D87-H90 IonicContact OD1-ND1 3.82Å; D87-H90 PolarHBondContact OD1-ND1 3.39Å; D87-H90 WeakPolarHBondContact OD2-CB 3.43Å; D87-H90 IonicContact OD2-CG 3.44Å; D87-H90 IonicContact OD2-ND1 2.74Å; D87-H90 PolarHBondContact OD2-ND1 3.38Å; P88-H90 VanDerWaalsContact C-N 3.3Å; P88-H90 PolarHBondContact O-N 3.1Å; H90-N98 PolarHBondContact O-ND2 3.5Å
91	L	97.8	Very high	97.4	Very high	39 Å²	39	42.7 Å²	42.7	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-107.2	-1.7	-171.9	-59.9	178.8	0	0	0	113.6	D87 A93 N98 N252 F255	D87-L91 HydrophobicContact CB-CD1 4.27Å; D87-L91 HydrophobicContact CB-CG 4.42Å; D87-L91 WeakPolarHBondContact O-CB 3.15Å; D87-L91 PolarHBondContact O-N 3Å; L91-A93 PolarHBondContact O-N 2.89Å; L91-N98 HydrophobicContact CD2-CB 4.3Å; L91-N252 WeakPolarHBondContact O-CB 3.27Å; L91-F255 HydrophobicContact CB-CB 3.93Å; L91-F255 HydrophobicContact CB-CG 4.49Å; L91-F255 WeakPolarHBondContact O-CB 3.37Å
92	F	97.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-53.7	-53.3	177.4	175.5	-109	0	0	0	111.7	P88 T129 F131 L184 Y219 N252 F255 F278 A282 L286	P88-F92 WeakPolarHBondContact O-CB 3.4Å; P88-F92 PolarHBondContact O-N 3.18Å; F92-T129 HydrophobicContact CD1-CG2 4.43Å; F92-F131 AromaticContact CD1-CE2 3.64Å; F92-F131 HydrophobicContact CD1-CE2 3.64Å; F92-F131 HydrophobicContact CD1-CZ 4.29Å; F92-F131 AromaticContact CE1-CE2 3.5Å; F92-F131 HydrophobicContact CE1-CE2 3.5Å; F92-F131 VanDerWaalsContact CE1-CE2 3.5Å; F92-F131 AromaticContact CE1-CZ 3.78Å; F92-F131 HydrophobicContact CE1-CZ 3.78Å; F92-F131 HydrophobicContact CZ-CE2 4.42Å; F92-L184 HydrophobicContact CE1-CD1 3.72Å; F92-L184 HydrophobicContact CZ-CD1 3.58Å; F92-Y219 AromaticContact CD1-CE2 3.91Å; F92-Y219 HydrophobicContact CD1-CE2 3.91Å; F92-Y219 HydrophobicContact CD2-CE2 4.28Å; F92-Y219 AromaticContact CE1-CD2 3.67Å; F92-Y219 HydrophobicContact CE1-CD2 3.67Å; F92-Y219 AromaticContact CE1-CE2 3.39Å; F92-Y219 HydrophobicContact CE1-CE2 3.39Å; F92-Y219 HydrophobicContact CE2-CD2 4.44Å; F92-Y219 AromaticContact CE2-CE2 3.82Å; F92-Y219 HydrophobicContact CE2-CE2 3.82Å; F92-Y219 AromaticContact CE2-CZ 3.87Å; F92-Y219 HydrophobicContact CG-CE2 4.32Å; F92-Y219 AromaticContact CZ-CD2 3.61Å; F92-Y219 HydrophobicContact CZ-CD2 3.61Å; F92-Y219 AromaticContact CZ-CE2 3.35Å; F92-Y219 HydrophobicContact CZ-CE2 3.35Å; F92-Y219 HydrophobicContact CZ-CG 4.32Å; F92-Y219 AromaticContact CZ-CZ 3.86Å; F92-Y219 PolarHBondContact O-OH 3.08Å; F92-N252 PolarHBondContact O-N 2.66Å; F92-F255 HydrophobicContact CD2-CD1 4.39Å; F92-F255 AromaticContact CD2-CE1 3.87Å; F92-F255 HydrophobicContact CD2-CE1 3.87Å; F92-F278 HydrophobicContact CD2-CZ 4.47Å; F92-F278 HydrophobicContact CE2-CE1 4.28Å; F92-F278 HydrophobicContact CE2-CZ 4.26Å; F92-A282 HydrophobicContact CD2-CB 3.68Å; F92-A282 HydrophobicContact CE2-CB 3.59Å; F92-L286 HydrophobicContact CB-CD1 4.43Å; F92-L286 HydrophobicContact CD1-CD1 4.48Å; F92-L286 HydrophobicContact CD2-CD1 4.14Å; F92-L286 HydrophobicContact CG-CD1 4.11Å
93	A	98.1	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-112.2	159.3	177	0	0	0	0	0	112.3	L91 T95 N98 L249 F250	L91-A93 PolarHBondContact O-N 2.89Å; A93-T95 PolarHBondContact O-N 3.44Å; A93-N98 PolarHBondContact O-ND2 3.19Å; A93-L249 HydrophobicContact CB-CB 4.46Å; A93-F250 CarbonylContact C-O 3.32Å; A93-F250 WeakPolarHBondContact CA-O 3.33Å
94	M	98.1	Very high	97.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.253	C	S	.	.			trans	-64.3	128.4	162	-64	-69.6	-73.8	0	0	108.4	S99 M105 F115 I117 F125 P126 F223 F250 N252 P253	M94-S99 WeakPolarHBondContact CE-OG 3.43Å; M94-S99 PolarHBondContact SD-OG 3.4Å; M94-M105 HydrophobicContact SD-CE 4.4Å; M94-F115 HydrophobicContact CE-CE2 4.44Å; M94-F115 HydrophobicContact CE-CZ 4.38Å; M94-I117 HydrophobicContact CE-CD1 3.85Å; M94-F125 HydrophobicContact CB-CD1 3.86Å; M94-F125 HydrophobicContact CB-CD2 4.33Å; M94-F125 HydrophobicContact CB-CE1 3.72Å; M94-F125 HydrophobicContact CB-CE2 4.19Å; M94-F125 HydrophobicContact CB-CG 4.17Å; M94-F125 HydrophobicContact CB-CZ 3.87Å; M94-F125 HydrophobicContact CE-CE1 4.48Å; M94-F125 HydrophobicContact CE-CE2 3.71Å; M94-F125 HydrophobicContact CE-CZ 3.54Å; M94-F125 HydrophobicContact CG-CE1 4.31Å; M94-F125 HydrophobicContact CG-CZ 4.24Å; M94-P126 WeakPolarHBondContact O-CD 3.2Å; M94-F223 HydrophobicContact CE-CD2 4.19Å; M94-F223 HydrophobicContact CE-CE2 4.35Å; M94-F223 HydrophobicContact CG-CD2 3.91Å; M94-F223 HydrophobicContact CG-CE2 4.15Å; M94-F223 HydrophobicContact SD-CD2 4.38Å; M94-F250 HydrophobicContact CB-CB 4.24Å; M94-F250 HydrophobicContact CG-CB 4.07Å; M94-F250 PolarHBondContact N-O 2.84Å; M94-N252 HydrophobicContact SD-CB 4.14Å; M94-P253 VanDerWaalsContact SD-CD 3.53Å
95	T	98.1	Very high	97.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	23%	0.226	C	C	.	.			trans	-136	159.6	179.4	67.1	0	0	0	0	109.1	A93 M97 N98 S99 P126 Q127 A128	A93-T95 PolarHBondContact O-N 3.44Å; T95-M97 PolarHBondContact O-N 3.24Å; T95-N98 PolarHBondContact N-OD1 2.77Å; T95-N98 PolarHBondContact O-N 3.33Å; T95-N98 PolarHBondContact O-OD1 2.66Å; T95-N98 VanDerWaalsContact O-OD1 3.08Å; T95-N98 PolarHBondContact OG1-N 3.42Å; T95-N98 VanDerWaalsContact OG1-N 3.12Å; T95-N98 PolarHBondContact OG1-ND2 3.39Å; T95-N98 PolarHBondContact OG1-OD1 3.4Å; T95-S99 VanDerWaalsContact O-CB 3.31Å; T95-S99 WeakPolarHBondContact O-CB 3.41Å; T95-S99 PolarHBondContact O-N 2.88Å; T95-P126 CarbonylContact C-O 3.55Å; T95-P126 VanDerWaalsContact CA-O 3.3Å; T95-P126 WeakPolarHBondContact CA-O 3.21Å; T95-P126 HydrophobicContact CG2-CG 4.38Å; T95-Q127 WeakPolarHBondContact CB-O 3.37Å; T95-A128 VanDerWaalsContact CG2-C 3.43Å
96	K	97.9	Very high	97.1	Very high	48 Å²	48	43.3 Å²	43.3	21%	0.209	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.6	174.7	-69.1	-178.1	174.2	173	0	112	Y122 F125 P126	K96-Y122 HydrophobicContact CB-CE2 3.69Å; K96-Y122 HydrophobicContact CD-CE1 3.94Å; K96-Y122 HydrophobicContact CD-CE2 4.35Å; K96-Y122 VanDerWaalsContact CE-O 3.31Å; K96-Y122 WeakPolarHBondContact CE-O 3.49Å; K96-Y122 HydrophobicContact CG-CD2 4.21Å; K96-Y122 HydrophobicContact CG-CE1 4.12Å; K96-Y122 HydrophobicContact CG-CE2 3.65Å; K96-F125 VanDerWaalsContact CE-O 3.23Å; K96-F125 WeakPolarHBondContact CE-O 3.42Å; K96-F125 HydrophobicContact CG-CB 4.12Å; K96-P126 PolarHBondContact N-O 3.38Å
97	M	96.6	Very high	97.1	Very high	123 Å²	123	43.9 Å²	43.9	61%	0.606	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-42.5	177	-67.6	-176.8	-25.3	0	0	113.5	T95 Q127 A128	T95-M97 PolarHBondContact O-N 3.24Å; M97-Q127 VanDerWaalsContact CG-O 3.29Å; M97-Q127 WeakPolarHBondContact CG-O 3.31Å; M97-Q127 PolarHBondContact N-O 2.98Å; M97-A128 HydrophobicContact CE-CB 3.53Å; M97-A128 HydrophobicContact SD-CB 4.07Å
98	N	97.3	Very high	96.9	Very high	19 Å²	19	42 Å²	42	10%	0.102	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-12.9	-175.8	70.5	28.9	0	0	0	114	H90 L91 A93 T95 K103 N252	H90-N98 PolarHBondContact O-ND2 3.5Å; L91-N98 HydrophobicContact CD2-CB 4.3Å; A93-N98 PolarHBondContact O-ND2 3.19Å; T95-N98 PolarHBondContact N-OD1 2.77Å; T95-N98 PolarHBondContact O-N 3.33Å; T95-N98 PolarHBondContact O-OD1 2.66Å; T95-N98 VanDerWaalsContact O-OD1 3.08Å; T95-N98 PolarHBondContact OG1-N 3.42Å; T95-N98 VanDerWaalsContact OG1-N 3.12Å; T95-N98 PolarHBondContact OG1-ND2 3.39Å; T95-N98 PolarHBondContact OG1-OD1 3.4Å; N98-K103 PolarHBondContact O-NZ 3.48Å; N98-N252 PolarHBondContact OD1-ND2 2.95Å
99	S	97.5	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-134.6	64.6	-175.5	-56.7	0	0	0	0	111.4	M94 T95	M94-S99 WeakPolarHBondContact CE-OG 3.43Å; M94-S99 PolarHBondContact SD-OG 3.4Å; T95-S99 VanDerWaalsContact O-CB 3.31Å; T95-S99 WeakPolarHBondContact O-CB 3.41Å; T95-S99 PolarHBondContact O-N 2.88Å
100	P	97	Very high	96.2	Very high	57 Å²	57	43.5 Å²	43.5	37%	0.37	23%	0.233	S	C	.	.			trans	-63.4	154.3	178.7	26.8	-35.8	0	0	0	112.2	K103	P100-K103 HydrophobicContact CG-CB 4.24Å; P100-K103 HydrophobicContact CG-CD 4.07Å; P100-K103 WeakPolarHBondContact O-CB 3.44Å; P100-K103 PolarHBondContact O-N 3.29Å
101	M	97	Very high	95.3	Very high	103 Å²	103	44.9 Å²	44.9	51%	0.507	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.2	175.7	-166.7	-179.6	-60.6	0	0	111.4	K103 N119 Y122	M101-K103 PolarHBondContact O-N 2.94Å; M101-N119 HydrophobicContact CE-CB 4.08Å; M101-N119 WeakPolarHBondContact CE-OD1 3.37Å; M101-Y122 HydrophobicContact CE-CD1 3.99Å; M101-Y122 HydrophobicContact CE-CG 4.33Å
102	G	97.2	Very high	94.8	Very high	53 Å²	53	50.6 Å²	50.6	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-10	-177.5	0	0	0	0	0	114.8	S104 I117	G102-S104 PolarHBondContact O-N 3.3Å; G102-I117 PolarHBondContact N-O 3.32Å
103	K	96.6	Very high	94.6	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	29%	0.291	S	S	.	.			trans	-68.5	129.6	177	-173	172.1	-179.7	178.5	0	110.9	N98 P100 M101 M105 T116 I117	N98-K103 PolarHBondContact O-NZ 3.48Å; P100-K103 HydrophobicContact CG-CB 4.24Å; P100-K103 HydrophobicContact CG-CD 4.07Å; P100-K103 WeakPolarHBondContact O-CB 3.44Å; P100-K103 PolarHBondContact O-N 3.29Å; M101-K103 PolarHBondContact O-N 2.94Å; K103-M105 HydrophobicContact CD-SD 3.87Å; K103-M105 VanDerWaalsContact CE-SD 3.52Å; K103-M105 HydrophobicContact CG-CG 4.3Å; K103-M105 HydrophobicContact CG-SD 4.04Å; K103-T116 WeakPolarHBondContact O-CA 3.46Å; K103-I117 HydrophobicContact CB-CG1 4.42Å; K103-I117 PolarHBondContact O-N 3.17Å
104	S	96.4	Very high	94.4	Very high	60 Å²	60	59.1 Å²	59.1	42%	0.42	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.5	169.7	-168.2	0	0	0	0	110.2	G102 F115	G102-S104 PolarHBondContact O-N 3.3Å; S104-F115 WeakPolarHBondContact CA-O 3.43Å
105	M	94.9	Very high	94.3	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.7	-177.8	-66.5	-68.6	-73.7	0	0	109.3	M94 K103 S114 F115 I117 P253	M94-M105 HydrophobicContact SD-CE 4.4Å; K103-M105 HydrophobicContact CD-SD 3.87Å; K103-M105 VanDerWaalsContact CE-SD 3.52Å; K103-M105 HydrophobicContact CG-CG 4.3Å; K103-M105 HydrophobicContact CG-SD 4.04Å; M105-S114 CarbonylContact O-C 3.58Å; M105-S114 WeakPolarHBondContact O-CA 3.44Å; M105-S114 VanDerWaalsContact O-CB 3.23Å; M105-S114 WeakPolarHBondContact O-CB 3.22Å; M105-F115 HydrophobicContact CB-CD1 4.15Å; M105-F115 HydrophobicContact CB-CD2 4.49Å; M105-F115 HydrophobicContact CB-CE1 3.56Å; M105-F115 HydrophobicContact CB-CE2 3.98Å; M105-F115 HydrophobicContact CB-CZ 3.45Å; M105-F115 VanDerWaalsContact CB-CZ 3.45Å; M105-F115 HydrophobicContact CG-CZ 4.27Å; M105-F115 PolarHBondContact N-O 2.94Å; M105-F115 VanDerWaalsContact O-CD1 3.27Å; M105-F115 WeakPolarHBondContact O-CD1 2.92Å; M105-F115 PolarHBondContact O-N 3.03Å; M105-I117 HydrophobicContact CG-CD1 4.23Å; M105-I117 HydrophobicContact CG-CG1 4.27Å; M105-P253 HydrophobicContact CE-CG 3.98Å
106	W	96.1	Very high	94.2	Very high	122 Å²	122	64.1 Å²	64.1	46%	0.462	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.6	-177.8	-64.7	84	0	0	0	110.1	D108 F111 P253 R257	W106-D108 PolarHBondContact O-N 3.43Å; W106-F111 VanDerWaalsContact CE3-O 3.32Å; W106-F111 WeakPolarHBondContact CZ3-O 3.31Å; W106-P253 WeakPolarHBondContact O-CB 3.32Å; W106-R257 VanDerWaalsContact CB-NH2 3.25Å; W106-R257 PolarHBondContact O-NH2 3.23Å
107	Y	96.3	Very high	94.2	Very high	15 Å²	15	61.9 Å²	61.9	6%	0.059	33%	0.328	C	S	.	.			trans	-61.2	137.7	169.4	-67.2	-86.5	0	0	0	109.5	Y113 F115 F223 K226 T229 R257	Y107-Y113 WeakPolarHBondContact CD2-O 3.38Å; Y107-Y113 PolarHBondContact N-O 3.4Å; Y107-Y113 VanDerWaalsContact N-O 3.16Å; Y107-F115 HydrophobicContact CD2-CD1 4.05Å; Y107-F115 HydrophobicContact CE1-CD1 4.18Å; Y107-F115 HydrophobicContact CE1-CE1 4.45Å; Y107-F115 HydrophobicContact CE2-CB 4.13Å; Y107-F115 AromaticContact CE2-CD1 3.61Å; Y107-F115 HydrophobicContact CE2-CD1 3.61Å; Y107-F115 HydrophobicContact CE2-CE1 4.5Å; Y107-F115 HydrophobicContact CE2-CG 4.26Å; Y107-F115 AromaticContact CZ-CD1 3.68Å; Y107-F223 VanDerWaalsContact CD1-C 3.44Å; Y107-F223 WeakPolarHBondContact CD1-O 3.32Å; Y107-K226 HydrophobicContact CE1-CB 4.39Å; Y107-K226 HydrophobicContact CE2-CB 4.28Å; Y107-T229 PolarHBondContact OH-OG1 3.05Å; Y107-R257 PolarHBondContact O-NH2 3.29Å
108	D	94.3	Very high	94.2	Very high	16 Å²	16	59.4 Å²	59.4	9%	0.086	32%	0.318	C	S	.	.	S	Bend	trans	-78.6	-27.8	-178.8	87.1	-76	0	0	0	112.8	W106 F111 S224 P253 L256 R257 R272	W106-D108 PolarHBondContact O-N 3.43Å; D108-F111 WeakPolarHBondContact O-CE1 3.49Å; D108-F111 VanDerWaalsContact O-CZ 3.22Å; D108-F111 WeakPolarHBondContact O-CZ 3.49Å; D108-S224 PolarHBondContact N-O 2.94Å; D108-S224 WeakPolarHBondContact OD1-CA 3.27Å; D108-S224 WeakPolarHBondContact OD1-CB 3.08Å; D108-S224 PolarHBondContact OD1-OG 3.4Å; D108-P253 HydrophobicContact CB-CB 4.29Å; D108-P253 WeakPolarHBondContact CB-O 3.14Å; D108-L256 HydrophobicContact CB-CB 4.13Å; D108-R257 HydrophobicContact CB-CB 4.13Å; D108-R272 VanDerWaalsContact CG-NH2 3.34Å; D108-R272 IonicContact OD1-CZ 3.49Å; D108-R272 IonicContact OD1-NH1 3.84Å; D108-R272 IonicContact OD1-NH2 3.99Å; D108-R272 PolarHBondContact OD1-NH2 3.42Å; D108-R272 IonicContact OD2-CZ 3.14Å; D108-R272 IonicContact OD2-NH1 3.93Å; D108-R272 IonicContact OD2-NH2 3.89Å; D108-R272 PolarHBondContact OD2-NH2 3.28Å
109	G	89.2	Confident	94.1	Very high	25 Å²	25	63.8 Å²	63.8	26%	0.258	34%	0.341	S	S	.	.	S	Bend	trans	-92.6	-9.8	179.1	0	0	0	0	0	115.5	S224	G109-S224 WeakPolarHBondContact CA-O 3.33Å; G109-S224 PolarHBondContact N-O 2.98Å
110	E	89.1	Confident	94	Very high	43 Å²	43	66.5 Å²	66.5	20%	0.201	36%	0.36	C	S	.	.			trans	-140	77	-174.4	-65.4	-177.9	163.5	0	0	109.6	L112 Y113 M225 K226	E110-L112 PolarHBondContact O-N 3.35Å; E110-Y113 HydrophobicContact CB-CD2 3.91Å; E110-Y113 PolarHBondContact O-N 2.93Å; E110-M225 HydrophobicContact CG-CB 4.13Å; E110-M225 HydrophobicContact CG-CE 3.71Å; E110-M225 HydrophobicContact CG-CG 4.2Å; E110-K226 WeakPolarHBondContact OE2-CB 3.47Å; E110-K226 PolarHBondContact OE2-N 3.41Å
111	F	77.4	Confident	93.8	Very high	132 Å²	132	64.6 Å²	64.6	58%	0.579	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.9	-166	-59	-70.1	0	0	0	116.4	W106 D108	W106-F111 VanDerWaalsContact CE3-O 3.32Å; W106-F111 WeakPolarHBondContact CZ3-O 3.31Å; D108-F111 WeakPolarHBondContact O-CE1 3.49Å; D108-F111 VanDerWaalsContact O-CZ 3.22Å; D108-F111 WeakPolarHBondContact O-CZ 3.49Å
112	L	88.4	Confident	93.8	Very high	159 Å²	159	62.6 Å²	62.6	83%	0.832	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.2	178	-61	178.9	0	0	0	113.2	E110	E110-L112 PolarHBondContact O-N 3.35Å
113	Y	93	Very high	93.8	Very high	122 Å²	122	63.2 Å²	63.2	48%	0.478	33%	0.331	S	S	.	.			trans	-113.2	137.4	-179.4	-64.3	-86.7	0	0	0	110.3	Y107 E110 K226	Y107-Y113 WeakPolarHBondContact CD2-O 3.38Å; Y107-Y113 PolarHBondContact N-O 3.4Å; Y107-Y113 VanDerWaalsContact N-O 3.16Å; E110-Y113 HydrophobicContact CB-CD2 3.91Å; E110-Y113 PolarHBondContact O-N 2.93Å; Y113-K226 HydrophobicContact CD1-CD 4.24Å
114	S	94.4	Very high	93.9	Very high	57 Å²	57	59.9 Å²	59.9	40%	0.399	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	168.1	171.9	64.1	0	0	0	0	110.3	M105	M105-S114 CarbonylContact O-C 3.58Å; M105-S114 WeakPolarHBondContact O-CA 3.44Å; M105-S114 VanDerWaalsContact O-CB 3.23Å; M105-S114 WeakPolarHBondContact O-CB 3.22Å
115	F	94.9	Very high	93.9	Very high	25 Å²	25	57.4 Å²	57.4	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.5	172.6	64.2	-77.3	0	0	0	108.5	M94 S104 M105 Y107 I117 F223 P253	M94-F115 HydrophobicContact CE-CE2 4.44Å; M94-F115 HydrophobicContact CE-CZ 4.38Å; S104-F115 WeakPolarHBondContact CA-O 3.43Å; M105-F115 HydrophobicContact CB-CD1 4.15Å; M105-F115 HydrophobicContact CB-CD2 4.49Å; M105-F115 HydrophobicContact CB-CE1 3.56Å; M105-F115 HydrophobicContact CB-CE2 3.98Å; M105-F115 HydrophobicContact CB-CZ 3.45Å; M105-F115 VanDerWaalsContact CB-CZ 3.45Å; M105-F115 HydrophobicContact CG-CZ 4.27Å; M105-F115 PolarHBondContact N-O 2.94Å; M105-F115 VanDerWaalsContact O-CD1 3.27Å; M105-F115 WeakPolarHBondContact O-CD1 2.92Å; M105-F115 PolarHBondContact O-N 3.03Å; Y107-F115 HydrophobicContact CD2-CD1 4.05Å; Y107-F115 HydrophobicContact CE1-CD1 4.18Å; Y107-F115 HydrophobicContact CE1-CE1 4.45Å; Y107-F115 HydrophobicContact CE2-CB 4.13Å; Y107-F115 AromaticContact CE2-CD1 3.61Å; Y107-F115 HydrophobicContact CE2-CD1 3.61Å; Y107-F115 HydrophobicContact CE2-CE1 4.5Å; Y107-F115 HydrophobicContact CE2-CG 4.26Å; Y107-F115 AromaticContact CZ-CD1 3.68Å; F115-I117 HydrophobicContact CD2-CD1 3.98Å; F115-I117 HydrophobicContact CE2-CD1 3.44Å; F115-I117 VanDerWaalsContact CE2-CD1 3.44Å; F115-I117 HydrophobicContact CZ-CD1 4.39Å; F115-F223 HydrophobicContact CD1-CD1 4.35Å; F115-F223 AromaticContact CD2-CD1 3.91Å; F115-F223 HydrophobicContact CD2-CD1 3.91Å; F115-F223 HydrophobicContact CD2-CE1 4.1Å; F115-F223 HydrophobicContact CE1-CB 3.68Å; F115-F223 AromaticContact CE1-CD1 3.88Å; F115-F223 HydrophobicContact CE1-CD1 3.88Å; F115-F223 HydrophobicContact CE1-CG 4.01Å; F115-F223 HydrophobicContact CE2-CB 4.34Å; F115-F223 AromaticContact CE2-CD1 3.34Å; F115-F223 HydrophobicContact CE2-CD1 3.34Å; F115-F223 HydrophobicContact CE2-CD2 4.43Å; F115-F223 AromaticContact CE2-CE1 3.68Å; F115-F223 HydrophobicContact CE2-CE1 3.68Å; F115-F223 AromaticContact CE2-CG 3.77Å; F115-F223 HydrophobicContact CE2-CG 3.77Å; F115-F223 HydrophobicContact CE2-CZ 4.36Å; F115-F223 HydrophobicContact CG-CD1 4.38Å; F115-F223 HydrophobicContact CZ-CB 3.46Å; F115-F223 VanDerWaalsContact CZ-CB 3.46Å; F115-F223 AromaticContact CZ-CD1 3.35Å; F115-F223 HydrophobicContact CZ-CD1 3.35Å; F115-F223 HydrophobicContact CZ-CD2 4.19Å; F115-F223 HydrophobicContact CZ-CE1 4.15Å; F115-F223 AromaticContact CZ-CG 3.37Å; F115-F223 HydrophobicContact CZ-CG 3.37Å; F115-P253 HydrophobicContact CE1-CG 4.49Å; F115-P253 HydrophobicContact CZ-CG 4.46Å
116	T	96.9	Very high	94	Very high	82 Å²	82	59 Å²	59	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.2	175.9	-57.3	0	0	0	0	108.6	K103 D118	K103-T116 WeakPolarHBondContact O-CA 3.46Å; T116-D118 PolarHBondContact O-N 3.18Å; T116-D118 VanDerWaalsContact O-N 3.1Å
117	I	97.4	Very high	94	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.315	C	S	.	.			trans	-68.3	108.3	174.1	-54.7	-53.8	0	0	0	108.8	M94 G102 K103 M105 F115 T121 Y122 F125	M94-I117 HydrophobicContact CE-CD1 3.85Å; G102-I117 PolarHBondContact N-O 3.32Å; K103-I117 HydrophobicContact CB-CG1 4.42Å; K103-I117 PolarHBondContact O-N 3.17Å; M105-I117 HydrophobicContact CG-CD1 4.23Å; M105-I117 HydrophobicContact CG-CG1 4.27Å; F115-I117 HydrophobicContact CD2-CD1 3.98Å; F115-I117 HydrophobicContact CE2-CD1 3.44Å; F115-I117 VanDerWaalsContact CE2-CD1 3.44Å; F115-I117 HydrophobicContact CZ-CD1 4.39Å; I117-T121 HydrophobicContact CD1-CG2 4.38Å; I117-Y122 HydrophobicContact CG2-CD2 4.18Å; I117-F125 HydrophobicContact CD1-CE2 4.09Å; I117-F125 HydrophobicContact CD1-CZ 4.35Å; I117-F125 HydrophobicContact CG2-CE2 4.25Å
118	D	96.4	Very high	94	Very high	71 Å²	71	60.2 Å²	60.2	38%	0.38	33%	0.327	S	S	.	.			trans	-95.5	177.2	174.8	73.2	-23.3	0	0	0	111.2	T116 S120 T121 Y122	T116-D118 PolarHBondContact O-N 3.18Å; T116-D118 VanDerWaalsContact O-N 3.1Å; D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 2.95Å; D118-S120 PolarHBondContact OD1-OG 3.13Å; D118-S120 PolarHBondContact OD2-OG 2.74Å; D118-T121 PolarHBondContact O-N 3.31Å; D118-T121 WeakPolarHBondContact OD1-CB 3.27Å; D118-T121 PolarHBondContact OD1-N 3.31Å; D118-T121 PolarHBondContact OD1-OG1 3.13Å; D118-Y122 WeakPolarHBondContact O-CB 3.41Å; D118-Y122 PolarHBondContact O-N 3.43Å
119	N	96.8	Very high	94.1	Very high	112 Å²	112	60.4 Å²	60.4	60%	0.599	33%	0.329	S	S	*	.	H	α-helix	trans	-61.9	-38.1	179.6	-172.5	47.5	0	0	0	112.2	M101 S123	M101-N119 HydrophobicContact CE-CB 4.08Å; M101-N119 WeakPolarHBondContact CE-OD1 3.37Å; N119-S123 WeakPolarHBondContact O-CB 3.31Å; N119-S123 PolarHBondContact O-N 3.16Å; N119-S123 VanDerWaalsContact O-N 3.12Å
120	S	94.1	Very high	94.3	Very high	57 Å²	57	61.5 Å²	61.5	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-50.1	-179.7	78	0	0	0	0	111.1	D118 S123 L124	D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 2.95Å; D118-S120 PolarHBondContact OD1-OG 3.13Å; D118-S120 PolarHBondContact OD2-OG 2.74Å; S120-S123 PolarHBondContact O-OG 3.28Å; S120-L124 WeakPolarHBondContact O-CG 3.09Å
121	T	94.1	Very high	94.6	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.104	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-43.6	179.3	-55.6	0	0	0	0	112	I117 D118 S123 L124 F125 F223	I117-T121 HydrophobicContact CD1-CG2 4.38Å; D118-T121 PolarHBondContact O-N 3.31Å; D118-T121 WeakPolarHBondContact OD1-CB 3.27Å; D118-T121 PolarHBondContact OD1-N 3.31Å; D118-T121 PolarHBondContact OD1-OG1 3.13Å; T121-S123 VanDerWaalsContact C-N 3.26Å; T121-S123 PolarHBondContact O-N 2.94Å; T121-L124 WeakPolarHBondContact O-CB 3.13Å; T121-L124 PolarHBondContact O-N 2.81Å; T121-L124 VanDerWaalsContact O-N 3.14Å; T121-F125 HydrophobicContact CG2-CE1 3.95Å; T121-F125 HydrophobicContact CG2-CE2 4.01Å; T121-F125 HydrophobicContact CG2-CZ 3.36Å; T121-F223 HydrophobicContact CG2-CE1 4.2Å; T121-F223 HydrophobicContact CG2-CZ 3.66Å
122	Y	97	Very high	95.3	Very high	60 Å²	60	63 Å²	63	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-36	-179.6	-177.8	-103.6	0	0	0	112.7	K96 M101 I117 D118 L124 F125	K96-Y122 HydrophobicContact CB-CE2 3.69Å; K96-Y122 HydrophobicContact CD-CE1 3.94Å; K96-Y122 HydrophobicContact CD-CE2 4.35Å; K96-Y122 VanDerWaalsContact CE-O 3.31Å; K96-Y122 WeakPolarHBondContact CE-O 3.49Å; K96-Y122 HydrophobicContact CG-CD2 4.21Å; K96-Y122 HydrophobicContact CG-CE1 4.12Å; K96-Y122 HydrophobicContact CG-CE2 3.65Å; M101-Y122 HydrophobicContact CE-CD1 3.99Å; M101-Y122 HydrophobicContact CE-CG 4.33Å; I117-Y122 HydrophobicContact CG2-CD2 4.18Å; D118-Y122 WeakPolarHBondContact O-CB 3.41Å; D118-Y122 PolarHBondContact O-N 3.43Å; Y122-L124 PolarHBondContact O-N 2.93Å; Y122-F125 PolarHBondContact O-N 2.82Å
123	S	97.1	Very high	95.6	Very high	66 Å²	66	58.6 Å²	58.6	46%	0.462	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-25.4	179.3	76.3	0	0	0	0	113.6	N119 S120 T121 F125	N119-S123 WeakPolarHBondContact O-CB 3.31Å; N119-S123 PolarHBondContact O-N 3.16Å; N119-S123 VanDerWaalsContact O-N 3.12Å; S120-S123 PolarHBondContact O-OG 3.28Å; T121-S123 VanDerWaalsContact C-N 3.26Å; T121-S123 PolarHBondContact O-N 2.94Å; S123-F125 VanDerWaalsContact C-N 3.33Å
124	L	97	Very high	95.7	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.063	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.3	-176.9	-47	177.3	0	0	0	113	S120 T121 Y122 L233 Y236 F250	S120-L124 WeakPolarHBondContact O-CG 3.09Å; T121-L124 WeakPolarHBondContact O-CB 3.13Å; T121-L124 PolarHBondContact O-N 2.81Å; T121-L124 VanDerWaalsContact O-N 3.14Å; Y122-L124 PolarHBondContact O-N 2.93Å; L124-L233 HydrophobicContact CD1-CD2 3.43Å; L124-L233 VanDerWaalsContact CD1-CD2 3.43Å; L124-Y236 HydrophobicContact CB-CE2 4.11Å; L124-Y236 HydrophobicContact CD2-CD1 3.92Å; L124-Y236 HydrophobicContact CD2-CE1 3.48Å; L124-Y236 VanDerWaalsContact CD2-CE1 3.48Å; L124-Y236 HydrophobicContact CD2-CE2 4.17Å; L124-Y236 HydrophobicContact CD2-CG 4.48Å; L124-F250 HydrophobicContact CB-CE2 4.01Å; L124-F250 HydrophobicContact CD1-CE2 4.09Å
125	F	97.7	Very high	95.9	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.031	30%	0.303	C	S	.	.	S	Bend	trans	-88.1	140.2	-173.2	-58.6	-22.7	0	0	0	111.8	M94 K96 I117 T121 Y122 S123 F223 F250	M94-F125 HydrophobicContact CB-CD1 3.86Å; M94-F125 HydrophobicContact CB-CD2 4.33Å; M94-F125 HydrophobicContact CB-CE1 3.72Å; M94-F125 HydrophobicContact CB-CE2 4.19Å; M94-F125 HydrophobicContact CB-CG 4.17Å; M94-F125 HydrophobicContact CB-CZ 3.87Å; M94-F125 HydrophobicContact CE-CE1 4.48Å; M94-F125 HydrophobicContact CE-CE2 3.71Å; M94-F125 HydrophobicContact CE-CZ 3.54Å; M94-F125 HydrophobicContact CG-CE1 4.31Å; M94-F125 HydrophobicContact CG-CZ 4.24Å; K96-F125 VanDerWaalsContact CE-O 3.23Å; K96-F125 WeakPolarHBondContact CE-O 3.42Å; K96-F125 HydrophobicContact CG-CB 4.12Å; I117-F125 HydrophobicContact CD1-CE2 4.09Å; I117-F125 HydrophobicContact CD1-CZ 4.35Å; I117-F125 HydrophobicContact CG2-CE2 4.25Å; T121-F125 HydrophobicContact CG2-CE1 3.95Å; T121-F125 HydrophobicContact CG2-CE2 4.01Å; T121-F125 HydrophobicContact CG2-CZ 3.36Å; Y122-F125 PolarHBondContact O-N 2.82Å; S123-F125 VanDerWaalsContact C-N 3.33Å; F125-F223 AromaticContact CE1-CE2 3.84Å; F125-F223 HydrophobicContact CE1-CE2 3.84Å; F125-F223 HydrophobicContact CE1-CZ 4.22Å; F125-F223 AromaticContact CZ-CE2 3.85Å; F125-F223 HydrophobicContact CZ-CE2 3.85Å; F125-F223 HydrophobicContact CZ-CZ 4.1Å; F125-F250 HydrophobicContact CD1-CD2 4.07Å; F125-F250 AromaticContact CE1-CD2 3.81Å; F125-F250 HydrophobicContact CE1-CD2 3.81Å
126	P	97.4	Very high	96	Very high	38 Å²	38	59.9 Å²	59.9	25%	0.247	33%	0.326	C	S	.	.			trans	-66.1	162.4	167.9	31.8	-36.5	0	0	0	110.4	M94 T95 K96 L249	M94-P126 WeakPolarHBondContact O-CD 3.2Å; T95-P126 CarbonylContact C-O 3.55Å; T95-P126 VanDerWaalsContact CA-O 3.3Å; T95-P126 WeakPolarHBondContact CA-O 3.21Å; T95-P126 HydrophobicContact CG2-CG 4.38Å; K96-P126 PolarHBondContact N-O 3.38Å; P126-L249 HydrophobicContact CG-CD2 4.09Å
127	Q	96.2	Very high	96	Very high	124 Å²	124	59.3 Å²	59.3	58%	0.579	32%	0.316	S	S	*	.	S	Bend	trans	-60.5	-49	177.4	-67.4	-63.5	-10.6	0	0	111.5	T95 M97	T95-Q127 WeakPolarHBondContact CB-O 3.37Å; M97-Q127 VanDerWaalsContact CG-O 3.29Å; M97-Q127 WeakPolarHBondContact CG-O 3.31Å; M97-Q127 PolarHBondContact N-O 2.98Å
128	A	96.1	Very high	96.1	Very high	38 Å²	38	59.2 Å²	59.2	31%	0.314	32%	0.316	S	S	.	.	S	Bend	trans	-140.1	175.7	177.5	0	0	0	0	0	110	T95 M97	T95-A128 VanDerWaalsContact CG2-C 3.43Å; M97-A128 HydrophobicContact CE-CB 3.53Å; M97-A128 HydrophobicContact SD-CB 4.07Å
129	T	94.9	Very high	96.2	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.123	30%	0.299	C	S	.	.			trans	-56.6	122.3	172.3	-58	0	0	0	0	108.9	A89 F92 F131	A89-T129 WeakPolarHBondContact O-CB 3.42Å; A89-T129 PolarHBondContact O-OG1 3.13Å; F92-T129 HydrophobicContact CD1-CG2 4.43Å; T129-F131 HydrophobicContact CG2-CB 4.39Å; T129-F131 HydrophobicContact CG2-CD2 3.52Å; T129-F131 HydrophobicContact CG2-CE2 3.96Å; T129-F131 HydrophobicContact CG2-CG 4.09Å; T129-F131 PolarHBondContact O-N 2.9Å
130	P	94.6	Very high	96.3	Very high	49 Å²	49	50.6 Å²	50.6	32%	0.318	27%	0.27	S	S	.	.	S	Bend	trans	-82.8	36.5	-167.4	35.7	-38.9	0	0	0	113.1	Y217 L249	P130-Y217 HydrophobicContact CB-CE1 4.25Å; P130-Y217 HydrophobicContact CG-CD1 4.41Å; P130-Y217 HydrophobicContact CG-CE1 3.72Å; P130-Y217 PolarHBondContact O-OH 2.76Å; P130-L249 HydrophobicContact CG-CD1 3.93Å; P130-L249 HydrophobicContact CG-CD2 4.02Å
131	F	94.7	Very high	96.5	Very high	22 Å²	22	48 Å²	48	10%	0.096	25%	0.252	C	S	.	.	S	Bend	trans	-117.1	135.6	-179.8	-53.8	-34.2	0	0	0	109.7	F92 T129 L133 L135 F161 L184 Y217 L249 L286	F92-F131 AromaticContact CD1-CE2 3.64Å; F92-F131 HydrophobicContact CD1-CE2 3.64Å; F92-F131 HydrophobicContact CD1-CZ 4.29Å; F92-F131 AromaticContact CE1-CE2 3.5Å; F92-F131 HydrophobicContact CE1-CE2 3.5Å; F92-F131 VanDerWaalsContact CE1-CE2 3.5Å; F92-F131 AromaticContact CE1-CZ 3.78Å; F92-F131 HydrophobicContact CE1-CZ 3.78Å; F92-F131 HydrophobicContact CZ-CE2 4.42Å; T129-F131 HydrophobicContact CG2-CB 4.39Å; T129-F131 HydrophobicContact CG2-CD2 3.52Å; T129-F131 HydrophobicContact CG2-CE2 3.96Å; T129-F131 HydrophobicContact CG2-CG 4.09Å; T129-F131 PolarHBondContact O-N 2.9Å; F131-L133 HydrophobicContact CB-CD2 3.78Å; F131-L133 HydrophobicContact CB-CG 4.22Å; F131-L133 PolarHBondContact O-N 3.3Å; F131-L135 HydrophobicContact CB-CD2 4.39Å; F131-F161 HydrophobicContact CD1-CE2 4.14Å; F131-F161 HydrophobicContact CD1-CZ 4.28Å; F131-F161 HydrophobicContact CE1-CE2 4.01Å; F131-F161 AromaticContact CE1-CZ 3.75Å; F131-F161 HydrophobicContact CE1-CZ 3.75Å; F131-F161 AromaticContact CZ-CZ 3.93Å; F131-F161 HydrophobicContact CZ-CZ 3.93Å; F131-L184 HydrophobicContact CZ-CD1 3.95Å; F131-Y217 HydrophobicContact CD1-CE2 4.25Å; F131-Y217 AromaticContact CE1-CD2 3.76Å; F131-Y217 HydrophobicContact CE1-CD2 3.76Å; F131-Y217 AromaticContact CE1-CE2 3.64Å; F131-Y217 HydrophobicContact CE1-CE2 3.64Å; F131-Y217 HydrophobicContact CE1-CG 4.49Å; F131-Y217 HydrophobicContact CZ-CD2 4.49Å; F131-L249 HydrophobicContact CZ-CD1 4.26Å; F131-L286 HydrophobicContact CD2-CD1 4.37Å; F131-L286 HydrophobicContact CE2-CD1 4.34Å
132	Q	93.3	Very high	96.8	Very high	184 Å²	184	47.4 Å²	47.4	86%	0.86	25%	0.249	S	C	*	.			trans	-78.9	103.7	165.6	-170.1	171.8	16.3	0	0	108.2
133	L	94.6	Very high	96.8	Very high	67 Å²	67	45.3 Å²	45.3	35%	0.351	24%	0.242	S	C	.	.	S	Bend	trans	-91.6	150.4	-176.8	-60.4	179.3	0	0	0	111.7	A89 F131 L135 L286	A89-L133 HydrophobicContact CB-CD1 3.76Å; F131-L133 HydrophobicContact CB-CD2 3.78Å; F131-L133 HydrophobicContact CB-CG 4.22Å; F131-L133 PolarHBondContact O-N 3.3Å; L133-L135 HydrophobicContact CD2-CG 4.01Å; L133-L286 HydrophobicContact CD1-CD2 3.7Å; L133-L286 HydrophobicContact CD2-CB 4.14Å; L133-L286 HydrophobicContact CD2-CD2 3.82Å; L133-L286 HydrophobicContact CG-CD2 4.44Å
134	P	95.1	Very high	96.9	Very high	74 Å²	74	42.5 Å²	42.5	48%	0.481	22%	0.224	S	C	.	.	S	Bend	cis	-75.2	146.1	-5.4	32.8	-35	0	0	0	111.9	E288	P134-E288 HydrophobicContact CB-CG 4.1Å; P134-E288 HydrophobicContact CG-CG 4.14Å
135	L	97.4	Very high	96.9	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.4	167.1	-61.2	173.4	0	0	0	108.5	F131 L133 F161 M163 L286 C287 E288	F131-L135 HydrophobicContact CB-CD2 4.39Å; L133-L135 HydrophobicContact CD2-CG 4.01Å; L135-F161 HydrophobicContact CD1-CB 4.18Å; L135-F161 HydrophobicContact CD1-CD1 4.05Å; L135-F161 HydrophobicContact CD1-CD2 3.98Å; L135-F161 HydrophobicContact CD1-CE1 4.42Å; L135-F161 HydrophobicContact CD1-CE2 4.34Å; L135-F161 HydrophobicContact CD1-CG 3.81Å; L135-F161 HydrophobicContact CD2-CD2 3.93Å; L135-F161 HydrophobicContact CD2-CE2 4.46Å; L135-F161 HydrophobicContact CD2-CG 4.41Å; L135-M163 HydrophobicContact CD1-CE 4.28Å; L135-L286 HydrophobicContact CD1-CB 4.3Å; L135-L286 PolarHBondContact N-O 2.84Å; L135-C287 HydrophobicContact CB-CB 4.26Å; L135-C287 CarbonylContact O-C 3.6Å; L135-C287 WeakPolarHBondContact O-CA 3.27Å; L135-E288 PolarHBondContact O-N 3.34Å
136	K	96.6	Very high	96.9	Very high	137 Å²	137	43 Å²	43	60%	0.596	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	-104.8	-179.4	-66.7	-176.1	-179.8	-177.1	0	111.6	N160 E288 E289	K136-N160 HydrophobicContact CB-CB 4.35Å; K136-N160 VanDerWaalsContact CB-OD1 3.24Å; K136-N160 WeakPolarHBondContact CB-OD1 3.26Å; K136-E288 PolarHBondContact O-N 3.41Å; K136-E289 PolarHBondContact O-N 3.44Å; K136-E289 VanDerWaalsContact O-N 3.08Å
137	K	98.2	Very high	96.9	Very high	69 Å²	69	41.4 Å²	41.4	30%	0.3	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117.1	178.7	-169.8	-179.6	-179.7	-173.1	0	110.5	N160 F161 E289	K137-N160 WeakPolarHBondContact CB-OD1 3.37Å; K137-N160 PolarHBondContact N-OD1 2.7Å; K137-N160 PolarHBondContact O-N 3.47Å; K137-F161 PolarHBondContact O-N 3.4Å; K137-E289 HydrophobicContact CB-CB 4.49Å; K137-E289 HydrophobicContact CG-CB 4.37Å
138	C	98.8	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.8	177.4	-68	0	0	0	0	111.7	F161 C287 E289 A291	C138-F161 CarbonylContact C-O 3.4Å; C138-F161 VanDerWaalsContact CA-O 3.27Å; C138-F161 WeakPolarHBondContact CA-O 3.35Å; C138-C287 HydrophobicContact CB-CB 3.61Å; C138-C287 WeakPolarHBondContact CB-SG 3.35Å; C138-C287 WeakPolarHBondContact SG-CB 3.44Å; C138-C287 CovalentContact SG-SG 2.02Å; C138-C287 PolarHBondContact SG-SG 3.16Å; C138-E289 PolarHBondContact N-O 2.91Å; C138-A291 PolarHBondContact O-N 3.26Å
139	A	98.9	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.8	165.9	0	0	0	0	0	109.4	I156 A159 F161 V162 M163 A291 Y293	A139-I156 HydrophobicContact CB-CG2 4.37Å; A139-A159 HydrophobicContact CB-CB 3.67Å; A139-F161 PolarHBondContact N-O 3.24Å; A139-V162 HydrophobicContact CB-CG2 4.37Å; A139-V162 WeakPolarHBondContact O-CA 3.36Å; A139-M163 PolarHBondContact O-N 3.19Å; A139-A291 CarbonylContact C-O 3.3Å; A139-A291 VanDerWaalsContact CA-O 3.31Å; A139-A291 WeakPolarHBondContact CA-O 3.47Å; A139-Y293 HydrophobicContact CB-CD2 4.28Å; A139-Y293 HydrophobicContact CB-CE2 3.92Å
140	V	98.9	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	168.7	-171.2	0	0	0	0	108.1	M163 L279 V280 A283 V290 A291 I292 Y293 F295	V140-M163 WeakPolarHBondContact CA-O 3.29Å; V140-M163 HydrophobicContact CG1-CB 4.4Å; V140-M163 HydrophobicContact CG2-CB 4.35Å; V140-M163 HydrophobicContact CG2-SD 4.29Å; V140-L279 HydrophobicContact CG1-CB 3.77Å; V140-L279 HydrophobicContact CG1-CD1 4.45Å; V140-V280 HydrophobicContact CB-CG2 4.17Å; V140-V280 HydrophobicContact CG1-CG2 3.93Å; V140-V280 HydrophobicContact CG2-CG2 4.44Å; V140-A283 HydrophobicContact CG2-CB 3.58Å; V140-V290 HydrophobicContact CG2-CG1 4.34Å; V140-A291 PolarHBondContact N-O 2.83Å; V140-I292 HydrophobicContact CB-CG2 4.17Å; V140-I292 CarbonylContact O-C 3.47Å; V140-I292 VanDerWaalsContact O-CA 3.32Å; V140-I292 WeakPolarHBondContact O-CA 3.42Å; V140-Y293 PolarHBondContact O-N 3.42Å; V140-F295 HydrophobicContact CB-CE2 4.37Å; V140-F295 HydrophobicContact CG1-CE2 4.05Å; V140-F295 HydrophobicContact CG1-CZ 3.83Å
141	V	98.9	Very high	96.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	105.6	-176	-170.1	0	0	0	0	108.3	L147 I156 V162 M163 R164 C165	V141-L147 HydrophobicContact CG1-CD1 4.06Å; V141-I156 HydrophobicContact CG1-CD1 4.44Å; V141-I156 HydrophobicContact CG2-CD1 4.16Å; V141-I156 HydrophobicContact CG2-CG1 4.32Å; V141-I156 HydrophobicContact CG2-CG2 3.72Å; V141-V162 HydrophobicContact CG2-CG1 4.1Å; V141-M163 PolarHBondContact N-O 2.93Å; V141-R164 HydrophobicContact CB-CG 4.37Å; V141-C165 PolarHBondContact O-N 3.06Å; V141-C165 PolarHBondContact O-SG 3.32Å
142	G	98.6	Very high	97.1	Very high	5 Å²	5	45.4 Å²	45.4	5%	0.052	23%	0.225	C	C	.	.			trans	-74.5	174.5	164.4	0	0	0	0	0	110.9	L147 Y293	G142-L147 WeakPolarHBondContact O-CD1 3.29Å; G142-Y293 PolarHBondContact N-O 2.89Å
143	N	98.4	Very high	97.3	Very high	16 Å²	16	36.7 Å²	36.7	9%	0.086	19%	0.185	C	C	.	.			trans	-101.6	4.7	-172.2	-65	-12.4	0	0	0	113.5	C165 H310 Y311 Y312	N143-C165 PolarHBondContact ND2-O 3.44Å; N143-C165 PolarHBondContact OD1-O 2.86Å; N143-H310 CarbonylContact O-C 3.54Å; N143-H310 WeakPolarHBondContact O-CA 3.19Å; N143-Y311 HydrophobicContact CB-CE1 4.43Å; N143-Y311 WeakPolarHBondContact O-CD1 3.3Å; N143-Y311 PolarHBondContact O-N 3.42Å; N143-Y312 HydrophobicContact CB-CE1 3.92Å; N143-Y312 PolarHBondContact ND2-OH 2.85Å; N143-Y312 VanDerWaalsContact ND2-OH 3.13Å
144	G	98.1	Very high	97.5	Very high	8 Å²	8	40.3 Å²	40.3	8%	0.082	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-55.8	141.4	-171.4	0	0	0	0	0	114	I146 L147 G294 H309	G144-I146 PolarHBondContact O-N 2.89Å; G144-L147 PolarHBondContact O-N 3.17Å; G144-L147 VanDerWaalsContact O-N 3.16Å; G144-G294 WeakPolarHBondContact CA-O 3.33Å; G144-G294 PolarHBondContact N-O 2.87Å; G144-H309 WeakPolarHBondContact CA-O 3.36Å
145	G	97.5	Very high	97.6	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.6	-16.4	-179.1	0	0	0	0	0	115.3	L147 K148 S308 H309	G145-L147 PolarHBondContact O-N 3.44Å; G145-K148 WeakPolarHBondContact O-CB 3.49Å; G145-K148 PolarHBondContact O-N 3.04Å; G145-S308 VanDerWaalsContact CA-O 3.3Å; G145-S308 WeakPolarHBondContact CA-O 3.42Å; G145-H309 PolarHBondContact N-O 3.21Å
146	I	96.8	Very high	97.6	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.128	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-56	-22	173	-162	64.7	0	0	0	113.1	G144 K148 W296 N301 I307	G144-I146 PolarHBondContact O-N 2.89Å; I146-K148 VanDerWaalsContact C-N 3.28Å; I146-K148 PolarHBondContact O-N 3.24Å; I146-W296 HydrophobicContact CB-CB 3.82Å; I146-W296 HydrophobicContact CB-CG 4.04Å; I146-W296 HydrophobicContact CG1-CB 4.34Å; I146-W296 HydrophobicContact CG1-CG 4.29Å; I146-W296 HydrophobicContact CG2-CB 3.57Å; I146-W296 HydrophobicContact CG2-CG 4.33Å; I146-N301 HydrophobicContact CD1-CB 3.96Å; I146-I307 HydrophobicContact CB-CD1 4.42Å; I146-I307 HydrophobicContact CD1-CD1 4.37Å
147	L	97.7	Very high	97.7	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.6	-20.6	177.3	-70.8	170.2	0	0	0	113.6	V141 G142 G144 G145 K149 S150 D177 V178 Y311	V141-L147 HydrophobicContact CG1-CD1 4.06Å; G142-L147 WeakPolarHBondContact O-CD1 3.29Å; G144-L147 PolarHBondContact O-N 3.17Å; G144-L147 VanDerWaalsContact O-N 3.16Å; G145-L147 PolarHBondContact O-N 3.44Å; L147-K149 PolarHBondContact O-N 3.3Å; L147-S150 WeakPolarHBondContact O-CB 3.4Å; L147-S150 PolarHBondContact O-N 2.89Å; L147-S150 PolarHBondContact O-OG 3.45Å; L147-D177 VanDerWaalsContact O-CB 3.24Å; L147-D177 WeakPolarHBondContact O-CB 3.45Å; L147-D177 VanDerWaalsContact O-CG 3.31Å; L147-V178 HydrophobicContact CB-CG1 4.06Å; L147-V178 HydrophobicContact CD1-CG1 3.94Å; L147-V178 HydrophobicContact CG-CG1 4.5Å; L147-Y311 HydrophobicContact CD1-CD1 4.03Å; L147-Y311 HydrophobicContact CD1-CE1 4.47Å
148	K	95.7	Very high	97.7	Very high	121 Å²	121	34.1 Å²	34.1	53%	0.526	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	124.7	-175	-157.6	173.5	-169.1	168.3	0	110.2	G145 I146 S150	G145-K148 WeakPolarHBondContact O-CB 3.49Å; G145-K148 PolarHBondContact O-N 3.04Å; I146-K148 VanDerWaalsContact C-N 3.28Å; I146-K148 PolarHBondContact O-N 3.24Å; K148-S150 PolarHBondContact O-N 2.97Å
149	K	94.5	Very high	97.7	Very high	185 Å²	185	34.2 Å²	34.2	80%	0.804	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	22.7	-172.7	-53.2	177.9	176.8	-179.8	0	114.5	L147 D177	L147-K149 PolarHBondContact O-N 3.3Å; K149-D177 VanDerWaalsContact C-OD1 3.26Å; K149-D177 WeakPolarHBondContact CA-OD1 3.26Å; K149-D177 PolarHBondContact N-OD1 3.1Å; K149-D177 PolarHBondContact N-OD2 3.46Å
150	S	95.9	Very high	97.6	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	19%	0.185	C	C	.	.			trans	-75.6	-22.3	177.3	64.9	0	0	0	0	113.6	L147 K148 C152 D177 P346 C347	L147-S150 WeakPolarHBondContact O-CB 3.4Å; L147-S150 PolarHBondContact O-N 2.89Å; L147-S150 PolarHBondContact O-OG 3.45Å; K148-S150 PolarHBondContact O-N 2.97Å; S150-C152 PolarHBondContact O-N 2.8Å; S150-C152 PolarHBondContact OG-N 2.83Å; S150-D177 PolarHBondContact N-OD1 3.14Å; S150-D177 PolarHBondContact OG-O 2.89Å; S150-P346 CarbonylContact O-C 3.46Å; S150-P346 VanDerWaalsContact O-CA 3.31Å; S150-P346 WeakPolarHBondContact O-CA 3.28Å; S150-C347 PolarHBondContact O-N 2.86Å
151	G	97.1	Very high	97.6	Very high	19 Å²	19	39 Å²	39	20%	0.196	19%	0.188	C	C	.	.			trans	67.2	10.1	-174.9	0	0	0	0	0	114.6	G153 K176 D177	G151-G153 PolarHBondContact O-N 3.4Å; G151-K176 CarbonylContact C-O 3.47Å; G151-K176 WeakPolarHBondContact CA-O 3.46Å; G151-D177 PolarHBondContact N-OD1 2.94Å
152	C	98	Very high	97.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.3	-172.7	-71.5	0	0	0	0	115.4	S150 R154 Q155 I156 D177 Y293 C347	S150-C152 PolarHBondContact O-N 2.8Å; S150-C152 PolarHBondContact OG-N 2.83Å; C152-R154 VanDerWaalsContact C-N 3.34Å; C152-R154 PolarHBondContact O-N 2.91Å; C152-Q155 PolarHBondContact O-N 2.7Å; C152-Q155 VanDerWaalsContact O-N 3.17Å; C152-I156 HydrophobicContact CB-CD1 4.18Å; C152-I156 WeakPolarHBondContact O-CG1 3.29Å; C152-I156 PolarHBondContact O-N 2.97Å; C152-D177 CarbonylContact C-O 3.6Å; C152-D177 WeakPolarHBondContact CB-O 3.23Å; C152-Y293 HydrophobicContact CB-CD1 4.16Å; C152-Y293 HydrophobicContact CB-CE1 4.31Å; C152-C347 WeakPolarHBondContact CA-SG 3.38Å; C152-C347 HydrophobicContact CB-CB 3.89Å; C152-C347 WeakPolarHBondContact CB-SG 3.49Å; C152-C347 WeakPolarHBondContact SG-CB 3.32Å; C152-C347 PolarHBondContact SG-N 2.95Å; C152-C347 CovalentContact SG-SG 2.04Å; C152-C347 PolarHBondContact SG-SG 3.02Å
153	G	98	Very high	97.6	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-41.7	-171.9	0	0	0	0	0	113.6	G151 I156 D157 K176 D177	G151-G153 PolarHBondContact O-N 3.4Å; G153-I156 PolarHBondContact O-N 3.11Å; G153-D157 WeakPolarHBondContact O-CB 3.48Å; G153-D157 PolarHBondContact O-N 2.82Å; G153-K176 WeakPolarHBondContact CA-O 3.45Å; G153-K176 PolarHBondContact N-O 2.84Å; G153-D177 PolarHBondContact N-O 3.19Å
154	R	97.4	Very high	97.7	Very high	142 Å²	142	37.9 Å²	37.9	54%	0.536	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-47.2	176.2	-178.2	179.3	170.2	177.4	0.4	111.9	C152 I156 D157 E158	C152-R154 VanDerWaalsContact C-N 3.34Å; C152-R154 PolarHBondContact O-N 2.91Å; R154-I156 VanDerWaalsContact C-N 3.31Å; R154-I156 PolarHBondContact O-N 3.26Å; R154-D157 CarbonylContact O-C 3.22Å; R154-D157 PolarHBondContact O-N 3.15Å; R154-D157 VanDerWaalsContact O-N 3.14Å; R154-E158 IonicContact NE-OE1 3.91Å; R154-E158 WeakPolarHBondContact O-CG 3.42Å; R154-E158 PolarHBondContact O-N 3.39Å
155	Q	97.7	Very high	97.7	Very high	39 Å²	39	37.7 Å²	37.7	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-35.3	-179.6	-168.9	-177	-52.1	0	0	112.2	C152 Y293 C347	C152-Q155 PolarHBondContact O-N 2.7Å; C152-Q155 VanDerWaalsContact O-N 3.17Å; Q155-Y293 WeakPolarHBondContact CG-OH 3.39Å; Q155-Y293 PolarHBondContact NE2-OH 3.39Å; Q155-C347 PolarHBondContact OE1-SG 3.1Å; Q155-C347 VanDerWaalsContact OE1-SG 3.34Å
156	I	98.6	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-48	171.9	-70.8	164.4	0	0	0	109.9	A139 V141 C152 G153 R154 E158 A159 V162 Y293	A139-I156 HydrophobicContact CB-CG2 4.37Å; V141-I156 HydrophobicContact CG1-CD1 4.44Å; V141-I156 HydrophobicContact CG2-CD1 4.16Å; V141-I156 HydrophobicContact CG2-CG1 4.32Å; V141-I156 HydrophobicContact CG2-CG2 3.72Å; C152-I156 HydrophobicContact CB-CD1 4.18Å; C152-I156 WeakPolarHBondContact O-CG1 3.29Å; C152-I156 PolarHBondContact O-N 2.97Å; G153-I156 PolarHBondContact O-N 3.11Å; R154-I156 VanDerWaalsContact C-N 3.31Å; R154-I156 PolarHBondContact O-N 3.26Å; I156-E158 PolarHBondContact O-N 3.26Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.16Å; I156-A159 VanDerWaalsContact O-N 3.1Å; I156-V162 HydrophobicContact CG2-CG1 4.07Å; I156-V162 HydrophobicContact CG2-CG2 4.49Å; I156-Y293 HydrophobicContact CD1-CD1 4.06Å; I156-Y293 HydrophobicContact CD1-CD2 4.43Å; I156-Y293 HydrophobicContact CD1-CG 3.99Å; I156-Y293 HydrophobicContact CG1-CD1 3.82Å; I156-Y293 HydrophobicContact CG1-CD2 3.82Å; I156-Y293 HydrophobicContact CG1-CE1 3.9Å; I156-Y293 HydrophobicContact CG1-CE2 3.89Å; I156-Y293 HydrophobicContact CG1-CG 3.79Å
157	D	98.1	Very high	97.7	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.193	18%	0.181	C	C	.	.	H	α-helix	trans	-70.6	-11.4	-177.5	-74.3	-1.4	0	0	0	112.9	G153 R154 A159 R164 G179 S180 K181	G153-D157 WeakPolarHBondContact O-CB 3.48Å; G153-D157 PolarHBondContact O-N 2.82Å; R154-D157 CarbonylContact O-C 3.22Å; R154-D157 PolarHBondContact O-N 3.15Å; R154-D157 VanDerWaalsContact O-N 3.14Å; D157-A159 VanDerWaalsContact C-N 3.3Å; D157-R164 IonicContact OD1-NH2 2.69Å; D157-G179 WeakPolarHBondContact OD1-CA 3.3Å; D157-S180 PolarHBondContact OD1-N 3.17Å; D157-S180 VanDerWaalsContact OD1-N 3.12Å; D157-S180 PolarHBondContact OD2-N 2.92Å; D157-S180 PolarHBondContact OD2-OG 2.79Å; D157-K181 HydrophobicContact CB-CB 4.1Å; D157-K181 WeakPolarHBondContact O-CD 3.39Å; D157-K181 WeakPolarHBondContact O-CE 3.24Å; D157-K181 PolarHBondContact O-NZ 3.02Å; D157-K181 WeakPolarHBondContact OD1-CB 3.12Å; D157-K181 PolarHBondContact OD1-N 3.3Å; D157-K181 PolarHBondContact OD2-N 2.84Å
158	E	98	Very high	97.7	Very high	95 Å²	95	38.1 Å²	38.1	44%	0.444	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.3	170.1	-76.2	170.6	-172.2	0	0	113.7	R154 I156	R154-E158 IonicContact NE-OE1 3.91Å; R154-E158 WeakPolarHBondContact O-CG 3.42Å; R154-E158 PolarHBondContact O-N 3.39Å; I156-E158 PolarHBondContact O-N 3.26Å
159	A	98.4	Very high	97.7	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	16%	0.163	C	C	.	.	S	Bend	trans	-65.6	150.5	177.9	0	0	0	0	0	112.2	A139 I156 D157 V162 K181	A139-A159 HydrophobicContact CB-CB 3.67Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.16Å; I156-A159 VanDerWaalsContact O-N 3.1Å; D157-A159 VanDerWaalsContact C-N 3.3Å; A159-V162 HydrophobicContact CB-CG2 4.06Å; A159-K181 WeakPolarHBondContact O-CD 3.42Å; A159-K181 PolarHBondContact O-NZ 3.14Å
160	N	98.3	Very high	97.8	Very high	87 Å²	87	25.4 Å²	25.4	47%	0.465	13%	0.128	S	C	.	.	S	Bend	trans	-74.3	-30.4	174.1	-57.7	114	0	0	0	111.6	K136 K137 H183	K136-N160 HydrophobicContact CB-CB 4.35Å; K136-N160 VanDerWaalsContact CB-OD1 3.24Å; K136-N160 WeakPolarHBondContact CB-OD1 3.26Å; K137-N160 WeakPolarHBondContact CB-OD1 3.37Å; K137-N160 PolarHBondContact N-OD1 2.7Å; K137-N160 PolarHBondContact O-N 3.47Å; N160-H183 PolarHBondContact O-CE1 2.94Å; N160-H183 VanDerWaalsContact O-CE1 3.22Å; N160-H183 PolarHBondContact O-NE2 3.25Å
161	F	98.7	Very high	97.5	Very high	14 Å²	14	27 Å²	27	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.2	177.2	-159	-86.9	0	0	0	110.1	F131 L135 K137 C138 A139 M163 H183 L184	F131-F161 HydrophobicContact CD1-CE2 4.14Å; F131-F161 HydrophobicContact CD1-CZ 4.28Å; F131-F161 HydrophobicContact CE1-CE2 4.01Å; F131-F161 AromaticContact CE1-CZ 3.75Å; F131-F161 HydrophobicContact CE1-CZ 3.75Å; F131-F161 AromaticContact CZ-CZ 3.93Å; F131-F161 HydrophobicContact CZ-CZ 3.93Å; L135-F161 HydrophobicContact CD1-CB 4.18Å; L135-F161 HydrophobicContact CD1-CD1 4.05Å; L135-F161 HydrophobicContact CD1-CD2 3.98Å; L135-F161 HydrophobicContact CD1-CE1 4.42Å; L135-F161 HydrophobicContact CD1-CE2 4.34Å; L135-F161 HydrophobicContact CD1-CG 3.81Å; L135-F161 HydrophobicContact CD2-CD2 3.93Å; L135-F161 HydrophobicContact CD2-CE2 4.46Å; L135-F161 HydrophobicContact CD2-CG 4.41Å; K137-F161 PolarHBondContact O-N 3.4Å; C138-F161 CarbonylContact C-O 3.4Å; C138-F161 VanDerWaalsContact CA-O 3.27Å; C138-F161 WeakPolarHBondContact CA-O 3.35Å; A139-F161 PolarHBondContact N-O 3.24Å; F161-M163 HydrophobicContact CD1-CE 3.67Å; F161-M163 HydrophobicContact CD1-CG 3.73Å; F161-M163 HydrophobicContact CE1-CE 3.69Å; F161-M163 HydrophobicContact CE1-CG 3.7Å; F161-H183 HydrophobicContact CD1-CB 4.07Å; F161-H183 HydrophobicContact CD2-CB 3.73Å; F161-H183 HydrophobicContact CE1-CB 3.95Å; F161-H183 HydrophobicContact CE2-CB 3.61Å; F161-H183 HydrophobicContact CG-CB 3.97Å; F161-H183 HydrophobicContact CZ-CB 3.73Å; F161-L184 HydrophobicContact CE1-CB 3.72Å; F161-L184 HydrophobicContact CZ-CB 3.95Å
162	V	98.9	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.3	-177.6	-176.7	0	0	0	0	109.2	A139 V141 I156 A159 R164 K181 H183 L184	A139-V162 HydrophobicContact CB-CG2 4.37Å; A139-V162 WeakPolarHBondContact O-CA 3.36Å; V141-V162 HydrophobicContact CG2-CG1 4.1Å; I156-V162 HydrophobicContact CG2-CG1 4.07Å; I156-V162 HydrophobicContact CG2-CG2 4.49Å; A159-V162 HydrophobicContact CB-CG2 4.06Å; V162-R164 HydrophobicContact CG1-CG 4.13Å; V162-K181 HydrophobicContact CB-CG 4.45Å; V162-K181 VanDerWaalsContact CG1-O 3.29Å; V162-K181 WeakPolarHBondContact CG1-O 3.47Å; V162-K181 HydrophobicContact CG2-CB 4.15Å; V162-K181 HydrophobicContact CG2-CD 3.76Å; V162-K181 HydrophobicContact CG2-CG 3.8Å; V162-H183 PolarHBondContact N-ND1 2.96Å; V162-H183 VanDerWaalsContact N-ND1 3.19Å; V162-H183 PolarHBondContact O-N 2.96Å; V162-L184 PolarHBondContact O-N 2.95Å
163	M	98.9	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.5	178.5	-57.2	-176.9	-174.3	0	0	109.7	L135 A139 V140 V141 F161 L184 L279 A283	L135-M163 HydrophobicContact CD1-CE 4.28Å; A139-M163 PolarHBondContact O-N 3.19Å; V140-M163 WeakPolarHBondContact CA-O 3.29Å; V140-M163 HydrophobicContact CG1-CB 4.4Å; V140-M163 HydrophobicContact CG2-CB 4.35Å; V140-M163 HydrophobicContact CG2-SD 4.29Å; V141-M163 PolarHBondContact N-O 2.93Å; F161-M163 HydrophobicContact CD1-CE 3.67Å; F161-M163 HydrophobicContact CD1-CG 3.73Å; F161-M163 HydrophobicContact CE1-CE 3.69Å; F161-M163 HydrophobicContact CE1-CG 3.7Å; M163-L184 CarbonylContact C-O 3.54Å; M163-L184 VanDerWaalsContact CA-O 3.29Å; M163-L184 WeakPolarHBondContact CA-O 3.48Å; M163-L184 HydrophobicContact CB-CD2 4.4Å; M163-L184 HydrophobicContact CG-CB 4.43Å; M163-L184 HydrophobicContact CG-CD2 4.45Å; M163-L279 HydrophobicContact CB-CD1 4.25Å; M163-A283 HydrophobicContact CE-CB 4.17Å; M163-A283 HydrophobicContact SD-CB 4.01Å
164	R	98.8	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.1	-177.4	-61.7	-174.9	178.6	-86.9	-1.6	111.7	V141 D157 V162 P168 V178 G179 K181 L184 V185 T186	V141-R164 HydrophobicContact CB-CG 4.37Å; D157-R164 IonicContact OD1-NH2 2.69Å; V162-R164 HydrophobicContact CG1-CG 4.13Å; R164-P168 HydrophobicContact CB-CG 4.27Å; R164-V178 VanDerWaalsContact CZ-O 3.27Å; R164-V178 PolarHBondContact NH1-O 3.31Å; R164-V178 PolarHBondContact NH2-O 2.94Å; R164-G179 PolarHBondContact NH2-O 3.29Å; R164-K181 PolarHBondContact NE-O 3.19Å; R164-K181 PolarHBondContact NH2-O 3.27Å; R164-L184 PolarHBondContact N-O 3.26Å; R164-V185 HydrophobicContact CB-CB 4.23Å; R164-V185 HydrophobicContact CB-CG2 3.96Å; R164-V185 WeakPolarHBondContact O-CA 3.49Å; R164-T186 PolarHBondContact O-N 2.94Å
165	C	98.3	Very high	97	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.034	19%	0.189	C	C	.	.	S	Bend	trans	-96.8	124.1	-177.5	-58.6	0	0	0	0	111.8	V141 N143 P168 T275	V141-C165 PolarHBondContact O-N 3.06Å; V141-C165 PolarHBondContact O-SG 3.32Å; N143-C165 PolarHBondContact ND2-O 3.44Å; N143-C165 PolarHBondContact OD1-O 2.86Å; C165-P168 VanDerWaalsContact O-CD 3.25Å; C165-P168 WeakPolarHBondContact O-CD 3.48Å; C165-T275 HydrophobicContact CB-CG2 4.29Å
166	N	97.7	Very high	97	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.219	21%	0.211	C	C	.	.	S	Bend	trans	65.5	46.1	155.4	-68.1	-29.9	0	0	0	114.9	T186 I191 T275	N166-T186 CarbonylContact C-O 3.46Å; N166-T186 WeakPolarHBondContact CA-O 3.49Å; N166-T186 PolarHBondContact N-O 2.74Å; N166-T186 PolarHBondContact N-OG1 3.32Å; N166-T186 PolarHBondContact OD1-OG1 3.03Å; N166-I191 VanDerWaalsContact CA-CD1 3.47Å; N166-I191 HydrophobicContact CB-CD1 3.33Å; N166-T275 PolarHBondContact ND2-OG1 3.4Å
167	L	97.9	Very high	96.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	46.6	53.9	177.1	-56.6	175.8	0	0	0	113.4	V185 T186 A187 I191 I192 R195 F196 F206 M210 Y213 I218	L167-V185 HydrophobicContact CD2-CG1 3.84Å; L167-V185 HydrophobicContact CD2-CG2 3.89Å; L167-T186 PolarHBondContact N-O 3.3Å; L167-A187 HydrophobicContact CD1-CB 3.63Å; L167-A187 HydrophobicContact CD2-CB 4.12Å; L167-A187 HydrophobicContact CG-CB 3.75Å; L167-I191 HydrophobicContact CD1-CG2 4.29Å; L167-I192 HydrophobicContact CD1-CD1 4.28Å; L167-R195 PolarHBondContact O-NH1 2.54Å; L167-F196 HydrophobicContact CD1-CE2 4.18Å; L167-F206 HydrophobicContact CD1-CE2 4.36Å; L167-M210 HydrophobicContact CD1-CE 3.79Å; L167-M210 HydrophobicContact CD1-SD 4.45Å; L167-M210 HydrophobicContact CD2-CE 3.89Å; L167-M210 HydrophobicContact CD2-SD 3.94Å; L167-M210 HydrophobicContact CG-CE 4.31Å; L167-Y213 WeakPolarHBondContact CA-OH 3.46Å; L167-Y213 HydrophobicContact CD2-CD2 4.46Å; L167-Y213 HydrophobicContact CD2-CE2 3.91Å; L167-Y213 PolarHBondContact O-OH 2.91Å; L167-I218 HydrophobicContact CD2-CD1 4.41Å
168	P	97.3	Very high	96.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.206	C	C	.	.			trans	-76	149.2	-173.3	38.6	-35.5	0	0	0	110.2	R164 C165 L170 Y213 Y311 Y312	R164-P168 HydrophobicContact CB-CG 4.27Å; C165-P168 VanDerWaalsContact O-CD 3.25Å; C165-P168 WeakPolarHBondContact O-CD 3.48Å; P168-L170 PolarHBondContact O-N 3.33Å; P168-Y213 WeakPolarHBondContact CD-OH 3.35Å; P168-Y213 PolarHBondContact O-OH 3.35Å; P168-Y311 HydrophobicContact CB-CE1 4.46Å; P168-Y311 WeakPolarHBondContact CB-OH 3.27Å; P168-Y312 HydrophobicContact CB-CE1 3.85Å
169	P	95.8	Very high	96.9	Very high	24 Å²	24	34.3 Å²	34.3	16%	0.156	19%	0.185	C	C	.	.			trans	-62.1	138	178.5	27.9	-34.6	0	0	0	111.3	Y174 Y311 Y312	P169-Y174 HydrophobicContact CB-CD2 4.04Å; P169-Y174 HydrophobicContact CB-CE2 3.84Å; P169-Y174 HydrophobicContact CG-CD2 4.12Å; P169-Y174 HydrophobicContact CG-CE2 3.77Å; P169-Y311 HydrophobicContact CG-CE2 4.46Å; P169-Y311 PolarHBondContact O-OH 3.33Å; P169-Y312 VanDerWaalsContact CD-CD1 3.46Å; P169-Y312 VanDerWaalsContact CG-CB 3.42Å; P169-Y312 HydrophobicContact CG-CD1 3.65Å; P169-Y312 HydrophobicContact CG-CD2 3.98Å; P169-Y312 HydrophobicContact CG-CE1 4.37Å; P169-Y312 HydrophobicContact CG-CG 3.4Å
170	L	95.5	Very high	96.9	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	21%	0.206	C	C	.	.			trans	-123.6	30.8	175.6	-54.4	177	0	0	0	111	P168 V178 I212 Y213	P168-L170 PolarHBondContact O-N 3.33Å; L170-V178 HydrophobicContact CD2-CG2 3.9Å; L170-I212 HydrophobicContact CB-CD1 4.14Å; L170-I212 HydrophobicContact CG-CD1 4.34Å; L170-Y213 HydrophobicContact CD1-CD1 4.1Å; L170-Y213 HydrophobicContact CD1-CE1 3.75Å; L170-Y213 HydrophobicContact CG-CE1 4.39Å
171	S	90.6	Very high	96.8	Very high	44 Å²	44	36.9 Å²	36.9	31%	0.308	20%	0.2	S	C	.	.			trans	-57	161.5	173.6	35	0	0	0	0	111	E173 Y174 T175	S171-E173 PolarHBondContact O-N 2.94Å; S171-E173 VanDerWaalsContact O-N 3.08Å; S171-E173 WeakPolarHBondContact OG-CG 3.43Å; S171-E173 PolarHBondContact OG-OE1 2.75Å; S171-Y174 PolarHBondContact O-N 3.08Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.3Å; S171-Y174 WeakPolarHBondContact OG-CE2 3.38Å; S171-T175 PolarHBondContact O-N 3.12Å; S171-T175 PolarHBondContact O-OG1 3.25Å; S171-T175 VanDerWaalsContact O-OG1 3.06Å
172	S	91.6	Very high	96.8	Very high	113 Å²	113	37 Å²	37	79%	0.79	20%	0.203	S	C	*	.	H	α-helix	trans	-54.2	-30.4	-179.8	49.3	0	0	0	0	113.1	Y174 T175	S172-Y174 VanDerWaalsContact C-N 3.27Å; S172-Y174 PolarHBondContact O-N 2.96Å; S172-T175 PolarHBondContact O-N 3Å
173	E	94.7	Very high	96.8	Very high	127 Å²	127	40 Å²	40	59%	0.593	22%	0.216	S	C	*	.	H	α-helix	trans	-61.5	-29.3	175.8	74.9	-166.8	137.7	0	0	113.9	S171	S171-E173 PolarHBondContact O-N 2.94Å; S171-E173 VanDerWaalsContact O-N 3.08Å; S171-E173 WeakPolarHBondContact OG-CG 3.43Å; S171-E173 PolarHBondContact OG-OE1 2.75Å
174	Y	96.7	Very high	96.8	Very high	35 Å²	35	40 Å²	40	14%	0.137	22%	0.216	C	C	.	.	H	α-helix	trans	-101.9	-17.5	-178.8	-55.1	-61.5	0	0	0	112.9	P169 S171 S172 K176 D177 V178 Y311	P169-Y174 HydrophobicContact CB-CD2 4.04Å; P169-Y174 HydrophobicContact CB-CE2 3.84Å; P169-Y174 HydrophobicContact CG-CD2 4.12Å; P169-Y174 HydrophobicContact CG-CE2 3.77Å; S171-Y174 PolarHBondContact O-N 3.08Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.3Å; S171-Y174 WeakPolarHBondContact OG-CE2 3.38Å; S172-Y174 VanDerWaalsContact C-N 3.27Å; S172-Y174 PolarHBondContact O-N 2.96Å; Y174-K176 PolarHBondContact O-N 3.48Å; Y174-K176 VanDerWaalsContact O-N 3.13Å; Y174-D177 PolarHBondContact O-N 3.39Å; Y174-V178 WeakPolarHBondContact O-CG2 3.5Å; Y174-V178 PolarHBondContact O-N 2.96Å; Y174-Y311 AromaticContact CD1-CD2 3.54Å; Y174-Y311 HydrophobicContact CD1-CD2 3.54Å; Y174-Y311 AromaticContact CD1-CE2 3.8Å; Y174-Y311 HydrophobicContact CD1-CE2 3.8Å; Y174-Y311 HydrophobicContact CD2-CE2 4.11Å; Y174-Y311 HydrophobicContact CE1-CD2 4.01Å; Y174-Y311 HydrophobicContact CE1-CE2 4.41Å; Y174-Y311 AromaticContact CG-CD2 3.91Å; Y174-Y311 HydrophobicContact CG-CD2 3.91Å; Y174-Y311 AromaticContact CG-CE2 3.65Å; Y174-Y311 HydrophobicContact CG-CE2 3.65Å
175	T	96.3	Very high	96.8	Very high	45 Å²	45	40 Å²	40	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-34.9	-169.2	-61.8	0	0	0	0	112.6	S171 S172 D177 G179	S171-T175 PolarHBondContact O-N 3.12Å; S171-T175 PolarHBondContact O-OG1 3.25Å; S171-T175 VanDerWaalsContact O-OG1 3.06Å; S172-T175 PolarHBondContact O-N 3Å; T175-D177 PolarHBondContact O-N 3.19Å; T175-G179 VanDerWaalsContact O-CA 3.26Å; T175-G179 WeakPolarHBondContact O-CA 3.46Å; T175-G179 PolarHBondContact O-N 3.07Å
176	K	97.2	Very high	96.8	Very high	152 Å²	152	39.9 Å²	39.9	66%	0.661	22%	0.216	S	C	*	.	H	α-helix	trans	-59.9	-33.8	175.9	-176.4	174.1	179.8	177.3	0	112.8	G151 G153 Y174	G151-K176 CarbonylContact C-O 3.47Å; G151-K176 WeakPolarHBondContact CA-O 3.46Å; G153-K176 WeakPolarHBondContact CA-O 3.45Å; G153-K176 PolarHBondContact N-O 2.84Å; Y174-K176 PolarHBondContact O-N 3.48Å; Y174-K176 VanDerWaalsContact O-N 3.13Å
177	D	98.1	Very high	96.8	Very high	16 Å²	16	38 Å²	38	9%	0.086	21%	0.206	C	C	.	.	H	α-helix	trans	-95.2	-39	-173.7	-71	-29.3	0	0	0	112.7	L147 K149 S150 G151 C152 G153 Y174 T175	L147-D177 VanDerWaalsContact O-CB 3.24Å; L147-D177 WeakPolarHBondContact O-CB 3.45Å; L147-D177 VanDerWaalsContact O-CG 3.31Å; K149-D177 VanDerWaalsContact C-OD1 3.26Å; K149-D177 WeakPolarHBondContact CA-OD1 3.26Å; K149-D177 PolarHBondContact N-OD1 3.1Å; K149-D177 PolarHBondContact N-OD2 3.46Å; S150-D177 PolarHBondContact N-OD1 3.14Å; S150-D177 PolarHBondContact OG-O 2.89Å; G151-D177 PolarHBondContact N-OD1 2.94Å; C152-D177 CarbonylContact C-O 3.6Å; C152-D177 WeakPolarHBondContact CB-O 3.23Å; G153-D177 PolarHBondContact N-O 3.19Å; Y174-D177 PolarHBondContact O-N 3.39Å; T175-D177 PolarHBondContact O-N 3.19Å
178	V	98.1	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-117.4	-4.7	-170	-49.8	0	0	0	0	114.2	L147 R164 L170 Y174 Y311	L147-V178 HydrophobicContact CB-CG1 4.06Å; L147-V178 HydrophobicContact CD1-CG1 3.94Å; L147-V178 HydrophobicContact CG-CG1 4.5Å; R164-V178 VanDerWaalsContact CZ-O 3.27Å; R164-V178 PolarHBondContact NH1-O 3.31Å; R164-V178 PolarHBondContact NH2-O 2.94Å; L170-V178 HydrophobicContact CD2-CG2 3.9Å; Y174-V178 WeakPolarHBondContact O-CG2 3.5Å; Y174-V178 PolarHBondContact O-N 2.96Å; V178-Y311 HydrophobicContact CG1-CD1 4.05Å; V178-Y311 HydrophobicContact CG1-CD2 4.11Å; V178-Y311 HydrophobicContact CG1-CE1 3.95Å; V178-Y311 HydrophobicContact CG1-CE2 4Å; V178-Y311 HydrophobicContact CG1-CG 4.13Å; V178-Y311 HydrophobicContact CG2-CE2 4.13Å
179	G	97.8	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.			trans	71.9	175.3	-178.8	0	0	0	0	0	112.8	D157 R164 T175	D157-G179 WeakPolarHBondContact OD1-CA 3.3Å; R164-G179 PolarHBondContact NH2-O 3.29Å; T175-G179 VanDerWaalsContact O-CA 3.26Å; T175-G179 WeakPolarHBondContact O-CA 3.46Å; T175-G179 PolarHBondContact O-N 3.07Å
180	S	97.1	Very high	96.7	Very high	66 Å²	66	40.9 Å²	40.9	46%	0.462	22%	0.223	S	C	.	.	S	Bend	trans	-115.1	-20.2	-179.5	63.9	0	0	0	0	112.9	D157 S182	D157-S180 PolarHBondContact OD1-N 3.17Å; D157-S180 VanDerWaalsContact OD1-N 3.12Å; D157-S180 PolarHBondContact OD2-N 2.92Å; D157-S180 PolarHBondContact OD2-OG 2.79Å; S180-S182 PolarHBondContact O-N 3.43Å
181	K	98	Very high	96.6	Very high	76 Å²	76	41.4 Å²	41.4	33%	0.33	23%	0.225	S	C	.	.			trans	-65.7	131.3	-178.9	-176.1	-179.4	-88.8	-173.4	0	109.7	D157 A159 V162 R164	D157-K181 HydrophobicContact CB-CB 4.1Å; D157-K181 WeakPolarHBondContact O-CD 3.39Å; D157-K181 WeakPolarHBondContact O-CE 3.24Å; D157-K181 PolarHBondContact O-NZ 3.02Å; D157-K181 WeakPolarHBondContact OD1-CB 3.12Å; D157-K181 PolarHBondContact OD1-N 3.3Å; D157-K181 PolarHBondContact OD2-N 2.84Å; A159-K181 WeakPolarHBondContact O-CD 3.42Å; A159-K181 PolarHBondContact O-NZ 3.14Å; V162-K181 HydrophobicContact CB-CG 4.45Å; V162-K181 VanDerWaalsContact CG1-O 3.29Å; V162-K181 WeakPolarHBondContact CG1-O 3.47Å; V162-K181 HydrophobicContact CG2-CB 4.15Å; V162-K181 HydrophobicContact CG2-CD 3.76Å; V162-K181 HydrophobicContact CG2-CG 3.8Å; R164-K181 PolarHBondContact NE-O 3.19Å; R164-K181 PolarHBondContact NH2-O 3.27Å
182	S	98.1	Very high	97	Very high	18 Å²	18	39.3 Å²	39.3	13%	0.126	21%	0.21	C	C	.	.			trans	-143.6	131.8	175.2	177.7	0	0	0	0	108	S180 S216	S180-S182 PolarHBondContact O-N 3.43Å; S182-S216 VanDerWaalsContact C-OG 3.25Å; S182-S216 WeakPolarHBondContact CB-OG 3.4Å; S182-S216 PolarHBondContact O-OG 2.9Å; S182-S216 PolarHBondContact OG-OG 3.13Å
183	H	98.6	Very high	97.2	Very high	61 Å²	61	38.4 Å²	38.4	28%	0.282	19%	0.19	S	C	.	.	S	Bend	trans	-113.4	-34.5	171.6	-67.4	88	0	0	0	110.6	N160 F161 V162 S216 Y217	N160-H183 PolarHBondContact O-CE1 2.94Å; N160-H183 VanDerWaalsContact O-CE1 3.22Å; N160-H183 PolarHBondContact O-NE2 3.25Å; F161-H183 HydrophobicContact CD1-CB 4.07Å; F161-H183 HydrophobicContact CD2-CB 3.73Å; F161-H183 HydrophobicContact CE1-CB 3.95Å; F161-H183 HydrophobicContact CE2-CB 3.61Å; F161-H183 HydrophobicContact CG-CB 3.97Å; F161-H183 HydrophobicContact CZ-CB 3.73Å; V162-H183 PolarHBondContact N-ND1 2.96Å; V162-H183 VanDerWaalsContact N-ND1 3.19Å; V162-H183 PolarHBondContact O-N 2.96Å; H183-S216 WeakPolarHBondContact O-CA 3.29Å; H183-Y217 WeakPolarHBondContact O-CD2 3.25Å; H183-Y217 PolarHBondContact O-N 3.4Å
184	L	98.8	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.7	175.8	-176.6	139.8	0	0	0	109.4	F92 F131 F161 V162 M163 R164 T186 Y217 Y219 L279	F92-L184 HydrophobicContact CE1-CD1 3.72Å; F92-L184 HydrophobicContact CZ-CD1 3.58Å; F131-L184 HydrophobicContact CZ-CD1 3.95Å; F161-L184 HydrophobicContact CE1-CB 3.72Å; F161-L184 HydrophobicContact CZ-CB 3.95Å; V162-L184 PolarHBondContact O-N 2.95Å; M163-L184 CarbonylContact C-O 3.54Å; M163-L184 VanDerWaalsContact CA-O 3.29Å; M163-L184 WeakPolarHBondContact CA-O 3.48Å; M163-L184 HydrophobicContact CB-CD2 4.4Å; M163-L184 HydrophobicContact CG-CB 4.43Å; M163-L184 HydrophobicContact CG-CD2 4.45Å; R164-L184 PolarHBondContact N-O 3.26Å; L184-T186 HydrophobicContact CD2-CG2 4.27Å; L184-Y217 WeakPolarHBondContact CA-O 3.45Å; L184-Y219 HydrophobicContact CD1-CD2 4.11Å; L184-Y219 HydrophobicContact CD1-CG 4.33Å; L184-Y219 HydrophobicContact CD2-CG 4.43Å; L184-L279 HydrophobicContact CD2-CD2 3.81Å
185	V	98.8	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	172	62	0	0	0	0	109.3	R164 L167 Y213 Y217 I218 Y219	R164-V185 HydrophobicContact CB-CB 4.23Å; R164-V185 HydrophobicContact CB-CG2 3.96Å; R164-V185 WeakPolarHBondContact O-CA 3.49Å; L167-V185 HydrophobicContact CD2-CG1 3.84Å; L167-V185 HydrophobicContact CD2-CG2 3.89Å; V185-Y213 HydrophobicContact CB-CD1 4.12Å; V185-Y213 HydrophobicContact CB-CE1 4.08Å; V185-Y213 HydrophobicContact CG1-CD1 3.75Å; V185-Y213 HydrophobicContact CG1-CD2 4.3Å; V185-Y213 HydrophobicContact CG1-CE1 4.02Å; V185-Y213 HydrophobicContact CG1-CG 3.9Å; V185-Y213 HydrophobicContact CG2-CD1 4.38Å; V185-Y213 HydrophobicContact CG2-CE1 3.84Å; V185-Y217 PolarHBondContact N-O 3.22Å; V185-I218 HydrophobicContact CG1-CD1 3.48Å; V185-I218 VanDerWaalsContact CG1-CD1 3.48Å; V185-I218 WeakPolarHBondContact O-CA 3.37Å; V185-Y219 PolarHBondContact O-N 2.87Å
186	T	98.8	Very high	97	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151.4	177.6	67.7	0	0	0	0	111.2	R164 N166 L167 L184 Y219 T275 L279	R164-T186 PolarHBondContact O-N 2.94Å; N166-T186 CarbonylContact C-O 3.46Å; N166-T186 WeakPolarHBondContact CA-O 3.49Å; N166-T186 PolarHBondContact N-O 2.74Å; N166-T186 PolarHBondContact N-OG1 3.32Å; N166-T186 PolarHBondContact OD1-OG1 3.03Å; L167-T186 PolarHBondContact N-O 3.3Å; L184-T186 HydrophobicContact CD2-CG2 4.27Å; T186-Y219 CarbonylContact C-O 3.45Å; T186-Y219 WeakPolarHBondContact CA-O 3.5Å; T186-Y219 HydrophobicContact CG2-CD1 3.96Å; T186-T275 HydrophobicContact CG2-CG2 3.89Å; T186-T275 WeakPolarHBondContact OG1-CG2 3.33Å; T186-L279 HydrophobicContact CG2-CD1 3.72Å; T186-L279 HydrophobicContact CG2-CD2 3.72Å; T186-L279 HydrophobicContact CG2-CG 3.95Å
187	A	98.1	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.			trans	-134.3	99.7	169.3	0	0	0	0	0	109.3	L167 I192 I218 Y219 M220	L167-A187 HydrophobicContact CD1-CB 3.63Å; L167-A187 HydrophobicContact CD2-CB 4.12Å; L167-A187 HydrophobicContact CG-CB 3.75Å; A187-I192 HydrophobicContact CB-CD1 4.41Å; A187-I218 HydrophobicContact CB-CG2 3.98Å; A187-Y219 PolarHBondContact N-O 3Å; A187-M220 HydrophobicContact CB-CE 4.05Å; A187-M220 HydrophobicContact CB-CG 4.16Å; A187-M220 HydrophobicContact CB-SD 4.49Å; A187-M220 VanDerWaalsContact O-CE 3.26Å; A187-M220 WeakPolarHBondContact O-CE 3.47Å
188	N	96.6	Very high	96.9	Very high	54 Å²	54	38 Å²	38	29%	0.289	18%	0.184	S	C	.	.			trans	-64.4	138.2	171.4	-169.7	-55.3	0	0	0	109.8	S190 I191	N188-S190 PolarHBondContact O-N 3.32Å; N188-S190 PolarHBondContact OD1-N 2.78Å; N188-S190 PolarHBondContact OD1-OG 2.95Å; N188-S190 VanDerWaalsContact OD1-OG 3.06Å; N188-I191 HydrophobicContact CB-CD1 4.03Å; N188-I191 HydrophobicContact CB-CG1 4.25Å; N188-I191 WeakPolarHBondContact O-CB 3.11Å; N188-I191 PolarHBondContact O-N 2.95Å
189	P	96.6	Very high	96.9	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-49.2	-30.8	173.7	-30.3	34.5	0	0	0	115.1	I191 I192 R193 P231	P189-I191 VanDerWaalsContact C-N 3.3Å; P189-I191 PolarHBondContact O-N 3.21Å; P189-I192 PolarHBondContact O-N 3.46Å; P189-R193 PolarHBondContact O-N 3.31Å; P189-P231 HydrophobicContact CB-CB 4.18Å; P189-P231 HydrophobicContact CB-CG 4.33Å
190	S	94.3	Very high	96.8	Very high	28 Å²	28	43 Å²	43	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-37	175	60.1	0	0	0	0	113	N188 I192 R193 Q194	N188-S190 PolarHBondContact O-N 3.32Å; N188-S190 PolarHBondContact OD1-N 2.78Å; N188-S190 PolarHBondContact OD1-OG 2.95Å; N188-S190 VanDerWaalsContact OD1-OG 3.06Å; S190-I192 VanDerWaalsContact C-N 3.33Å; S190-R193 PolarHBondContact O-N 3.01Å; S190-Q194 WeakPolarHBondContact O-CB 3.45Å; S190-Q194 VanDerWaalsContact O-CG 3.29Å; S190-Q194 WeakPolarHBondContact O-CG 3.2Å; S190-Q194 PolarHBondContact O-N 3.43Å
191	I	94.6	Very high	96.7	Very high	24 Å²	24	49.8 Å²	49.8	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-43.4	177.9	-58.1	165.2	0	0	0	109.7	N166 L167 N188 P189 R193 Q194 R195 F196	N166-I191 VanDerWaalsContact CA-CD1 3.47Å; N166-I191 HydrophobicContact CB-CD1 3.33Å; L167-I191 HydrophobicContact CD1-CG2 4.29Å; N188-I191 HydrophobicContact CB-CD1 4.03Å; N188-I191 HydrophobicContact CB-CG1 4.25Å; N188-I191 WeakPolarHBondContact O-CB 3.11Å; N188-I191 PolarHBondContact O-N 2.95Å; P189-I191 VanDerWaalsContact C-N 3.3Å; P189-I191 PolarHBondContact O-N 3.21Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 2.68Å; I191-Q194 PolarHBondContact O-N 2.97Å; I191-R195 HydrophobicContact CG2-CB 4.32Å; I191-R195 VanDerWaalsContact O-CB 3.27Å; I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 PolarHBondContact O-N 3.21Å; I191-F196 HydrophobicContact CG2-CD2 4.5Å; I191-F196 HydrophobicContact CG2-CE2 4.12Å
192	I	97.6	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.1	178.6	-52.3	-52	0	0	0	110.1	L167 A187 P189 S190 F196 Q197 N198 L199 F206 M220 P231 V235	L167-I192 HydrophobicContact CD1-CD1 4.28Å; A187-I192 HydrophobicContact CB-CD1 4.41Å; P189-I192 PolarHBondContact O-N 3.46Å; S190-I192 VanDerWaalsContact C-N 3.33Å; I192-F196 HydrophobicContact CD1-CD2 4.21Å; I192-F196 CarbonylContact O-C 3.57Å; I192-F196 VanDerWaalsContact O-C 3.3Å; I192-F196 WeakPolarHBondContact O-CA 3.16Å; I192-F196 PolarHBondContact O-N 3.5Å; I192-Q197 PolarHBondContact O-N 2.93Å; I192-N198 WeakPolarHBondContact O-CA 3.4Å; I192-N198 PolarHBondContact O-N 3.48Å; I192-L199 HydrophobicContact CG2-CD1 3.95Å; I192-L199 HydrophobicContact CG2-CG 3.8Å; I192-F206 HydrophobicContact CD1-CD2 4.47Å; I192-F206 HydrophobicContact CD1-CE2 3.97Å; I192-M220 HydrophobicContact CD1-CE 4.39Å; I192-M220 HydrophobicContact CG1-CE 3.82Å; I192-P231 HydrophobicContact CB-CB 4.32Å; I192-P231 HydrophobicContact CG2-CB 4.27Å; I192-V235 HydrophobicContact CD1-CG2 3.54Å; I192-V235 HydrophobicContact CG1-CG2 3.72Å; I192-V235 HydrophobicContact CG2-CG2 4.01Å
193	R	95.5	Very high	96.5	Very high	95 Å²	95	54.3 Å²	54.3	36%	0.358	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-50.2	176.5	-71.2	-172.6	-65.7	-123	4.6	112.9	P189 S190 I191 Q197 N198 T227 P231	P189-R193 PolarHBondContact O-N 3.31Å; S190-R193 PolarHBondContact O-N 3.01Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 2.68Å; R193-Q197 WeakPolarHBondContact O-CA 3.32Å; R193-Q197 PolarHBondContact O-N 3.19Å; R193-N198 HydrophobicContact CG-CB 4.1Å; R193-N198 WeakPolarHBondContact CG-OD1 3.47Å; R193-N198 PolarHBondContact O-N 3.36Å; R193-T227 PolarHBondContact NH1-O 2.92Å; R193-P231 HydrophobicContact CG-CG 4.3Å
194	Q	93.3	Very high	96.4	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	26%	0.264	S	S	*	.	H	α-helix	trans	-81.3	-45.7	-169.2	-68.8	172.1	-11.4	0	0	112.8	S190 I191 F318	S190-Q194 WeakPolarHBondContact O-CB 3.45Å; S190-Q194 VanDerWaalsContact O-CG 3.29Å; S190-Q194 WeakPolarHBondContact O-CG 3.2Å; S190-Q194 PolarHBondContact O-N 3.43Å; I191-Q194 PolarHBondContact O-N 2.97Å; Q194-F318 VanDerWaalsContact NE2-CZ 3.33Å
195	R	94.7	Very high	96.3	Very high	102 Å²	102	61.5 Å²	61.5	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-87.7	-29.6	-174.4	-172	175.1	174.6	-174.1	-3.2	113	L167 I191 N209	L167-R195 PolarHBondContact O-NH1 2.54Å; I191-R195 HydrophobicContact CG2-CB 4.32Å; I191-R195 VanDerWaalsContact O-CB 3.27Å; I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 PolarHBondContact O-N 3.21Å; R195-N209 PolarHBondContact NH2-OD1 3.38Å
196	F	96.9	Very high	96.2	Very high	3 Å²	3	61.5 Å²	61.5	1%	0.013	29%	0.288	C	S	.	.	S	Bend	trans	-124.3	23.5	-171.7	-53.8	-69.4	0	0	0	113.2	L167 I191 I192 N198 L199 T205 F206 N209	L167-F196 HydrophobicContact CD1-CE2 4.18Å; I191-F196 HydrophobicContact CG2-CD2 4.5Å; I191-F196 HydrophobicContact CG2-CE2 4.12Å; I192-F196 HydrophobicContact CD1-CD2 4.21Å; I192-F196 CarbonylContact O-C 3.57Å; I192-F196 VanDerWaalsContact O-C 3.3Å; I192-F196 WeakPolarHBondContact O-CA 3.16Å; I192-F196 PolarHBondContact O-N 3.5Å; F196-N198 PolarHBondContact O-N 3.16Å; F196-L199 HydrophobicContact CB-CD2 3.81Å; F196-L199 PolarHBondContact O-N 2.92Å; F196-T205 HydrophobicContact CD1-CG2 4.38Å; F196-T205 HydrophobicContact CE1-CG2 4.32Å; F196-F206 HydrophobicContact CB-CB 4.36Å; F196-F206 HydrophobicContact CD1-CB 3.83Å; F196-F206 HydrophobicContact CD1-CD2 4.25Å; F196-F206 AromaticContact CD2-CD2 3.81Å; F196-F206 HydrophobicContact CD2-CD2 3.81Å; F196-F206 HydrophobicContact CE1-CB 4.27Å; F196-F206 HydrophobicContact CE1-CD2 4.35Å; F196-F206 AromaticContact CE2-CD2 3.91Å; F196-F206 HydrophobicContact CE2-CD2 3.91Å; F196-F206 HydrophobicContact CG-CB 4.08Å; F196-F206 AromaticContact CG-CD2 3.98Å; F196-F206 HydrophobicContact CG-CD2 3.98Å; F196-F206 HydrophobicContact CG-CG 4.5Å; F196-F206 HydrophobicContact CZ-CD2 4.18Å; F196-N209 HydrophobicContact CE1-CB 4.25Å; F196-N209 HydrophobicContact CZ-CB 4.24Å
197	Q	96.4	Very high	96.2	Very high	108 Å²	108	62.7 Å²	62.7	51%	0.505	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	48.6	37.8	176.7	-57.9	78.9	29.6	0	0	113.2	I192 R193 L199 L200	I192-Q197 PolarHBondContact O-N 2.93Å; R193-Q197 WeakPolarHBondContact O-CA 3.32Å; R193-Q197 PolarHBondContact O-N 3.19Å; Q197-L199 PolarHBondContact O-N 3.16Å; Q197-L200 PolarHBondContact O-N 2.77Å
198	N	96.5	Very high	96.1	Very high	31 Å²	31	65.3 Å²	65.3	17%	0.166	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	58.9	16.8	-179.8	-155.7	21.2	0	0	0	115	I192 R193 F196 L200 P231 R234	I192-N198 WeakPolarHBondContact O-CA 3.4Å; I192-N198 PolarHBondContact O-N 3.48Å; R193-N198 HydrophobicContact CG-CB 4.1Å; R193-N198 WeakPolarHBondContact CG-OD1 3.47Å; R193-N198 PolarHBondContact O-N 3.36Å; F196-N198 PolarHBondContact O-N 3.16Å; N198-L200 HydrophobicContact CB-CD1 4.16Å; N198-L200 HydrophobicContact CB-CG 4.09Å; N198-L200 PolarHBondContact O-N 2.89Å; N198-P231 VanDerWaalsContact OD1-CB 3.27Å; N198-P231 WeakPolarHBondContact OD1-CB 3.22Å; N198-P231 VanDerWaalsContact OD1-CG 3.27Å; N198-P231 WeakPolarHBondContact OD1-CG 3.15Å; N198-R234 PolarHBondContact ND2-NH1 3.14Å; N198-R234 VanDerWaalsContact O-CD 3.29Å; N198-R234 WeakPolarHBondContact O-CD 3.4Å; N198-R234 PolarHBondContact O-NH1 2.92Å; N198-R234 PolarHBondContact OD1-NH1 3Å
199	L	97.5	Very high	96.1	Very high	4 Å²	4	65 Å²	65	2%	0.021	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	54.9	29.6	-174.7	-53.3	177.1	0	0	0	113.7	I192 F196 Q197 W201 F206 R234 V235	I192-L199 HydrophobicContact CG2-CD1 3.95Å; I192-L199 HydrophobicContact CG2-CG 3.8Å; F196-L199 HydrophobicContact CB-CD2 3.81Å; F196-L199 PolarHBondContact O-N 2.92Å; Q197-L199 PolarHBondContact O-N 3.16Å; L199-W201 VanDerWaalsContact C-N 3.33Å; L199-F206 HydrophobicContact CD1-CD1 4.13Å; L199-F206 HydrophobicContact CD1-CE1 4.31Å; L199-F206 HydrophobicContact CD1-CG 4.33Å; L199-F206 HydrophobicContact CD2-CB 3.49Å; L199-F206 VanDerWaalsContact CD2-CB 3.49Å; L199-F206 HydrophobicContact CD2-CD1 4.09Å; L199-F206 HydrophobicContact CD2-CD2 4.3Å; L199-F206 HydrophobicContact CD2-CG 3.69Å; L199-R234 HydrophobicContact CB-CB 4.27Å; L199-R234 HydrophobicContact CD1-CB 4.32Å; L199-V235 HydrophobicContact CD1-CB 4.47Å; L199-V235 HydrophobicContact CD1-CG2 3.72Å
200	L	96.6	Very high	96.1	Very high	101 Å²	101	64.8 Å²	64.8	53%	0.529	31%	0.306	S	S	.	.	S	Bend	trans	-79.6	-19.6	176.7	-67.7	173.7	0	0	0	112.7	Q197 N198	Q197-L200 PolarHBondContact O-N 2.77Å; N198-L200 HydrophobicContact CB-CD1 4.16Å; N198-L200 HydrophobicContact CB-CG 4.09Å; N198-L200 PolarHBondContact O-N 2.89Å
201	W	93.6	Very high	96.2	Very high	207 Å²	207	69.9 Å²	69.9	78%	0.784	33%	0.325	S	S	*	.	S	Bend	trans	-120.4	-139.8	-177.1	-56.1	110.3	0	0	0	110.5	L199 R203	L199-W201 VanDerWaalsContact C-N 3.33Å; W201-R203 PolarHBondContact O-N 2.84Å
202	S	95.3	Very high	96.2	Very high	81 Å²	81	72.4 Å²	72.4	57%	0.566	34%	0.338	S	S	*	.			trans	-55.4	123.3	176	-177.5	0	0	0	0	111.4	K204	S202-K204 VanDerWaalsContact C-N 3.33Å; S202-K204 PolarHBondContact OG-N 3.16Å
203	R	97.1	Very high	96.2	Very high	108 Å²	108	72.7 Å²	72.7	41%	0.408	34%	0.339	S	S	.	.			trans	-88.4	-6	176.8	-59.3	169.4	-172.6	-178.9	2	112.3	W201 T205 F206 V207 T238 D241	W201-R203 PolarHBondContact O-N 2.84Å; R203-T205 PolarHBondContact O-N 3.2Å; R203-F206 PolarHBondContact O-N 3.45Å; R203-V207 WeakPolarHBondContact O-CG2 3.25Å; R203-V207 PolarHBondContact O-N 2.04Å; R203-T238 HydrophobicContact CB-CG2 3.83Å; R203-T238 WeakPolarHBondContact CD-OG1 3.22Å; R203-T238 HydrophobicContact CG-CG2 4.11Å; R203-D241 IonicContact NH1-OD2 3.97Å; R203-D241 PolarHBondContact NH1-OD2 3.03Å
204	K	96.8	Very high	96.2	Very high	131 Å²	131	72.6 Å²	72.6	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-56.6	-50.4	-172	177.7	168.7	172.1	49.9	0	112.3	S202 F206 V207 D208	S202-K204 VanDerWaalsContact C-N 3.33Å; S202-K204 PolarHBondContact OG-N 3.16Å; K204-F206 VanDerWaalsContact C-N 3.29Å; K204-F206 PolarHBondContact O-N 3.34Å; K204-V207 PolarHBondContact O-N 3.46Å; K204-D208 VanDerWaalsContact CG-OD2 3.27Å; K204-D208 WeakPolarHBondContact CG-OD2 3.41Å; K204-D208 IonicContact NZ-OD1 3.85Å; K204-D208 IonicContact NZ-OD2 3.55Å; K204-D208 PolarHBondContact NZ-OD2 3.17Å; K204-D208 WeakPolarHBondContact O-CB 3.49Å; K204-D208 PolarHBondContact O-N 3.47Å
205	T	96.6	Very high	96.4	Very high	81 Å²	81	72.7 Å²	72.7	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-43.3	-179.6	-54.8	0	0	0	0	111.5	F196 R203 N209	F196-T205 HydrophobicContact CD1-CG2 4.38Å; F196-T205 HydrophobicContact CE1-CG2 4.32Å; R203-T205 PolarHBondContact O-N 3.2Å; T205-N209 WeakPolarHBondContact O-CB 3.39Å; T205-N209 PolarHBondContact O-N 2.82Å; T205-N209 PolarHBondContact O-ND2 3.29Å
206	F	97.8	Very high	96.5	Very high	1 Å²	1	67.8 Å²	67.8	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-51.5	177	172.9	-101.8	0	0	0	111.5	L167 I192 F196 L199 R203 K204 D208 N209 M210 V235 T238 L239	L167-F206 HydrophobicContact CD1-CE2 4.36Å; I192-F206 HydrophobicContact CD1-CD2 4.47Å; I192-F206 HydrophobicContact CD1-CE2 3.97Å; F196-F206 HydrophobicContact CB-CB 4.36Å; F196-F206 HydrophobicContact CD1-CB 3.83Å; F196-F206 HydrophobicContact CD1-CD2 4.25Å; F196-F206 AromaticContact CD2-CD2 3.81Å; F196-F206 HydrophobicContact CD2-CD2 3.81Å; F196-F206 HydrophobicContact CE1-CB 4.27Å; F196-F206 HydrophobicContact CE1-CD2 4.35Å; F196-F206 AromaticContact CE2-CD2 3.91Å; F196-F206 HydrophobicContact CE2-CD2 3.91Å; F196-F206 HydrophobicContact CG-CB 4.08Å; F196-F206 AromaticContact CG-CD2 3.98Å; F196-F206 HydrophobicContact CG-CD2 3.98Å; F196-F206 HydrophobicContact CG-CG 4.5Å; F196-F206 HydrophobicContact CZ-CD2 4.18Å; L199-F206 HydrophobicContact CD1-CD1 4.13Å; L199-F206 HydrophobicContact CD1-CE1 4.31Å; L199-F206 HydrophobicContact CD1-CG 4.33Å; L199-F206 HydrophobicContact CD2-CB 3.49Å; L199-F206 VanDerWaalsContact CD2-CB 3.49Å; L199-F206 HydrophobicContact CD2-CD1 4.09Å; L199-F206 HydrophobicContact CD2-CD2 4.3Å; L199-F206 HydrophobicContact CD2-CG 3.69Å; R203-F206 PolarHBondContact O-N 3.45Å; K204-F206 VanDerWaalsContact C-N 3.29Å; K204-F206 PolarHBondContact O-N 3.34Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 3.38Å; F206-N209 WeakPolarHBondContact O-CB 3.13Å; F206-N209 PolarHBondContact O-N 3.05Å; F206-N209 VanDerWaalsContact O-N 3.12Å; F206-M210 HydrophobicContact CD1-CG 4.38Å; F206-M210 HydrophobicContact CD2-CE 4.09Å; F206-M210 HydrophobicContact CD2-CG 4.42Å; F206-M210 HydrophobicContact CE1-CG 3.91Å; F206-M210 HydrophobicContact CE2-CE 3.75Å; F206-M210 HydrophobicContact CE2-CG 3.95Å; F206-M210 HydrophobicContact CE2-SD 3.85Å; F206-M210 HydrophobicContact CZ-CE 4.36Å; F206-M210 HydrophobicContact CZ-CG 3.66Å; F206-M210 HydrophobicContact CZ-SD 3.88Å; F206-M210 WeakPolarHBondContact O-CG 3.4Å; F206-M210 PolarHBondContact O-N 3.17Å; F206-V235 HydrophobicContact CE1-CG1 4.27Å; F206-V235 HydrophobicContact CE1-CG2 4.49Å; F206-V235 HydrophobicContact CE2-CG2 4.24Å; F206-V235 HydrophobicContact CZ-CB 4.29Å; F206-V235 HydrophobicContact CZ-CG1 3.69Å; F206-V235 HydrophobicContact CZ-CG2 3.91Å; F206-T238 HydrophobicContact CD1-CG2 3.8Å; F206-T238 HydrophobicContact CE1-CG2 4.1Å; F206-L239 HydrophobicContact CE1-CD1 4.47Å; F206-L239 HydrophobicContact CE1-CD2 3.89Å; F206-L239 HydrophobicContact CE1-CG 4.01Å; F206-L239 HydrophobicContact CZ-CD1 4.48Å; F206-L239 HydrophobicContact CZ-CG 4.5Å
207	V	97.5	Very high	96.6	Very high	29 Å²	29	70.3 Å²	70.3	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-44.6	179.7	172.5	0	0	0	0	111.5	R203 K204 N209 M210 K211 T238 V242	R203-V207 WeakPolarHBondContact O-CG2 3.25Å; R203-V207 PolarHBondContact O-N 2.04Å; K204-V207 PolarHBondContact O-N 3.46Å; V207-N209 VanDerWaalsContact C-N 3.33Å; V207-N209 PolarHBondContact O-N 2.8Å; V207-M210 PolarHBondContact O-N 2.84Å; V207-M210 VanDerWaalsContact O-N 3.08Å; V207-K211 PolarHBondContact O-N 3.41Å; V207-T238 HydrophobicContact CG2-CG2 3.76Å; V207-V242 HydrophobicContact CG1-CG2 4.11Å; V207-V242 HydrophobicContact CG2-CG1 4.29Å; V207-V242 HydrophobicContact CG2-CG2 4.2Å
208	D	96.8	Very high	96.7	Very high	55 Å²	55	65.1 Å²	65.1	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-38.9	177.2	-74.4	-31.6	0	0	0	111.6	K204 F206 M210 K211	K204-D208 VanDerWaalsContact CG-OD2 3.27Å; K204-D208 WeakPolarHBondContact CG-OD2 3.41Å; K204-D208 IonicContact NZ-OD1 3.85Å; K204-D208 IonicContact NZ-OD2 3.55Å; K204-D208 PolarHBondContact NZ-OD2 3.17Å; K204-D208 WeakPolarHBondContact O-CB 3.49Å; K204-D208 PolarHBondContact O-N 3.47Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 3.38Å; D208-M210 VanDerWaalsContact C-N 3.26Å; D208-M210 PolarHBondContact O-N 3.19Å; D208-K211 PolarHBondContact O-N 3.21Å; D208-K211 WeakPolarHBondContact OD1-CE 3.02Å; D208-K211 IonicContact OD1-NZ 2.98Å; D208-K211 PolarHBondContact OD1-NZ 2.94Å
209	N	96.1	Very high	96.8	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.251	31%	0.306	S	S	.	.	H	α-helix	trans	-67.2	-24.5	174.1	-85.6	-102.2	0	0	0	112.8	R195 F196 T205 F206 V207 I212	R195-N209 PolarHBondContact NH2-OD1 3.38Å; F196-N209 HydrophobicContact CE1-CB 4.25Å; F196-N209 HydrophobicContact CZ-CB 4.24Å; T205-N209 WeakPolarHBondContact O-CB 3.39Å; T205-N209 PolarHBondContact O-N 2.82Å; T205-N209 PolarHBondContact O-ND2 3.29Å; F206-N209 WeakPolarHBondContact O-CB 3.13Å; F206-N209 PolarHBondContact O-N 3.05Å; F206-N209 VanDerWaalsContact O-N 3.12Å; V207-N209 VanDerWaalsContact C-N 3.33Å; V207-N209 PolarHBondContact O-N 2.8Å; N209-I212 WeakPolarHBondContact O-CG1 3.1Å
210	M	97.3	Very high	96.9	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-77.1	-23.3	-179.4	-69.6	-53.3	100.6	0	0	113	L167 F206 V207 D208 I212 Y213 I218 L239 Q246	L167-M210 HydrophobicContact CD1-CE 3.79Å; L167-M210 HydrophobicContact CD1-SD 4.45Å; L167-M210 HydrophobicContact CD2-CE 3.89Å; L167-M210 HydrophobicContact CD2-SD 3.94Å; L167-M210 HydrophobicContact CG-CE 4.31Å; F206-M210 HydrophobicContact CD1-CG 4.38Å; F206-M210 HydrophobicContact CD2-CE 4.09Å; F206-M210 HydrophobicContact CD2-CG 4.42Å; F206-M210 HydrophobicContact CE1-CG 3.91Å; F206-M210 HydrophobicContact CE2-CE 3.75Å; F206-M210 HydrophobicContact CE2-CG 3.95Å; F206-M210 HydrophobicContact CE2-SD 3.85Å; F206-M210 HydrophobicContact CZ-CE 4.36Å; F206-M210 HydrophobicContact CZ-CG 3.66Å; F206-M210 HydrophobicContact CZ-SD 3.88Å; F206-M210 WeakPolarHBondContact O-CG 3.4Å; F206-M210 PolarHBondContact O-N 3.17Å; V207-M210 PolarHBondContact O-N 2.84Å; V207-M210 VanDerWaalsContact O-N 3.08Å; D208-M210 VanDerWaalsContact C-N 3.26Å; D208-M210 PolarHBondContact O-N 3.19Å; M210-I212 PolarHBondContact O-N 2.95Å; M210-I212 VanDerWaalsContact O-N 3.13Å; M210-Y213 HydrophobicContact CE-CD2 4.26Å; M210-Y213 HydrophobicContact CE-CE2 3.95Å; M210-Y213 PolarHBondContact O-N 3.18Å; M210-Y213 HydrophobicContact SD-CD2 4.04Å; M210-Y213 HydrophobicContact SD-CE2 4.27Å; M210-I218 HydrophobicContact SD-CD1 4.03Å; M210-L239 HydrophobicContact CB-CD2 4.22Å; M210-L239 HydrophobicContact CG-CD2 4Å; M210-Q246 PolarHBondContact O-NE2 3.11Å
211	K	95.8	Very high	96.9	Very high	135 Å²	135	59.9 Å²	59.9	59%	0.587	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-54.2	-36.1	-178	-68.3	175.2	176.3	165.3	0	113.4	V207 D208 Y213 N214	V207-K211 PolarHBondContact O-N 3.41Å; D208-K211 PolarHBondContact O-N 3.21Å; D208-K211 WeakPolarHBondContact OD1-CE 3.02Å; D208-K211 IonicContact OD1-NZ 2.98Å; D208-K211 PolarHBondContact OD1-NZ 2.94Å; K211-Y213 PolarHBondContact O-N 3.44Å; K211-N214 PolarHBondContact O-N 2.98Å; K211-N214 VanDerWaalsContact O-N 3.1Å
212	I	95.8	Very high	97.1	Very high	76 Å²	76	50 Å²	50	39%	0.39	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-62.6	-23.2	179.1	69.7	-177.5	0	0	0	113	L170 N209 M210 N214	L170-I212 HydrophobicContact CB-CD1 4.14Å; L170-I212 HydrophobicContact CG-CD1 4.34Å; N209-I212 WeakPolarHBondContact O-CG1 3.1Å; M210-I212 PolarHBondContact O-N 2.95Å; M210-I212 VanDerWaalsContact O-N 3.13Å; I212-N214 VanDerWaalsContact C-N 3.35Å
213	Y	96.9	Very high	97.2	Very high	6 Å²	6	46.3 Å²	46.3	2%	0.024	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-88.8	-1.8	180	-57.4	-68.9	0	0	0	113.2	L167 P168 L170 V185 M210 K211 H215 S216	L167-Y213 WeakPolarHBondContact CA-OH 3.46Å; L167-Y213 HydrophobicContact CD2-CD2 4.46Å; L167-Y213 HydrophobicContact CD2-CE2 3.91Å; L167-Y213 PolarHBondContact O-OH 2.91Å; P168-Y213 WeakPolarHBondContact CD-OH 3.35Å; P168-Y213 PolarHBondContact O-OH 3.35Å; L170-Y213 HydrophobicContact CD1-CD1 4.1Å; L170-Y213 HydrophobicContact CD1-CE1 3.75Å; L170-Y213 HydrophobicContact CG-CE1 4.39Å; V185-Y213 HydrophobicContact CB-CD1 4.12Å; V185-Y213 HydrophobicContact CB-CE1 4.08Å; V185-Y213 HydrophobicContact CG1-CD1 3.75Å; V185-Y213 HydrophobicContact CG1-CD2 4.3Å; V185-Y213 HydrophobicContact CG1-CE1 4.02Å; V185-Y213 HydrophobicContact CG1-CG 3.9Å; V185-Y213 HydrophobicContact CG2-CD1 4.38Å; V185-Y213 HydrophobicContact CG2-CE1 3.84Å; M210-Y213 HydrophobicContact CE-CD2 4.26Å; M210-Y213 HydrophobicContact CE-CE2 3.95Å; M210-Y213 PolarHBondContact O-N 3.18Å; M210-Y213 HydrophobicContact SD-CD2 4.04Å; M210-Y213 HydrophobicContact SD-CE2 4.27Å; K211-Y213 PolarHBondContact O-N 3.44Å; Y213-H215 PolarHBondContact O-N 3.27Å; Y213-S216 WeakPolarHBondContact O-CB 3.16Å; Y213-S216 PolarHBondContact O-N 3.07Å; Y213-S216 PolarHBondContact O-OG 3.44Å
214	N	95.2	Very high	97.1	Very high	93 Å²	93	41.6 Å²	41.6	50%	0.497	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-119.4	173.2	-164.3	19.6	0	0	0	113.2	K211 I212 S216 Q246	K211-N214 PolarHBondContact O-N 2.98Å; K211-N214 VanDerWaalsContact O-N 3.1Å; I212-N214 VanDerWaalsContact C-N 3.35Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 2.91Å; N214-Q246 VanDerWaalsContact O-CG 3.26Å; N214-Q246 WeakPolarHBondContact O-CG 3.26Å; N214-Q246 PolarHBondContact O-NE2 2.9Å
215	H	97	Very high	97	Very high	125 Å²	125	37.9 Å²	37.9	58%	0.579	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	24.8	179.5	-59.4	84.3	0	0	0	113.3	Y213 N245	Y213-H215 PolarHBondContact O-N 3.27Å; H215-N245 PolarHBondContact NE2-ND2 3.41Å
216	S	98.1	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.			trans	-68	156.1	-179.4	-64.7	0	0	0	0	112.5	S182 H183 Y213 N214 Q246 T247	S182-S216 VanDerWaalsContact C-OG 3.25Å; S182-S216 WeakPolarHBondContact CB-OG 3.4Å; S182-S216 PolarHBondContact O-OG 2.9Å; S182-S216 PolarHBondContact OG-OG 3.13Å; H183-S216 WeakPolarHBondContact O-CA 3.29Å; Y213-S216 WeakPolarHBondContact O-CB 3.16Å; Y213-S216 PolarHBondContact O-N 3.07Å; Y213-S216 PolarHBondContact O-OG 3.44Å; N214-S216 VanDerWaalsContact C-N 3.29Å; N214-S216 PolarHBondContact O-N 2.91Å; S216-Q246 WeakPolarHBondContact O-CA 3.49Å; S216-Q246 WeakPolarHBondContact O-CB 3.38Å; S216-T247 PolarHBondContact O-N 3.04Å
217	Y	98.7	Very high	96.7	Very high	55 Å²	55	43.9 Å²	43.9	22%	0.216	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.3	162.9	-61.3	-76.3	0	0	0	111.1	P130 F131 H183 L184 V185 T247 L249	P130-Y217 HydrophobicContact CB-CE1 4.25Å; P130-Y217 HydrophobicContact CG-CD1 4.41Å; P130-Y217 HydrophobicContact CG-CE1 3.72Å; P130-Y217 PolarHBondContact O-OH 2.76Å; F131-Y217 HydrophobicContact CD1-CE2 4.25Å; F131-Y217 AromaticContact CE1-CD2 3.76Å; F131-Y217 HydrophobicContact CE1-CD2 3.76Å; F131-Y217 AromaticContact CE1-CE2 3.64Å; F131-Y217 HydrophobicContact CE1-CE2 3.64Å; F131-Y217 HydrophobicContact CE1-CG 4.49Å; F131-Y217 HydrophobicContact CZ-CD2 4.49Å; H183-Y217 WeakPolarHBondContact O-CD2 3.25Å; H183-Y217 PolarHBondContact O-N 3.4Å; L184-Y217 WeakPolarHBondContact CA-O 3.45Å; V185-Y217 PolarHBondContact N-O 3.22Å; Y217-T247 CarbonylContact C-O 3.42Å; Y217-T247 WeakPolarHBondContact CA-O 3.49Å; Y217-T247 HydrophobicContact CD1-CG2 3.97Å; Y217-T247 HydrophobicContact CE1-CG2 4Å; Y217-L249 HydrophobicContact CD1-CD1 3.58Å; Y217-L249 HydrophobicContact CD1-CD2 4.22Å; Y217-L249 HydrophobicContact CD1-CG 3.74Å; Y217-L249 HydrophobicContact CE1-CD1 4.28Å; Y217-L249 HydrophobicContact CG-CD1 3.77Å; Y217-L249 HydrophobicContact CG-CG 4.27Å
218	I	98.6	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	106.4	168.2	-51.8	-54.2	0	0	0	108.1	L167 V185 A187 M210 M220 V235 L239 Q246 T247 V248 L249	L167-I218 HydrophobicContact CD2-CD1 4.41Å; V185-I218 HydrophobicContact CG1-CD1 3.48Å; V185-I218 VanDerWaalsContact CG1-CD1 3.48Å; V185-I218 WeakPolarHBondContact O-CA 3.37Å; A187-I218 HydrophobicContact CB-CG2 3.98Å; M210-I218 HydrophobicContact SD-CD1 4.03Å; I218-M220 HydrophobicContact CG2-CG 4.07Å; I218-V235 HydrophobicContact CG2-CG1 4.37Å; I218-L239 HydrophobicContact CG1-CD1 4.05Å; I218-Q246 HydrophobicContact CD1-CB 4.23Å; I218-Q246 HydrophobicContact CD1-CG 4.16Å; I218-Q246 HydrophobicContact CG1-CB 3.84Å; I218-Q246 HydrophobicContact CG1-CG 4.31Å; I218-T247 PolarHBondContact N-O 3.48Å; I218-V248 HydrophobicContact CB-CG2 4.27Å; I218-V248 CarbonylContact O-C 3.44Å; I218-V248 WeakPolarHBondContact O-CA 3.45Å; I218-L249 PolarHBondContact O-N 3.32Å
219	Y	98.8	Very high	96.6	Very high	4 Å²	4	41 Å²	41	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.7	-173.2	-173	-88.1	0	0	0	111.5	F92 L184 V185 T186 A187 L249 A251 F278	F92-Y219 AromaticContact CD1-CE2 3.91Å; F92-Y219 HydrophobicContact CD1-CE2 3.91Å; F92-Y219 HydrophobicContact CD2-CE2 4.28Å; F92-Y219 AromaticContact CE1-CD2 3.67Å; F92-Y219 HydrophobicContact CE1-CD2 3.67Å; F92-Y219 AromaticContact CE1-CE2 3.39Å; F92-Y219 HydrophobicContact CE1-CE2 3.39Å; F92-Y219 HydrophobicContact CE2-CD2 4.44Å; F92-Y219 AromaticContact CE2-CE2 3.82Å; F92-Y219 HydrophobicContact CE2-CE2 3.82Å; F92-Y219 AromaticContact CE2-CZ 3.87Å; F92-Y219 HydrophobicContact CG-CE2 4.32Å; F92-Y219 AromaticContact CZ-CD2 3.61Å; F92-Y219 HydrophobicContact CZ-CD2 3.61Å; F92-Y219 AromaticContact CZ-CE2 3.35Å; F92-Y219 HydrophobicContact CZ-CE2 3.35Å; F92-Y219 HydrophobicContact CZ-CG 4.32Å; F92-Y219 AromaticContact CZ-CZ 3.86Å; F92-Y219 PolarHBondContact O-OH 3.08Å; L184-Y219 HydrophobicContact CD1-CD2 4.11Å; L184-Y219 HydrophobicContact CD1-CG 4.33Å; L184-Y219 HydrophobicContact CD2-CG 4.43Å; V185-Y219 PolarHBondContact O-N 2.87Å; T186-Y219 CarbonylContact C-O 3.45Å; T186-Y219 WeakPolarHBondContact CA-O 3.5Å; T186-Y219 HydrophobicContact CG2-CD1 3.96Å; A187-Y219 PolarHBondContact N-O 3Å; Y219-L249 CarbonylContact C-O 3.48Å; Y219-L249 WeakPolarHBondContact CA-O 3.43Å; Y219-L249 HydrophobicContact CD2-CB 3.95Å; Y219-A251 HydrophobicContact CE1-CB 3.55Å; Y219-A251 HydrophobicContact CE2-CB 4.41Å; Y219-A251 VanDerWaalsContact CZ-CB 3.45Å; Y219-A251 WeakPolarHBondContact OH-CA 3.09Å; Y219-A251 WeakPolarHBondContact OH-CB 3.34Å; Y219-F278 HydrophobicContact CD1-CE1 4.34Å; Y219-F278 AromaticContact CE1-CE1 3.47Å; Y219-F278 HydrophobicContact CE1-CE1 3.47Å; Y219-F278 VanDerWaalsContact CE1-CE1 3.47Å; Y219-F278 AromaticContact CE1-CZ 3.81Å; Y219-F278 HydrophobicContact CE1-CZ 3.81Å; Y219-F278 AromaticContact CZ-CE1 3.92Å; Y219-F278 AromaticContact CZ-CZ 3.86Å; Y219-F278 VanDerWaalsContact OH-CZ 3.22Å; Y219-F278 WeakPolarHBondContact OH-CZ 3.49Å
220	M	98.4	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.8	-171.1	-62.4	-157.3	76.9	0	0	112.7	A187 I192 I218 A222 S232 V235 V248 L249 F250 A251	A187-M220 HydrophobicContact CB-CE 4.05Å; A187-M220 HydrophobicContact CB-CG 4.16Å; A187-M220 HydrophobicContact CB-SD 4.49Å; A187-M220 VanDerWaalsContact O-CE 3.26Å; A187-M220 WeakPolarHBondContact O-CE 3.47Å; I192-M220 HydrophobicContact CD1-CE 4.39Å; I192-M220 HydrophobicContact CG1-CE 3.82Å; I218-M220 HydrophobicContact CG2-CG 4.07Å; M220-A222 PolarHBondContact O-N 3.45Å; M220-S232 WeakPolarHBondContact CE-OG 3.48Å; M220-V235 HydrophobicContact CE-CB 4.24Å; M220-V235 HydrophobicContact CE-CG2 3.9Å; M220-V235 HydrophobicContact SD-CB 3.54Å; M220-V235 VanDerWaalsContact SD-CB 3.54Å; M220-V235 HydrophobicContact SD-CG1 3.53Å; M220-V235 VanDerWaalsContact SD-CG1 3.53Å; M220-V235 HydrophobicContact SD-CG2 3.86Å; M220-V248 HydrophobicContact CG-CG1 4.38Å; M220-L249 PolarHBondContact N-O 2.69Å; M220-F250 HydrophobicContact CB-CD1 4.05Å; M220-F250 HydrophobicContact CB-CE1 4.33Å; M220-F250 CarbonylContact O-C 3.53Å; M220-F250 VanDerWaalsContact O-CA 3.3Å; M220-F250 WeakPolarHBondContact O-CA 3.21Å; M220-A251 PolarHBondContact O-N 2.85Å
221	P	97.8	Very high	96.7	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	22%	0.219	C	C	.	.			trans	-79.4	56.8	172.3	34.6	-35.7	0	0	0	111.9	F223 S224 A251 L256	P221-F223 VanDerWaalsContact C-N 3.28Å; P221-F223 PolarHBondContact O-N 2.88Å; P221-S224 VanDerWaalsContact O-CB 3.25Å; P221-S224 WeakPolarHBondContact O-CB 3.27Å; P221-S224 PolarHBondContact O-N 3.27Å; P221-S224 VanDerWaalsContact O-N 3.16Å; P221-A251 HydrophobicContact CB-CB 4.2Å; P221-L256 HydrophobicContact CB-CD1 4.22Å
222	A	97.4	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-43.5	-176.5	0	0	0	0	0	112.5	M220 S224 G228 T229 S232 F250	M220-A222 PolarHBondContact O-N 3.45Å; A222-S224 VanDerWaalsContact C-N 3.31Å; A222-S224 PolarHBondContact O-N 2.85Å; A222-G228 CarbonylContact O-C 3.56Å; A222-T229 WeakPolarHBondContact O-CA 3.15Å; A222-T229 PolarHBondContact O-N 3.43Å; A222-T229 VanDerWaalsContact O-N 3.16Å; A222-T229 PolarHBondContact O-OG1 2.68Å; A222-S232 WeakPolarHBondContact CA-OG 3.08Å; A222-F250 HydrophobicContact CB-CD1 3.43Å; A222-F250 VanDerWaalsContact CB-CD1 3.43Å; A222-F250 HydrophobicContact CB-CE1 3.89Å; A222-F250 HydrophobicContact CB-CG 4.17Å
223	F	96.6	Very high	96.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	20.6	-176.1	-53.1	-66.7	0	0	0	113.3	M94 Y107 F115 T121 F125 P221 T229 F250 P253	M94-F223 HydrophobicContact CE-CD2 4.19Å; M94-F223 HydrophobicContact CE-CE2 4.35Å; M94-F223 HydrophobicContact CG-CD2 3.91Å; M94-F223 HydrophobicContact CG-CE2 4.15Å; M94-F223 HydrophobicContact SD-CD2 4.38Å; Y107-F223 VanDerWaalsContact CD1-C 3.44Å; Y107-F223 WeakPolarHBondContact CD1-O 3.32Å; F115-F223 HydrophobicContact CD1-CD1 4.35Å; F115-F223 AromaticContact CD2-CD1 3.91Å; F115-F223 HydrophobicContact CD2-CD1 3.91Å; F115-F223 HydrophobicContact CD2-CE1 4.1Å; F115-F223 HydrophobicContact CE1-CB 3.68Å; F115-F223 AromaticContact CE1-CD1 3.88Å; F115-F223 HydrophobicContact CE1-CD1 3.88Å; F115-F223 HydrophobicContact CE1-CG 4.01Å; F115-F223 HydrophobicContact CE2-CB 4.34Å; F115-F223 AromaticContact CE2-CD1 3.34Å; F115-F223 HydrophobicContact CE2-CD1 3.34Å; F115-F223 HydrophobicContact CE2-CD2 4.43Å; F115-F223 AromaticContact CE2-CE1 3.68Å; F115-F223 HydrophobicContact CE2-CE1 3.68Å; F115-F223 AromaticContact CE2-CG 3.77Å; F115-F223 HydrophobicContact CE2-CG 3.77Å; F115-F223 HydrophobicContact CE2-CZ 4.36Å; F115-F223 HydrophobicContact CG-CD1 4.38Å; F115-F223 HydrophobicContact CZ-CB 3.46Å; F115-F223 VanDerWaalsContact CZ-CB 3.46Å; F115-F223 AromaticContact CZ-CD1 3.35Å; F115-F223 HydrophobicContact CZ-CD1 3.35Å; F115-F223 HydrophobicContact CZ-CD2 4.19Å; F115-F223 HydrophobicContact CZ-CE1 4.15Å; F115-F223 AromaticContact CZ-CG 3.37Å; F115-F223 HydrophobicContact CZ-CG 3.37Å; T121-F223 HydrophobicContact CG2-CE1 4.2Å; T121-F223 HydrophobicContact CG2-CZ 3.66Å; F125-F223 AromaticContact CE1-CE2 3.84Å; F125-F223 HydrophobicContact CE1-CE2 3.84Å; F125-F223 HydrophobicContact CE1-CZ 4.22Å; F125-F223 AromaticContact CZ-CE2 3.85Å; F125-F223 HydrophobicContact CZ-CE2 3.85Å; F125-F223 HydrophobicContact CZ-CZ 4.1Å; P221-F223 VanDerWaalsContact C-N 3.28Å; P221-F223 PolarHBondContact O-N 2.88Å; F223-T229 HydrophobicContact CD1-CG2 4.42Å; F223-T229 HydrophobicContact CE1-CG2 4.01Å; F223-F250 HydrophobicContact CD2-CB 4.18Å; F223-F250 HydrophobicContact CE2-CB 3.85Å; F223-F250 HydrophobicContact CE2-CD2 4.33Å; F223-F250 HydrophobicContact CE2-CG 4.06Å; F223-P253 HydrophobicContact CB-CG 4.21Å; F223-P253 WeakPolarHBondContact O-CB 3.31Å
224	S	95.8	Very high	97	Very high	9 Å²	9	39 Å²	39	6%	0.063	19%	0.192	C	C	.	.	S	Bend	trans	-80.7	-39.2	177.4	-178	0	0	0	0	112.9	D108 G109 P221 A222 R272	D108-S224 PolarHBondContact N-O 2.94Å; D108-S224 WeakPolarHBondContact OD1-CA 3.27Å; D108-S224 WeakPolarHBondContact OD1-CB 3.08Å; D108-S224 PolarHBondContact OD1-OG 3.4Å; G109-S224 WeakPolarHBondContact CA-O 3.33Å; G109-S224 PolarHBondContact N-O 2.98Å; P221-S224 VanDerWaalsContact O-CB 3.25Å; P221-S224 WeakPolarHBondContact O-CB 3.27Å; P221-S224 PolarHBondContact O-N 3.27Å; P221-S224 VanDerWaalsContact O-N 3.16Å; A222-S224 VanDerWaalsContact C-N 3.31Å; A222-S224 PolarHBondContact O-N 2.85Å; S224-R272 PolarHBondContact OG-NH1 3.42Å; S224-R272 PolarHBondContact OG-NH2 3.1Å
225	M	94.1	Very high	97.1	Very high	54 Å²	54	34.6 Å²	34.6	27%	0.266	17%	0.168	S	C	.	.	S	Bend	trans	-142.5	147.9	174.3	-58	-175.4	78.1	0	0	107.7	E110 T227 G228	E110-M225 HydrophobicContact CG-CB 4.13Å; E110-M225 HydrophobicContact CG-CE 3.71Å; E110-M225 HydrophobicContact CG-CG 4.2Å; M225-T227 PolarHBondContact O-N 3.04Å; M225-G228 WeakPolarHBondContact O-CA 3.27Å; M225-G228 PolarHBondContact O-N 2.91Å
226	K	94.2	Very high	97.2	Very high	122 Å²	122	31.4 Å²	31.4	53%	0.53	15%	0.151	S	C	.	.	H	α-helix	trans	-55.7	-39.8	-177.4	-176.9	-179.5	177.7	-179	0	112.2	Y107 E110 Y113 G228 T229	Y107-K226 HydrophobicContact CE1-CB 4.39Å; Y107-K226 HydrophobicContact CE2-CB 4.28Å; E110-K226 WeakPolarHBondContact OE2-CB 3.47Å; E110-K226 PolarHBondContact OE2-N 3.41Å; Y113-K226 HydrophobicContact CD1-CD 4.24Å; K226-G228 PolarHBondContact O-N 3.22Å; K226-G228 VanDerWaalsContact O-N 3.17Å; K226-T229 PolarHBondContact O-N 3.46Å; K226-T229 PolarHBondContact O-OG1 2.85Å
227	T	94.1	Very high	97.2	Very high	85 Å²	85	36.2 Å²	36.2	52%	0.521	17%	0.17	S	C	.	.	H	α-helix	trans	-67.6	-12	177.7	63.5	0	0	0	0	113.7	R193 M225 P231	R193-T227 PolarHBondContact NH1-O 2.92Å; M225-T227 PolarHBondContact O-N 3.04Å; T227-P231 WeakPolarHBondContact O-CD 3.27Å
228	G	95.9	Very high	97.2	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-88.5	-18.8	178.4	0	0	0	0	0	114.4	A222 M225 K226 P231 S232	A222-G228 CarbonylContact O-C 3.56Å; M225-G228 WeakPolarHBondContact O-CA 3.27Å; M225-G228 PolarHBondContact O-N 2.91Å; K226-G228 PolarHBondContact O-N 3.22Å; K226-G228 VanDerWaalsContact O-N 3.17Å; G228-P231 WeakPolarHBondContact O-CD 3.48Å; G228-S232 WeakPolarHBondContact O-CB 3.42Å; G228-S232 PolarHBondContact O-N 3.42Å; G228-S232 PolarHBondContact O-OG 3.44Å
229	T	96.7	Very high	97.2	Very high	21 Å²	21	33.8 Å²	33.8	13%	0.129	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-59.2	-174.5	-53.4	0	0	0	0	111.5	Y107 A222 F223 K226 S232 L233	Y107-T229 PolarHBondContact OH-OG1 3.05Å; A222-T229 WeakPolarHBondContact O-CA 3.15Å; A222-T229 PolarHBondContact O-N 3.43Å; A222-T229 VanDerWaalsContact O-N 3.16Å; A222-T229 PolarHBondContact O-OG1 2.68Å; F223-T229 HydrophobicContact CD1-CG2 4.42Å; F223-T229 HydrophobicContact CE1-CG2 4.01Å; K226-T229 PolarHBondContact O-N 3.46Å; K226-T229 PolarHBondContact O-OG1 2.85Å; T229-S232 PolarHBondContact O-N 3.01Å; T229-S232 VanDerWaalsContact O-N 3.11Å; T229-L233 HydrophobicContact CG2-CD1 4.04Å; T229-L233 HydrophobicContact CG2-CG 4.36Å; T229-L233 WeakPolarHBondContact O-CG 3.48Å; T229-L233 PolarHBondContact O-N 2.7Å
230	E	96.7	Very high	97.1	Very high	122 Å²	122	37 Å²	37	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-58.6	-47.4	-176.7	-70.2	-177.2	-173.3	0	0	114.2	S232 L233 R234	E230-S232 PolarHBondContact O-N 3.28Å; E230-L233 PolarHBondContact O-N 2.98Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 3.38Å; E230-R234 IonicContact OE2-CZ 3.64Å; E230-R234 IonicContact OE2-NH2 3.71Å; E230-R234 PolarHBondContact OE2-NH2 2.95Å
231	P	97.9	Very high	97.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-35.9	176.9	-23.5	32.6	0	0	0	112.7	P189 I192 R193 N198 T227 G228 R234 V235	P189-P231 HydrophobicContact CB-CB 4.18Å; P189-P231 HydrophobicContact CB-CG 4.33Å; I192-P231 HydrophobicContact CB-CB 4.32Å; I192-P231 HydrophobicContact CG2-CB 4.27Å; R193-P231 HydrophobicContact CG-CG 4.3Å; N198-P231 VanDerWaalsContact OD1-CB 3.27Å; N198-P231 WeakPolarHBondContact OD1-CB 3.22Å; N198-P231 VanDerWaalsContact OD1-CG 3.27Å; N198-P231 WeakPolarHBondContact OD1-CG 3.15Å; T227-P231 WeakPolarHBondContact O-CD 3.27Å; G228-P231 WeakPolarHBondContact O-CD 3.48Å; P231-R234 PolarHBondContact O-N 3.41Å; P231-V235 PolarHBondContact O-N 3.4Å; P231-V235 VanDerWaalsContact O-N 3.16Å
232	S	98.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.9	-38.7	-179.5	-52.2	0	0	0	0	112.3	M220 A222 G228 T229 E230 R234 V235 Y236	M220-S232 WeakPolarHBondContact CE-OG 3.48Å; A222-S232 WeakPolarHBondContact CA-OG 3.08Å; G228-S232 WeakPolarHBondContact O-CB 3.42Å; G228-S232 PolarHBondContact O-N 3.42Å; G228-S232 PolarHBondContact O-OG 3.44Å; T229-S232 PolarHBondContact O-N 3.01Å; T229-S232 VanDerWaalsContact O-N 3.11Å; E230-S232 PolarHBondContact O-N 3.28Å; S232-R234 VanDerWaalsContact C-N 3.32Å; S232-V235 WeakPolarHBondContact O-CB 3.46Å; S232-V235 PolarHBondContact O-N 3.3Å; S232-Y236 PolarHBondContact O-N 2.97Å; S232-Y236 VanDerWaalsContact O-N 3.09Å
233	L	97.9	Very high	97.1	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.199	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-38.4	172.5	-65.9	-178.4	0	0	0	111.3	L124 T229 E230 V235 Y236 Y237 F250	L124-L233 HydrophobicContact CD1-CD2 3.43Å; L124-L233 VanDerWaalsContact CD1-CD2 3.43Å; T229-L233 HydrophobicContact CG2-CD1 4.04Å; T229-L233 HydrophobicContact CG2-CG 4.36Å; T229-L233 WeakPolarHBondContact O-CG 3.48Å; T229-L233 PolarHBondContact O-N 2.7Å; E230-L233 PolarHBondContact O-N 2.98Å; L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 PolarHBondContact O-N 3.36Å; L233-Y236 WeakPolarHBondContact O-CB 3.49Å; L233-Y236 PolarHBondContact O-N 2.91Å; L233-Y237 HydrophobicContact CB-CD2 4.41Å; L233-Y237 HydrophobicContact CB-CE2 4.27Å; L233-Y237 WeakPolarHBondContact O-CD2 3.21Å; L233-Y237 PolarHBondContact O-N 3.09Å; L233-F250 HydrophobicContact CD2-CZ 4.07Å
234	R	98.3	Very high	97.1	Very high	62 Å²	62	49.1 Å²	49.1	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-37.7	173.8	-71.5	-176.5	-165.1	121.7	13.5	112.4	N198 L199 E230 P231 S232 T238	N198-R234 PolarHBondContact ND2-NH1 3.14Å; N198-R234 VanDerWaalsContact O-CD 3.29Å; N198-R234 WeakPolarHBondContact O-CD 3.4Å; N198-R234 PolarHBondContact O-NH1 2.92Å; N198-R234 PolarHBondContact OD1-NH1 3Å; L199-R234 HydrophobicContact CB-CB 4.27Å; L199-R234 HydrophobicContact CD1-CB 4.32Å; E230-R234 WeakPolarHBondContact O-CG 3.37Å; E230-R234 PolarHBondContact O-N 3.38Å; E230-R234 IonicContact OE2-CZ 3.64Å; E230-R234 IonicContact OE2-NH2 3.71Å; E230-R234 PolarHBondContact OE2-NH2 2.95Å; P231-R234 PolarHBondContact O-N 3.41Å; S232-R234 VanDerWaalsContact C-N 3.32Å; R234-T238 WeakPolarHBondContact O-CB 3.35Å; R234-T238 PolarHBondContact O-N 2.8Å; R234-T238 PolarHBondContact O-OG1 3.06Å
235	V	98.6	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-48.7	172.9	166.2	0	0	0	0	110.9	I192 L199 F206 I218 M220 P231 S232 L233 T238 L239 V248	I192-V235 HydrophobicContact CD1-CG2 3.54Å; I192-V235 HydrophobicContact CG1-CG2 3.72Å; I192-V235 HydrophobicContact CG2-CG2 4.01Å; L199-V235 HydrophobicContact CD1-CB 4.47Å; L199-V235 HydrophobicContact CD1-CG2 3.72Å; F206-V235 HydrophobicContact CE1-CG1 4.27Å; F206-V235 HydrophobicContact CE1-CG2 4.49Å; F206-V235 HydrophobicContact CE2-CG2 4.24Å; F206-V235 HydrophobicContact CZ-CB 4.29Å; F206-V235 HydrophobicContact CZ-CG1 3.69Å; F206-V235 HydrophobicContact CZ-CG2 3.91Å; I218-V235 HydrophobicContact CG2-CG1 4.37Å; M220-V235 HydrophobicContact CE-CB 4.24Å; M220-V235 HydrophobicContact CE-CG2 3.9Å; M220-V235 HydrophobicContact SD-CB 3.54Å; M220-V235 VanDerWaalsContact SD-CB 3.54Å; M220-V235 HydrophobicContact SD-CG1 3.53Å; M220-V235 VanDerWaalsContact SD-CG1 3.53Å; M220-V235 HydrophobicContact SD-CG2 3.86Å; P231-V235 PolarHBondContact O-N 3.4Å; P231-V235 VanDerWaalsContact O-N 3.16Å; S232-V235 WeakPolarHBondContact O-CB 3.46Å; S232-V235 PolarHBondContact O-N 3.3Å; L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 PolarHBondContact O-N 3.36Å; V235-T238 PolarHBondContact O-N 3.1Å; V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.18Å; V235-V248 HydrophobicContact CG1-CG2 4.25Å
236	Y	98.5	Very high	97.3	Very high	58 Å²	58	51.4 Å²	51.4	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-54.1	-56.6	177.2	180	-77.6	0	0	0	111.6	L124 S232 L233 T238 L239 S240 V248 F250	L124-Y236 HydrophobicContact CB-CE2 4.11Å; L124-Y236 HydrophobicContact CD2-CD1 3.92Å; L124-Y236 HydrophobicContact CD2-CE1 3.48Å; L124-Y236 VanDerWaalsContact CD2-CE1 3.48Å; L124-Y236 HydrophobicContact CD2-CE2 4.17Å; L124-Y236 HydrophobicContact CD2-CG 4.48Å; S232-Y236 PolarHBondContact O-N 2.97Å; S232-Y236 VanDerWaalsContact O-N 3.09Å; L233-Y236 WeakPolarHBondContact O-CB 3.49Å; L233-Y236 PolarHBondContact O-N 2.91Å; Y236-T238 VanDerWaalsContact C-N 3.33Å; Y236-T238 PolarHBondContact O-N 3.34Å; Y236-L239 PolarHBondContact O-N 3.27Å; Y236-S240 WeakPolarHBondContact O-CB 3.13Å; Y236-S240 PolarHBondContact O-N 2.94Å; Y236-V248 HydrophobicContact CD2-CB 3.88Å; Y236-V248 HydrophobicContact CD2-CG1 4.28Å; Y236-V248 HydrophobicContact CD2-CG2 4.41Å; Y236-F250 HydrophobicContact CD2-CE2 4.19Å; Y236-F250 HydrophobicContact CD2-CZ 4.13Å; Y236-F250 HydrophobicContact CG-CZ 4.4Å
237	Y	98.2	Very high	97.5	Very high	100 Å²	100	49.1 Å²	49.1	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-38.4	-177.4	-69	-61.7	0	0	0	111.6	L233 L239 S240 D241	L233-Y237 HydrophobicContact CB-CD2 4.41Å; L233-Y237 HydrophobicContact CB-CE2 4.27Å; L233-Y237 WeakPolarHBondContact O-CD2 3.21Å; L233-Y237 PolarHBondContact O-N 3.09Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 3.26Å; Y237-S240 PolarHBondContact O-N 3.45Å; Y237-D241 VanDerWaalsContact O-CB 3.29Å; Y237-D241 WeakPolarHBondContact O-CB 3.21Å; Y237-D241 PolarHBondContact O-N 2.9Å
238	T	98.4	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-43.8	176.3	-64.2	0	0	0	0	112.5	R203 F206 V207 R234 V235 Y236 V242	R203-T238 HydrophobicContact CB-CG2 3.83Å; R203-T238 WeakPolarHBondContact CD-OG1 3.22Å; R203-T238 HydrophobicContact CG-CG2 4.11Å; F206-T238 HydrophobicContact CD1-CG2 3.8Å; F206-T238 HydrophobicContact CE1-CG2 4.1Å; V207-T238 HydrophobicContact CG2-CG2 3.76Å; R234-T238 WeakPolarHBondContact O-CB 3.35Å; R234-T238 PolarHBondContact O-N 2.8Å; R234-T238 PolarHBondContact O-OG1 3.06Å; V235-T238 PolarHBondContact O-N 3.1Å; Y236-T238 VanDerWaalsContact C-N 3.33Å; Y236-T238 PolarHBondContact O-N 3.34Å; T238-V242 WeakPolarHBondContact O-CG2 3.32Å
239	L	98.3	Very high	97.8	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-37.5	179.1	-68.2	176.5	0	0	0	112	F206 M210 I218 V235 Y236 Y237 G243 A244 Q246 V248	F206-L239 HydrophobicContact CE1-CD1 4.47Å; F206-L239 HydrophobicContact CE1-CD2 3.89Å; F206-L239 HydrophobicContact CE1-CG 4.01Å; F206-L239 HydrophobicContact CZ-CD1 4.48Å; F206-L239 HydrophobicContact CZ-CG 4.5Å; M210-L239 HydrophobicContact CB-CD2 4.22Å; M210-L239 HydrophobicContact CG-CD2 4Å; I218-L239 HydrophobicContact CG1-CD1 4.05Å; V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.18Å; Y236-L239 PolarHBondContact O-N 3.27Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 3.26Å; L239-G243 PolarHBondContact O-N 3.48Å; L239-A244 HydrophobicContact CB-CB 4Å; L239-A244 HydrophobicContact CD2-CB 3.68Å; L239-A244 HydrophobicContact CG-CB 4.43Å; L239-A244 WeakPolarHBondContact O-CB 3.36Å; L239-A244 PolarHBondContact O-N 2.93Å; L239-Q246 HydrophobicContact CD1-CB 4.36Å; L239-V248 HydrophobicContact CD1-CG2 3.8Å
240	S	97.3	Very high	97.9	Very high	72 Å²	72	44.6 Å²	44.6	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-47.6	175	-171	0	0	0	0	112	Y236 Y237 V242 G243	Y236-S240 WeakPolarHBondContact O-CB 3.13Å; Y236-S240 PolarHBondContact O-N 2.94Å; Y237-S240 PolarHBondContact O-N 3.45Å; S240-V242 PolarHBondContact O-N 3.24Å; S240-G243 PolarHBondContact O-N 3.3Å; S240-G243 VanDerWaalsContact O-N 3.08Å
241	D	97.7	Very high	97.9	Very high	108 Å²	108	38.8 Å²	38.8	58%	0.578	22%	0.221	S	C	*	.	H	α-helix	trans	-60.5	-34	-176	-69.5	-13.8	0	0	0	112.2	R203 Y237	R203-D241 IonicContact NH1-OD2 3.97Å; R203-D241 PolarHBondContact NH1-OD2 3.03Å; Y237-D241 VanDerWaalsContact O-CB 3.29Å; Y237-D241 WeakPolarHBondContact O-CB 3.21Å; Y237-D241 PolarHBondContact O-N 2.9Å
242	V	97.5	Very high	98	Very high	81 Å²	81	38.7 Å²	38.7	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	2.9	-179.4	-54	0	0	0	0	113.3	V207 T238 S240 A244	V207-V242 HydrophobicContact CG1-CG2 4.11Å; V207-V242 HydrophobicContact CG2-CG1 4.29Å; V207-V242 HydrophobicContact CG2-CG2 4.2Å; T238-V242 WeakPolarHBondContact O-CG2 3.32Å; S240-V242 PolarHBondContact O-N 3.24Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 HydrophobicContact CG2-CB 3.92Å; V242-A244 PolarHBondContact O-N 3.41Å
243	G	97.4	Very high	97.9	Very high	59 Å²	59	38.7 Å²	38.7	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	40.8	-176.8	0	0	0	0	0	113	L239 S240	L239-G243 PolarHBondContact O-N 3.48Å; S240-G243 PolarHBondContact O-N 3.3Å; S240-G243 VanDerWaalsContact O-N 3.08Å
244	A	97.3	Very high	97.9	Very high	30 Å²	30	39.3 Å²	39.3	25%	0.248	22%	0.224	C	C	.	.			trans	-70	147.7	-178.9	0	0	0	0	0	112	L239 V242 Q246	L239-A244 HydrophobicContact CB-CB 4Å; L239-A244 HydrophobicContact CD2-CB 3.68Å; L239-A244 HydrophobicContact CG-CB 4.43Å; L239-A244 WeakPolarHBondContact O-CB 3.36Å; L239-A244 PolarHBondContact O-N 2.93Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 HydrophobicContact CG2-CB 3.92Å; V242-A244 PolarHBondContact O-N 3.41Å; A244-Q246 VanDerWaalsContact C-N 3.25Å; A244-Q246 PolarHBondContact O-N 3.1Å
245	N	95.9	Very high	97.9	Very high	91 Å²	91	36.4 Å²	36.4	49%	0.487	21%	0.213	S	C	.	.	S	Bend	trans	-73.1	-15.1	-179.9	-69.5	-10.8	0	0	0	113.8	H215	H215-N245 PolarHBondContact NE2-ND2 3.41Å
246	Q	97.8	Very high	97.8	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-78.8	139.6	-178.2	-61.6	78.9	28.9	0	0	111.3	M210 N214 S216 I218 L239 A244	M210-Q246 PolarHBondContact O-NE2 3.11Å; N214-Q246 VanDerWaalsContact O-CG 3.26Å; N214-Q246 WeakPolarHBondContact O-CG 3.26Å; N214-Q246 PolarHBondContact O-NE2 2.9Å; S216-Q246 WeakPolarHBondContact O-CA 3.49Å; S216-Q246 WeakPolarHBondContact O-CB 3.38Å; I218-Q246 HydrophobicContact CD1-CB 4.23Å; I218-Q246 HydrophobicContact CD1-CG 4.16Å; I218-Q246 HydrophobicContact CG1-CB 3.84Å; I218-Q246 HydrophobicContact CG1-CG 4.31Å; L239-Q246 HydrophobicContact CD1-CB 4.36Å; A244-Q246 VanDerWaalsContact C-N 3.25Å; A244-Q246 PolarHBondContact O-N 3.1Å
247	T	97.6	Very high	97.7	Very high	73 Å²	73	37.3 Å²	37.3	45%	0.448	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.3	176	-61.6	0	0	0	0	110.4	S216 Y217 I218 L249	S216-T247 PolarHBondContact O-N 3.04Å; Y217-T247 CarbonylContact C-O 3.42Å; Y217-T247 WeakPolarHBondContact CA-O 3.49Å; Y217-T247 HydrophobicContact CD1-CG2 3.97Å; Y217-T247 HydrophobicContact CE1-CG2 4Å; I218-T247 PolarHBondContact N-O 3.48Å; T247-L249 HydrophobicContact CG2-CD2 4.49Å
248	V	98.5	Very high	97.7	Very high	10 Å²	10	34.2 Å²	34.2	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.6	177.3	-180	0	0	0	0	110.6	I218 M220 V235 Y236 L239 F250	I218-V248 HydrophobicContact CB-CG2 4.27Å; I218-V248 CarbonylContact O-C 3.44Å; I218-V248 WeakPolarHBondContact O-CA 3.45Å; M220-V248 HydrophobicContact CG-CG1 4.38Å; V235-V248 HydrophobicContact CG1-CG2 4.25Å; Y236-V248 HydrophobicContact CD2-CB 3.88Å; Y236-V248 HydrophobicContact CD2-CG1 4.28Å; Y236-V248 HydrophobicContact CD2-CG2 4.41Å; L239-V248 HydrophobicContact CD1-CG2 3.8Å; V248-F250 HydrophobicContact CG1-CD1 4.27Å; V248-F250 HydrophobicContact CG1-CE1 3.72Å; V248-F250 HydrophobicContact CG1-CE2 4.48Å; V248-F250 HydrophobicContact CG1-CZ 3.86Å
249	L	98.5	Very high	97.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.6	171.5	-61.8	-178.6	0	0	0	109.6	A93 P126 P130 F131 Y217 I218 Y219 M220 T247	A93-L249 HydrophobicContact CB-CB 4.46Å; P126-L249 HydrophobicContact CG-CD2 4.09Å; P130-L249 HydrophobicContact CG-CD1 3.93Å; P130-L249 HydrophobicContact CG-CD2 4.02Å; F131-L249 HydrophobicContact CZ-CD1 4.26Å; Y217-L249 HydrophobicContact CD1-CD1 3.58Å; Y217-L249 HydrophobicContact CD1-CD2 4.22Å; Y217-L249 HydrophobicContact CD1-CG 3.74Å; Y217-L249 HydrophobicContact CE1-CD1 4.28Å; Y217-L249 HydrophobicContact CG-CD1 3.77Å; Y217-L249 HydrophobicContact CG-CG 4.27Å; I218-L249 PolarHBondContact O-N 3.32Å; Y219-L249 CarbonylContact C-O 3.48Å; Y219-L249 WeakPolarHBondContact CA-O 3.43Å; Y219-L249 HydrophobicContact CD2-CB 3.95Å; M220-L249 PolarHBondContact N-O 2.69Å; T247-L249 HydrophobicContact CG2-CD2 4.49Å
250	F	98.6	Very high	97.6	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.8	175.6	-60.6	-60.3	0	0	0	110.9	A93 M94 L124 F125 M220 A222 F223 L233 Y236 V248	A93-F250 CarbonylContact C-O 3.32Å; A93-F250 WeakPolarHBondContact CA-O 3.33Å; M94-F250 HydrophobicContact CB-CB 4.24Å; M94-F250 HydrophobicContact CG-CB 4.07Å; M94-F250 PolarHBondContact N-O 2.84Å; L124-F250 HydrophobicContact CB-CE2 4.01Å; L124-F250 HydrophobicContact CD1-CE2 4.09Å; F125-F250 HydrophobicContact CD1-CD2 4.07Å; F125-F250 AromaticContact CE1-CD2 3.81Å; F125-F250 HydrophobicContact CE1-CD2 3.81Å; M220-F250 HydrophobicContact CB-CD1 4.05Å; M220-F250 HydrophobicContact CB-CE1 4.33Å; M220-F250 CarbonylContact O-C 3.53Å; M220-F250 VanDerWaalsContact O-CA 3.3Å; M220-F250 WeakPolarHBondContact O-CA 3.21Å; A222-F250 HydrophobicContact CB-CD1 3.43Å; A222-F250 VanDerWaalsContact CB-CD1 3.43Å; A222-F250 HydrophobicContact CB-CE1 3.89Å; A222-F250 HydrophobicContact CB-CG 4.17Å; F223-F250 HydrophobicContact CD2-CB 4.18Å; F223-F250 HydrophobicContact CE2-CB 3.85Å; F223-F250 HydrophobicContact CE2-CD2 4.33Å; F223-F250 HydrophobicContact CE2-CG 4.06Å; L233-F250 HydrophobicContact CD2-CZ 4.07Å; Y236-F250 HydrophobicContact CD2-CE2 4.19Å; Y236-F250 HydrophobicContact CD2-CZ 4.13Å; Y236-F250 HydrophobicContact CG-CZ 4.4Å; V248-F250 HydrophobicContact CG1-CD1 4.27Å; V248-F250 HydrophobicContact CG1-CE1 3.72Å; V248-F250 HydrophobicContact CG1-CE2 4.48Å; V248-F250 HydrophobicContact CG1-CZ 3.86Å
251	A	98.3	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-65	138.3	177.2	0	0	0	0	0	111.3	Y219 M220 P221 L256	Y219-A251 HydrophobicContact CE1-CB 3.55Å; Y219-A251 HydrophobicContact CE2-CB 4.41Å; Y219-A251 VanDerWaalsContact CZ-CB 3.45Å; Y219-A251 WeakPolarHBondContact OH-CA 3.09Å; Y219-A251 WeakPolarHBondContact OH-CB 3.34Å; M220-A251 PolarHBondContact O-N 2.85Å; P221-A251 HydrophobicContact CB-CB 4.2Å; A251-L256 HydrophobicContact CB-CD1 3.97Å; A251-L256 HydrophobicContact CB-CG 4.39Å
252	N	98.3	Very high	97.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-74.6	125.2	171.2	-162.7	-55.5	0	0	0	110.3	L91 F92 M94 N98 N254 F255 L256	L91-N252 WeakPolarHBondContact O-CB 3.27Å; F92-N252 PolarHBondContact O-N 2.66Å; M94-N252 HydrophobicContact SD-CB 4.14Å; N98-N252 PolarHBondContact OD1-ND2 2.95Å; N252-N254 PolarHBondContact O-N 2.96Å; N252-N254 WeakPolarHBondContact OD1-CB 3.24Å; N252-N254 PolarHBondContact OD1-N 3.08Å; N252-F255 HydrophobicContact CB-CB 4.2Å; N252-F255 PolarHBondContact O-N 3.44Å; N252-F255 VanDerWaalsContact O-N 3.16Å; N252-L256 PolarHBondContact O-N 2.83Å
253	P	97.5	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-23.7	-179.8	27.3	-34	0	0	0	113.2	M94 M105 W106 D108 F115 F223 R257	M94-P253 VanDerWaalsContact SD-CD 3.53Å; M105-P253 HydrophobicContact CE-CG 3.98Å; W106-P253 WeakPolarHBondContact O-CB 3.32Å; D108-P253 HydrophobicContact CB-CB 4.29Å; D108-P253 WeakPolarHBondContact CB-O 3.14Å; F115-P253 HydrophobicContact CE1-CG 4.49Å; F115-P253 HydrophobicContact CZ-CG 4.46Å; F223-P253 HydrophobicContact CB-CG 4.21Å; F223-P253 WeakPolarHBondContact O-CB 3.31Å; P253-R257 VanDerWaalsContact O-CB 3.3Å; P253-R257 WeakPolarHBondContact O-CB 3.29Å; P253-R257 PolarHBondContact O-N 2.51Å
254	N	97.2	Very high	97.6	Very high	51 Å²	51	31.4 Å²	31.4	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-69.7	-38.6	174	-67.8	-23.7	0	0	0	111.2	N252 R257 S258	N252-N254 PolarHBondContact O-N 2.96Å; N252-N254 WeakPolarHBondContact OD1-CB 3.24Å; N252-N254 PolarHBondContact OD1-N 3.08Å; N254-R257 WeakPolarHBondContact O-CB 3.33Å; N254-R257 PolarHBondContact O-N 3.45Å; N254-S258 WeakPolarHBondContact O-CB 3.19Å; N254-S258 PolarHBondContact O-N 2.79Å; N254-S258 PolarHBondContact O-OG 3.4Å
255	F	98.1	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-46.6	175.1	-178.1	-126.8	0	0	0	111.8	C86 P88 L91 F92 N252 R257 S258 I259 F278 A282	C86-F255 HydrophobicContact CB-CD2 3.94Å; C86-F255 HydrophobicContact CB-CE2 3.81Å; C86-F255 VanDerWaalsContact O-CD2 3.27Å; C86-F255 WeakPolarHBondContact O-CD2 3.11Å; P88-F255 HydrophobicContact CB-CE2 3.78Å; P88-F255 HydrophobicContact CB-CZ 3.84Å; P88-F255 HydrophobicContact CG-CE2 4.5Å; L91-F255 HydrophobicContact CB-CB 3.93Å; L91-F255 HydrophobicContact CB-CG 4.49Å; L91-F255 WeakPolarHBondContact O-CB 3.37Å; F92-F255 HydrophobicContact CD2-CD1 4.39Å; F92-F255 AromaticContact CD2-CE1 3.87Å; F92-F255 HydrophobicContact CD2-CE1 3.87Å; N252-F255 HydrophobicContact CB-CB 4.2Å; N252-F255 PolarHBondContact O-N 3.44Å; N252-F255 VanDerWaalsContact O-N 3.16Å; F255-R257 VanDerWaalsContact C-N 3.26Å; F255-R257 PolarHBondContact O-N 3.33Å; F255-S258 PolarHBondContact O-N 3.5Å; F255-I259 HydrophobicContact CD2-CD1 4.45Å; F255-I259 HydrophobicContact CD2-CG1 3.78Å; F255-I259 HydrophobicContact CE1-CG1 4.38Å; F255-I259 HydrophobicContact CE2-CD1 3.68Å; F255-I259 HydrophobicContact CE2-CG1 3.39Å; F255-I259 HydrophobicContact CG-CG1 4.42Å; F255-I259 HydrophobicContact CZ-CD1 4.02Å; F255-I259 HydrophobicContact CZ-CG1 3.71Å; F255-I259 WeakPolarHBondContact O-CB 3.45Å; F255-I259 WeakPolarHBondContact O-CG1 3.43Å; F255-I259 PolarHBondContact O-N 3.31Å; F255-F278 AromaticContact CD1-CE2 3.44Å; F255-F278 HydrophobicContact CD1-CE2 3.44Å; F255-F278 VanDerWaalsContact CD1-CE2 3.44Å; F255-F278 AromaticContact CD1-CZ 3.72Å; F255-F278 HydrophobicContact CD1-CZ 3.72Å; F255-F278 HydrophobicContact CE1-CD2 4.33Å; F255-F278 AromaticContact CE1-CE2 3.33Å; F255-F278 HydrophobicContact CE1-CE2 3.33Å; F255-F278 AromaticContact CE1-CZ 3.53Å; F255-F278 HydrophobicContact CE1-CZ 3.53Å; F255-F278 HydrophobicContact CZ-CE2 4.38Å; F255-A282 HydrophobicContact CE1-CB 4.08Å; F255-A282 HydrophobicContact CZ-CB 4.09Å
256	L	97.5	Very high	97.6	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-44.1	174.2	-71.2	168.8	0	0	0	111.7	D108 P221 A251 N252 G260 F278	D108-L256 HydrophobicContact CB-CB 4.13Å; P221-L256 HydrophobicContact CB-CD1 4.22Å; A251-L256 HydrophobicContact CB-CD1 3.97Å; A251-L256 HydrophobicContact CB-CG 4.39Å; N252-L256 PolarHBondContact O-N 2.83Å; L256-G260 PolarHBondContact O-N 3.33Å; L256-F278 HydrophobicContact CD2-CD2 3.52Å; L256-F278 HydrophobicContact CD2-CE2 3.46Å; L256-F278 VanDerWaalsContact CD2-CE2 3.46Å; L256-F278 HydrophobicContact CD2-CG 4.24Å; L256-F278 HydrophobicContact CD2-CZ 4.16Å; L256-F278 HydrophobicContact CG-CE2 4.24Å
257	R	96.8	Very high	97.3	Very high	56 Å²	56	34.2 Å²	34.2	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-47.8	178.2	-170.7	-173.1	-46.4	-134.9	-10.4	112.7	W106 Y107 D108 P253 N254 F255 G260 K261	W106-R257 VanDerWaalsContact CB-NH2 3.25Å; W106-R257 PolarHBondContact O-NH2 3.23Å; Y107-R257 PolarHBondContact O-NH2 3.29Å; D108-R257 HydrophobicContact CB-CB 4.13Å; P253-R257 VanDerWaalsContact O-CB 3.3Å; P253-R257 WeakPolarHBondContact O-CB 3.29Å; P253-R257 PolarHBondContact O-N 2.51Å; N254-R257 WeakPolarHBondContact O-CB 3.33Å; N254-R257 PolarHBondContact O-N 3.45Å; F255-R257 VanDerWaalsContact C-N 3.26Å; F255-R257 PolarHBondContact O-N 3.33Å; R257-G260 PolarHBondContact O-N 3.22Å; R257-K261 WeakPolarHBondContact O-CG 3.43Å; R257-K261 PolarHBondContact O-N 2.84Å
258	S	97.8	Very high	97.2	Very high	35 Å²	35	30.8 Å²	30.8	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-44.7	-178.3	-67.7	0	0	0	0	111.4	C85 C86 N254 F255 G260 K261 F262	C85-S258 WeakPolarHBondContact O-CB 3.44Å; C86-S258 VanDerWaalsContact SG-C 3.58Å; N254-S258 WeakPolarHBondContact O-CB 3.19Å; N254-S258 PolarHBondContact O-N 2.79Å; N254-S258 PolarHBondContact O-OG 3.4Å; F255-S258 PolarHBondContact O-N 3.5Å; S258-G260 VanDerWaalsContact C-N 3.34Å; S258-G260 PolarHBondContact O-N 3.06Å; S258-K261 PolarHBondContact O-N 3.38Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3Å
259	I	97.9	Very high	97	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-40.9	175	-66.3	-70.2	0	0	0	110.8	M82 C86 F255 K261 F262 W263 L273	M82-I259 HydrophobicContact SD-CD1 4Å; C86-I259 HydrophobicContact CB-CD1 3.64Å; C86-I259 HydrophobicContact CB-CG1 4Å; C86-I259 WeakPolarHBondContact SG-CD1 3.11Å; F255-I259 HydrophobicContact CD2-CD1 4.45Å; F255-I259 HydrophobicContact CD2-CG1 3.78Å; F255-I259 HydrophobicContact CE1-CG1 4.38Å; F255-I259 HydrophobicContact CE2-CD1 3.68Å; F255-I259 HydrophobicContact CE2-CG1 3.39Å; F255-I259 HydrophobicContact CG-CG1 4.42Å; F255-I259 HydrophobicContact CZ-CD1 4.02Å; F255-I259 HydrophobicContact CZ-CG1 3.71Å; F255-I259 WeakPolarHBondContact O-CB 3.45Å; F255-I259 WeakPolarHBondContact O-CG1 3.43Å; F255-I259 PolarHBondContact O-N 3.31Å; I259-K261 PolarHBondContact O-N 3.04Å; I259-F262 WeakPolarHBondContact O-CB 3.42Å; I259-F262 PolarHBondContact O-N 3.28Å; I259-W263 VanDerWaalsContact O-CD1 3.27Å; I259-W263 PolarHBondContact O-N 3.16Å; I259-L273 HydrophobicContact CG2-CD1 3.68Å
260	G	97.1	Very high	96.7	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	19%	0.189	C	C	.	.	H	α-helix	trans	-54.3	-49.3	171.6	0	0	0	0	0	112.8	L256 R257 S258 K264	L256-G260 PolarHBondContact O-N 3.33Å; R257-G260 PolarHBondContact O-N 3.22Å; S258-G260 VanDerWaalsContact C-N 3.34Å; S258-G260 PolarHBondContact O-N 3.06Å; G260-K264 WeakPolarHBondContact O-CB 3.39Å; G260-K264 WeakPolarHBondContact O-CG 3.4Å; G260-K264 PolarHBondContact O-N 2.94Å
261	K	97.1	Very high	96.4	Very high	142 Å²	142	42.9 Å²	42.9	62%	0.617	22%	0.216	S	C	*	.	H	α-helix	trans	-64.2	-44.2	176.7	-72.9	179.5	176.5	-175.4	0	112.1	R257 S258 I259 W263 K264 S265	R257-K261 WeakPolarHBondContact O-CG 3.43Å; R257-K261 PolarHBondContact O-N 2.84Å; S258-K261 PolarHBondContact O-N 3.38Å; I259-K261 PolarHBondContact O-N 3.04Å; K261-W263 VanDerWaalsContact C-N 3.32Å; K261-W263 PolarHBondContact O-N 2.98Å; K261-K264 PolarHBondContact O-N 3Å; K261-S265 PolarHBondContact O-N 2.68Å; K261-S265 PolarHBondContact O-OG 3.43Å
262	F	98.1	Very high	96.1	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-54.6	-48.7	179.7	175.9	-87.7	0	0	0	111.6	F78 Q81 M82 C85 S258 I259 S265 R266	F78-F262 HydrophobicContact CE2-CE1 4.46Å; F78-F262 HydrophobicContact CE2-CZ 4.11Å; F78-F262 AromaticContact CZ-CE1 3.84Å; F78-F262 HydrophobicContact CZ-CE1 3.84Å; F78-F262 AromaticContact CZ-CZ 3.8Å; F78-F262 HydrophobicContact CZ-CZ 3.8Å; Q81-F262 HydrophobicContact CB-CE2 4.14Å; Q81-F262 HydrophobicContact CB-CZ 4.48Å; M82-F262 HydrophobicContact CE-CD1 3.73Å; M82-F262 HydrophobicContact CE-CD2 3.84Å; M82-F262 HydrophobicContact CE-CE1 3.3Å; M82-F262 HydrophobicContact CE-CE2 3.39Å; M82-F262 HydrophobicContact CE-CG 3.99Å; M82-F262 HydrophobicContact CE-CZ 3.11Å; C85-F262 HydrophobicContact CB-CD2 3.85Å; C85-F262 VanDerWaalsContact SG-CD2 3.55Å; S258-F262 WeakPolarHBondContact O-CB 3.47Å; S258-F262 PolarHBondContact O-N 3Å; I259-F262 WeakPolarHBondContact O-CB 3.42Å; I259-F262 PolarHBondContact O-N 3.28Å; F262-S265 PolarHBondContact O-OG 3.06Å; F262-R266 VanDerWaalsContact CD2-NH1 3.3Å; F262-R266 VanDerWaalsContact CE2-NH1 3.3Å; F262-R266 PolarHBondContact O-NH1 2.95Å
263	W	97.9	Very high	95.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-76.9	-36	-178.7	-76.4	117.7	0	0	0	113.6	F78 I259 K261 S265 R266 I268 L273 L277 S281 Q330 L334	F78-W263 HydrophobicContact CE1-CZ2 4.49Å; F78-W263 AromaticContact CZ-CH2 3.73Å; F78-W263 HydrophobicContact CZ-CH2 3.73Å; F78-W263 AromaticContact CZ-CZ2 3.99Å; F78-W263 HydrophobicContact CZ-CZ2 3.99Å; I259-W263 VanDerWaalsContact O-CD1 3.27Å; I259-W263 PolarHBondContact O-N 3.16Å; K261-W263 VanDerWaalsContact C-N 3.32Å; K261-W263 PolarHBondContact O-N 2.98Å; W263-S265 VanDerWaalsContact C-N 3.27Å; W263-S265 PolarHBondContact O-N 2.77Å; W263-R266 HydrophobicContact CE3-CB 4.4Å; W263-R266 CarbonylContact O-C 3.58Å; W263-R266 WeakPolarHBondContact O-CA 3.27Å; W263-R266 PolarHBondContact O-N 3.26Å; W263-I268 HydrophobicContact CB-CB 4.44Å; W263-I268 HydrophobicContact CB-CD1 3.76Å; W263-I268 HydrophobicContact CD2-CD1 4.07Å; W263-I268 HydrophobicContact CE3-CD1 3.85Å; W263-I268 HydrophobicContact CG-CD1 4.07Å; W263-I268 PolarHBondContact O-N 2.95Å; W263-L273 HydrophobicContact CB-CD1 4.05Å; W263-L273 HydrophobicContact CB-CD2 3.83Å; W263-L273 HydrophobicContact CG-CD1 4.11Å; W263-L273 HydrophobicContact CG-CD2 4.49Å; W263-L277 HydrophobicContact CB-CD2 4.46Å; W263-L277 HydrophobicContact CD2-CD1 4.29Å; W263-L277 HydrophobicContact CD2-CD2 4.12Å; W263-L277 HydrophobicContact CD2-CG 4.49Å; W263-L277 HydrophobicContact CG-CD2 3.94Å; W263-L277 HydrophobicContact CG-CG 4.47Å; W263-L277 HydrophobicContact CH2-CD1 4.42Å; W263-L277 HydrophobicContact CZ2-CD1 3.81Å; W263-S281 PolarHBondContact NE1-OG 3.05Å; W263-Q330 HydrophobicContact CE3-CB 4.19Å; W263-Q330 HydrophobicContact CE3-CG 4.15Å; W263-Q330 HydrophobicContact CH2-CB 4.34Å; W263-Q330 HydrophobicContact CZ3-CB 3.65Å; W263-Q330 HydrophobicContact CZ3-CG 4.01Å; W263-L334 HydrophobicContact CH2-CD1 4.05Å
264	K	96.5	Very high	95.9	Very high	96 Å²	96	47 Å²	47	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-38.8	172.6	-75.9	176.8	-179.8	-169.9	0	112.1	G260 K261 R266 G267 I268 A270 K271	G260-K264 WeakPolarHBondContact O-CB 3.39Å; G260-K264 WeakPolarHBondContact O-CG 3.4Å; G260-K264 PolarHBondContact O-N 2.94Å; K261-K264 PolarHBondContact O-N 3Å; K264-R266 PolarHBondContact O-N 3.36Å; K264-R266 VanDerWaalsContact O-N 3.16Å; K264-G267 PolarHBondContact O-N 3.13Å; K264-I268 WeakPolarHBondContact CA-O 3.16Å; K264-I268 WeakPolarHBondContact CG-O 3.45Å; K264-A270 WeakPolarHBondContact CE-O 3.4Å; K264-A270 PolarHBondContact NZ-O 2.87Å; K264-K271 PolarHBondContact NZ-O 3.31Å; K264-K271 VanDerWaalsContact NZ-O 3.16Å
265	S	96.4	Very high	95.9	Very high	88 Å²	88	46 Å²	46	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.6	174.1	72.7	0	0	0	0	114.3	K261 F262 W263	K261-S265 PolarHBondContact O-N 2.68Å; K261-S265 PolarHBondContact O-OG 3.43Å; F262-S265 PolarHBondContact O-OG 3.06Å; W263-S265 VanDerWaalsContact C-N 3.27Å; W263-S265 PolarHBondContact O-N 2.77Å
266	R	95.2	Very high	95.9	Very high	85 Å²	85	46.4 Å²	46.4	32%	0.321	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	25.3	-179.6	-70.5	170.3	174.6	67.4	-0.1	112.3	F262 W263 K264 Q330	F262-R266 VanDerWaalsContact CD2-NH1 3.3Å; F262-R266 VanDerWaalsContact CE2-NH1 3.3Å; F262-R266 PolarHBondContact O-NH1 2.95Å; W263-R266 HydrophobicContact CE3-CB 4.4Å; W263-R266 CarbonylContact O-C 3.58Å; W263-R266 WeakPolarHBondContact O-CA 3.27Å; W263-R266 PolarHBondContact O-N 3.26Å; K264-R266 PolarHBondContact O-N 3.36Å; K264-R266 VanDerWaalsContact O-N 3.16Å; R266-Q330 PolarHBondContact O-NE2 3.42Å
267	G	92.2	Very high	96	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	19.9	171.8	0	0	0	0	0	115	K264 H269	K264-G267 PolarHBondContact O-N 3.13Å; G267-H269 PolarHBondContact O-CE1 3.28Å; G267-H269 VanDerWaalsContact O-CE1 3.29Å; G267-H269 PolarHBondContact O-ND1 3.37Å
268	I	95.4	Very high	96.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.223	C	C	.	.			trans	-91.3	111.6	167.7	-66.6	172.7	0	0	0	109.6	W263 K264 A270 L273 L277 E326 E327 Q330	W263-I268 HydrophobicContact CB-CB 4.44Å; W263-I268 HydrophobicContact CB-CD1 3.76Å; W263-I268 HydrophobicContact CD2-CD1 4.07Å; W263-I268 HydrophobicContact CE3-CD1 3.85Å; W263-I268 HydrophobicContact CG-CD1 4.07Å; W263-I268 PolarHBondContact O-N 2.95Å; K264-I268 WeakPolarHBondContact CA-O 3.16Å; K264-I268 WeakPolarHBondContact CG-O 3.45Å; I268-A270 VanDerWaalsContact C-N 3.35Å; I268-A270 HydrophobicContact CG2-CB 3.86Å; I268-A270 PolarHBondContact O-N 3.16Å; I268-L273 HydrophobicContact CG2-CD2 3.83Å; I268-L277 HydrophobicContact CD1-CD2 3.47Å; I268-L277 VanDerWaalsContact CD1-CD2 3.47Å; I268-E326 WeakPolarHBondContact CA-OE2 3.36Å; I268-E326 HydrophobicContact CG1-CB 4.28Å; I268-E327 HydrophobicContact CD1-CG 4.1Å; I268-E327 HydrophobicContact CG2-CG 4.43Å; I268-Q330 HydrophobicContact CD1-CB 4.4Å; I268-Q330 HydrophobicContact CD1-CG 3.77Å; I268-Q330 HydrophobicContact CG1-CG 3.96Å
269	H	94.3	Very high	96.1	Very high	125 Å²	125	41.8 Å²	41.8	58%	0.579	21%	0.211	S	C	*	.			trans	-98.7	42.1	-178.6	-51.2	95.8	0	0	0	111.8	G267 E326	G267-H269 PolarHBondContact O-CE1 3.28Å; G267-H269 VanDerWaalsContact O-CE1 3.29Å; G267-H269 PolarHBondContact O-ND1 3.37Å; H269-E326 IonicContact CG-OE1 3.19Å; H269-E326 PolarHBondContact N-OE2 2.93Å; H269-E326 IonicContact ND1-OE1 2.93Å; H269-E326 PolarHBondContact ND1-OE1 3.34Å; H269-E326 VanDerWaalsContact ND1-OE1 3.14Å; H269-E326 IonicContact ND1-OE2 3.6Å
270	A	92.3	Very high	96.2	Very high	9 Å²	9	41.7 Å²	41.7	7%	0.074	21%	0.211	C	C	.	.			trans	-91.5	149.7	175.6	0	0	0	0	0	111.9	K264 I268 R272 A323	K264-A270 WeakPolarHBondContact CE-O 3.4Å; K264-A270 PolarHBondContact NZ-O 2.87Å; I268-A270 VanDerWaalsContact C-N 3.35Å; I268-A270 HydrophobicContact CG2-CB 3.86Å; I268-A270 PolarHBondContact O-N 3.16Å; A270-R272 VanDerWaalsContact C-N 3.28Å; A270-R272 WeakPolarHBondContact CB-O 3.41Å; A270-R272 PolarHBondContact O-N 3.46Å; A270-A323 HydrophobicContact CB-CB 3.76Å
271	K	91.6	Very high	96.2	Very high	135 Å²	135	41.1 Å²	41.1	59%	0.587	21%	0.205	S	C	*	.	S	Bend	trans	-58.8	-47.2	165.4	-174.4	176.9	-179.9	174.9	0	109.6	K264 F321	K264-K271 PolarHBondContact NZ-O 3.31Å; K264-K271 VanDerWaalsContact NZ-O 3.16Å; K271-F321 HydrophobicContact CD-CE1 4.48Å; K271-F321 PolarHBondContact N-O 2.93Å
272	R	92	Very high	96.3	Very high	48 Å²	48	34.3 Å²	34.3	18%	0.181	18%	0.175	C	C	.	.	S	Bend	trans	-139.6	147.3	177.7	-61.8	-165.6	63.1	115.7	22.9	111.1	D108 S224 A270 F321 H322	D108-R272 VanDerWaalsContact CG-NH2 3.34Å; D108-R272 IonicContact OD1-CZ 3.49Å; D108-R272 IonicContact OD1-NH1 3.84Å; D108-R272 IonicContact OD1-NH2 3.99Å; D108-R272 PolarHBondContact OD1-NH2 3.42Å; D108-R272 IonicContact OD2-CZ 3.14Å; D108-R272 IonicContact OD2-NH1 3.93Å; D108-R272 IonicContact OD2-NH2 3.89Å; D108-R272 PolarHBondContact OD2-NH2 3.28Å; S224-R272 PolarHBondContact OG-NH1 3.42Å; S224-R272 PolarHBondContact OG-NH2 3.1Å; A270-R272 VanDerWaalsContact C-N 3.28Å; A270-R272 WeakPolarHBondContact CB-O 3.41Å; A270-R272 PolarHBondContact O-N 3.46Å; R272-F321 PolarHBondContact N-O 3.33Å; R272-H322 PolarHBondContact O-ND1 3.12Å
273	L	95.8	Very high	96.3	Very high	26 Å²	26	33.8 Å²	33.8	14%	0.136	17%	0.173	C	C	.	.			trans	-68.3	151.1	171	-51.7	-179	0	0	0	111	I259 W263 I268 L277 H322 E327	I259-L273 HydrophobicContact CG2-CD1 3.68Å; W263-L273 HydrophobicContact CB-CD1 4.05Å; W263-L273 HydrophobicContact CB-CD2 3.83Å; W263-L273 HydrophobicContact CG-CD1 4.11Å; W263-L273 HydrophobicContact CG-CD2 4.49Å; I268-L273 HydrophobicContact CG2-CD2 3.83Å; L273-L277 HydrophobicContact CB-CD2 4.46Å; L273-L277 HydrophobicContact CD1-CD2 4.33Å; L273-L277 HydrophobicContact CD2-CD2 3.98Å; L273-L277 HydrophobicContact CG-CD2 4.48Å; L273-H322 PolarHBondContact O-CE1 3.28Å; L273-H322 VanDerWaalsContact O-CE1 3.23Å; L273-H322 PolarHBondContact O-ND1 3.47Å; L273-E327 WeakPolarHBondContact CA-OE1 3.25Å
274	S	97.3	Very high	96.3	Very high	15 Å²	15	34 Å²	34	11%	0.105	17%	0.174	C	C	.	.			trans	-65.4	157.8	169.6	78.7	0	0	0	0	111.6	G276 L277 F278 H322 E327	S274-G276 PolarHBondContact O-N 3.26Å; S274-G276 PolarHBondContact OG-N 2.75Å; S274-L277 PolarHBondContact O-N 2.98Å; S274-L277 PolarHBondContact OG-N 3.09Å; S274-L277 VanDerWaalsContact OG-N 3.08Å; S274-F278 WeakPolarHBondContact O-CB 3.5Å; S274-F278 PolarHBondContact O-N 3.21Å; S274-F278 VanDerWaalsContact O-N 3.11Å; S274-H322 PolarHBondContact N-ND1 3.16Å; S274-E327 WeakPolarHBondContact CB-OE2 3.49Å; S274-E327 PolarHBondContact N-OE1 2.91Å; S274-E327 PolarHBondContact OG-OE2 3.47Å
275	T	97.6	Very high	96.4	Very high	29 Å²	29	30 Å²	30	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-35.5	170.2	-55.6	0	0	0	0	111.9	C165 N166 T186 F278 L279	C165-T275 HydrophobicContact CB-CG2 4.29Å; N166-T275 PolarHBondContact ND2-OG1 3.4Å; T186-T275 HydrophobicContact CG2-CG2 3.89Å; T186-T275 WeakPolarHBondContact OG1-CG2 3.33Å; T275-F278 WeakPolarHBondContact O-CB 3.48Å; T275-F278 PolarHBondContact O-N 3.43Å; T275-L279 WeakPolarHBondContact O-CG 3.41Å; T275-L279 PolarHBondContact O-N 2.83Å
276	G	98.2	Very high	96.5	Very high	8 Å²	8	25.9 Å²	25.9	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-55.7	178.5	0	0	0	0	0	111.5	S274 F278 L279 V280	S274-G276 PolarHBondContact O-N 3.26Å; S274-G276 PolarHBondContact OG-N 2.75Å; G276-F278 VanDerWaalsContact C-N 3.26Å; G276-F278 PolarHBondContact O-N 3.42Å; G276-L279 PolarHBondContact O-N 3.17Å; G276-L279 VanDerWaalsContact O-N 3.14Å; G276-V280 WeakPolarHBondContact O-CG2 3.4Å; G276-V280 PolarHBondContact O-N 3.25Å
277	L	98.4	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-36.9	-180	-179	60.4	0	0	0	111.9	W263 I268 L273 S274 V280 S281 E327 L331	W263-L277 HydrophobicContact CB-CD2 4.46Å; W263-L277 HydrophobicContact CD2-CD1 4.29Å; W263-L277 HydrophobicContact CD2-CD2 4.12Å; W263-L277 HydrophobicContact CD2-CG 4.49Å; W263-L277 HydrophobicContact CG-CD2 3.94Å; W263-L277 HydrophobicContact CG-CG 4.47Å; W263-L277 HydrophobicContact CH2-CD1 4.42Å; W263-L277 HydrophobicContact CZ2-CD1 3.81Å; I268-L277 HydrophobicContact CD1-CD2 3.47Å; I268-L277 VanDerWaalsContact CD1-CD2 3.47Å; L273-L277 HydrophobicContact CB-CD2 4.46Å; L273-L277 HydrophobicContact CD1-CD2 4.33Å; L273-L277 HydrophobicContact CD2-CD2 3.98Å; L273-L277 HydrophobicContact CG-CD2 4.48Å; S274-L277 PolarHBondContact O-N 2.98Å; S274-L277 PolarHBondContact OG-N 3.09Å; S274-L277 VanDerWaalsContact OG-N 3.08Å; L277-V280 PolarHBondContact O-N 3.05Å; L277-S281 WeakPolarHBondContact O-CB 3.39Å; L277-S281 PolarHBondContact O-N 3.49Å; L277-S281 PolarHBondContact O-OG 3.48Å; L277-E327 HydrophobicContact CB-CB 4.48Å; L277-E327 HydrophobicContact CB-CG 4.44Å; L277-E327 WeakPolarHBondContact CB-OE2 3.3Å; L277-E327 HydrophobicContact CD2-CB 3.92Å; L277-E327 HydrophobicContact CD2-CG 3.58Å; L277-L331 HydrophobicContact CD1-CD1 4.44Å; L277-L331 HydrophobicContact CD1-CD2 3.83Å; L277-L331 HydrophobicContact CD1-CG 4.12Å
278	F	98.4	Very high	96.9	Very high	16 Å²	16	24.5 Å²	24.5	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-52.6	172.1	169.1	-96.1	0	0	0	112.2	F92 Y219 F255 L256 S274 T275 G276 V280 S281 A282	F92-F278 HydrophobicContact CD2-CZ 4.47Å; F92-F278 HydrophobicContact CE2-CE1 4.28Å; F92-F278 HydrophobicContact CE2-CZ 4.26Å; Y219-F278 HydrophobicContact CD1-CE1 4.34Å; Y219-F278 AromaticContact CE1-CE1 3.47Å; Y219-F278 HydrophobicContact CE1-CE1 3.47Å; Y219-F278 VanDerWaalsContact CE1-CE1 3.47Å; Y219-F278 AromaticContact CE1-CZ 3.81Å; Y219-F278 HydrophobicContact CE1-CZ 3.81Å; Y219-F278 AromaticContact CZ-CE1 3.92Å; Y219-F278 AromaticContact CZ-CZ 3.86Å; Y219-F278 VanDerWaalsContact OH-CZ 3.22Å; Y219-F278 WeakPolarHBondContact OH-CZ 3.49Å; F255-F278 AromaticContact CD1-CE2 3.44Å; F255-F278 HydrophobicContact CD1-CE2 3.44Å; F255-F278 VanDerWaalsContact CD1-CE2 3.44Å; F255-F278 AromaticContact CD1-CZ 3.72Å; F255-F278 HydrophobicContact CD1-CZ 3.72Å; F255-F278 HydrophobicContact CE1-CD2 4.33Å; F255-F278 AromaticContact CE1-CE2 3.33Å; F255-F278 HydrophobicContact CE1-CE2 3.33Å; F255-F278 AromaticContact CE1-CZ 3.53Å; F255-F278 HydrophobicContact CE1-CZ 3.53Å; F255-F278 HydrophobicContact CZ-CE2 4.38Å; L256-F278 HydrophobicContact CD2-CD2 3.52Å; L256-F278 HydrophobicContact CD2-CE2 3.46Å; L256-F278 VanDerWaalsContact CD2-CE2 3.46Å; L256-F278 HydrophobicContact CD2-CG 4.24Å; L256-F278 HydrophobicContact CD2-CZ 4.16Å; L256-F278 HydrophobicContact CG-CE2 4.24Å; S274-F278 WeakPolarHBondContact O-CB 3.5Å; S274-F278 PolarHBondContact O-N 3.21Å; S274-F278 VanDerWaalsContact O-N 3.11Å; T275-F278 WeakPolarHBondContact O-CB 3.48Å; T275-F278 PolarHBondContact O-N 3.43Å; G276-F278 VanDerWaalsContact C-N 3.26Å; G276-F278 PolarHBondContact O-N 3.42Å; F278-V280 PolarHBondContact O-N 2.84Å; F278-S281 WeakPolarHBondContact O-CB 3.4Å; F278-S281 PolarHBondContact O-N 2.94Å; F278-A282 PolarHBondContact O-N 3.04Å
279	L	98.8	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-37.9	-179.8	-73.3	-178.5	0	0	0	112.7	V140 M163 L184 T186 T275 G276 S281 A282 A283	V140-L279 HydrophobicContact CG1-CB 3.77Å; V140-L279 HydrophobicContact CG1-CD1 4.45Å; M163-L279 HydrophobicContact CB-CD1 4.25Å; L184-L279 HydrophobicContact CD2-CD2 3.81Å; T186-L279 HydrophobicContact CG2-CD1 3.72Å; T186-L279 HydrophobicContact CG2-CD2 3.72Å; T186-L279 HydrophobicContact CG2-CG 3.95Å; T275-L279 WeakPolarHBondContact O-CG 3.41Å; T275-L279 PolarHBondContact O-N 2.83Å; G276-L279 PolarHBondContact O-N 3.17Å; G276-L279 VanDerWaalsContact O-N 3.14Å; L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 2.84Å; L279-A282 PolarHBondContact O-N 2.73Å; L279-A283 WeakPolarHBondContact O-CB 3.41Å; L279-A283 PolarHBondContact O-N 3.42Å
280	V	98.9	Very high	97.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-40.8	174.7	175.7	0	0	0	0	110.7	V140 G276 L277 F278 A283 L284 I292 F295 L331 L340	V140-V280 HydrophobicContact CB-CG2 4.17Å; V140-V280 HydrophobicContact CG1-CG2 3.93Å; V140-V280 HydrophobicContact CG2-CG2 4.44Å; G276-V280 WeakPolarHBondContact O-CG2 3.4Å; G276-V280 PolarHBondContact O-N 3.25Å; L277-V280 PolarHBondContact O-N 3.05Å; F278-V280 PolarHBondContact O-N 2.84Å; V280-A283 PolarHBondContact O-N 3.1Å; V280-L284 HydrophobicContact CG1-CD1 3.83Å; V280-L284 HydrophobicContact CG1-CG 4.31Å; V280-L284 WeakPolarHBondContact O-CB 3.4Å; V280-L284 VanDerWaalsContact O-CG 3.27Å; V280-L284 WeakPolarHBondContact O-CG 3.35Å; V280-L284 PolarHBondContact O-N 3.23Å; V280-I292 HydrophobicContact CG1-CG2 4.15Å; V280-I292 HydrophobicContact CG2-CB 4.45Å; V280-I292 HydrophobicContact CG2-CG2 3.72Å; V280-F295 HydrophobicContact CG2-CD1 4.48Å; V280-F295 HydrophobicContact CG2-CE1 3.58Å; V280-F295 HydrophobicContact CG2-CE2 4.05Å; V280-F295 HydrophobicContact CG2-CZ 3.34Å; V280-L331 HydrophobicContact CB-CD2 4.15Å; V280-L331 HydrophobicContact CG1-CD2 3.57Å; V280-L331 HydrophobicContact CG2-CD2 4.43Å; V280-L340 HydrophobicContact CG1-CD2 3.89Å
281	S	98.6	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-41.5	178	-47.4	0	0	0	0	112.1	W263 L277 F278 L279 L284 G285	W263-S281 PolarHBondContact NE1-OG 3.05Å; L277-S281 WeakPolarHBondContact O-CB 3.39Å; L277-S281 PolarHBondContact O-N 3.49Å; L277-S281 PolarHBondContact O-OG 3.48Å; F278-S281 WeakPolarHBondContact O-CB 3.4Å; F278-S281 PolarHBondContact O-N 2.94Å; L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 2.84Å; S281-L284 PolarHBondContact O-N 3.37Å; S281-G285 PolarHBondContact O-N 2.64Å
282	A	98.4	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-47.7	172.3	0	0	0	0	0	111.3	F92 F255 F278 L279 L284 G285 L286	F92-A282 HydrophobicContact CD2-CB 3.68Å; F92-A282 HydrophobicContact CE2-CB 3.59Å; F255-A282 HydrophobicContact CE1-CB 4.08Å; F255-A282 HydrophobicContact CZ-CB 4.09Å; F278-A282 PolarHBondContact O-N 3.04Å; L279-A282 PolarHBondContact O-N 2.73Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.17Å; A282-G285 PolarHBondContact O-N 2.87Å; A282-G285 VanDerWaalsContact O-N 3.13Å; A282-L286 HydrophobicContact CB-CD1 4.34Å; A282-L286 WeakPolarHBondContact O-CB 3.47Å; A282-L286 WeakPolarHBondContact O-CG 3.5Å; A282-L286 PolarHBondContact O-N 3.18Å
283	A	98.7	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-40.1	178.6	0	0	0	0	0	112.4	V140 M163 L279 V280 G285 L286 C287 V290	V140-A283 HydrophobicContact CG2-CB 3.58Å; M163-A283 HydrophobicContact CE-CB 4.17Å; M163-A283 HydrophobicContact SD-CB 4.01Å; L279-A283 WeakPolarHBondContact O-CB 3.41Å; L279-A283 PolarHBondContact O-N 3.42Å; V280-A283 PolarHBondContact O-N 3.1Å; A283-G285 PolarHBondContact O-N 3.29Å; A283-L286 PolarHBondContact O-N 3.14Å; A283-C287 WeakPolarHBondContact O-CA 3.33Å; A283-C287 WeakPolarHBondContact O-CB 3.34Å; A283-C287 PolarHBondContact O-N 2.68Å; A283-C287 PolarHBondContact O-SG 2.93Å; A283-C287 VanDerWaalsContact O-SG 3.38Å; A283-V290 HydrophobicContact CB-CG1 4.08Å; A283-V290 HydrophobicContact CB-CG2 3.97Å; A283-V290 WeakPolarHBondContact O-CG2 3.26Å
284	L	98.5	Very high	98.3	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-30.9	177.2	-75.5	165	0	0	0	113.1	F78 M82 V280 S281 A282 V290 L334 L340	F78-L284 HydrophobicContact CD1-CB 4.18Å; F78-L284 HydrophobicContact CD1-CD1 3.79Å; F78-L284 HydrophobicContact CD1-CD2 4.32Å; F78-L284 HydrophobicContact CD1-CG 4.32Å; F78-L284 HydrophobicContact CE1-CB 4.4Å; F78-L284 HydrophobicContact CE1-CD1 3.52Å; F78-L284 HydrophobicContact CE1-CG 4.46Å; F78-L284 HydrophobicContact CZ-CD1 4.49Å; M82-L284 HydrophobicContact CG-CB 4.1Å; V280-L284 HydrophobicContact CG1-CD1 3.83Å; V280-L284 HydrophobicContact CG1-CG 4.31Å; V280-L284 WeakPolarHBondContact O-CB 3.4Å; V280-L284 VanDerWaalsContact O-CG 3.27Å; V280-L284 WeakPolarHBondContact O-CG 3.35Å; V280-L284 PolarHBondContact O-N 3.23Å; S281-L284 PolarHBondContact O-N 3.37Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.17Å; L284-V290 HydrophobicContact CD2-CB 4.38Å; L284-V290 HydrophobicContact CD2-CG2 4.18Å; L284-V290 HydrophobicContact CG-CG2 4.45Å; L284-L334 HydrophobicContact CD1-CD1 3.74Å; L284-L340 HydrophobicContact CD1-CD2 4.1Å; L284-L340 HydrophobicContact CD2-CB 4.24Å; L284-L340 HydrophobicContact CD2-CD2 4.26Å
285	G	97.6	Very high	98.3	Very high	11 Å²	11	13.5 Å²	13.5	11%	0.113	7%	0.074	C	C	.	.	H	α-helix	trans	-88.5	-23.7	175.5	0	0	0	0	0	115.2	S281 A282 A283	S281-G285 PolarHBondContact O-N 2.64Å; A282-G285 PolarHBondContact O-N 2.87Å; A282-G285 VanDerWaalsContact O-N 3.13Å; A283-G285 PolarHBondContact O-N 3.29Å
286	L	97.9	Very high	98.3	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-101.9	-22.5	-175.1	-63.3	173	0	0	0	113.7	P88 F92 F131 L133 L135 A282 A283	P88-L286 HydrophobicContact CB-CD2 4.09Å; P88-L286 HydrophobicContact CB-CG 4.15Å; F92-L286 HydrophobicContact CB-CD1 4.43Å; F92-L286 HydrophobicContact CD1-CD1 4.48Å; F92-L286 HydrophobicContact CD2-CD1 4.14Å; F92-L286 HydrophobicContact CG-CD1 4.11Å; F131-L286 HydrophobicContact CD2-CD1 4.37Å; F131-L286 HydrophobicContact CE2-CD1 4.34Å; L133-L286 HydrophobicContact CD1-CD2 3.7Å; L133-L286 HydrophobicContact CD2-CB 4.14Å; L133-L286 HydrophobicContact CD2-CD2 3.82Å; L133-L286 HydrophobicContact CG-CD2 4.44Å; L135-L286 HydrophobicContact CD1-CB 4.3Å; L135-L286 PolarHBondContact N-O 2.84Å; A282-L286 HydrophobicContact CB-CD1 4.34Å; A282-L286 WeakPolarHBondContact O-CB 3.47Å; A282-L286 WeakPolarHBondContact O-CG 3.5Å; A282-L286 PolarHBondContact O-N 3.18Å; A283-L286 PolarHBondContact O-N 3.14Å
287	C	98.4	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.4	-169.5	-50.5	0	0	0	0	112.9	R79 L135 C138 A283 V290	R79-C287 VanDerWaalsContact CZ-O 3.25Å; R79-C287 PolarHBondContact NE-O 3.43Å; R79-C287 PolarHBondContact NH2-O 3.41Å; L135-C287 HydrophobicContact CB-CB 4.26Å; L135-C287 CarbonylContact O-C 3.6Å; L135-C287 WeakPolarHBondContact O-CA 3.27Å; C138-C287 HydrophobicContact CB-CB 3.61Å; C138-C287 WeakPolarHBondContact CB-SG 3.35Å; C138-C287 WeakPolarHBondContact SG-CB 3.44Å; C138-C287 CovalentContact SG-SG 2.02Å; C138-C287 PolarHBondContact SG-SG 3.16Å; A283-C287 WeakPolarHBondContact O-CA 3.33Å; A283-C287 WeakPolarHBondContact O-CB 3.34Å; A283-C287 PolarHBondContact O-N 2.68Å; A283-C287 PolarHBondContact O-SG 2.93Å; A283-C287 VanDerWaalsContact O-SG 3.38Å; C287-V290 HydrophobicContact CB-CG2 3.99Å
288	E	97.3	Very high	98	Very high	81 Å²	81	14 Å²	14	38%	0.379	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-45	172.8	-70.8	-173.1	171.2	0	0	111.7	R70 R79 P134 L135 K136	R70-E288 PolarHBondContact NH2-O 3.19Å; R79-E288 PolarHBondContact NH2-O 2.93Å; P134-E288 HydrophobicContact CB-CG 4.1Å; P134-E288 HydrophobicContact CG-CG 4.14Å; L135-E288 PolarHBondContact O-N 3.34Å; K136-E288 PolarHBondContact O-N 3.41Å
289	E	98.1	Very high	97.9	Very high	79 Å²	79	16.4 Å²	16.4	37%	0.369	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135	-178.7	-74	178.9	-144.5	0	0	110.9	R70 K136 K137 C138	R70-E289 IonicContact CZ-OE1 2.67Å; R70-E289 IonicContact NH1-OE1 2.85Å; R70-E289 PolarHBondContact NH1-OE1 2.83Å; R70-E289 VanDerWaalsContact NH2-CG 3.3Å; K136-E289 PolarHBondContact O-N 3.44Å; K136-E289 VanDerWaalsContact O-N 3.08Å; K137-E289 HydrophobicContact CB-CB 4.49Å; K137-E289 HydrophobicContact CG-CB 4.37Å; C138-E289 PolarHBondContact N-O 2.91Å
290	V	98.7	Very high	97.7	Very high	12 Å²	12	17.4 Å²	17.4	7%	0.073	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.1	179.3	-176.9	0	0	0	0	109.6	V140 A283 L284 C287 I292 L340 R341	V140-V290 HydrophobicContact CG2-CG1 4.34Å; A283-V290 HydrophobicContact CB-CG1 4.08Å; A283-V290 HydrophobicContact CB-CG2 3.97Å; A283-V290 WeakPolarHBondContact O-CG2 3.26Å; L284-V290 HydrophobicContact CD2-CB 4.38Å; L284-V290 HydrophobicContact CD2-CG2 4.18Å; L284-V290 HydrophobicContact CG-CG2 4.45Å; C287-V290 HydrophobicContact CB-CG2 3.99Å; V290-I292 HydrophobicContact CG1-CG2 3.79Å; V290-L340 HydrophobicContact CB-CB 4.25Å; V290-L340 HydrophobicContact CG1-CB 4.44Å; V290-R341 PolarHBondContact O-N 2.78Å
291	A	98.7	Very high	97.4	Very high	10 Å²	10	18.6 Å²	18.6	8%	0.083	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	164.6	0	0	0	0	0	109.3	C138 A139 V140 Y293 R341	C138-A291 PolarHBondContact O-N 3.26Å; A139-A291 CarbonylContact C-O 3.3Å; A139-A291 VanDerWaalsContact CA-O 3.31Å; A139-A291 WeakPolarHBondContact CA-O 3.47Å; V140-A291 PolarHBondContact N-O 2.83Å; A291-Y293 HydrophobicContact CB-CE2 3.69Å; A291-R341 CarbonylContact C-O 3.48Å; A291-R341 VanDerWaalsContact CA-O 3.29Å; A291-R341 WeakPolarHBondContact CA-O 3.26Å; A291-R341 HydrophobicContact CB-CB 4.41Å
292	I	98.8	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.9	-179.3	72.9	174.9	0	0	0	110	V140 V280 V290 F295 L331 L340 R341 M342 Q343	V140-I292 HydrophobicContact CB-CG2 4.17Å; V140-I292 CarbonylContact O-C 3.47Å; V140-I292 VanDerWaalsContact O-CA 3.32Å; V140-I292 WeakPolarHBondContact O-CA 3.42Å; V280-I292 HydrophobicContact CG1-CG2 4.15Å; V280-I292 HydrophobicContact CG2-CB 4.45Å; V280-I292 HydrophobicContact CG2-CG2 3.72Å; V290-I292 HydrophobicContact CG1-CG2 3.79Å; I292-F295 HydrophobicContact CB-CD2 3.67Å; I292-F295 HydrophobicContact CB-CE2 3.8Å; I292-F295 HydrophobicContact CB-CG 4.45Å; I292-F295 HydrophobicContact CD1-CB 4.17Å; I292-F295 HydrophobicContact CD1-CD2 4.08Å; I292-F295 HydrophobicContact CD1-CG 3.99Å; I292-F295 HydrophobicContact CG1-CD2 4.02Å; I292-F295 HydrophobicContact CG1-CG 4.4Å; I292-F295 HydrophobicContact CG2-CE2 4.5Å; I292-L331 HydrophobicContact CD1-CB 4.14Å; I292-L331 HydrophobicContact CD1-CD1 4.09Å; I292-L331 HydrophobicContact CD1-CD2 4.33Å; I292-L331 HydrophobicContact CD1-CG 4.43Å; I292-L340 HydrophobicContact CD1-CD1 3.71Å; I292-L340 HydrophobicContact CG1-CD1 3.98Å; I292-R341 PolarHBondContact N-O 2.92Å; I292-M342 HydrophobicContact CD1-CB 4.06Å; I292-M342 HydrophobicContact CD1-CE 3.72Å; I292-M342 HydrophobicContact CD1-CG 3.95Å; I292-M342 HydrophobicContact CG1-CB 3.84Å; I292-M342 HydrophobicContact CG1-CG 3.83Å; I292-Q343 PolarHBondContact O-N 2.93Å
293	Y	98.8	Very high	96.7	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.7	-173.6	-60.8	-96.3	0	0	0	109.4	A139 V140 G142 C152 Q155 I156 A291 F295 Q343	A139-Y293 HydrophobicContact CB-CD2 4.28Å; A139-Y293 HydrophobicContact CB-CE2 3.92Å; V140-Y293 PolarHBondContact O-N 3.42Å; G142-Y293 PolarHBondContact N-O 2.89Å; C152-Y293 HydrophobicContact CB-CD1 4.16Å; C152-Y293 HydrophobicContact CB-CE1 4.31Å; Q155-Y293 WeakPolarHBondContact CG-OH 3.39Å; Q155-Y293 PolarHBondContact NE2-OH 3.39Å; I156-Y293 HydrophobicContact CD1-CD1 4.06Å; I156-Y293 HydrophobicContact CD1-CD2 4.43Å; I156-Y293 HydrophobicContact CD1-CG 3.99Å; I156-Y293 HydrophobicContact CG1-CD1 3.82Å; I156-Y293 HydrophobicContact CG1-CD2 3.82Å; I156-Y293 HydrophobicContact CG1-CE1 3.9Å; I156-Y293 HydrophobicContact CG1-CE2 3.89Å; I156-Y293 HydrophobicContact CG1-CG 3.79Å; A291-Y293 HydrophobicContact CB-CE2 3.69Å; Y293-F295 VanDerWaalsContact C-N 3.3Å; Y293-F295 WeakPolarHBondContact O-CD2 3.44Å; Y293-F295 PolarHBondContact O-N 2.97Å; Y293-Q343 HydrophobicContact CD1-CB 3.5Å; Y293-Q343 VanDerWaalsContact CD1-CB 3.5Å; Y293-Q343 HydrophobicContact CD1-CG 3.8Å; Y293-Q343 HydrophobicContact CE1-CB 3.54Å; Y293-Q343 HydrophobicContact CE1-CG 3.7Å; Y293-Q343 HydrophobicContact CG-CB 4.3Å
294	G	98.1	Very high	96.3	Very high	4 Å²	4	30.7 Å²	30.7	4%	0.041	16%	0.161	C	C	.	.	S	Bend	trans	72.4	20.1	177	0	0	0	0	0	115.1	G144 W296	G144-G294 WeakPolarHBondContact CA-O 3.33Å; G144-G294 PolarHBondContact N-O 2.87Å; G294-W296 PolarHBondContact O-N 3.12Å
295	F	98.1	Very high	96	Very high	21 Å²	21	35.6 Å²	35.6	9%	0.092	18%	0.184	C	C	.	.			trans	-91.9	72.7	174.6	-75.3	-97.9	0	0	0	110	V140 V280 I292 Y293 F328 L331	V140-F295 HydrophobicContact CB-CE2 4.37Å; V140-F295 HydrophobicContact CG1-CE2 4.05Å; V140-F295 HydrophobicContact CG1-CZ 3.83Å; V280-F295 HydrophobicContact CG2-CD1 4.48Å; V280-F295 HydrophobicContact CG2-CE1 3.58Å; V280-F295 HydrophobicContact CG2-CE2 4.05Å; V280-F295 HydrophobicContact CG2-CZ 3.34Å; I292-F295 HydrophobicContact CB-CD2 3.67Å; I292-F295 HydrophobicContact CB-CE2 3.8Å; I292-F295 HydrophobicContact CB-CG 4.45Å; I292-F295 HydrophobicContact CD1-CB 4.17Å; I292-F295 HydrophobicContact CD1-CD2 4.08Å; I292-F295 HydrophobicContact CD1-CG 3.99Å; I292-F295 HydrophobicContact CG1-CD2 4.02Å; I292-F295 HydrophobicContact CG1-CG 4.4Å; I292-F295 HydrophobicContact CG2-CE2 4.5Å; Y293-F295 VanDerWaalsContact C-N 3.3Å; Y293-F295 WeakPolarHBondContact O-CD2 3.44Å; Y293-F295 PolarHBondContact O-N 2.97Å; F295-F328 VanDerWaalsContact O-CD2 3.25Å; F295-F328 WeakPolarHBondContact O-CD2 3.24Å; F295-F328 WeakPolarHBondContact O-CE2 3.19Å; F295-L331 HydrophobicContact CB-CD1 4.42Å; F295-L331 HydrophobicContact CD1-CD1 3.4Å; F295-L331 HydrophobicContact CE1-CD1 3.94Å; F295-L331 HydrophobicContact CG-CD1 4.14Å
296	W	97.1	Very high	96	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.027	22%	0.215	C	C	.	.			trans	-142.5	97.8	-179.6	-177.5	-95.5	0	0	0	109.3	I57 V58 V61 I146 G294 F298 V300 M302 I307 F328 L344	I57-W296 HydrophobicContact CG2-CH2 3.98Å; I57-W296 HydrophobicContact CG2-CZ3 4.05Å; V58-W296 HydrophobicContact CG2-CH2 3.72Å; V58-W296 HydrophobicContact CG2-CZ2 3.75Å; V61-W296 HydrophobicContact CG2-CZ3 4.22Å; I146-W296 HydrophobicContact CB-CB 3.82Å; I146-W296 HydrophobicContact CB-CG 4.04Å; I146-W296 HydrophobicContact CG1-CB 4.34Å; I146-W296 HydrophobicContact CG1-CG 4.29Å; I146-W296 HydrophobicContact CG2-CB 3.57Å; I146-W296 HydrophobicContact CG2-CG 4.33Å; G294-W296 PolarHBondContact O-N 3.12Å; W296-F298 VanDerWaalsContact C-N 3.25Å; W296-F298 AromaticContact CD2-CD2 3.7Å; W296-F298 HydrophobicContact CD2-CD2 3.7Å; W296-F298 AromaticContact CE2-CD2 3.61Å; W296-F298 AromaticContact CE3-CD2 3.78Å; W296-F298 HydrophobicContact CE3-CD2 3.78Å; W296-F298 HydrophobicContact CE3-CE2 4.19Å; W296-F298 HydrophobicContact CG-CD2 4.35Å; W296-F298 AromaticContact CH2-CD2 3.78Å; W296-F298 HydrophobicContact CH2-CD2 3.78Å; W296-F298 HydrophobicContact CH2-CE2 4.34Å; W296-F298 HydrophobicContact CZ2-CB 4Å; W296-F298 AromaticContact CZ2-CD2 3.69Å; W296-F298 HydrophobicContact CZ2-CD2 3.69Å; W296-F298 HydrophobicContact CZ2-CG 4.24Å; W296-F298 AromaticContact CZ3-CD2 3.8Å; W296-F298 HydrophobicContact CZ3-CD2 3.8Å; W296-F298 HydrophobicContact CZ3-CE2 4.08Å; W296-F298 PolarHBondContact O-N 2.68Å; W296-V300 VanDerWaalsContact CE2-O 3.25Å; W296-V300 WeakPolarHBondContact CZ2-O 3.31Å; W296-V300 PolarHBondContact NE1-O 3.18Å; W296-M302 HydrophobicContact CD2-CE 4.23Å; W296-M302 HydrophobicContact CE3-CE 3.7Å; W296-M302 HydrophobicContact CH2-CE 3.49Å; W296-M302 VanDerWaalsContact CH2-CE 3.49Å; W296-M302 HydrophobicContact CH2-SD 4.13Å; W296-M302 HydrophobicContact CZ2-CE 4.04Å; W296-M302 HydrophobicContact CZ3-CE 3.31Å; W296-M302 HydrophobicContact CZ3-SD 4.44Å; W296-I307 VanDerWaalsContact CD1-CD1 3.5Å; W296-F328 HydrophobicContact CE3-CD2 4.48Å; W296-F328 AromaticContact CE3-CE2 3.67Å; W296-F328 HydrophobicContact CE3-CE2 3.67Å; W296-F328 AromaticContact CE3-CZ 3.88Å; W296-F328 HydrophobicContact CE3-CZ 3.88Å; W296-F328 HydrophobicContact CZ3-CE1 4.43Å; W296-F328 AromaticContact CZ3-CE2 4Å; W296-F328 HydrophobicContact CZ3-CE2 4Å; W296-F328 AromaticContact CZ3-CZ 3.69Å; W296-F328 HydrophobicContact CZ3-CZ 3.69Å; W296-L344 HydrophobicContact CE3-CD1 4.43Å; W296-L344 HydrophobicContact CE3-CD2 4.1Å; W296-L344 HydrophobicContact CZ3-CD1 4.49Å
297	P	95.8	Very high	95.9	Very high	26 Å²	26	42.5 Å²	42.5	17%	0.169	22%	0.224	C	C	.	.			trans	-88.8	16.9	-172.6	37.6	-38.7	0	0	0	113.6	M324 F328	P297-M324 HydrophobicContact CB-CB 3.56Å; P297-M324 HydrophobicContact CB-CE 4.43Å; P297-M324 HydrophobicContact CG-CB 4.19Å; P297-F328 HydrophobicContact CG-CB 3.85Å; P297-F328 HydrophobicContact CG-CG 4.44Å
298	F	95.5	Very high	95.8	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.057	23%	0.234	C	C	.	.	S	Bend	trans	-106.3	157.7	-173.4	-51.4	-69.8	0	0	0	111.8	E54 I57 W296 V300 P325 F328	E54-F298 HydrophobicContact CB-CD1 4.5Å; E54-F298 HydrophobicContact CG-CB 4.18Å; E54-F298 HydrophobicContact CG-CD1 3.82Å; E54-F298 HydrophobicContact CG-CG 4.34Å; E54-F298 VanDerWaalsContact OE1-CA 3.26Å; E54-F298 WeakPolarHBondContact OE1-CA 3.2Å; E54-F298 WeakPolarHBondContact OE1-CB 3.35Å; I57-F298 HydrophobicContact CB-CE2 4.36Å; I57-F298 HydrophobicContact CB-CZ 4.28Å; I57-F298 HydrophobicContact CD1-CZ 4.34Å; I57-F298 HydrophobicContact CG1-CE1 4.18Å; I57-F298 HydrophobicContact CG1-CE2 4.43Å; I57-F298 HydrophobicContact CG1-CZ 3.86Å; I57-F298 HydrophobicContact CG2-CD2 4.17Å; I57-F298 HydrophobicContact CG2-CE2 3.55Å; I57-F298 HydrophobicContact CG2-CZ 3.85Å; W296-F298 VanDerWaalsContact C-N 3.25Å; W296-F298 AromaticContact CD2-CD2 3.7Å; W296-F298 HydrophobicContact CD2-CD2 3.7Å; W296-F298 AromaticContact CE2-CD2 3.61Å; W296-F298 AromaticContact CE3-CD2 3.78Å; W296-F298 HydrophobicContact CE3-CD2 3.78Å; W296-F298 HydrophobicContact CE3-CE2 4.19Å; W296-F298 HydrophobicContact CG-CD2 4.35Å; W296-F298 AromaticContact CH2-CD2 3.78Å; W296-F298 HydrophobicContact CH2-CD2 3.78Å; W296-F298 HydrophobicContact CH2-CE2 4.34Å; W296-F298 HydrophobicContact CZ2-CB 4Å; W296-F298 AromaticContact CZ2-CD2 3.69Å; W296-F298 HydrophobicContact CZ2-CD2 3.69Å; W296-F298 HydrophobicContact CZ2-CG 4.24Å; W296-F298 AromaticContact CZ3-CD2 3.8Å; W296-F298 HydrophobicContact CZ3-CD2 3.8Å; W296-F298 HydrophobicContact CZ3-CE2 4.08Å; W296-F298 PolarHBondContact O-N 2.68Å; F298-V300 VanDerWaalsContact C-N 3.32Å; F298-V300 PolarHBondContact O-N 2.87Å; F298-P325 HydrophobicContact CE1-CB 4.03Å; F298-P325 HydrophobicContact CE1-CG 4.3Å; F298-P325 HydrophobicContact CZ-CB 4.42Å; F298-F328 HydrophobicContact CE2-CB 4.35Å; F298-F328 AromaticContact CE2-CD1 3.57Å; F298-F328 HydrophobicContact CE2-CD1 3.57Å; F298-F328 HydrophobicContact CE2-CD2 4.14Å; F298-F328 AromaticContact CE2-CE1 3.86Å; F298-F328 HydrophobicContact CE2-CE1 3.86Å; F298-F328 HydrophobicContact CE2-CE2 4.37Å; F298-F328 AromaticContact CE2-CG 3.73Å; F298-F328 HydrophobicContact CE2-CG 3.73Å; F298-F328 HydrophobicContact CE2-CZ 4.25Å; F298-F328 HydrophobicContact CZ-CB 4.36Å; F298-F328 AromaticContact CZ-CD1 3.79Å; F298-F328 HydrophobicContact CZ-CD1 3.79Å; F298-F328 HydrophobicContact CZ-CE1 4.37Å; F298-F328 HydrophobicContact CZ-CG 4.1Å
299	S	95.1	Very high	95.8	Very high	67 Å²	67	41.5 Å²	41.5	47%	0.469	22%	0.223	S	C	.	.	S	Bend	trans	-83.8	-4.1	-173.1	74.3	0	0	0	0	114.8	E54 P306 I307	E54-S299 PolarHBondContact OE1-N 3.47Å; E54-S299 PolarHBondContact OE2-OG 2.74Å; S299-P306 CarbonylContact O-C 3.49Å; S299-P306 WeakPolarHBondContact O-CA 3.32Å; S299-I307 PolarHBondContact O-N 3.41Å
300	V	95	Very high	95.8	Very high	22 Å²	22	39.3 Å²	39.3	13%	0.133	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-127.7	151.2	-178.8	-63.8	0	0	0	0	111.9	E54 V58 W296 F298 Q305	E54-V300 HydrophobicContact CB-CG2 4.2Å; V58-V300 HydrophobicContact CG2-CG2 4.23Å; W296-V300 VanDerWaalsContact CE2-O 3.25Å; W296-V300 WeakPolarHBondContact CZ2-O 3.31Å; W296-V300 PolarHBondContact NE1-O 3.18Å; F298-V300 VanDerWaalsContact C-N 3.32Å; F298-V300 PolarHBondContact O-N 2.87Å; V300-Q305 CarbonylContact C-O 3.52Å; V300-Q305 WeakPolarHBondContact CA-O 3.12Å
301	N	93.1	Very high	95.7	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.128	21%	0.209	C	C	.	.			trans	-84	-174.2	172.1	69.8	11.7	0	0	0	112.2	I146 H303 E304 Q305 I307	I146-N301 HydrophobicContact CD1-CB 3.96Å; N301-H303 PolarHBondContact O-N 3.47Å; N301-H303 VanDerWaalsContact O-N 3.12Å; N301-H303 WeakPolarHBondContact OD1-CA 3.22Å; N301-H303 WeakPolarHBondContact OD1-CB 3.47Å; N301-H303 PolarHBondContact OD1-N 2.86Å; N301-E304 PolarHBondContact O-N 3.3Å; N301-E304 PolarHBondContact OD1-N 3.09Å; N301-Q305 PolarHBondContact N-O 3.45Å; N301-Q305 PolarHBondContact ND2-OE1 2.94Å; N301-Q305 VanDerWaalsContact ND2-OE1 3.09Å; N301-Q305 WeakPolarHBondContact OD1-CB 3.25Å; N301-Q305 PolarHBondContact OD1-N 2.85Å; N301-I307 HydrophobicContact CB-CG2 3.83Å
302	M	90.8	Very high	95.6	Very high	18 Å²	18	40.9 Å²	40.9	9%	0.089	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15	177.5	-61.9	-56.7	156.8	0	0	114.6	V61 L62 W296 L344	V61-M302 HydrophobicContact CB-CE 4.4Å; V61-M302 HydrophobicContact CB-SD 4.2Å; V61-M302 HydrophobicContact CG1-CE 3.8Å; V61-M302 HydrophobicContact CG1-SD 3.78Å; L62-M302 HydrophobicContact CD2-CB 4.32Å; W296-M302 HydrophobicContact CD2-CE 4.23Å; W296-M302 HydrophobicContact CE3-CE 3.7Å; W296-M302 HydrophobicContact CH2-CE 3.49Å; W296-M302 VanDerWaalsContact CH2-CE 3.49Å; W296-M302 HydrophobicContact CH2-SD 4.13Å; W296-M302 HydrophobicContact CZ2-CE 4.04Å; W296-M302 HydrophobicContact CZ3-CE 3.31Å; W296-M302 HydrophobicContact CZ3-SD 4.44Å; M302-L344 HydrophobicContact CE-CB 3.9Å; M302-L344 HydrophobicContact CE-CD1 3.83Å; M302-L344 HydrophobicContact CE-CG 4.31Å
303	H	90.5	Very high	95.4	Very high	149 Å²	149	43.6 Å²	43.6	69%	0.69	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	16.5	175.4	-54.5	93.4	0	0	0	112	N301 Q305	N301-H303 PolarHBondContact O-N 3.47Å; N301-H303 VanDerWaalsContact O-N 3.12Å; N301-H303 WeakPolarHBondContact OD1-CA 3.22Å; N301-H303 WeakPolarHBondContact OD1-CB 3.47Å; N301-H303 PolarHBondContact OD1-N 2.86Å; H303-Q305 HydrophobicContact CB-CG 4.15Å; H303-Q305 PolarHBondContact O-N 2.83Å; H303-Q305 VanDerWaalsContact O-N 3.12Å
304	E	90.3	Very high	95.3	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	26%	0.257	S	S	.	.	S	Bend	trans	58.8	19	-175.8	-58.7	-173.6	-152.4	0	0	114.4	K55 N301	K55-E304 VanDerWaalsContact CE-OE2 3.3Å; K55-E304 WeakPolarHBondContact CE-OE2 3.48Å; K55-E304 IonicContact NZ-OE2 3.69Å; N301-E304 PolarHBondContact O-N 3.3Å; N301-E304 PolarHBondContact OD1-N 3.09Å
305	Q	93.5	Very high	95	Very high	112 Å²	112	52.8 Å²	52.8	52%	0.523	28%	0.281	S	S	.	.			trans	-86.4	140	178	-59.4	171.8	-31.8	0	0	110.6	V300 N301 H303 I307	V300-Q305 CarbonylContact C-O 3.52Å; V300-Q305 WeakPolarHBondContact CA-O 3.12Å; N301-Q305 PolarHBondContact N-O 3.45Å; N301-Q305 PolarHBondContact ND2-OE1 2.94Å; N301-Q305 VanDerWaalsContact ND2-OE1 3.09Å; N301-Q305 WeakPolarHBondContact OD1-CB 3.25Å; N301-Q305 PolarHBondContact OD1-N 2.85Å; H303-Q305 HydrophobicContact CB-CG 4.15Å; H303-Q305 PolarHBondContact O-N 2.83Å; H303-Q305 VanDerWaalsContact O-N 3.12Å; Q305-I307 PolarHBondContact O-N 2.66Å
306	P	96.1	Very high	94.6	Very high	119 Å²	119	57.7 Å²	57.7	77%	0.773	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-57.6	136.9	177.9	-24.5	33.8	0	0	0	112.8	S299	S299-P306 CarbonylContact O-C 3.49Å; S299-P306 WeakPolarHBondContact O-CA 3.32Å
307	I	96.3	Very high	94.1	Very high	39 Å²	39	60 Å²	60	20%	0.2	32%	0.323	C	S	.	.			trans	-130.2	156.4	173.9	57.6	171.8	0	0	0	110.6	I146 W296 S299 N301 Q305	I146-I307 HydrophobicContact CB-CD1 4.42Å; I146-I307 HydrophobicContact CD1-CD1 4.37Å; W296-I307 VanDerWaalsContact CD1-CD1 3.5Å; S299-I307 PolarHBondContact O-N 3.41Å; N301-I307 HydrophobicContact CB-CG2 3.83Å; Q305-I307 PolarHBondContact O-N 2.66Å
308	S	97	Very high	93.5	Very high	29 Å²	29	65.3 Å²	65.3	20%	0.203	34%	0.344	C	S	.	.			trans	-73	157.6	174.2	51.5	0	0	0	0	111.6	G145 H310 D313 N314	G145-S308 VanDerWaalsContact CA-O 3.3Å; G145-S308 WeakPolarHBondContact CA-O 3.42Å; S308-H310 WeakPolarHBondContact CB-O 3.44Å; S308-H310 PolarHBondContact OG-O 2.93Å; S308-D313 WeakPolarHBondContact CB-O 3.33Å; S308-N314 WeakPolarHBondContact CA-OD1 3.43Å
309	H	96.1	Very high	92.8	Very high	31 Å²	31	70.5 Å²	70.5	14%	0.144	38%	0.382	C	S	.	.	S	Bend	trans	-61.5	-46.9	176.6	-172.2	59.8	0	0	0	111.9	G144 G145 N314 V315 L316 P317	G144-H309 WeakPolarHBondContact CA-O 3.36Å; G145-H309 PolarHBondContact N-O 3.21Å; H309-N314 PolarHBondContact N-OD1 3.16Å; H309-V315 PolarHBondContact CD2-O 2.98Å; H309-V315 VanDerWaalsContact CD2-O 3.23Å; H309-L316 HydrophobicContact CB-CD2 3.82Å; H309-P317 WeakPolarHBondContact NE2-CD 3.36Å
310	H	97.8	Very high	92.1	Very high	32 Å²	32	70.3 Å²	70.3	15%	0.148	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-107	161.7	174	-59.5	126.5	0	0	0	111.9	N143 S308 Y312 D313 V315	N143-H310 CarbonylContact O-C 3.54Å; N143-H310 WeakPolarHBondContact O-CA 3.19Å; S308-H310 WeakPolarHBondContact CB-O 3.44Å; S308-H310 PolarHBondContact OG-O 2.93Å; H310-Y312 HydrophobicContact CB-CD1 4.14Å; H310-Y312 HydrophobicContact CB-CD2 4.15Å; H310-Y312 HydrophobicContact CB-CE1 3.95Å; H310-Y312 HydrophobicContact CB-CE2 3.91Å; H310-Y312 HydrophobicContact CB-CG 4.26Å; H310-Y312 AromaticContact CG-CZ 3.77Å; H310-Y312 AromaticContact ND1-CE2 3.95Å; H310-Y312 PolarHBondContact O-N 2.99Å; H310-D313 CarbonylContact C-O 3.49Å; H310-D313 WeakPolarHBondContact CA-O 3.3Å; H310-D313 WeakPolarHBondContact CB-O 3.45Å; H310-D313 IonicContact CE1-OD1 2.66Å; H310-D313 IonicContact CG-OD1 3.75Å; H310-D313 PolarHBondContact N-O 3.33Å; H310-D313 VanDerWaalsContact N-O 3.1Å; H310-D313 IonicContact ND1-OD1 2.77Å; H310-D313 PolarHBondContact ND1-OD1 3.35Å; H310-D313 IonicContact ND1-OD2 3.9Å; H310-V315 PolarHBondContact CE1-O 3.11Å; H310-V315 PolarHBondContact ND1-O 2.9Å
311	Y	97.6	Very high	91.6	Very high	2 Å²	2	72.7 Å²	72.7	1%	0.008	40%	0.399	C	S	.	.	S	Bend	trans	-70.1	-18.7	173.3	68.1	-102.4	0	0	0	113.3	N143 L147 P168 P169 Y174 V178	N143-Y311 HydrophobicContact CB-CE1 4.43Å; N143-Y311 WeakPolarHBondContact O-CD1 3.3Å; N143-Y311 PolarHBondContact O-N 3.42Å; L147-Y311 HydrophobicContact CD1-CD1 4.03Å; L147-Y311 HydrophobicContact CD1-CE1 4.47Å; P168-Y311 HydrophobicContact CB-CE1 4.46Å; P168-Y311 WeakPolarHBondContact CB-OH 3.27Å; P169-Y311 HydrophobicContact CG-CE2 4.46Å; P169-Y311 PolarHBondContact O-OH 3.33Å; Y174-Y311 AromaticContact CD1-CD2 3.54Å; Y174-Y311 HydrophobicContact CD1-CD2 3.54Å; Y174-Y311 AromaticContact CD1-CE2 3.8Å; Y174-Y311 HydrophobicContact CD1-CE2 3.8Å; Y174-Y311 HydrophobicContact CD2-CE2 4.11Å; Y174-Y311 HydrophobicContact CE1-CD2 4.01Å; Y174-Y311 HydrophobicContact CE1-CE2 4.41Å; Y174-Y311 AromaticContact CG-CD2 3.91Å; Y174-Y311 HydrophobicContact CG-CD2 3.91Å; Y174-Y311 AromaticContact CG-CE2 3.65Å; Y174-Y311 HydrophobicContact CG-CE2 3.65Å; V178-Y311 HydrophobicContact CG1-CD1 4.05Å; V178-Y311 HydrophobicContact CG1-CD2 4.11Å; V178-Y311 HydrophobicContact CG1-CE1 3.95Å; V178-Y311 HydrophobicContact CG1-CE2 4Å; V178-Y311 HydrophobicContact CG1-CG 4.13Å; V178-Y311 HydrophobicContact CG2-CE2 4.13Å
312	Y	96.7	Very high	91.6	Very high	53 Å²	53	74.9 Å²	74.9	21%	0.208	41%	0.409	C	S	.	.	S	Bend	trans	-112.9	-16.5	-176.2	52.3	-96.8	0	0	0	114.8	N143 P168 P169 H310	N143-Y312 HydrophobicContact CB-CE1 3.92Å; N143-Y312 PolarHBondContact ND2-OH 2.85Å; N143-Y312 VanDerWaalsContact ND2-OH 3.13Å; P168-Y312 HydrophobicContact CB-CE1 3.85Å; P169-Y312 VanDerWaalsContact CD-CD1 3.46Å; P169-Y312 VanDerWaalsContact CG-CB 3.42Å; P169-Y312 HydrophobicContact CG-CD1 3.65Å; P169-Y312 HydrophobicContact CG-CD2 3.98Å; P169-Y312 HydrophobicContact CG-CE1 4.37Å; P169-Y312 HydrophobicContact CG-CG 3.4Å; H310-Y312 HydrophobicContact CB-CD1 4.14Å; H310-Y312 HydrophobicContact CB-CD2 4.15Å; H310-Y312 HydrophobicContact CB-CE1 3.95Å; H310-Y312 HydrophobicContact CB-CE2 3.91Å; H310-Y312 HydrophobicContact CB-CG 4.26Å; H310-Y312 AromaticContact CG-CZ 3.77Å; H310-Y312 AromaticContact ND1-CE2 3.95Å; H310-Y312 PolarHBondContact O-N 2.99Å
313	D	95.3	Very high	91.7	Very high	58 Å²	58	74.8 Å²	74.8	31%	0.31	41%	0.411	S	S	.	.			trans	-157	-174.9	176.9	70.6	36.5	0	0	0	111.5	S308 H310 V315	S308-D313 WeakPolarHBondContact CB-O 3.33Å; H310-D313 CarbonylContact C-O 3.49Å; H310-D313 WeakPolarHBondContact CA-O 3.3Å; H310-D313 WeakPolarHBondContact CB-O 3.45Å; H310-D313 IonicContact CE1-OD1 2.66Å; H310-D313 IonicContact CG-OD1 3.75Å; H310-D313 PolarHBondContact N-O 3.33Å; H310-D313 VanDerWaalsContact N-O 3.1Å; H310-D313 IonicContact ND1-OD1 2.77Å; H310-D313 PolarHBondContact ND1-OD1 3.35Å; H310-D313 IonicContact ND1-OD2 3.9Å; D313-V315 HydrophobicContact CB-CG2 4.39Å; D313-V315 PolarHBondContact OD1-N 2.94Å
314	N	96.1	Very high	92	Very high	110 Å²	110	69.8 Å²	69.8	59%	0.588	39%	0.388	S	S	*	.			trans	-121.9	33.5	174.2	-160.4	36.6	0	0	0	112.9	S308 H309 L316	S308-N314 WeakPolarHBondContact CA-OD1 3.43Å; H309-N314 PolarHBondContact N-OD1 3.16Å; N314-L316 PolarHBondContact O-N 3.1Å
315	V	92	Very high	92.2	Very high	90 Å²	90	67.9 Å²	67.9	55%	0.545	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-79.5	116.8	179	179.1	0	0	0	0	109.5	H309 H310 D313	H309-V315 PolarHBondContact CD2-O 2.98Å; H309-V315 VanDerWaalsContact CD2-O 3.23Å; H310-V315 PolarHBondContact CE1-O 3.11Å; H310-V315 PolarHBondContact ND1-O 2.9Å; D313-V315 HydrophobicContact CB-CG2 4.39Å; D313-V315 PolarHBondContact OD1-N 2.94Å
316	L	90.1	Very high	92.3	Very high	123 Å²	123	63.1 Å²	63.1	64%	0.644	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-76.9	149.9	178.2	-62.2	178.1	0	0	0	111.7	H309 N314	H309-L316 HydrophobicContact CB-CD2 3.82Å; N314-L316 PolarHBondContact O-N 3.1Å
317	P	85.4	Confident	92.4	Very high	55 Å²	55	57.8 Å²	57.8	36%	0.357	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.9	162.3	173.4	32.5	-37.7	0	0	0	110.5	H309 S319 M324	H309-P317 WeakPolarHBondContact NE2-CD 3.36Å; P317-S319 PolarHBondContact O-N 3.18Å; P317-M324 HydrophobicContact CG-CE 3.64Å
318	F	83.2	Confident	92.5	Very high	138 Å²	138	56.1 Å²	56.1	61%	0.605	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-58.2	123.3	170.9	-71.5	-73.8	0	0	0	110.9	Q194 F321	Q194-F318 VanDerWaalsContact NE2-CZ 3.33Å; F318-F321 HydrophobicContact CB-CD2 3.95Å; F318-F321 HydrophobicContact CB-CE2 4.38Å
319	S	80.8	Confident	92.5	Very high	123 Å²	123	57.1 Å²	57.1	86%	0.86	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	143.4	178.9	-174.1	0	0	0	0	111.5	P317 F321	P317-S319 PolarHBondContact O-N 3.18Å; S319-F321 VanDerWaalsContact C-N 3.34Å; S319-F321 PolarHBondContact O-N 2.73Å
320	G	80.3	Confident	92.5	Very high	62 Å²	62	57.7 Å²	57.7	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	3.8	174.4	0	0	0	0	0	116.4
321	F	85.4	Confident	92.6	Very high	73 Å²	73	56.3 Å²	56.3	32%	0.32	32%	0.317	S	S	.	.	S	Bend	trans	-89.3	-48	175.5	-89.5	-98.3	0	0	0	113.4	K271 R272 F318 S319	K271-F321 HydrophobicContact CD-CE1 4.48Å; K271-F321 PolarHBondContact N-O 2.93Å; R272-F321 PolarHBondContact N-O 3.33Å; F318-F321 HydrophobicContact CB-CD2 3.95Å; F318-F321 HydrophobicContact CB-CE2 4.38Å; S319-F321 VanDerWaalsContact C-N 3.34Å; S319-F321 PolarHBondContact O-N 2.73Å
322	H	92	Very high	92.5	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.319	32%	0.32	S	S	.	.			trans	-115.8	151.3	-172.8	-54.7	-54.3	0	0	0	110.6	R272 L273 S274 M324	R272-H322 PolarHBondContact O-ND1 3.12Å; L273-H322 PolarHBondContact O-CE1 3.28Å; L273-H322 VanDerWaalsContact O-CE1 3.23Å; L273-H322 PolarHBondContact O-ND1 3.47Å; S274-H322 PolarHBondContact N-ND1 3.16Å; H322-M324 HydrophobicContact CB-CG 3.95Å
323	A	94.1	Very high	92.5	Very high	17 Å²	17	60.5 Å²	60.5	14%	0.14	33%	0.333	C	S	.	.			trans	-113.1	58.7	172.7	0	0	0	0	0	109.4	A270 P325 E326 E327	A270-A323 HydrophobicContact CB-CB 3.76Å; A323-P325 VanDerWaalsContact C-CD 3.46Å; A323-P325 VanDerWaalsContact C-N 3.32Å; A323-E326 HydrophobicContact CB-CB 4.18Å; A323-E326 HydrophobicContact CB-CG 4.06Å; A323-E326 VanDerWaalsContact CB-OE2 3.27Å; A323-E326 WeakPolarHBondContact CB-OE2 3.17Å; A323-E326 WeakPolarHBondContact O-CA 3.08Å; A323-E326 WeakPolarHBondContact O-CB 3.34Å; A323-E326 PolarHBondContact O-N 3.02Å; A323-E327 PolarHBondContact O-N 2.96Å
324	M	95.4	Very high	92.7	Very high	43 Å²	43	57.8 Å²	57.8	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-34.7	-170.3	-63	-175.5	-64.3	0	0	114.8	P297 P317 H322 E326 E327 F328	P297-M324 HydrophobicContact CB-CB 3.56Å; P297-M324 HydrophobicContact CB-CE 4.43Å; P297-M324 HydrophobicContact CG-CB 4.19Å; P317-M324 HydrophobicContact CG-CE 3.64Å; H322-M324 HydrophobicContact CB-CG 3.95Å; M324-E326 VanDerWaalsContact C-N 3.32Å; M324-E326 PolarHBondContact O-N 2.86Å; M324-E327 PolarHBondContact O-N 3.08Å; M324-F328 WeakPolarHBondContact O-CB 3.49Å; M324-F328 PolarHBondContact O-N 2.78Å
325	P	95.2	Very high	92.7	Very high	48 Å²	48	53.2 Å²	53.2	31%	0.312	29%	0.293	S	S	.	.	H	α-helix	trans	-58.7	-39.8	170.9	-28.6	37.8	0	0	0	113.7	F298 A323 F328 L329	F298-P325 HydrophobicContact CE1-CB 4.03Å; F298-P325 HydrophobicContact CE1-CG 4.3Å; F298-P325 HydrophobicContact CZ-CB 4.42Å; A323-P325 VanDerWaalsContact C-CD 3.46Å; A323-P325 VanDerWaalsContact C-N 3.32Å; P325-F328 WeakPolarHBondContact O-CB 3.36Å; P325-F328 PolarHBondContact O-N 2.75Å; P325-L329 WeakPolarHBondContact O-CG 3.2Å; P325-L329 PolarHBondContact O-N 2.87Å; P325-L329 VanDerWaalsContact O-N 3.09Å
326	E	96.1	Very high	92.9	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-41.5	175	-58.8	-176.6	154.8	0	0	111.1	Y49 L51 I268 H269 A323 M324 F328 L329 Q330	Y49-E326 VanDerWaalsContact CE1-OE1 3.25Å; Y49-E326 WeakPolarHBondContact CE1-OE1 3.38Å; Y49-E326 VanDerWaalsContact OH-CG 3.31Å; Y49-E326 WeakPolarHBondContact OH-CG 3.45Å; Y49-E326 PolarHBondContact OH-OE1 2.98Å; L51-E326 HydrophobicContact CD1-CG 4Å; L51-E326 HydrophobicContact CD2-CG 3.76Å; L51-E326 HydrophobicContact CG-CG 4.34Å; I268-E326 WeakPolarHBondContact CA-OE2 3.36Å; I268-E326 HydrophobicContact CG1-CB 4.28Å; H269-E326 IonicContact CG-OE1 3.19Å; H269-E326 PolarHBondContact N-OE2 2.93Å; H269-E326 IonicContact ND1-OE1 2.93Å; H269-E326 PolarHBondContact ND1-OE1 3.34Å; H269-E326 VanDerWaalsContact ND1-OE1 3.14Å; H269-E326 IonicContact ND1-OE2 3.6Å; A323-E326 HydrophobicContact CB-CB 4.18Å; A323-E326 HydrophobicContact CB-CG 4.06Å; A323-E326 VanDerWaalsContact CB-OE2 3.27Å; A323-E326 WeakPolarHBondContact CB-OE2 3.17Å; A323-E326 WeakPolarHBondContact O-CA 3.08Å; A323-E326 WeakPolarHBondContact O-CB 3.34Å; A323-E326 PolarHBondContact O-N 3.02Å; M324-E326 VanDerWaalsContact C-N 3.32Å; M324-E326 PolarHBondContact O-N 2.86Å; E326-F328 VanDerWaalsContact C-N 3.3Å; E326-F328 PolarHBondContact O-N 3.32Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-Q330 WeakPolarHBondContact O-CG 3.16Å; E326-Q330 PolarHBondContact O-N 3.4Å; E326-Q330 VanDerWaalsContact O-N 3.1Å
327	E	97.9	Very high	93.3	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-43	174.8	-57.2	-175.6	-175.5	0	0	111.3	I268 L273 S274 L277 A323 M324 L329 Q330 L331	I268-E327 HydrophobicContact CD1-CG 4.1Å; I268-E327 HydrophobicContact CG2-CG 4.43Å; L273-E327 WeakPolarHBondContact CA-OE1 3.25Å; S274-E327 WeakPolarHBondContact CB-OE2 3.49Å; S274-E327 PolarHBondContact N-OE1 2.91Å; S274-E327 PolarHBondContact OG-OE2 3.47Å; L277-E327 HydrophobicContact CB-CB 4.48Å; L277-E327 HydrophobicContact CB-CG 4.44Å; L277-E327 WeakPolarHBondContact CB-OE2 3.3Å; L277-E327 HydrophobicContact CD2-CB 3.92Å; L277-E327 HydrophobicContact CD2-CG 3.58Å; A323-E327 PolarHBondContact O-N 2.96Å; M324-E327 PolarHBondContact O-N 3.08Å; E327-L329 PolarHBondContact O-N 2.95Å; E327-Q330 PolarHBondContact O-N 2.82Å; E327-L331 VanDerWaalsContact O-CG 3.32Å; E327-L331 WeakPolarHBondContact O-CG 3.5Å; E327-L331 PolarHBondContact O-N 3.49Å
328	F	97.8	Very high	93.8	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-46.8	174.6	174	-91.3	0	0	0	111.4	I57 V61 F295 W296 P297 F298 M324 P325 E326 Q330 L331 W332 M342 L344	I57-F328 HydrophobicContact CG2-CD1 4.26Å; I57-F328 HydrophobicContact CG2-CE1 3.58Å; I57-F328 HydrophobicContact CG2-CZ 4.21Å; V61-F328 HydrophobicContact CG2-CZ 4.09Å; F295-F328 VanDerWaalsContact O-CD2 3.25Å; F295-F328 WeakPolarHBondContact O-CD2 3.24Å; F295-F328 WeakPolarHBondContact O-CE2 3.19Å; W296-F328 HydrophobicContact CE3-CD2 4.48Å; W296-F328 AromaticContact CE3-CE2 3.67Å; W296-F328 HydrophobicContact CE3-CE2 3.67Å; W296-F328 AromaticContact CE3-CZ 3.88Å; W296-F328 HydrophobicContact CE3-CZ 3.88Å; W296-F328 HydrophobicContact CZ3-CE1 4.43Å; W296-F328 AromaticContact CZ3-CE2 4Å; W296-F328 HydrophobicContact CZ3-CE2 4Å; W296-F328 AromaticContact CZ3-CZ 3.69Å; W296-F328 HydrophobicContact CZ3-CZ 3.69Å; P297-F328 HydrophobicContact CG-CB 3.85Å; P297-F328 HydrophobicContact CG-CG 4.44Å; F298-F328 HydrophobicContact CE2-CB 4.35Å; F298-F328 AromaticContact CE2-CD1 3.57Å; F298-F328 HydrophobicContact CE2-CD1 3.57Å; F298-F328 HydrophobicContact CE2-CD2 4.14Å; F298-F328 AromaticContact CE2-CE1 3.86Å; F298-F328 HydrophobicContact CE2-CE1 3.86Å; F298-F328 HydrophobicContact CE2-CE2 4.37Å; F298-F328 AromaticContact CE2-CG 3.73Å; F298-F328 HydrophobicContact CE2-CG 3.73Å; F298-F328 HydrophobicContact CE2-CZ 4.25Å; F298-F328 HydrophobicContact CZ-CB 4.36Å; F298-F328 AromaticContact CZ-CD1 3.79Å; F298-F328 HydrophobicContact CZ-CD1 3.79Å; F298-F328 HydrophobicContact CZ-CE1 4.37Å; F298-F328 HydrophobicContact CZ-CG 4.1Å; M324-F328 WeakPolarHBondContact O-CB 3.49Å; M324-F328 PolarHBondContact O-N 2.78Å; P325-F328 WeakPolarHBondContact O-CB 3.36Å; P325-F328 PolarHBondContact O-N 2.75Å; E326-F328 VanDerWaalsContact C-N 3.3Å; E326-F328 PolarHBondContact O-N 3.32Å; F328-Q330 VanDerWaalsContact C-N 3.28Å; F328-Q330 PolarHBondContact O-N 2.77Å; F328-L331 PolarHBondContact O-N 2.73Å; F328-W332 HydrophobicContact CD1-CB 4.49Å; F328-W332 HydrophobicContact CE1-CB 4.11Å; F328-W332 HydrophobicContact CE1-CG 4.33Å; F328-W332 HydrophobicContact CZ-CB 4.35Å; F328-W332 HydrophobicContact CZ-CE3 4.46Å; F328-W332 HydrophobicContact CZ-CG 4.47Å; F328-W332 VanDerWaalsContact O-CB 3.27Å; F328-W332 WeakPolarHBondContact O-CB 3.27Å; F328-W332 PolarHBondContact O-N 3.21Å; F328-M342 HydrophobicContact CD2-CE 4.16Å; F328-M342 HydrophobicContact CD2-SD 4.23Å; F328-M342 HydrophobicContact CE2-CE 4.04Å; F328-M342 HydrophobicContact CE2-SD 3.56Å; F328-M342 VanDerWaalsContact CE2-SD 3.56Å; F328-M342 HydrophobicContact CZ-SD 4.23Å; F328-L344 HydrophobicContact CE2-CD1 4.41Å; F328-L344 HydrophobicContact CZ-CD1 4.39Å
329	L	96.6	Very high	94.6	Very high	50 Å²	50	41.7 Å²	41.7	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-59.4	-39.5	179	-71.8	174.2	0	0	0	112.3	L51 I57 P325 E326 E327 W332 Y333	L51-L329 HydrophobicContact CD2-CD1 3.71Å; I57-L329 HydrophobicContact CD1-CD2 3.55Å; I57-L329 HydrophobicContact CD1-CG 4.41Å; P325-L329 WeakPolarHBondContact O-CG 3.2Å; P325-L329 PolarHBondContact O-N 2.87Å; P325-L329 VanDerWaalsContact O-N 3.09Å; E326-L329 PolarHBondContact O-N 3.47Å; E327-L329 PolarHBondContact O-N 2.95Å; L329-W332 PolarHBondContact O-N 3.23Å; L329-Y333 PolarHBondContact O-N 3.4Å
330	Q	97.7	Very high	95.4	Very high	43 Å²	43	35.9 Å²	35.9	20%	0.201	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-45.2	175.1	-65.4	-55.1	-41.7	0	0	112	W263 R266 I268 E326 E327 F328 W332 Y333 L334	W263-Q330 HydrophobicContact CE3-CB 4.19Å; W263-Q330 HydrophobicContact CE3-CG 4.15Å; W263-Q330 HydrophobicContact CH2-CB 4.34Å; W263-Q330 HydrophobicContact CZ3-CB 3.65Å; W263-Q330 HydrophobicContact CZ3-CG 4.01Å; R266-Q330 PolarHBondContact O-NE2 3.42Å; I268-Q330 HydrophobicContact CD1-CB 4.4Å; I268-Q330 HydrophobicContact CD1-CG 3.77Å; I268-Q330 HydrophobicContact CG1-CG 3.96Å; E326-Q330 WeakPolarHBondContact O-CG 3.16Å; E326-Q330 PolarHBondContact O-N 3.4Å; E326-Q330 VanDerWaalsContact O-N 3.1Å; E327-Q330 PolarHBondContact O-N 2.82Å; F328-Q330 VanDerWaalsContact C-N 3.28Å; F328-Q330 PolarHBondContact O-N 2.77Å; Q330-W332 VanDerWaalsContact C-N 3.31Å; Q330-W332 PolarHBondContact O-N 3.45Å; Q330-Y333 WeakPolarHBondContact O-CB 3.24Å; Q330-Y333 PolarHBondContact O-N 2.84Å; Q330-L334 WeakPolarHBondContact O-CG 3.34Å; Q330-L334 PolarHBondContact O-N 3.36Å; Q330-L334 VanDerWaalsContact O-N 3.09Å
331	L	98.3	Very high	96.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-36.7	176.8	-66.7	176.3	0	0	0	111.9	L277 V280 I292 F295 E327 F328 L334 H335 L340 M342	L277-L331 HydrophobicContact CD1-CD1 4.44Å; L277-L331 HydrophobicContact CD1-CD2 3.83Å; L277-L331 HydrophobicContact CD1-CG 4.12Å; V280-L331 HydrophobicContact CB-CD2 4.15Å; V280-L331 HydrophobicContact CG1-CD2 3.57Å; V280-L331 HydrophobicContact CG2-CD2 4.43Å; I292-L331 HydrophobicContact CD1-CB 4.14Å; I292-L331 HydrophobicContact CD1-CD1 4.09Å; I292-L331 HydrophobicContact CD1-CD2 4.33Å; I292-L331 HydrophobicContact CD1-CG 4.43Å; F295-L331 HydrophobicContact CB-CD1 4.42Å; F295-L331 HydrophobicContact CD1-CD1 3.4Å; F295-L331 HydrophobicContact CE1-CD1 3.94Å; F295-L331 HydrophobicContact CG-CD1 4.14Å; E327-L331 VanDerWaalsContact O-CG 3.32Å; E327-L331 WeakPolarHBondContact O-CG 3.5Å; E327-L331 PolarHBondContact O-N 3.49Å; F328-L331 PolarHBondContact O-N 2.73Å; L331-L334 PolarHBondContact O-N 2.83Å; L331-H335 PolarHBondContact O-N 3.33Å; L331-L340 HydrophobicContact CD2-CD2 4.21Å; L331-M342 HydrophobicContact CB-CE 3.37Å
332	W	96.9	Very high	96.8	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-38.2	175.3	-173.4	-121.6	0	0	0	111.7	V61 Q64 F328 L329 Q330 H335 K336 M342 L344	V61-W332 HydrophobicContact CB-CH2 4.29Å; V61-W332 HydrophobicContact CB-CZ2 4.16Å; V61-W332 HydrophobicContact CG1-CH2 3.86Å; V61-W332 HydrophobicContact CG1-CZ2 4.23Å; V61-W332 HydrophobicContact CG1-CZ3 4.41Å; V61-W332 HydrophobicContact CG2-CD2 4.34Å; V61-W332 HydrophobicContact CG2-CH2 4.11Å; V61-W332 HydrophobicContact CG2-CZ2 3.89Å; V61-W332 HydrophobicContact CG2-CZ3 4.41Å; Q64-W332 HydrophobicContact CB-CH2 4.25Å; Q64-W332 HydrophobicContact CB-CZ2 3.72Å; Q64-W332 HydrophobicContact CG-CH2 4.21Å; Q64-W332 HydrophobicContact CG-CZ2 3.9Å; F328-W332 HydrophobicContact CD1-CB 4.49Å; F328-W332 HydrophobicContact CE1-CB 4.11Å; F328-W332 HydrophobicContact CE1-CG 4.33Å; F328-W332 HydrophobicContact CZ-CB 4.35Å; F328-W332 HydrophobicContact CZ-CE3 4.46Å; F328-W332 HydrophobicContact CZ-CG 4.47Å; F328-W332 VanDerWaalsContact O-CB 3.27Å; F328-W332 WeakPolarHBondContact O-CB 3.27Å; F328-W332 PolarHBondContact O-N 3.21Å; L329-W332 PolarHBondContact O-N 3.23Å; Q330-W332 VanDerWaalsContact C-N 3.31Å; Q330-W332 PolarHBondContact O-N 3.45Å; W332-H335 HydrophobicContact CE3-CB 4.11Å; W332-H335 AromaticContact CE3-CD2 3.7Å; W332-H335 AromaticContact CH2-CD2 3.52Å; W332-H335 AromaticContact CH2-NE2 3.84Å; W332-H335 HydrophobicContact CZ3-CB 4.43Å; W332-H335 AromaticContact CZ3-CD2 3.21Å; W332-H335 WeakPolarHBondContact CZ3-CD2 3.22Å; W332-H335 AromaticContact CZ3-CG 3.9Å; W332-H335 AromaticContact CZ3-NE2 3.73Å; W332-H335 WeakPolarHBondContact O-CB 3.46Å; W332-H335 PolarHBondContact O-N 2.84Å; W332-K336 WeakPolarHBondContact O-CG 3.25Å; W332-K336 PolarHBondContact O-N 3.49Å; W332-M342 HydrophobicContact CE3-CE 4.5Å; W332-M342 HydrophobicContact CE3-SD 3.79Å; W332-M342 HydrophobicContact CZ3-SD 4.3Å; W332-L344 HydrophobicContact CE3-CD1 4.22Å; W332-L344 HydrophobicContact CH2-CD1 4.43Å; W332-L344 HydrophobicContact CZ3-CD1 3.73Å
333	Y	96.7	Very high	97	Very high	123 Å²	123	31.7 Å²	31.7	48%	0.482	15%	0.15	S	C	.	.	H	α-helix	trans	-58.9	-47	169.9	170.8	-101	0	0	0	111.8	L329 Q330 H335 K336 I337	L329-Y333 PolarHBondContact O-N 3.4Å; Q330-Y333 WeakPolarHBondContact O-CB 3.24Å; Q330-Y333 PolarHBondContact O-N 2.84Å; Y333-H335 VanDerWaalsContact C-N 3.26Å; Y333-H335 PolarHBondContact O-N 3.35Å; Y333-K336 PolarHBondContact O-N 3.37Å; Y333-I337 HydrophobicContact CD2-CG2 4.27Å; Y333-I337 HydrophobicContact CE1-CD1 3.9Å; Y333-I337 HydrophobicContact CE1-CG2 4.36Å; Y333-I337 HydrophobicContact CE2-CG2 3.74Å; Y333-I337 PolarHBondContact O-N 2.94Å; Y333-I337 VanDerWaalsContact O-N 3.1Å
334	L	98	Very high	96.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-34.1	176.8	-63.8	-174.7	0	0	0	113	F78 W263 L284 Q330 L331 I337 G338 A339 L340	F78-L334 HydrophobicContact CD1-CD1 4.48Å; F78-L334 HydrophobicContact CD2-CD2 3.52Å; F78-L334 HydrophobicContact CE1-CD1 4.02Å; F78-L334 HydrophobicContact CE2-CD1 4.14Å; F78-L334 HydrophobicContact CE2-CD2 3.44Å; F78-L334 VanDerWaalsContact CE2-CD2 3.44Å; F78-L334 HydrophobicContact CE2-CG 4.39Å; F78-L334 HydrophobicContact CG-CD2 4.17Å; F78-L334 HydrophobicContact CZ-CD1 3.82Å; F78-L334 HydrophobicContact CZ-CD2 4.02Å; W263-L334 HydrophobicContact CH2-CD1 4.05Å; L284-L334 HydrophobicContact CD1-CD1 3.74Å; Q330-L334 WeakPolarHBondContact O-CG 3.34Å; Q330-L334 PolarHBondContact O-N 3.36Å; Q330-L334 VanDerWaalsContact O-N 3.09Å; L331-L334 PolarHBondContact O-N 2.83Å; L334-I337 HydrophobicContact CD2-CD1 4.11Å; L334-I337 WeakPolarHBondContact O-CG1 3.43Å; L334-G338 PolarHBondContact O-N 2.76Å; L334-A339 HydrophobicContact CB-CB 4.39Å; L334-A339 HydrophobicContact CD2-CB 4.4Å; L334-A339 PolarHBondContact O-N 2.87Å; L334-L340 HydrophobicContact CB-CD2 3.67Å; L334-L340 HydrophobicContact CB-CG 3.73Å; L334-L340 HydrophobicContact CD1-CD2 3.7Å; L334-L340 HydrophobicContact CG-CD2 4.36Å; L334-L340 PolarHBondContact O-N 2.91Å
335	H	97.7	Very high	96.5	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.06	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-52.9	171.6	175.6	73.9	0	0	0	111.8	W68 L331 W332 Y333 I337 G338 L340 M342	W68-H335 AromaticContact CD1-CE1 3.02Å; W68-H335 AromaticContact CD1-CG 3.95Å; W68-H335 AromaticContact CD1-ND1 3.23Å; W68-H335 AromaticContact CD1-NE2 3.54Å; W68-H335 AromaticContact CG-CE1 3.48Å; W68-H335 VanDerWaalsContact CG-CE1 3.48Å; W68-H335 AromaticContact CG-ND1 3.96Å; W68-H335 AromaticContact NE1-CE1 3.71Å; W68-H335 AromaticContact NE1-ND1 3.41Å; W68-H335 PolarHBondContact NE1-ND1 3.38Å; W68-H335 PolarHBondContact NE1-O 2.99Å; L331-H335 PolarHBondContact O-N 3.33Å; W332-H335 HydrophobicContact CE3-CB 4.11Å; W332-H335 AromaticContact CE3-CD2 3.7Å; W332-H335 AromaticContact CH2-CD2 3.52Å; W332-H335 AromaticContact CH2-NE2 3.84Å; W332-H335 HydrophobicContact CZ3-CB 4.43Å; W332-H335 AromaticContact CZ3-CD2 3.21Å; W332-H335 WeakPolarHBondContact CZ3-CD2 3.22Å; W332-H335 AromaticContact CZ3-CG 3.9Å; W332-H335 AromaticContact CZ3-NE2 3.73Å; W332-H335 WeakPolarHBondContact O-CB 3.46Å; W332-H335 PolarHBondContact O-N 2.84Å; Y333-H335 VanDerWaalsContact C-N 3.26Å; Y333-H335 PolarHBondContact O-N 3.35Å; H335-I337 VanDerWaalsContact C-N 3.3Å; H335-I337 PolarHBondContact O-N 2.86Å; H335-G338 PolarHBondContact O-N 3.13Å; H335-L340 WeakPolarHBondContact CA-O 3.44Å; H335-L340 HydrophobicContact CB-CD1 4.29Å; H335-M342 HydrophobicContact CB-CB 4.07Å; H335-M342 PolarHBondContact ND1-N 2.99Å
336	K	96.3	Very high	96.3	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.448	17%	0.166	S	C	.	.	H	α-helix	trans	-59.2	-37.5	-177.7	-72.7	-174.8	-65.9	179.6	0	113.4	W332 Y333 G338	W332-K336 WeakPolarHBondContact O-CG 3.25Å; W332-K336 PolarHBondContact O-N 3.49Å; Y333-K336 PolarHBondContact O-N 3.37Å; K336-G338 PolarHBondContact O-N 3Å
337	I	96.9	Very high	96.1	Very high	51 Å²	51	34.7 Å²	34.7	26%	0.262	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.5	177.9	72.2	174.8	0	0	0	113.3	N71 A74 Y333 L334 H335 A339	N71-I337 WeakPolarHBondContact CB-O 3.3Å; N71-I337 PolarHBondContact ND2-O 2.74Å; A74-I337 HydrophobicContact CB-CD1 4.24Å; A74-I337 HydrophobicContact CB-CG1 4.25Å; A74-I337 WeakPolarHBondContact CB-O 3.43Å; Y333-I337 HydrophobicContact CD2-CG2 4.27Å; Y333-I337 HydrophobicContact CE1-CD1 3.9Å; Y333-I337 HydrophobicContact CE1-CG2 4.36Å; Y333-I337 HydrophobicContact CE2-CG2 3.74Å; Y333-I337 PolarHBondContact O-N 2.94Å; Y333-I337 VanDerWaalsContact O-N 3.1Å; L334-I337 HydrophobicContact CD2-CD1 4.11Å; L334-I337 WeakPolarHBondContact O-CG1 3.43Å; H335-I337 VanDerWaalsContact C-N 3.3Å; H335-I337 PolarHBondContact O-N 2.86Å; I337-A339 HydrophobicContact CD1-CB 4.04Å; I337-A339 HydrophobicContact CG1-CB 3.88Å
338	G	97.5	Very high	95.2	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	17.5	179	0	0	0	0	0	115	N71 L334 H335 K336	N71-G338 PolarHBondContact N-O 3.44Å; L334-G338 PolarHBondContact O-N 2.76Å; H335-G338 PolarHBondContact O-N 3.13Å; K336-G338 PolarHBondContact O-N 3Å
339	A	98.3	Very high	93.3	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	23%	0.226	C	C	.	.	S	Bend	trans	-78.9	-32.1	179.5	0	0	0	0	0	112.9	A74 L334 I337	A74-A339 HydrophobicContact CB-CB 4.42Å; L334-A339 HydrophobicContact CB-CB 4.39Å; L334-A339 HydrophobicContact CD2-CB 4.4Å; L334-A339 PolarHBondContact O-N 2.87Å; I337-A339 HydrophobicContact CD1-CB 4.04Å; I337-A339 HydrophobicContact CG1-CB 3.88Å
340	L	98.3	Very high	91.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-141.1	162.3	169.9	64.2	82	0	0	0	110.3	W68 V280 L284 V290 I292 L331 L334 H335 M342	W68-L340 VanDerWaalsContact CZ2-C 3.44Å; W68-L340 VanDerWaalsContact CZ2-O 3.24Å; W68-L340 WeakPolarHBondContact CZ2-O 3.27Å; W68-L340 PolarHBondContact NE1-O 2.9Å; V280-L340 HydrophobicContact CG1-CD2 3.89Å; L284-L340 HydrophobicContact CD1-CD2 4.1Å; L284-L340 HydrophobicContact CD2-CB 4.24Å; L284-L340 HydrophobicContact CD2-CD2 4.26Å; V290-L340 HydrophobicContact CB-CB 4.25Å; V290-L340 HydrophobicContact CG1-CB 4.44Å; I292-L340 HydrophobicContact CD1-CD1 3.71Å; I292-L340 HydrophobicContact CG1-CD1 3.98Å; L331-L340 HydrophobicContact CD2-CD2 4.21Å; L334-L340 HydrophobicContact CB-CD2 3.67Å; L334-L340 HydrophobicContact CB-CG 3.73Å; L334-L340 HydrophobicContact CD1-CD2 3.7Å; L334-L340 HydrophobicContact CG-CD2 4.36Å; L334-L340 PolarHBondContact O-N 2.91Å; H335-L340 WeakPolarHBondContact CA-O 3.44Å; H335-L340 HydrophobicContact CB-CD1 4.29Å; L340-M342 HydrophobicContact CD1-CB 4.3Å
341	R	97.8	Very high	88.5	Confident	91 Å²	91	50.4 Å²	50.4	34%	0.343	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.7	170.2	-177.4	175.1	170	170.5	-3.1	109.7	W68 V290 A291 I292	W68-R341 HydrophobicContact CD2-CB 4.05Å; W68-R341 HydrophobicContact CD2-CG 4.04Å; W68-R341 HydrophobicContact CE3-CB 4Å; W68-R341 HydrophobicContact CE3-CG 3.97Å; W68-R341 HydrophobicContact CH2-CB 3.79Å; W68-R341 HydrophobicContact CZ2-CB 3.86Å; W68-R341 HydrophobicContact CZ3-CB 3.87Å; W68-R341 HydrophobicContact CZ3-CG 4.28Å; V290-R341 PolarHBondContact O-N 2.78Å; A291-R341 CarbonylContact C-O 3.48Å; A291-R341 VanDerWaalsContact CA-O 3.29Å; A291-R341 WeakPolarHBondContact CA-O 3.26Å; A291-R341 HydrophobicContact CB-CB 4.41Å; I292-R341 PolarHBondContact N-O 2.92Å
342	M	97.4	Very high	85.8	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.034	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.4	167.9	-173.7	-174.4	-73.3	0	0	107.7	I292 F328 L331 W332 H335 L340 L344	I292-M342 HydrophobicContact CD1-CB 4.06Å; I292-M342 HydrophobicContact CD1-CE 3.72Å; I292-M342 HydrophobicContact CD1-CG 3.95Å; I292-M342 HydrophobicContact CG1-CB 3.84Å; I292-M342 HydrophobicContact CG1-CG 3.83Å; F328-M342 HydrophobicContact CD2-CE 4.16Å; F328-M342 HydrophobicContact CD2-SD 4.23Å; F328-M342 HydrophobicContact CE2-CE 4.04Å; F328-M342 HydrophobicContact CE2-SD 3.56Å; F328-M342 VanDerWaalsContact CE2-SD 3.56Å; F328-M342 HydrophobicContact CZ-SD 4.23Å; L331-M342 HydrophobicContact CB-CE 3.37Å; W332-M342 HydrophobicContact CE3-CE 4.5Å; W332-M342 HydrophobicContact CE3-SD 3.79Å; W332-M342 HydrophobicContact CZ3-SD 4.3Å; H335-M342 HydrophobicContact CB-CB 4.07Å; H335-M342 PolarHBondContact ND1-N 2.99Å; L340-M342 HydrophobicContact CD1-CB 4.3Å; M342-L344 HydrophobicContact CG-CD1 4.39Å; M342-L344 HydrophobicContact CG-CD2 3.94Å; M342-L344 HydrophobicContact CG-CG 3.92Å; M342-L344 HydrophobicContact SD-CD1 3.82Å; M342-L344 HydrophobicContact SD-CD2 3.83Å; M342-L344 HydrophobicContact SD-CG 3.93Å
343	Q	95.7	Very high	82.8	Confident	18 Å²	18	64 Å²	64	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.9	175.7	-174.2	67.3	36.6	0	0	108.9	I292 Y293 D345	I292-Q343 PolarHBondContact O-N 2.93Å; Y293-Q343 HydrophobicContact CD1-CB 3.5Å; Y293-Q343 VanDerWaalsContact CD1-CB 3.5Å; Y293-Q343 HydrophobicContact CD1-CG 3.8Å; Y293-Q343 HydrophobicContact CE1-CB 3.54Å; Y293-Q343 HydrophobicContact CE1-CG 3.7Å; Y293-Q343 HydrophobicContact CG-CB 4.3Å; Q343-D345 PolarHBondContact NE2-O 2.84Å
344	L	92.3	Very high	80	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.079	34%	0.338	C	S	.	.			trans	-117	-29.5	178.9	-63.8	177.9	0	0	0	112.7	V61 W296 M302 F328 W332 M342	V61-L344 HydrophobicContact CG1-CD1 3.73Å; V61-L344 HydrophobicContact CG2-CD1 4.19Å; W296-L344 HydrophobicContact CE3-CD1 4.43Å; W296-L344 HydrophobicContact CE3-CD2 4.1Å; W296-L344 HydrophobicContact CZ3-CD1 4.49Å; M302-L344 HydrophobicContact CE-CB 3.9Å; M302-L344 HydrophobicContact CE-CD1 3.83Å; M302-L344 HydrophobicContact CE-CG 4.31Å; F328-L344 HydrophobicContact CE2-CD1 4.41Å; F328-L344 HydrophobicContact CZ-CD1 4.39Å; W332-L344 HydrophobicContact CE3-CD1 4.22Å; W332-L344 HydrophobicContact CH2-CD1 4.43Å; W332-L344 HydrophobicContact CZ3-CD1 3.73Å; M342-L344 HydrophobicContact CG-CD1 4.39Å; M342-L344 HydrophobicContact CG-CD2 3.94Å; M342-L344 HydrophobicContact CG-CG 3.92Å; M342-L344 HydrophobicContact SD-CD1 3.82Å; M342-L344 HydrophobicContact SD-CD2 3.83Å; M342-L344 HydrophobicContact SD-CG 3.93Å
345	D	87.5	Confident	77.2	Confident	64 Å²	64	70.5 Å²	70.5	34%	0.342	38%	0.381	S	S	.	.	S	Bend	trans	-80.1	160	175	-59.5	-50.9	0	0	0	111.6	Q343 C347	Q343-D345 PolarHBondContact NE2-O 2.84Å; D345-C347 PolarHBondContact O-N 3.05Å
346	P	90.8	Very high	74.3	Confident	91 Å²	91	78.5 Å²	78.5	59%	0.591	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-51.5	141.9	165.5	-24.1	34.5	0	0	0	111.1	S150	S150-P346 CarbonylContact O-C 3.46Å; S150-P346 VanDerWaalsContact O-CA 3.31Å; S150-P346 WeakPolarHBondContact O-CA 3.28Å
347	C	92.4	Very high	73.2	Confident	13 Å²	13	77.3 Å²	77.3	9%	0.088	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-82	128.4	173.9	-65.6	0	0	0	0	108.9	S150 C152 Q155 D345	S150-C347 PolarHBondContact O-N 2.86Å; C152-C347 WeakPolarHBondContact CA-SG 3.38Å; C152-C347 HydrophobicContact CB-CB 3.89Å; C152-C347 WeakPolarHBondContact CB-SG 3.49Å; C152-C347 WeakPolarHBondContact SG-CB 3.32Å; C152-C347 PolarHBondContact SG-N 2.95Å; C152-C347 CovalentContact SG-SG 2.04Å; C152-C347 PolarHBondContact SG-SG 3.02Å; Q155-C347 PolarHBondContact OE1-SG 3.1Å; Q155-C347 VanDerWaalsContact OE1-SG 3.34Å; D345-C347 PolarHBondContact O-N 3.05Å
348	E	78.1	Confident	71.9	Confident	171 Å²	171	78.7 Å²	78.7	80%	0.799	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-65.4	137	176.1	-67.8	-178.9	174.8	0	0	110.7	T350	E348-T350 PolarHBondContact O-N 3.02Å; E348-T350 VanDerWaalsContact O-N 3.15Å
349	D	57.8	Low	70.5	Confident	89 Å²	89	82.9 Å²	82.9	48%	0.476	47%	0.472	S	S	.	.			trans	-69	108.4	162.1	-89.6	-39.2	0	0	0	107.5	S351 L352	D349-S351 PolarHBondContact O-N 3.38Å; D349-L352 PolarHBondContact O-N 3.35Å
350	T	51.1	Low	68.9	Low	84 Å²	84	87.4 Å²	87.4	52%	0.515	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-60.9	6.5	174.4	26.2	0	0	0	0	113.9	E348 L352	E348-T350 PolarHBondContact O-N 3.02Å; E348-T350 VanDerWaalsContact O-N 3.15Å; T350-L352 VanDerWaalsContact C-N 3.3Å
351	S	43.3	Very low	67	Low	89 Å²	89	92.7 Å²	92.7	62%	0.622	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-79.4	-5	170.8	56.6	0	0	0	0	114.2	D349	D349-S351 PolarHBondContact O-N 3.38Å
352	L	41.1	Very low	65	Low	150 Å²	150	92.8 Å²	92.8	79%	0.785	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-114.2	23.4	-179.9	-75.3	168.7	0	0	0	114.3	D349 T350 P354	D349-L352 PolarHBondContact O-N 3.35Å; T350-L352 VanDerWaalsContact C-N 3.3Å; L352-P354 VanDerWaalsContact O-CD 3.26Å; L352-P354 WeakPolarHBondContact O-CD 3.5Å
353	Q	34.3	Very low	62.7	Low	158 Å²	158	98.9 Å²	98.9	74%	0.738	57%	0.574	S	S	*	*			trans	-75.3	115.1	159.2	-76.1	-162.6	-23.8	0	0	108.3	T355	Q353-T355 PolarHBondContact O-N 3.06Å
354	P	36.9	Very low	60.1	Low	111 Å²	111	105.2 Å²	105.2	72%	0.721	61%	0.612	S	S	*	*			trans	-62.4	125.9	167	-2.7	18.2	0	0	0	106.3	L352 S356	L352-P354 VanDerWaalsContact O-CD 3.26Å; L352-P354 WeakPolarHBondContact O-CD 3.5Å; P354-S356 PolarHBondContact O-N 3.42Å
355	T	40.3	Very low	57.5	Low	150 Å²	150	112.7 Å²	112.7	92%	0.92	66%	0.656	S	S	*	*			trans	-62.1	106.9	159.7	35.2	0	0	0	0	106.5	Q353	Q353-T355 PolarHBondContact O-N 3.06Å
356	S	36	Very low	54.7	Low	182 Å²	182	117.1 Å²	117.1	100%	1.273	68%	0.684	S	S	*	*			trans	-123.9	0	168.1	66.6	0	0	0	0	109.4	P354	P354-S356 PolarHBondContact O-N 3.42Å

Retrieved 356 of 356 residues in 127.9 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).