G7N6I4_MACMU Loading...

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

AlphaFold DB , UniProt , Accession G7N6I4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ST8SIA1, Length 356 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 159.8 ms (Link to these results)

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