A0A5K4FDW4_SCHMA Loading...

Dyp-type peroxidase

AlphaFold DB , UniProt , Accession A0A5K4FDW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	31.6	Very low	245 Å²	245	171.1 Å²	171.1	100%	1.207	84%	0.841	S	S	*	*				0	139.6	0	-75.9	176	-140.6	0	0	108.4
2	R	31.5	Very low	32.1	Very low	241 Å²	241	171.6 Å²	171.6	91%	0.909	84%	0.835	S	S	*	*			trans	-55.3	135.3	-175.6	-69.6	175	176.4	-179.1	-1.8	112
3	H	32.4	Very low	32.5	Very low	190 Å²	190	162.4 Å²	162.4	88%	0.88	81%	0.812	S	S	*	*			trans	-132.2	121.1	145.8	-103.3	-77.9	0	0	0	109.2
4	Q	27.4	Very low	33.1	Very low	162 Å²	162	163.5 Å²	163.5	76%	0.757	81%	0.81	S	S	*	*			trans	-61.6	149.5	164.6	-64.2	159.5	-48.8	0	0	109.4
5	N	31.3	Very low	34	Very low	140 Å²	140	157.1 Å²	157.1	75%	0.749	79%	0.794	S	S	*	*				178.5	129.9	109.5	-87.9	-25.2	0	0	0	113.8
6	C	31.7	Very low	35.1	Very low	113 Å²	113	153.3 Å²	153.3	76%	0.764	77%	0.774	S	S	*	*			trans	51.3	108.2	137.8	-60.6	0	0	0	0	121.3
7	F	25.1	Very low	35.7	Very low	185 Å²	185	153.8 Å²	153.8	81%	0.811	77%	0.771	S	S	*	*			trans	-47.5	140.7	144.4	-79.1	-94.2	0	0	0	113.3
8	P	34	Very low	36.7	Very low	123 Å²	123	150 Å²	150	80%	0.799	76%	0.761	S	S	*	*			trans	-102.3	107.5	145.6	29.2	-15.8	0	0	0	109.5
9	K	30.6	Very low	37.5	Very low	192 Å²	192	150.2 Å²	150.2	84%	0.835	76%	0.756	S	S	*	*			trans	-86.4	102	163.5	-75.7	-179.5	176.2	179.1	0	108.2
10	S	34	Very low	38.5	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	74%	0.743	S	S	*	*			trans	-171.1	-2.8	151.7	66.7	0	0	0	0	117.7
11	F	36.7	Very low	39.1	Very low	190 Å²	190	147.4 Å²	147.4	83%	0.833	74%	0.738	S	S	*	*	S	Bend	trans	-89.6	-6.7	-175.1	-98.2	-88.7	0	0	0	117
12	F	38.3	Very low	39.8	Very low	177 Å²	177	137.2 Å²	137.2	78%	0.776	70%	0.696	S	S	*	*	H	α-helix	trans	-81.8	-14.4	-175.7	-116.6	-93.6	0	0	0	115.1	I16	F12-I16 HydrophobicContact CD1-CD1 4.41Å
13	G	36.9	Very low	40.7	Very low	52 Å²	52	128.5 Å²	128.5	54%	0.536	67%	0.672	S	S	.	*	H	α-helix	trans	-79.2	-25	-175.4	0	0	0	0	0	115.4
14	F	41.4	Very low	42.2	Very low	178 Å²	178	124.2 Å²	124.2	78%	0.781	65%	0.654	S	S	*	*	H	α-helix	trans	-88	-32.7	-174.9	-141.3	-94.3	0	0	0	112.7	S18	F14-S18 PolarHBondContact O-N 3.14Å
15	A	46.9	Very low	43.4	Very low	68 Å²	68	121.6 Å²	121.6	56%	0.562	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-38.3	179.8	0	0	0	0	0	112.8	S18 F19	A15-S18 PolarHBondContact O-N 2.87Å; A15-F19 PolarHBondContact O-N 2.92Å; A15-F19 VanDerWaalsContact O-N 3.15Å
16	I	50.3	Low	44.5	Very low	95 Å²	95	121.5 Å²	121.5	49%	0.487	64%	0.638	S	S	.	*	H	α-helix	trans	-68.7	-39.7	-179.2	-62.7	172.9	0	0	0	111.4	F12 F19 I20	F12-I16 HydrophobicContact CD1-CD1 4.41Å; I16-F19 PolarHBondContact O-N 3.03Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.44Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.29Å
17	K	46.7	Very low	45.8	Very low	163 Å²	163	121.7 Å²	121.7	71%	0.709	63%	0.63	S	S	*	*	H	α-helix	trans	-66.7	-39.1	178.7	-77.3	-171.5	176.6	-175.1	0	112.5	F21	K17-F21 WeakPolarHBondContact O-CB 3.35Å; K17-F21 PolarHBondContact O-N 2.81Å; K17-F21 VanDerWaalsContact O-N 3.11Å
18	S	53.3	Low	47.4	Very low	85 Å²	85	115.2 Å²	115.2	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-68.3	-36.8	178.1	-165.6	0	0	0	0	111.8	F14 A15 G22	F14-S18 PolarHBondContact O-N 3.14Å; A15-S18 PolarHBondContact O-N 2.87Å; S18-G22 PolarHBondContact O-N 3.22Å
19	F	52.5	Low	48.8	Very low	154 Å²	154	113.2 Å²	113.2	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-68.1	-43.3	176.9	-158.9	-96.2	0	0	0	112.7	A15 I16 F21 G22 C23	A15-F19 PolarHBondContact O-N 2.92Å; A15-F19 VanDerWaalsContact O-N 3.15Å; I16-F19 PolarHBondContact O-N 3.03Å; F19-F21 PolarHBondContact O-N 3.44Å; F19-G22 PolarHBondContact O-N 3.16Å; F19-C23 PolarHBondContact O-N 3.47Å
20	I	57.5	Low	50.4	Low	94 Å²	94	109.3 Å²	109.3	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-63.8	-42.8	177.2	-66.6	168.7	0	0	0	110.8	I16 C23 I24	I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.44Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.29Å; I20-C23 PolarHBondContact O-N 2.87Å; I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 HydrophobicContact CG2-CG1 4.47Å; I20-I24 WeakPolarHBondContact O-CG1 3.12Å; I20-I24 PolarHBondContact O-N 3.3Å
21	F	50.9	Low	51.6	Low	147 Å²	147	111 Å²	111	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-66.3	-39.3	178.8	-145.2	-93.7	0	0	0	111.8	K17 F19 I24 M25	K17-F21 WeakPolarHBondContact O-CB 3.35Å; K17-F21 PolarHBondContact O-N 2.81Å; K17-F21 VanDerWaalsContact O-N 3.11Å; F19-F21 PolarHBondContact O-N 3.44Å; F21-I24 PolarHBondContact O-N 3.29Å; F21-M25 HydrophobicContact CD1-CG 4.12Å; F21-M25 HydrophobicContact CE1-CG 4.25Å; F21-M25 HydrophobicContact CE1-SD 4.39Å; F21-M25 VanDerWaalsContact O-CG 3.28Å; F21-M25 WeakPolarHBondContact O-CG 3.36Å; F21-M25 PolarHBondContact O-N 3.47Å
22	G	45.8	Very low	52.5	Low	32 Å²	32	105.7 Å²	105.7	33%	0.33	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-43.4	173.6	0	0	0	0	0	113.3	S18 F19 M25 H26	S18-G22 PolarHBondContact O-N 3.22Å; F19-G22 PolarHBondContact O-N 3.16Å; G22-M25 PolarHBondContact O-N 2.77Å; G22-H26 PolarHBondContact O-N 2.8Å
23	C	52	Low	53.4	Low	58 Å²	58	101 Å²	101	39%	0.392	55%	0.548	S	S	.	.	H	α-helix	trans	-65.3	-42	176.6	-77	0	0	0	0	112.9	F19 I20 H26 L27	F19-C23 PolarHBondContact O-N 3.47Å; I20-C23 PolarHBondContact O-N 2.87Å; C23-H26 PolarHBondContact O-N 3.41Å; C23-L27 WeakPolarHBondContact O-CB 3.24Å; C23-L27 WeakPolarHBondContact O-CG 3.28Å; C23-L27 PolarHBondContact O-N 2.8Å
24	I	62.6	Low	54.4	Low	99 Å²	99	105.8 Å²	105.8	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-64.2	-42	178.1	-67.4	168.3	0	0	0	110.6	I20 F21 L27 A28	I20-I24 HydrophobicContact CG2-CD1 3.8Å; I20-I24 HydrophobicContact CG2-CG1 4.47Å; I20-I24 WeakPolarHBondContact O-CG1 3.12Å; I20-I24 PolarHBondContact O-N 3.3Å; F21-I24 PolarHBondContact O-N 3.29Å; I24-L27 PolarHBondContact O-N 3.25Å; I24-A28 WeakPolarHBondContact O-CB 3.12Å; I24-A28 PolarHBondContact O-N 3.39Å
25	M	53.4	Low	55.3	Low	108 Å²	108	100.6 Å²	100.6	53%	0.532	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.4	-68.6	-62.6	-68.1	0	0	112	F21 G22 A28 V29	F21-M25 HydrophobicContact CD1-CG 4.12Å; F21-M25 HydrophobicContact CE1-CG 4.25Å; F21-M25 HydrophobicContact CE1-SD 4.39Å; F21-M25 VanDerWaalsContact O-CG 3.28Å; F21-M25 WeakPolarHBondContact O-CG 3.36Å; F21-M25 PolarHBondContact O-N 3.47Å; G22-M25 PolarHBondContact O-N 2.77Å; M25-A28 PolarHBondContact O-N 3.25Å; M25-V29 WeakPolarHBondContact O-CG2 3.34Å; M25-V29 PolarHBondContact O-N 3.47Å
26	H	53.8	Low	55.5	Low	137 Å²	137	101.7 Å²	101.7	63%	0.634	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-41.8	175.1	-94.9	-66.8	0	0	0	112.8	G22 C23 V29 L30	G22-H26 PolarHBondContact O-N 2.8Å; C23-H26 PolarHBondContact O-N 3.41Å; H26-V29 PolarHBondContact O-N 3.49Å; H26-L30 WeakPolarHBondContact O-CB 3.3Å; H26-L30 WeakPolarHBondContact O-CG 3.37Å; H26-L30 PolarHBondContact O-N 3.49Å
27	L	59.7	Low	55.2	Low	117 Å²	117	104.9 Å²	104.9	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-63.8	-41.1	175.2	-76.9	165.1	0	0	0	111.7	C23 I24 L30 F31	C23-L27 WeakPolarHBondContact O-CB 3.24Å; C23-L27 WeakPolarHBondContact O-CG 3.28Å; C23-L27 PolarHBondContact O-N 2.8Å; I24-L27 PolarHBondContact O-N 3.25Å; L27-L30 PolarHBondContact O-N 3.35Å; L27-F31 VanDerWaalsContact O-CB 3.27Å; L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.45Å
28	A	59.1	Low	55.1	Low	49 Å²	49	98.6 Å²	98.6	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-40	177.4	0	0	0	0	0	112.4	I24 M25 T32	I24-A28 WeakPolarHBondContact O-CB 3.12Å; I24-A28 PolarHBondContact O-N 3.39Å; M25-A28 PolarHBondContact O-N 3.25Å; A28-T32 WeakPolarHBondContact O-CB 3.41Å; A28-T32 PolarHBondContact O-N 2.86Å; A28-T32 PolarHBondContact O-OG1 2.93Å
29	V	63.3	Low	54.3	Low	82 Å²	82	101.6 Å²	101.6	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-46	174.7	174.3	0	0	0	0	110.6	M25 H26 F31 T32 T33	M25-V29 WeakPolarHBondContact O-CG2 3.34Å; M25-V29 PolarHBondContact O-N 3.47Å; H26-V29 PolarHBondContact O-N 3.49Å; V29-F31 VanDerWaalsContact C-N 3.34Å; V29-F31 PolarHBondContact O-N 3.43Å; V29-T32 WeakPolarHBondContact CA-OG1 3.37Å; V29-T32 PolarHBondContact O-N 2.88Å; V29-T32 PolarHBondContact O-OG1 2.99Å; V29-T33 PolarHBondContact O-N 3.35Å; V29-T33 PolarHBondContact O-OG1 3.35Å
30	L	62.9	Low	53.2	Low	110 Å²	110	99.6 Å²	99.6	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-61.3	-42.8	177.1	-73.1	171.2	0	0	0	111.9	H26 L27 T33 Y34	H26-L30 WeakPolarHBondContact O-CB 3.3Å; H26-L30 WeakPolarHBondContact O-CG 3.37Å; H26-L30 PolarHBondContact O-N 3.49Å; L27-L30 PolarHBondContact O-N 3.35Å; L30-T33 VanDerWaalsContact CA-OG1 3.31Å; L30-T33 WeakPolarHBondContact CA-OG1 3.47Å; L30-T33 PolarHBondContact O-N 2.97Å; L30-T33 PolarHBondContact O-OG1 3.41Å; L30-Y34 WeakPolarHBondContact O-CB 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å
31	F	58.9	Low	52.3	Low	136 Å²	136	100.4 Å²	100.4	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-67.3	-40.2	179.2	-155.6	-103.6	0	0	0	111.9	L27 V29 Y34 I35	L27-F31 VanDerWaalsContact O-CB 3.27Å; L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.45Å; V29-F31 VanDerWaalsContact C-N 3.34Å; V29-F31 PolarHBondContact O-N 3.43Å; F31-Y34 PolarHBondContact O-N 2.73Å; F31-I35 HydrophobicContact CD1-CD1 3.52Å; F31-I35 HydrophobicContact CD1-CG1 4.28Å; F31-I35 HydrophobicContact CE1-CD1 3.57Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 VanDerWaalsContact O-CG1 3.28Å; F31-I35 WeakPolarHBondContact O-CG1 3.39Å; F31-I35 PolarHBondContact O-N 3.33Å
32	T	57.2	Low	51.7	Low	78 Å²	78	97.9 Å²	97.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-41.6	174.5	42	0	0	0	0	112	A28 V29 Y34 I35 V36	A28-T32 WeakPolarHBondContact O-CB 3.41Å; A28-T32 PolarHBondContact O-N 2.86Å; A28-T32 PolarHBondContact O-OG1 2.93Å; V29-T32 WeakPolarHBondContact CA-OG1 3.37Å; V29-T32 PolarHBondContact O-N 2.88Å; V29-T32 PolarHBondContact O-OG1 2.99Å; T32-Y34 VanDerWaalsContact C-N 3.31Å; T32-Y34 PolarHBondContact O-N 2.73Å; T32-I35 PolarHBondContact O-N 2.97Å; T32-V36 WeakPolarHBondContact O-CB 3.28Å; T32-V36 VanDerWaalsContact O-CG2 3.25Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.48Å
33	T	57	Low	51	Low	78 Å²	78	98.8 Å²	98.8	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-37.2	172.6	44.4	0	0	0	0	112.4	V29 L30 V36 Y37	V29-T33 PolarHBondContact O-N 3.35Å; V29-T33 PolarHBondContact O-OG1 3.35Å; L30-T33 VanDerWaalsContact CA-OG1 3.31Å; L30-T33 WeakPolarHBondContact CA-OG1 3.47Å; L30-T33 PolarHBondContact O-N 2.97Å; L30-T33 PolarHBondContact O-OG1 3.41Å; T33-V36 PolarHBondContact O-N 3.29Å; T33-Y37 WeakPolarHBondContact O-CB 3.47Å; T33-Y37 PolarHBondContact O-N 3.24Å
34	Y	57.2	Low	50.2	Low	154 Å²	154	101.7 Å²	101.7	60%	0.604	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-44.5	175.1	179.8	-99.9	0	0	0	111.5	L30 F31 T32 V36 Y37 S38	L30-Y34 WeakPolarHBondContact O-CB 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å; F31-Y34 PolarHBondContact O-N 2.73Å; T32-Y34 VanDerWaalsContact C-N 3.31Å; T32-Y34 PolarHBondContact O-N 2.73Å; Y34-V36 PolarHBondContact O-N 3.5Å; Y34-Y37 PolarHBondContact O-N 2.75Å; Y34-S38 VanDerWaalsContact O-CB 3.26Å; Y34-S38 WeakPolarHBondContact O-CB 3.35Å; Y34-S38 PolarHBondContact O-N 2.95Å; Y34-S38 PolarHBondContact O-OG 2.9Å; Y34-S38 VanDerWaalsContact O-OG 3.08Å
35	I	60.5	Low	49.1	Very low	69 Å²	69	101 Å²	101	35%	0.354	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-44.5	175	-70.4	166.9	0	0	0	110.9	F31 T32 K39	F31-I35 HydrophobicContact CD1-CD1 3.52Å; F31-I35 HydrophobicContact CD1-CG1 4.28Å; F31-I35 HydrophobicContact CE1-CD1 3.57Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 VanDerWaalsContact O-CG1 3.28Å; F31-I35 WeakPolarHBondContact O-CG1 3.39Å; F31-I35 PolarHBondContact O-N 3.33Å; T32-I35 PolarHBondContact O-N 2.97Å; I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 HydrophobicContact CG2-CG 4.44Å; I35-K39 VanDerWaalsContact O-CB 3.3Å; I35-K39 WeakPolarHBondContact O-CB 3.31Å; I35-K39 WeakPolarHBondContact O-CG 3.38Å; I35-K39 PolarHBondContact O-N 3.29Å
36	V	50.6	Low	48.3	Very low	91 Å²	91	100.6 Å²	100.6	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-64.2	-45.9	178.1	171.5	0	0	0	0	110	T32 T33 Y34 K39 H40	T32-V36 WeakPolarHBondContact O-CB 3.28Å; T32-V36 VanDerWaalsContact O-CG2 3.25Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.48Å; T33-V36 PolarHBondContact O-N 3.29Å; Y34-V36 PolarHBondContact O-N 3.5Å; V36-K39 PolarHBondContact O-N 3.03Å; V36-H40 WeakPolarHBondContact O-CB 3.4Å; V36-H40 PolarHBondContact O-N 3.13Å
37	Y	44.1	Very low	47.4	Very low	161 Å²	161	98.4 Å²	98.4	63%	0.631	50%	0.496	S	S	*	.	H	α-helix	trans	-62.9	-45.4	177.3	-175.9	-97.4	0	0	0	112.2	T33 Y34 H40 K41	T33-Y37 WeakPolarHBondContact O-CB 3.47Å; T33-Y37 PolarHBondContact O-N 3.24Å; Y34-Y37 PolarHBondContact O-N 2.75Å; Y37-H40 PolarHBondContact O-N 3.46Å; Y37-K41 HydrophobicContact CE1-CD 4.49Å; Y37-K41 VanDerWaalsContact O-CB 3.3Å; Y37-K41 WeakPolarHBondContact O-CB 3.1Å; Y37-K41 PolarHBondContact O-N 2.68Å
38	S	45.7	Very low	46.3	Very low	31 Å²	31	97.5 Å²	97.5	22%	0.217	49%	0.491	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.3	-68	0	0	0	0	111.7	Y34 K41 I42	Y34-S38 VanDerWaalsContact O-CB 3.26Å; Y34-S38 WeakPolarHBondContact O-CB 3.35Å; Y34-S38 PolarHBondContact O-N 2.95Å; Y34-S38 PolarHBondContact O-OG 2.9Å; Y34-S38 VanDerWaalsContact O-OG 3.08Å; S38-K41 PolarHBondContact O-N 3.04Å; S38-I42 WeakPolarHBondContact O-CB 3.47Å; S38-I42 WeakPolarHBondContact O-CD1 3.49Å; S38-I42 WeakPolarHBondContact O-CG1 3.41Å; S38-I42 PolarHBondContact O-N 2.73Å
39	K	35.7	Very low	45.3	Very low	148 Å²	148	98.4 Å²	98.4	64%	0.643	49%	0.486	S	S	*	.	H	α-helix	trans	-64.4	-39.9	172.9	-79.7	-172.2	175.1	-171.9	0	112.2	I35 V36 S43	I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 HydrophobicContact CG2-CG 4.44Å; I35-K39 VanDerWaalsContact O-CB 3.3Å; I35-K39 WeakPolarHBondContact O-CB 3.31Å; I35-K39 WeakPolarHBondContact O-CG 3.38Å; I35-K39 PolarHBondContact O-N 3.29Å; V36-K39 PolarHBondContact O-N 3.03Å; K39-S43 WeakPolarHBondContact O-CB 3.1Å; K39-S43 PolarHBondContact O-N 3.15Å
40	H	28.9	Very low	44.1	Very low	112 Å²	112	97.5 Å²	97.5	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-69	-38.4	178.6	-131.7	-38.6	0	0	0	111.2	V36 Y37 S43 F44	V36-H40 WeakPolarHBondContact O-CB 3.4Å; V36-H40 PolarHBondContact O-N 3.13Å; Y37-H40 PolarHBondContact O-N 3.46Å; H40-S43 PolarHBondContact O-N 3.3Å; H40-F44 AromaticContact ND1-CD2 3.7Å; H40-F44 VanDerWaalsContact O-CB 3.28Å; H40-F44 WeakPolarHBondContact O-CB 3.42Å; H40-F44 PolarHBondContact O-N 3.43Å
41	K	38.6	Very low	42.9	Very low	111 Å²	111	98.1 Å²	98.1	48%	0.483	49%	0.49	S	S	.	.	H	α-helix	trans	-66.5	-48.4	174.8	-171.4	179.8	173.6	-170.3	0	111.2	Y37 S38 S43 F44 E45	Y37-K41 HydrophobicContact CE1-CD 4.49Å; Y37-K41 VanDerWaalsContact O-CB 3.3Å; Y37-K41 WeakPolarHBondContact O-CB 3.1Å; Y37-K41 PolarHBondContact O-N 2.68Å; S38-K41 PolarHBondContact O-N 3.04Å; K41-S43 VanDerWaalsContact C-N 3.31Å; K41-S43 PolarHBondContact O-N 3.09Å; K41-F44 PolarHBondContact O-N 3.48Å; K41-E45 WeakPolarHBondContact CE-OE1 3.5Å; K41-E45 IonicContact NZ-OE1 2.82Å; K41-E45 VanDerWaalsContact O-CB 3.26Å; K41-E45 WeakPolarHBondContact O-CB 3.3Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 3.01Å
42	I	39.1	Very low	42.2	Very low	94 Å²	94	94.4 Å²	94.4	48%	0.482	49%	0.485	S	S	.	.	H	α-helix	trans	-60.2	-41.9	174	-67.3	162.4	0	0	0	110.6	S38 N46	S38-I42 WeakPolarHBondContact O-CB 3.47Å; S38-I42 WeakPolarHBondContact O-CD1 3.49Å; S38-I42 WeakPolarHBondContact O-CG1 3.41Å; S38-I42 PolarHBondContact O-N 2.73Å; I42-N46 VanDerWaalsContact O-CB 3.24Å; I42-N46 WeakPolarHBondContact O-CB 3.07Å; I42-N46 PolarHBondContact O-N 2.9Å; I42-N46 PolarHBondContact O-ND2 2.89Å
43	S	31.7	Very low	41.8	Very low	52 Å²	52	92.7 Å²	92.7	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-69.6	-38.1	177.7	-175.6	0	0	0	0	112.3	K39 H40 K41 N46 I47	K39-S43 WeakPolarHBondContact O-CB 3.1Å; K39-S43 PolarHBondContact O-N 3.15Å; H40-S43 PolarHBondContact O-N 3.3Å; K41-S43 VanDerWaalsContact C-N 3.31Å; K41-S43 PolarHBondContact O-N 3.09Å; S43-N46 PolarHBondContact O-N 3.2Å; S43-I47 WeakPolarHBondContact O-CB 3.23Å; S43-I47 WeakPolarHBondContact O-CD1 3Å; S43-I47 WeakPolarHBondContact O-CG1 3.33Å; S43-I47 PolarHBondContact O-N 3.15Å
44	F	34.1	Very low	41.3	Very low	118 Å²	118	93.5 Å²	93.5	52%	0.518	48%	0.479	S	S	.	.	H	α-helix	trans	-71.5	-40.9	176.9	-114.3	-88.8	0	0	0	111.1	H40 K41 I47 L48	H40-F44 AromaticContact ND1-CD2 3.7Å; H40-F44 VanDerWaalsContact O-CB 3.28Å; H40-F44 WeakPolarHBondContact O-CB 3.42Å; H40-F44 PolarHBondContact O-N 3.43Å; K41-F44 PolarHBondContact O-N 3.48Å; F44-I47 PolarHBondContact O-N 3.13Å; F44-L48 HydrophobicContact CD1-CD1 4.13Å; F44-L48 WeakPolarHBondContact O-CB 2.77Å; F44-L48 PolarHBondContact O-N 3.35Å
45	E	40.5	Very low	41.1	Very low	86 Å²	86	91.6 Å²	91.6	40%	0.402	48%	0.483	S	S	.	.	H	α-helix	trans	-57.8	-50.4	170.5	-77.6	175.8	177.3	0	0	108.7	K41 I47 L48 F49	K41-E45 WeakPolarHBondContact CE-OE1 3.5Å; K41-E45 IonicContact NZ-OE1 2.82Å; K41-E45 VanDerWaalsContact O-CB 3.26Å; K41-E45 WeakPolarHBondContact O-CB 3.3Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 3.01Å; E45-I47 VanDerWaalsContact C-N 3.34Å; E45-I47 PolarHBondContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.1Å; E45-F49 HydrophobicContact CB-CD2 4.09Å; E45-F49 HydrophobicContact CB-CE2 3.68Å; E45-F49 VanDerWaalsContact O-CB 3.25Å; E45-F49 WeakPolarHBondContact O-CB 3.39Å; E45-F49 WeakPolarHBondContact O-CD2 3.1Å; E45-F49 WeakPolarHBondContact O-CG 2.8Å; E45-F49 PolarHBondContact O-N 2.82Å
46	N	35.1	Very low	41.3	Very low	98 Å²	98	92 Å²	92	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-33.6	176	-71.8	-12.2	0	0	0	114.8	I42 S43 A50	I42-N46 VanDerWaalsContact O-CB 3.24Å; I42-N46 WeakPolarHBondContact O-CB 3.07Å; I42-N46 PolarHBondContact O-N 2.9Å; I42-N46 PolarHBondContact O-ND2 2.89Å; S43-N46 PolarHBondContact O-N 3.2Å; N46-A50 PolarHBondContact O-N 2.88Å; N46-A50 VanDerWaalsContact O-N 3.16Å
47	I	36.7	Very low	42.6	Very low	92 Å²	92	88.7 Å²	88.7	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-77.5	-41.1	177.6	-70.2	163.5	0	0	0	110.9	S43 F44 E45 F49 A50	S43-I47 WeakPolarHBondContact O-CB 3.23Å; S43-I47 WeakPolarHBondContact O-CD1 3Å; S43-I47 WeakPolarHBondContact O-CG1 3.33Å; S43-I47 PolarHBondContact O-N 3.15Å; F44-I47 PolarHBondContact O-N 3.13Å; E45-I47 VanDerWaalsContact C-N 3.34Å; E45-I47 PolarHBondContact O-N 3.09Å; I47-F49 VanDerWaalsContact C-N 3.29Å; I47-A50 PolarHBondContact O-N 3.12Å
48	L	34.6	Very low	45	Very low	97 Å²	97	83.9 Å²	83.9	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-65.6	-35.4	172	-114.5	114.2	0	0	0	111.3	F44 E45 A50	F44-L48 HydrophobicContact CD1-CD1 4.13Å; F44-L48 WeakPolarHBondContact O-CB 2.77Å; F44-L48 PolarHBondContact O-N 3.35Å; E45-L48 PolarHBondContact O-N 3.1Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.75Å
49	F	38.6	Very low	47.4	Very low	69 Å²	69	82.9 Å²	82.9	30%	0.303	45%	0.45	S	S	.	.	H	α-helix	trans	-58.3	-44.4	172.2	-76.4	-53.6	0	0	0	110.1	E45 I47 D51 Y53 L215	E45-F49 HydrophobicContact CB-CD2 4.09Å; E45-F49 HydrophobicContact CB-CE2 3.68Å; E45-F49 VanDerWaalsContact O-CB 3.25Å; E45-F49 WeakPolarHBondContact O-CB 3.39Å; E45-F49 WeakPolarHBondContact O-CD2 3.1Å; E45-F49 WeakPolarHBondContact O-CG 2.8Å; E45-F49 PolarHBondContact O-N 2.82Å; I47-F49 VanDerWaalsContact C-N 3.29Å; F49-D51 PolarHBondContact O-N 2.77Å; F49-Y53 HydrophobicContact CB-CE2 4.15Å; F49-Y53 HydrophobicContact CD1-CE2 4.2Å; F49-Y53 WeakPolarHBondContact O-CD2 3.25Å; F49-Y53 WeakPolarHBondContact O-CE2 3.34Å; F49-L215 HydrophobicContact CE1-CD1 3.49Å; F49-L215 VanDerWaalsContact CE1-CD1 3.49Å; F49-L215 HydrophobicContact CZ-CD1 3.65Å
50	A	38.5	Very low	50.3	Low	62 Å²	62	76.1 Å²	76.1	51%	0.512	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-36.4	-174.2	0	0	0	0	0	115.1	N46 I47 L48	N46-A50 PolarHBondContact O-N 2.88Å; N46-A50 VanDerWaalsContact O-N 3.16Å; I47-A50 PolarHBondContact O-N 3.12Å; L48-A50 VanDerWaalsContact C-N 3.32Å; L48-A50 PolarHBondContact O-N 2.75Å
51	D	38	Very low	53.5	Low	123 Å²	123	72.2 Å²	72.2	66%	0.658	41%	0.411	S	S	*	.	H	α-helix	trans	-77	-30.4	-171.8	-76.4	-18.7	0	0	0	113.3	F49 S54	F49-D51 PolarHBondContact O-N 2.77Å; D51-S54 PolarHBondContact O-OG 2.84Å
52	A	44.7	Very low	56.2	Low	58 Å²	58	67 Å²	67	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-74.8	-26.3	-178	0	0	0	0	0	113.9
53	Y	47.8	Very low	59	Low	43 Å²	43	62.5 Å²	62.5	17%	0.169	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.5	-178.1	-57.2	-60.8	0	0	0	114.4	F49 V55 P59 I64 I223	F49-Y53 HydrophobicContact CB-CE2 4.15Å; F49-Y53 HydrophobicContact CD1-CE2 4.2Å; F49-Y53 WeakPolarHBondContact O-CD2 3.25Å; F49-Y53 WeakPolarHBondContact O-CE2 3.34Å; Y53-V55 PolarHBondContact O-N 3.37Å; Y53-P59 HydrophobicContact CD1-CG 4.4Å; Y53-P59 VanDerWaalsContact CE1-CD 3.44Å; Y53-P59 HydrophobicContact CE1-CG 3.84Å; Y53-I64 HydrophobicContact CE1-CD1 4.05Å; Y53-I64 VanDerWaalsContact OH-CD1 3.23Å; Y53-I64 WeakPolarHBondContact OH-CD1 3.36Å; Y53-I223 HydrophobicContact CE1-CD1 4.46Å
54	S	47.4	Very low	62.1	Low	95 Å²	95	60.6 Å²	60.6	66%	0.664	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	-164.1	57.9	0	0	0	0	116.4	D51	D51-S54 PolarHBondContact O-OG 2.84Å
55	V	52.3	Low	65.1	Low	114 Å²	114	55.7 Å²	55.7	69%	0.691	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-41.5	-172.5	-168.6	0	0	0	0	114.6	Y53	Y53-V55 PolarHBondContact O-N 3.37Å
56	N	65.8	Low	67.6	Low	78 Å²	78	57.6 Å²	57.6	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	16.5	-175.4	-79.8	-42.5	0	0	0	116.9	K225 D226	N56-K225 PolarHBondContact ND2-O 2.89Å; N56-D226 PolarHBondContact ND2-O 3.3Å
57	G	77.9	Confident	70.4	Confident	21 Å²	21	55.9 Å²	55.9	22%	0.216	33%	0.334	C	S	.	.			trans	119.7	158.2	167.7	0	0	0	0	0	115.3
58	T	92.8	Very high	73.3	Confident	60 Å²	60	52.3 Å²	52.3	37%	0.368	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-72.6	131.2	179.9	-49.1	0	0	0	0	110.3	S355 E356	T58-S355 CarbonylContact O-C 3.45Å; T58-S355 WeakPolarHBondContact O-CA 3.45Å; T58-S355 WeakPolarHBondContact O-CB 3.43Å; T58-E356 HydrophobicContact CG2-CG 4.45Å; T58-E356 PolarHBondContact O-N 3.1Å
59	P	96	Very high	76.3	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.058	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-70.6	151.6	172.4	32.3	-37.4	0	0	0	110.8	Y53 V63 I64 I223	Y53-P59 HydrophobicContact CD1-CG 4.4Å; Y53-P59 VanDerWaalsContact CE1-CD 3.44Å; Y53-P59 HydrophobicContact CE1-CG 3.84Å; P59-V63 HydrophobicContact CB-CB 4.38Å; P59-I64 HydrophobicContact CG-CD1 3.68Å; P59-I64 HydrophobicContact CG-CG1 3.94Å; P59-I223 HydrophobicContact CB-CD1 3.78Å; P59-I223 HydrophobicContact CB-CG1 4.17Å; P59-I223 HydrophobicContact CG-CD1 3.61Å; P59-I223 HydrophobicContact CG-CG1 4.5Å
60	Q	97.6	Very high	79.1	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.028	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-63.4	149.5	173.8	-64.5	-179.3	59.1	0	0	111.8	S62 V63 G115 V116 P354 E356	Q60-S62 PolarHBondContact O-N 2.83Å; Q60-V63 HydrophobicContact CB-CG2 4.29Å; Q60-V63 WeakPolarHBondContact O-CB 3.13Å; Q60-V63 PolarHBondContact O-N 2.78Å; Q60-G115 VanDerWaalsContact OE1-CA 3.23Å; Q60-V116 PolarHBondContact NE2-O 3.37Å; Q60-P354 WeakPolarHBondContact CG-O 3.36Å; Q60-P354 PolarHBondContact NE2-O 3.43Å; Q60-E356 HydrophobicContact CG-CG 4.32Å
61	G	95.3	Very high	82	Confident	31 Å²	31	47.2 Å²	47.2	32%	0.32	28%	0.281	S	S	.	.	H	α-helix	trans	-55.4	-27.1	-168.3	0	0	0	0	0	116.2	S65 Y114	G61-S65 WeakPolarHBondContact O-CB 3.26Å; G61-S65 PolarHBondContact O-OG 3.41Å; G61-Y114 CarbonylContact C-O 3.48Å; G61-Y114 PolarHBondContact N-O 2.78Å; G61-Y114 VanDerWaalsContact N-O 3.1Å
62	S	96.9	Very high	84.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-81.7	-21.6	177.8	68	0	0	0	0	114.6	Q60 S65 Y114 G115 H160 K162 Q295 Y313	Q60-S62 PolarHBondContact O-N 2.83Å; S62-S65 PolarHBondContact O-OG 3.37Å; S62-Y114 PolarHBondContact N-O 2.81Å; S62-G115 VanDerWaalsContact OG-CA 3.25Å; S62-G115 WeakPolarHBondContact OG-CA 3.46Å; S62-G115 PolarHBondContact OG-N 2.84Å; S62-H160 VanDerWaalsContact CB-O 3.28Å; S62-H160 WeakPolarHBondContact CB-O 3.3Å; S62-H160 PolarHBondContact OG-O 3.08Å; S62-K162 WeakPolarHBondContact O-CE 3.37Å; S62-K162 PolarHBondContact O-NZ 2.59Å; S62-Q295 PolarHBondContact O-NE2 2.91Å; S62-Q295 PolarHBondContact O-OE1 3.31Å; S62-Y313 PolarHBondContact OG-OH 2.75Å
63	V	97.8	Very high	87.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-54.1	-166.8	178.3	0	0	0	0	112.2	P59 Q60 A222 Q295 Y313 F353	P59-V63 HydrophobicContact CB-CB 4.38Å; Q60-V63 HydrophobicContact CB-CG2 4.29Å; Q60-V63 WeakPolarHBondContact O-CB 3.13Å; Q60-V63 PolarHBondContact O-N 2.78Å; V63-A222 HydrophobicContact CG1-CB 3.99Å; V63-Q295 PolarHBondContact O-NE2 2.86Å; V63-Y313 HydrophobicContact CB-CD1 4.4Å; V63-Y313 HydrophobicContact CB-CE1 4.44Å; V63-Y313 HydrophobicContact CG1-CD1 3.91Å; V63-Y313 HydrophobicContact CG1-CE1 4.43Å; V63-Y313 HydrophobicContact CG1-CG 3.98Å; V63-Y313 HydrophobicContact CG2-CD1 4.27Å; V63-Y313 HydrophobicContact CG2-CE1 4Å; V63-Y313 WeakPolarHBondContact O-CD2 3.42Å; V63-F353 HydrophobicContact CG2-CB 4.22Å; V63-F353 HydrophobicContact CG2-CD1 4.48Å
64	I	96.8	Very high	89.9	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-104.8	-14.2	-175.1	59.8	166.1	0	0	0	113.9	Y53 P59 L215 R218 A219 A222 I223	Y53-I64 HydrophobicContact CE1-CD1 4.05Å; Y53-I64 VanDerWaalsContact OH-CD1 3.23Å; Y53-I64 WeakPolarHBondContact OH-CD1 3.36Å; P59-I64 HydrophobicContact CG-CD1 3.68Å; P59-I64 HydrophobicContact CG-CG1 3.94Å; I64-L215 WeakPolarHBondContact O-CD2 3.33Å; I64-R218 HydrophobicContact CB-CB 4.23Å; I64-R218 HydrophobicContact CG2-CB 4.4Å; I64-R218 WeakPolarHBondContact O-CD 3.36Å; I64-R218 PolarHBondContact O-NH1 3.38Å; I64-R218 VanDerWaalsContact O-NH1 3.1Å; I64-A219 HydrophobicContact CG2-CB 4.48Å; I64-A222 HydrophobicContact CG2-CB 4.05Å; I64-I223 HydrophobicContact CG2-CD1 4.23Å; I64-I223 HydrophobicContact CG2-CG1 4.22Å
65	S	95.8	Very high	92.4	Very high	15 Å²	15	32.9 Å²	32.9	11%	0.105	19%	0.192	C	C	.	.	S	Bend	trans	-61	155.3	179.6	54.8	0	0	0	0	112.8	G61 S62 K162 R218 Q295	G61-S65 WeakPolarHBondContact O-CB 3.26Å; G61-S65 PolarHBondContact O-OG 3.41Å; S62-S65 PolarHBondContact O-OG 3.37Å; S65-K162 PolarHBondContact O-NZ 2.84Å; S65-K162 VanDerWaalsContact O-NZ 3.1Å; S65-K162 PolarHBondContact OG-NZ 3.08Å; S65-R218 PolarHBondContact O-NH1 2.98Å; S65-Q295 PolarHBondContact O-NE2 3.32Å
66	E	94.2	Very high	94.6	Very high	125 Å²	125	27.5 Å²	27.5	58%	0.584	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-61.9	163.9	168.8	-62.4	-165.9	160.4	0	0	111.5	K162	E66-K162 PolarHBondContact O-NZ 3.37Å
67	T	94.1	Very high	96.1	Very high	63 Å²	63	25.3 Å²	25.3	39%	0.387	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-73.3	146.3	172.7	48.2	0	0	0	0	109.7	Q295	T67-Q295 HydrophobicContact CG2-CB 4.12Å; T67-Q295 HydrophobicContact CG2-CG 4.42Å
68	K	96.4	Very high	97.1	Very high	16 Å²	16	25.3 Å²	25.3	7%	0.07	14%	0.141	C	C	.	.			trans	-103.2	180	166	-66.2	-174.2	174.1	-83.1	0	110	H70 E109 E111 K162 S163 V195 Q297	K68-H70 PolarHBondContact O-N 2.86Å; K68-E109 PolarHBondContact NZ-O 2.85Å; K68-E111 VanDerWaalsContact CE-CD 3.42Å; K68-E111 WeakPolarHBondContact CE-OE1 3.45Å; K68-E111 IonicContact NZ-OE1 3.51Å; K68-E111 PolarHBondContact NZ-OE1 3.31Å; K68-E111 IonicContact NZ-OE2 2.7Å; K68-E111 PolarHBondContact NZ-OE2 3.27Å; K68-K162 HydrophobicContact CB-CB 4.21Å; K68-K162 HydrophobicContact CD-CB 4.33Å; K68-K162 HydrophobicContact CG-CB 4.29Å; K68-S163 VanDerWaalsContact CD-CA 3.47Å; K68-V195 WeakPolarHBondContact O-CG2 3.26Å; K68-Q297 PolarHBondContact O-NE2 3.32Å
69	D	97.4	Very high	97.4	Very high	76 Å²	76	23.4 Å²	23.4	41%	0.406	13%	0.129	S	C	.	.	S	Bend	trans	-62.5	-27.7	-176.3	-61.9	-27.2	0	0	0	113	H164 W194 V195	D69-H164 PolarHBondContact N-ND1 3.2Å; D69-H164 IonicContact OD1-CE1 3.24Å; D69-H164 IonicContact OD1-ND1 3.5Å; D69-H164 PolarHBondContact OD1-ND1 2.71Å; D69-H164 IonicContact OD2-CE1 2.75Å; D69-H164 IonicContact OD2-CG 3.21Å; D69-H164 IonicContact OD2-ND1 3.94Å; D69-H164 PolarHBondContact OD2-ND1 2.96Å; D69-W194 CarbonylContact O-C 3.43Å; D69-W194 VanDerWaalsContact O-CA 3.25Å; D69-W194 WeakPolarHBondContact O-CA 3.32Å; D69-V195 PolarHBondContact O-N 3.28Å
70	H	98.4	Very high	97.4	Very high	45 Å²	45	29.6 Å²	29.6	21%	0.208	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151	178.7	-55	-70.8	0	0	0	112	K68 K162 S163 Y166 L169 G193	K68-H70 PolarHBondContact O-N 2.86Å; H70-K162 WeakPolarHBondContact O-CA 2.99Å; H70-S163 WeakPolarHBondContact CA-O 3.16Å; H70-S163 WeakPolarHBondContact CB-O 3.28Å; H70-S163 PolarHBondContact N-O 2.9Å; H70-S163 PolarHBondContact O-N 2.96Å; H70-S163 VanDerWaalsContact O-O 3.07Å; H70-Y166 AromaticContact ND1-CD2 3.98Å; H70-L169 HydrophobicContact CB-CD1 3.61Å; H70-G193 VanDerWaalsContact CA-O 3.3Å; H70-G193 WeakPolarHBondContact CA-O 3.32Å
71	S	98.6	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.3	171	-49.4	0	0	0	0	111.2	A161 Y192 G193 Q297	S71-A161 CarbonylContact C-O 3.57Å; S71-A161 WeakPolarHBondContact CA-O 3.33Å; S71-A161 WeakPolarHBondContact CB-O 2.99Å; S71-Y192 CarbonylContact O-C 3.45Å; S71-Y192 VanDerWaalsContact O-CA 3.3Å; S71-Y192 WeakPolarHBondContact O-CA 3.31Å; S71-G193 PolarHBondContact N-O 3.35Å; S71-G193 PolarHBondContact O-N 3.44Å; S71-Q297 VanDerWaalsContact OG-CD 3.27Å; S71-Q297 PolarHBondContact OG-OE1 3.41Å
72	L	98.8	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.6	167	169.9	64.5	0	0	0	108.2	L74 H160 A161 L169 L172 T173 D190 Y192	L72-L74 HydrophobicContact CD1-CB 4.02Å; L72-L74 HydrophobicContact CD2-CB 4.19Å; L72-L74 HydrophobicContact CG-CB 4.01Å; L72-H160 WeakPolarHBondContact O-CA 3.38Å; L72-A161 HydrophobicContact CB-CB 4.2Å; L72-A161 HydrophobicContact CD2-CB 4.49Å; L72-A161 PolarHBondContact N-O 2.98Å; L72-A161 PolarHBondContact O-N 3.02Å; L72-L169 HydrophobicContact CB-CB 4.17Å; L72-L169 HydrophobicContact CB-CD2 4.13Å; L72-L172 HydrophobicContact CD2-CD2 4.43Å; L72-T173 VanDerWaalsContact CD1-OG1 3.24Å; L72-T173 WeakPolarHBondContact CD1-OG1 3.48Å; L72-T173 VanDerWaalsContact CD2-OG1 3.31Å; L72-T173 WeakPolarHBondContact CD2-OG1 3.27Å; L72-D190 HydrophobicContact CD1-CB 4.24Å; L72-Y192 HydrophobicContact CD1-CD1 4.1Å; L72-Y192 HydrophobicContact CD1-CE1 3.63Å
73	F	98.8	Very high	97.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	91	171.7	-47.7	-83.6	0	0	0	108	F158 I159 H160 I191 Q297 L309 I311	F73-F158 HydrophobicContact CB-CE2 3.98Å; F73-F158 HydrophobicContact CB-CZ 3.92Å; F73-F158 HydrophobicContact CD1-CZ 4.08Å; F73-I159 WeakPolarHBondContact CA-O 3.43Å; F73-H160 AromaticContact CD1-CD2 3.57Å; F73-H160 AromaticContact CE1-CD2 3.42Å; F73-H160 VanDerWaalsContact CE1-CD2 3.42Å; F73-H160 WeakPolarHBondContact CE1-CD2 3.41Å; F73-H160 AromaticContact CE1-NE2 3.42Å; F73-H160 WeakPolarHBondContact CE1-NE2 3.35Å; F73-I191 HydrophobicContact CB-CB 4.42Å; F73-I191 HydrophobicContact CD2-CG2 4.31Å; F73-I191 WeakPolarHBondContact CD2-O 3.48Å; F73-I191 PolarHBondContact N-O 2.86Å; F73-I191 PolarHBondContact O-N 3.38Å; F73-Q297 HydrophobicContact CE2-CB 4.5Å; F73-Q297 HydrophobicContact CZ-CB 4.37Å; F73-L309 HydrophobicContact CB-CD2 3.17Å; F73-L309 HydrophobicContact CD1-CD2 3.35Å; F73-L309 HydrophobicContact CD2-CB 4.25Å; F73-L309 HydrophobicContact CD2-CD2 3.16Å; F73-L309 HydrophobicContact CD2-CG 4.29Å; F73-L309 HydrophobicContact CE1-CD2 3.85Å; F73-L309 HydrophobicContact CE2-CB 4.09Å; F73-L309 HydrophobicContact CE2-CD2 3.67Å; F73-L309 HydrophobicContact CG-CD2 2.93Å; F73-L309 HydrophobicContact CG-CG 4.35Å; F73-L309 HydrophobicContact CZ-CD2 3.99Å; F73-I311 HydrophobicContact CE1-CB 4.36Å; F73-I311 HydrophobicContact CE1-CG2 3.7Å; F73-I311 HydrophobicContact CZ-CG2 4.45Å
74	L	98.9	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.9	-174.9	173.4	57.6	0	0	0	109.2	L72 I76 F158 I159 T173 I176 I177 F188 E189 D190	L72-L74 HydrophobicContact CD1-CB 4.02Å; L72-L74 HydrophobicContact CD2-CB 4.19Å; L72-L74 HydrophobicContact CG-CB 4.01Å; L74-I76 HydrophobicContact CD1-CG1 4.15Å; L74-I76 HydrophobicContact CD2-CD1 4.12Å; L74-I76 HydrophobicContact CD2-CG1 4.47Å; L74-I76 HydrophobicContact CG-CD1 4.13Å; L74-I76 HydrophobicContact CG-CG1 4.01Å; L74-F158 CarbonylContact O-C 3.49Å; L74-F158 VanDerWaalsContact O-CA 3.25Å; L74-F158 WeakPolarHBondContact O-CA 3.43Å; L74-F158 WeakPolarHBondContact O-CD2 3.46Å; L74-I159 HydrophobicContact CB-CB 4.18Å; L74-I159 HydrophobicContact CB-CD1 4.43Å; L74-I159 HydrophobicContact CD2-CD1 4.02Å; L74-I159 HydrophobicContact CG-CD1 4.15Å; L74-I159 PolarHBondContact N-O 3.26Å; L74-I159 PolarHBondContact O-N 2.99Å; L74-T173 HydrophobicContact CD1-CG2 4.31Å; L74-T173 HydrophobicContact CD2-CG2 4.21Å; L74-I176 HydrophobicContact CD2-CB 4.39Å; L74-I176 HydrophobicContact CD2-CD1 4.12Å; L74-I176 HydrophobicContact CD2-CG2 4.14Å; L74-I177 HydrophobicContact CD1-CD1 4.49Å; L74-F188 HydrophobicContact CD1-CB 4.1Å; L74-F188 HydrophobicContact CD1-CD2 3.72Å; L74-F188 HydrophobicContact CD1-CG 4.29Å; L74-E189 WeakPolarHBondContact CA-O 3.33Å; L74-D190 HydrophobicContact CD1-CB 4.1Å
75	T	98.9	Very high	97.2	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124	173.1	-52.2	0	0	0	0	109.5	Y77 F158 F188 E189 W351	T75-Y77 HydrophobicContact CG2-CD2 4.19Å; T75-Y77 HydrophobicContact CG2-CE2 3.48Å; T75-Y77 VanDerWaalsContact CG2-CE2 3.48Å; T75-F158 WeakPolarHBondContact OG1-CD2 3.16Å; T75-F188 CarbonylContact O-C 3.6Å; T75-F188 WeakPolarHBondContact O-CA 3.47Å; T75-F188 WeakPolarHBondContact O-CB 3.32Å; T75-E189 PolarHBondContact N-O 2.96Å; T75-E189 PolarHBondContact O-N 3.41Å; T75-W351 HydrophobicContact CG2-CH2 3.85Å; T75-W351 HydrophobicContact CG2-CZ2 3.93Å
76	I	98.9	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.4	179.5	-62.3	161	0	0	0	109.1	L74 L78 D156 I157 I159 I176 I177 L180 V185 F188	L74-I76 HydrophobicContact CD1-CG1 4.15Å; L74-I76 HydrophobicContact CD2-CD1 4.12Å; L74-I76 HydrophobicContact CD2-CG1 4.47Å; L74-I76 HydrophobicContact CG-CD1 4.13Å; L74-I76 HydrophobicContact CG-CG1 4.01Å; I76-L78 HydrophobicContact CG2-CD2 3.99Å; I76-D156 PolarHBondContact O-N 3.45Å; I76-I157 HydrophobicContact CB-CB 4.3Å; I76-I157 HydrophobicContact CD1-CG2 4.49Å; I76-I157 PolarHBondContact N-O 2.88Å; I76-I157 PolarHBondContact O-N 3.1Å; I76-I159 HydrophobicContact CD1-CD1 3.75Å; I76-I176 HydrophobicContact CD1-CG2 3.97Å; I76-I177 HydrophobicContact CD1-CD1 4.15Å; I76-I177 HydrophobicContact CG1-CD1 4.13Å; I76-L180 HydrophobicContact CD1-CD1 4.09Å; I76-L180 HydrophobicContact CG2-CD1 4.36Å; I76-V185 HydrophobicContact CG2-CG1 4.27Å; I76-V185 HydrophobicContact CG2-CG2 4.16Å; I76-F188 HydrophobicContact CG1-CB 4.09Å
77	Y	98.7	Very high	97.4	Very high	33 Å²	33	39.5 Å²	39.5	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.8	171.8	-60.9	-102.6	0	0	0	107.8	T75 T153 G154 D156 A186 K187	T75-Y77 HydrophobicContact CG2-CD2 4.19Å; T75-Y77 HydrophobicContact CG2-CE2 3.48Å; T75-Y77 VanDerWaalsContact CG2-CE2 3.48Å; Y77-T153 WeakPolarHBondContact CE1-O 3.4Å; Y77-T153 PolarHBondContact OH-O 3.21Å; Y77-G154 PolarHBondContact OH-O 2.68Å; Y77-D156 WeakPolarHBondContact CA-OD2 3.1Å; Y77-A186 PolarHBondContact O-N 3.4Å; Y77-K187 HydrophobicContact CD2-CD 4.13Å; Y77-K187 VanDerWaalsContact CD2-CE 3.47Å; Y77-K187 HydrophobicContact CD2-CG 3.7Å; Y77-K187 HydrophobicContact CG-CD 4.41Å; Y77-K187 HydrophobicContact CG-CG 3.89Å; Y77-K187 PolarHBondContact N-O 2.92Å; Y77-K187 PolarHBondContact O-N 2.96Å
78	L	98.6	Very high	97.5	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	148.8	-179.4	-62.8	178.5	0	0	0	110.9	I76 A82 C87 F122 D156 I157 S184	I76-L78 HydrophobicContact CG2-CD2 3.99Å; L78-A82 HydrophobicContact CB-CB 4.07Å; L78-C87 HydrophobicContact CD1-CB 4.17Å; L78-C87 HydrophobicContact CD2-CB 4.46Å; L78-F122 HydrophobicContact CD1-CD2 4.09Å; L78-F122 HydrophobicContact CD1-CE2 3.49Å; L78-F122 VanDerWaalsContact CD1-CE2 3.49Å; L78-F122 HydrophobicContact CD1-CZ 4.11Å; L78-D156 HydrophobicContact CD1-CB 4.28Å; L78-D156 HydrophobicContact CG-CB 4.11Å; L78-D156 PolarHBondContact N-OD2 3.01Å; L78-I157 HydrophobicContact CD1-CD1 4.06Å; L78-I157 HydrophobicContact CD2-CD1 4.32Å; L78-I157 HydrophobicContact CG-CD1 4.37Å; L78-S184 CarbonylContact C-O 3.16Å; L78-S184 VanDerWaalsContact CA-O 3.23Å; L78-S184 WeakPolarHBondContact CA-O 3.35Å; L78-S184 WeakPolarHBondContact CD2-O 3.29Å
79	S	98.3	Very high	97.5	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.133	23%	0.229	C	C	.	.			trans	-63.2	145.4	169.6	-58	0	0	0	0	109.9	D81 A82 R183 S184 A186	S79-D81 VanDerWaalsContact CB-OD1 3.23Å; S79-D81 WeakPolarHBondContact CB-OD1 3.32Å; S79-D81 PolarHBondContact O-N 3.03Å; S79-D81 VanDerWaalsContact O-N 3.08Å; S79-A82 WeakPolarHBondContact O-CB 3.35Å; S79-A82 PolarHBondContact O-N 3.06Å; S79-R183 WeakPolarHBondContact CB-O 3.41Å; S79-R183 PolarHBondContact OG-O 3.39Å; S79-S184 PolarHBondContact N-O 2.88Å; S79-A186 PolarHBondContact OG-N 2.94Å
80	P	96.5	Very high	97.5	Very high	140 Å²	140	38 Å²	38	91%	0.909	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27	179.7	-27.1	35.3	0	0	0	114.6
81	D	95.9	Very high	97.5	Very high	126 Å²	126	35.9 Å²	35.9	67%	0.674	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	5	178.7	64	-40.1	0	0	0	113.9	S79 S83	S79-D81 VanDerWaalsContact CB-OD1 3.23Å; S79-D81 WeakPolarHBondContact CB-OD1 3.32Å; S79-D81 PolarHBondContact O-N 3.03Å; S79-D81 VanDerWaalsContact O-N 3.08Å; D81-S83 PolarHBondContact O-N 3.46Å
82	A	97.3	Very high	97.4	Very high	18 Å²	18	36.9 Å²	36.9	15%	0.149	21%	0.214	C	C	.	.			trans	-63.4	134.3	178.3	0	0	0	0	0	111.8	L78 S79 T84	L78-A82 HydrophobicContact CB-CB 4.07Å; S79-A82 WeakPolarHBondContact O-CB 3.35Å; S79-A82 PolarHBondContact O-N 3.06Å; A82-T84 PolarHBondContact O-N 3.43Å; A82-T84 VanDerWaalsContact O-N 3.09Å
83	S	96	Very high	97.3	Very high	56 Å²	56	40.7 Å²	40.7	39%	0.392	23%	0.231	S	C	.	.			trans	-69.6	106.1	171.9	176.3	0	0	0	0	110	D81 E86 C87	D81-S83 PolarHBondContact O-N 3.46Å; S83-E86 PolarHBondContact O-N 3.01Å; S83-E86 WeakPolarHBondContact OG-CG 3.26Å; S83-C87 PolarHBondContact O-N 3.5Å; S83-C87 PolarHBondContact O-SG 3.15Å
84	T	95.7	Very high	97.2	Very high	37 Å²	37	40.6 Å²	40.6	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-56.2	-46.1	179.1	-63.8	0	0	0	0	112.6	A82 E86 C87 L88 F122 I126	A82-T84 PolarHBondContact O-N 3.43Å; A82-T84 VanDerWaalsContact O-N 3.09Å; T84-E86 PolarHBondContact O-N 3.07Å; T84-C87 PolarHBondContact O-N 3.03Å; T84-L88 HydrophobicContact CG2-CD1 4.22Å; T84-L88 WeakPolarHBondContact O-CB 3.46Å; T84-L88 WeakPolarHBondContact O-CG 3.41Å; T84-L88 PolarHBondContact O-N 3.01Å; T84-F122 HydrophobicContact CG2-CE2 3.83Å; T84-F122 HydrophobicContact CG2-CZ 3.97Å; T84-I126 HydrophobicContact CG2-CG2 3.51Å
85	P	95.2	Very high	97.1	Very high	63 Å²	63	46.3 Å²	46.3	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-41.7	177.2	-25.1	35.6	0	0	0	113.8	L88 K89	P85-L88 PolarHBondContact O-N 3.36Å; P85-K89 WeakPolarHBondContact O-CB 3.17Å; P85-K89 PolarHBondContact O-N 3.37Å
86	E	95.8	Very high	97	Very high	98 Å²	98	54.2 Å²	54.2	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-70.1	-37.6	179.8	-67.4	-63.4	131.8	0	0	111.9	S83 T84 K89 S90 P181	S83-E86 PolarHBondContact O-N 3.01Å; S83-E86 WeakPolarHBondContact OG-CG 3.26Å; T84-E86 PolarHBondContact O-N 3.07Å; E86-K89 PolarHBondContact O-N 3.13Å; E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 3.04Å; E86-P181 HydrophobicContact CB-CG 3.64Å
87	C	97.7	Very high	96.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-47	172.1	-69.2	0	0	0	0	111.3	L78 S83 T84 K89 S90 I91 L180	L78-C87 HydrophobicContact CD1-CB 4.17Å; L78-C87 HydrophobicContact CD2-CB 4.46Å; S83-C87 PolarHBondContact O-N 3.5Å; S83-C87 PolarHBondContact O-SG 3.15Å; T84-C87 PolarHBondContact O-N 3.03Å; C87-K89 PolarHBondContact O-N 3.14Å; C87-S90 PolarHBondContact O-N 3.15Å; C87-I91 WeakPolarHBondContact O-CG1 3.5Å; C87-I91 PolarHBondContact O-N 3.11Å; C87-L180 HydrophobicContact CB-CD2 4.26Å
88	L	97.1	Very high	96.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-42.8	177.1	-80.6	175.1	0	0	0	112.6	T84 P85 S90 I91 G92 F118 F122 I126 V363 V365	T84-L88 HydrophobicContact CG2-CD1 4.22Å; T84-L88 WeakPolarHBondContact O-CB 3.46Å; T84-L88 WeakPolarHBondContact O-CG 3.41Å; T84-L88 PolarHBondContact O-N 3.01Å; P85-L88 PolarHBondContact O-N 3.36Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.41Å; L88-I91 PolarHBondContact O-N 3.5Å; L88-G92 PolarHBondContact O-N 3.33Å; L88-F118 HydrophobicContact CD2-CE1 3.9Å; L88-F118 HydrophobicContact CD2-CZ 3.99Å; L88-F122 HydrophobicContact CD2-CE1 4Å; L88-F122 HydrophobicContact CD2-CZ 4.15Å; L88-F122 HydrophobicContact CG-CZ 4.23Å; L88-I126 HydrophobicContact CD1-CB 3.92Å; L88-I126 HydrophobicContact CD1-CG2 3.52Å; L88-I126 HydrophobicContact CD2-CD1 4.08Å; L88-I126 HydrophobicContact CD2-CG2 4.3Å; L88-I126 HydrophobicContact CG-CG2 4.17Å; L88-V363 HydrophobicContact CD2-CG1 4.49Å; L88-V365 HydrophobicContact CD1-CG2 4.28Å
89	K	95.9	Very high	96.7	Very high	110 Å²	110	56.9 Å²	56.9	48%	0.478	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-44	177	-178.8	179.1	179.4	178.6	0	111.7	P85 E86 C87 G92 H93	P85-K89 WeakPolarHBondContact O-CB 3.17Å; P85-K89 PolarHBondContact O-N 3.37Å; E86-K89 PolarHBondContact O-N 3.13Å; C87-K89 PolarHBondContact O-N 3.14Å; K89-G92 PolarHBondContact O-N 3.26Å; K89-H93 PolarHBondContact O-CD2 3.49Å; K89-H93 VanDerWaalsContact O-CD2 3.27Å; K89-H93 PolarHBondContact O-N 2.95Å
90	S	97	Very high	96.6	Very high	8 Å²	8	60 Å²	60	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-48.7	175	178.4	0	0	0	0	111.7	E86 C87 L88 G92 H93 Y97 N179 L180	E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 3.04Å; C87-S90 PolarHBondContact O-N 3.15Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.41Å; S90-G92 VanDerWaalsContact C-N 3.26Å; S90-G92 PolarHBondContact O-N 3.16Å; S90-H93 WeakPolarHBondContact O-CB 3.46Å; S90-H93 PolarHBondContact O-N 3.05Å; S90-Y97 PolarHBondContact O-OH 3.09Å; S90-N179 WeakPolarHBondContact CB-O 3.29Å; S90-N179 PolarHBondContact OG-O 2.9Å; S90-L180 PolarHBondContact OG-N 2.86Å
91	I	98.1	Very high	96.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-34.9	174.9	-67.4	-60.7	0	0	0	112.1	C87 L88 H93 I94 V116 I157 I176 L180 F359	C87-I91 WeakPolarHBondContact O-CG1 3.5Å; C87-I91 PolarHBondContact O-N 3.11Å; L88-I91 PolarHBondContact O-N 3.5Å; I91-H93 PolarHBondContact O-N 2.81Å; I91-H93 VanDerWaalsContact O-N 3.14Å; I91-I94 VanDerWaalsContact O-CB 3.28Å; I91-I94 WeakPolarHBondContact O-CB 3.48Å; I91-I94 VanDerWaalsContact O-CG2 3.29Å; I91-I94 WeakPolarHBondContact O-CG2 3.34Å; I91-I94 PolarHBondContact O-N 3.28Å; I91-V116 HydrophobicContact CG2-CG1 3.82Å; I91-V116 HydrophobicContact CG2-CG2 4.38Å; I91-I157 HydrophobicContact CD1-CD1 4.49Å; I91-I157 HydrophobicContact CD1-CG2 4.12Å; I91-I157 HydrophobicContact CG1-CD1 4Å; I91-I157 HydrophobicContact CG1-CG2 4.31Å; I91-I176 HydrophobicContact CD1-CG2 3.93Å; I91-L180 HydrophobicContact CD1-CD2 4.3Å; I91-L180 HydrophobicContact CG1-CD2 4.28Å; I91-F359 HydrophobicContact CG2-CE2 4.13Å; I91-F359 HydrophobicContact CG2-CZ 4.11Å
92	G	97	Very high	96.3	Very high	22 Å²	22	49.2 Å²	49.2	23%	0.227	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.6	174.7	0	0	0	0	0	114.5	L88 K89 S90	L88-G92 PolarHBondContact O-N 3.33Å; K89-G92 PolarHBondContact O-N 3.26Å; S90-G92 VanDerWaalsContact C-N 3.26Å; S90-G92 PolarHBondContact O-N 3.16Å
93	H	97.1	Very high	95.9	Very high	80 Å²	80	50.2 Å²	50.2	37%	0.37	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.5	173	-64.6	-42.5	0	0	0	113.7	K89 S90 I91 E95 R96 Y97	K89-H93 PolarHBondContact O-CD2 3.49Å; K89-H93 VanDerWaalsContact O-CD2 3.27Å; K89-H93 PolarHBondContact O-N 2.95Å; S90-H93 WeakPolarHBondContact O-CB 3.46Å; S90-H93 PolarHBondContact O-N 3.05Å; I91-H93 PolarHBondContact O-N 2.81Å; I91-H93 VanDerWaalsContact O-N 3.14Å; H93-E95 VanDerWaalsContact C-N 3.27Å; H93-E95 PolarHBondContact O-N 3.38Å; H93-R96 WeakPolarHBondContact O-CA 3.24Å; H93-R96 VanDerWaalsContact O-CB 3.29Å; H93-R96 WeakPolarHBondContact O-CB 3.5Å; H93-R96 PolarHBondContact O-N 3.46Å; H93-Y97 HydrophobicContact CB-CE1 4.11Å; H93-Y97 HydrophobicContact CB-CE2 4.21Å; H93-Y97 PolarHBondContact O-N 2.68Å
94	I	97.7	Very high	95.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-37.4	-178	-170	166.4	0	0	0	113.9	I91 R96 Y97 V98 Y114 V116 I159 L172 I176 F359	I91-I94 VanDerWaalsContact O-CB 3.28Å; I91-I94 WeakPolarHBondContact O-CB 3.48Å; I91-I94 VanDerWaalsContact O-CG2 3.29Å; I91-I94 WeakPolarHBondContact O-CG2 3.34Å; I91-I94 PolarHBondContact O-N 3.28Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 2.81Å; I94-Y97 HydrophobicContact CB-CD2 4.45Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 2.81Å; I94-Y97 VanDerWaalsContact O-N 3.08Å; I94-V98 PolarHBondContact O-N 3.45Å; I94-Y114 HydrophobicContact CB-CE2 4.38Å; I94-Y114 HydrophobicContact CD1-CD2 3.74Å; I94-Y114 HydrophobicContact CD1-CE2 4.09Å; I94-Y114 HydrophobicContact CD1-CG 4.3Å; I94-Y114 HydrophobicContact CG1-CD2 4.17Å; I94-Y114 HydrophobicContact CG1-CE2 4.13Å; I94-Y114 HydrophobicContact CG2-CD2 4.19Å; I94-Y114 HydrophobicContact CG2-CE2 3.41Å; I94-Y114 VanDerWaalsContact CG2-CE2 3.41Å; I94-V116 HydrophobicContact CD1-CG2 3.86Å; I94-V116 HydrophobicContact CG2-CG2 4.39Å; I94-I159 HydrophobicContact CD1-CG1 4.29Å; I94-I159 HydrophobicContact CD1-CG2 4.07Å; I94-L172 HydrophobicContact CG1-CD1 4.29Å; I94-I176 HydrophobicContact CD1-CD1 3.98Å; I94-I176 HydrophobicContact CG1-CD1 4.45Å; I94-F359 HydrophobicContact CG2-CE1 4.32Å; I94-F359 HydrophobicContact CG2-CZ 4.22Å
95	E	96	Very high	94.5	Very high	120 Å²	120	61.1 Å²	61.1	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-59.6	-42.1	175.1	-171.4	175.4	-156.3	0	0	111.5	H93 Y97 V98 D99 Y114	H93-E95 VanDerWaalsContact C-N 3.27Å; H93-E95 PolarHBondContact O-N 3.38Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 2.78Å; E95-V98 PolarHBondContact O-N 2.9Å; E95-D99 WeakPolarHBondContact O-CB 3.36Å; E95-D99 PolarHBondContact O-N 3.47Å; E95-Y114 WeakPolarHBondContact CB-OH 3.46Å
96	R	96.5	Very high	94	Very high	182 Å²	182	63.2 Å²	63.2	69%	0.687	32%	0.317	S	S	*	.	H	α-helix	trans	-63.4	-35	175.5	178.2	-178.3	173.9	171.2	-0.7	112	H93 I94 A100	H93-R96 WeakPolarHBondContact O-CA 3.24Å; H93-R96 VanDerWaalsContact O-CB 3.29Å; H93-R96 WeakPolarHBondContact O-CB 3.5Å; H93-R96 PolarHBondContact O-N 3.46Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 2.81Å; R96-A100 WeakPolarHBondContact O-CB 3.18Å; R96-A100 PolarHBondContact O-N 3.3Å; R96-A100 VanDerWaalsContact O-N 3.11Å
97	Y	97.7	Very high	93.3	Very high	20 Å²	20	58.9 Å²	58.9	8%	0.078	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-45.2	175.8	-53.5	-32.4	0	0	0	110.9	S90 H93 I94 E95 A100 I101 A175 I176 N179	S90-Y97 PolarHBondContact O-OH 3.09Å; H93-Y97 HydrophobicContact CB-CE1 4.11Å; H93-Y97 HydrophobicContact CB-CE2 4.21Å; H93-Y97 PolarHBondContact O-N 2.68Å; I94-Y97 HydrophobicContact CB-CD2 4.45Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 2.81Å; I94-Y97 VanDerWaalsContact O-N 3.08Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 2.78Å; Y97-A100 PolarHBondContact O-N 2.77Å; Y97-I101 WeakPolarHBondContact O-CD1 3.4Å; Y97-I101 WeakPolarHBondContact O-CG1 3.45Å; Y97-I101 PolarHBondContact O-N 3.3Å; Y97-A175 HydrophobicContact CD1-CB 4.31Å; Y97-A175 HydrophobicContact CD2-CB 4.47Å; Y97-A175 HydrophobicContact CG-CB 3.97Å; Y97-I176 HydrophobicContact CD2-CG1 4.08Å; Y97-N179 HydrophobicContact CE1-CB 4.12Å; Y97-N179 HydrophobicContact CE2-CB 4.41Å; Y97-N179 WeakPolarHBondContact OH-CB 3.15Å
98	V	96.8	Very high	92.7	Very high	13 Å²	13	66.6 Å²	66.6	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-48.4	175.6	168.5	0	0	0	0	111.1	I94 E95 A100 I101 C102 I112 Y114 L172	I94-V98 PolarHBondContact O-N 3.45Å; E95-V98 PolarHBondContact O-N 2.9Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.46Å; V98-I101 PolarHBondContact O-N 2.99Å; V98-I101 VanDerWaalsContact O-N 3.17Å; V98-C102 CarbonylContact O-C 3.58Å; V98-C102 PolarHBondContact O-N 3.48Å; V98-I112 HydrophobicContact CG1-CB 3.98Å; V98-I112 HydrophobicContact CG1-CD1 4.34Å; V98-I112 HydrophobicContact CG2-CB 4.32Å; V98-I112 HydrophobicContact CG2-CD1 4.39Å; V98-I112 HydrophobicContact CG2-CG2 4.23Å; V98-Y114 HydrophobicContact CG2-CD1 3.81Å; V98-Y114 HydrophobicContact CG2-CE1 3.96Å; V98-L172 HydrophobicContact CG2-CD1 3.94Å; V98-L172 HydrophobicContact CG2-CD2 4.28Å
99	D	95.1	Very high	92.2	Very high	76 Å²	76	73.5 Å²	73.5	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-33.3	179.4	-79.9	-20	0	0	0	113	E95 C102 P103	E95-D99 WeakPolarHBondContact O-CB 3.36Å; E95-D99 PolarHBondContact O-N 3.47Å; D99-C102 CarbonylContact O-C 3.57Å; D99-P103 WeakPolarHBondContact O-CD 3.38Å; D99-P103 VanDerWaalsContact O-CG 3.28Å; D99-P103 WeakPolarHBondContact O-CG 3.46Å
100	A	95.8	Very high	91.9	Very high	84 Å²	84	71.2 Å²	71.2	69%	0.694	36%	0.358	S	S	*	.	H	α-helix	trans	-70	-33.4	177.1	0	0	0	0	0	112.6	R96 Y97 V98	R96-A100 WeakPolarHBondContact O-CB 3.18Å; R96-A100 PolarHBondContact O-N 3.3Å; R96-A100 VanDerWaalsContact O-N 3.11Å; Y97-A100 PolarHBondContact O-N 2.77Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.46Å
101	I	96.2	Very high	91.8	Very high	34 Å²	34	73.5 Å²	73.5	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-80.4	-45.7	178.6	-67	161.3	0	0	0	110.4	Y97 V98 I112 K168 E171 L172	Y97-I101 WeakPolarHBondContact O-CD1 3.4Å; Y97-I101 WeakPolarHBondContact O-CG1 3.45Å; Y97-I101 PolarHBondContact O-N 3.3Å; V98-I101 PolarHBondContact O-N 2.99Å; V98-I101 VanDerWaalsContact O-N 3.17Å; I101-I112 HydrophobicContact CB-CD1 4.36Å; I101-I112 HydrophobicContact CD1-CD1 4.48Å; I101-I112 HydrophobicContact CG2-CD1 3.98Å; I101-K168 HydrophobicContact CG2-CB 3.98Å; I101-K168 HydrophobicContact CG2-CG 3.91Å; I101-E171 HydrophobicContact CD1-CB 3.9Å; I101-E171 HydrophobicContact CG1-CB 4.03Å; I101-E171 HydrophobicContact CG2-CB 4.37Å; I101-E171 WeakPolarHBondContact CG2-OE2 3.45Å; I101-L172 HydrophobicContact CD1-CB 3.91Å; I101-L172 HydrophobicContact CD1-CD1 4.37Å
102	C	91.6	Very high	91.7	Very high	6 Å²	6	73.9 Å²	73.9	4%	0.041	37%	0.37	C	S	.	.	S	Bend	trans	-144	91.4	-174.8	-163.1	0	0	0	0	109.3	V98 D99 Q104 C107 K168	V98-C102 CarbonylContact O-C 3.58Å; V98-C102 PolarHBondContact O-N 3.48Å; D99-C102 CarbonylContact O-C 3.57Å; C102-Q104 PolarHBondContact O-N 3.21Å; C102-C107 VanDerWaalsContact CA-SG 3.52Å; C102-C107 HydrophobicContact CB-CB 4.47Å; C102-C107 WeakPolarHBondContact CB-SG 3.46Å; C102-C107 PolarHBondContact O-SG 3.23Å; C102-C107 WeakPolarHBondContact SG-CA 3.3Å; C102-C107 WeakPolarHBondContact SG-CB 3.42Å; C102-C107 CovalentContact SG-SG 2.01Å; C102-C107 PolarHBondContact SG-SG 3.03Å; C102-K168 HydrophobicContact CB-CD 4.1Å; C102-K168 VanDerWaalsContact SG-CE 3.56Å; C102-K168 PolarHBondContact SG-NZ 3.05Å
103	P	87.1	Confident	91.7	Very high	40 Å²	40	75 Å²	75	26%	0.26	37%	0.371	S	S	.	.			trans	-61.4	135.9	172.7	-21.8	31.3	0	0	0	110.5	D99 H105 L106 C107	D99-P103 WeakPolarHBondContact O-CD 3.38Å; D99-P103 VanDerWaalsContact O-CG 3.28Å; D99-P103 WeakPolarHBondContact O-CG 3.46Å; P103-H105 PolarHBondContact O-N 2.78Å; P103-L106 HydrophobicContact CB-CD1 4.35Å; P103-L106 HydrophobicContact CG-CD1 4.07Å; P103-L106 PolarHBondContact O-N 2.93Å; P103-C107 PolarHBondContact O-N 3.33Å; P103-C107 PolarHBondContact O-SG 3.41Å
104	Q	79.8	Confident	91.8	Very high	174 Å²	174	73.3 Å²	73.3	81%	0.813	36%	0.361	S	S	*	.	H	α-helix	trans	-48.9	-37.6	-174	-165.7	-176.2	21.6	0	0	114.5	C102 L106	C102-Q104 PolarHBondContact O-N 3.21Å; Q104-L106 PolarHBondContact O-N 2.95Å
105	H	82.9	Confident	91.8	Very high	147 Å²	147	73.2 Å²	73.2	68%	0.681	36%	0.361	S	S	*	.	H	α-helix	trans	-73.8	-9.6	-179.8	70.1	-77.8	0	0	0	114.9	P103	P103-H105 PolarHBondContact O-N 2.78Å
106	L	84.4	Confident	92	Very high	107 Å²	107	67.5 Å²	67.5	56%	0.56	33%	0.334	S	S	*	.	H	α-helix	trans	-112.6	-18.1	180	-61.2	177.9	0	0	0	113	P103 Q104	P103-L106 HydrophobicContact CB-CD1 4.35Å; P103-L106 HydrophobicContact CG-CD1 4.07Å; P103-L106 PolarHBondContact O-N 2.93Å; Q104-L106 PolarHBondContact O-N 2.95Å
107	C	81.2	Confident	92.1	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-72.5	-34.1	-172	-62.8	0	0	0	0	114.2	C102 P103 E109 D110 E111	C102-C107 VanDerWaalsContact CA-SG 3.52Å; C102-C107 HydrophobicContact CB-CB 4.47Å; C102-C107 WeakPolarHBondContact CB-SG 3.46Å; C102-C107 PolarHBondContact O-SG 3.23Å; C102-C107 WeakPolarHBondContact SG-CA 3.3Å; C102-C107 WeakPolarHBondContact SG-CB 3.42Å; C102-C107 CovalentContact SG-SG 2.01Å; C102-C107 PolarHBondContact SG-SG 3.03Å; P103-C107 PolarHBondContact O-N 3.33Å; P103-C107 PolarHBondContact O-SG 3.41Å; C107-E109 PolarHBondContact O-N 3.14Å; C107-E109 VanDerWaalsContact O-N 3.09Å; C107-D110 PolarHBondContact O-N 3.41Å; C107-E111 HydrophobicContact CB-CB 3.88Å
108	H	85.9	Confident	92.1	Very high	163 Å²	163	57.9 Å²	57.9	76%	0.755	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	-115.7	-168.4	-61.2	-72.7	0	0	0	110.9	E111	H108-E111 VanDerWaalsContact O-OE2 3.11Å
109	E	85.8	Confident	92.2	Very high	149 Å²	149	57.3 Å²	57.3	70%	0.696	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.9	179.1	-62.3	177	178.1	0	0	112.7	K68 C107 E111 H164	K68-E109 PolarHBondContact NZ-O 2.85Å; C107-E109 PolarHBondContact O-N 3.14Å; C107-E109 VanDerWaalsContact O-N 3.09Å; E109-E111 WeakPolarHBondContact CA-OE2 3.23Å; E109-E111 PolarHBondContact O-N 3.26Å; E109-H164 PolarHBondContact O-CD2 3.17Å
110	D	89.7	Confident	92.4	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.332	28%	0.279	S	S	.	.			trans	-90.2	27	178.7	-63.6	-22.8	0	0	0	112.5	C107 S163 H164 K168	C107-D110 PolarHBondContact O-N 3.41Å; D110-S163 PolarHBondContact O-OG 2.77Å; D110-H164 WeakPolarHBondContact OD1-CB 3.39Å; D110-K168 WeakPolarHBondContact O-CD 3.45Å; D110-K168 PolarHBondContact O-NZ 3.01Å; D110-K168 IonicContact OD2-NZ 3.63Å
111	E	94.6	Very high	92.4	Very high	55 Å²	55	54.9 Å²	54.9	26%	0.257	27%	0.269	S	S	.	.			trans	-63.2	157.4	175.4	79.2	-75	178.7	0	0	111.5	K68 C107 H108 E109 L113 S163	K68-E111 VanDerWaalsContact CE-CD 3.42Å; K68-E111 WeakPolarHBondContact CE-OE1 3.45Å; K68-E111 IonicContact NZ-OE1 3.51Å; K68-E111 PolarHBondContact NZ-OE1 3.31Å; K68-E111 IonicContact NZ-OE2 2.7Å; K68-E111 PolarHBondContact NZ-OE2 3.27Å; C107-E111 HydrophobicContact CB-CB 3.88Å; H108-E111 VanDerWaalsContact O-OE2 3.11Å; E109-E111 WeakPolarHBondContact CA-OE2 3.23Å; E109-E111 PolarHBondContact O-N 3.26Å; E111-L113 HydrophobicContact CG-CD2 3.75Å; E111-L113 HydrophobicContact CG-CG 4.05Å; E111-S163 PolarHBondContact O-OG 3.03Å
112	I	97.2	Very high	92.5	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.051	26%	0.261	C	S	.	.			trans	-97.4	108.2	171.4	-55.7	166.5	0	0	0	108.1	V98 I101 A161 K162 K168 L169 L172	V98-I112 HydrophobicContact CG1-CB 3.98Å; V98-I112 HydrophobicContact CG1-CD1 4.34Å; V98-I112 HydrophobicContact CG2-CB 4.32Å; V98-I112 HydrophobicContact CG2-CD1 4.39Å; V98-I112 HydrophobicContact CG2-CG2 4.23Å; I101-I112 HydrophobicContact CB-CD1 4.36Å; I101-I112 HydrophobicContact CD1-CD1 4.48Å; I101-I112 HydrophobicContact CG2-CD1 3.98Å; I112-A161 HydrophobicContact CG2-CB 3.92Å; I112-K162 WeakPolarHBondContact CA-O 3.49Å; I112-K168 HydrophobicContact CD1-CB 4.04Å; I112-K168 HydrophobicContact CG1-CB 4.15Å; I112-L169 HydrophobicContact CG2-CD2 4.25Å; I112-L172 HydrophobicContact CG2-CD2 3.89Å
113	L	97	Very high	92.8	Very high	45 Å²	45	53 Å²	53	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.6	168.6	-57.9	179.9	0	0	0	108.1	E111 A161 K162	E111-L113 HydrophobicContact CG-CD2 3.75Å; E111-L113 HydrophobicContact CG-CG 4.05Å; L113-A161 CarbonylContact O-C 3.6Å; L113-A161 WeakPolarHBondContact O-CA 3.02Å; L113-K162 PolarHBondContact N-O 3.22Å; L113-K162 PolarHBondContact O-N 3.26Å
114	Y	98.2	Very high	93.2	Very high	44 Å²	44	57.2 Å²	57.2	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164.4	-176	70.3	-88	0	0	0	113.1	G61 S62 I94 E95 V98 V116 H160	G61-Y114 CarbonylContact C-O 3.48Å; G61-Y114 PolarHBondContact N-O 2.78Å; G61-Y114 VanDerWaalsContact N-O 3.1Å; S62-Y114 PolarHBondContact N-O 2.81Å; I94-Y114 HydrophobicContact CB-CE2 4.38Å; I94-Y114 HydrophobicContact CD1-CD2 3.74Å; I94-Y114 HydrophobicContact CD1-CE2 4.09Å; I94-Y114 HydrophobicContact CD1-CG 4.3Å; I94-Y114 HydrophobicContact CG1-CD2 4.17Å; I94-Y114 HydrophobicContact CG1-CE2 4.13Å; I94-Y114 HydrophobicContact CG2-CD2 4.19Å; I94-Y114 HydrophobicContact CG2-CE2 3.41Å; I94-Y114 VanDerWaalsContact CG2-CE2 3.41Å; E95-Y114 WeakPolarHBondContact CB-OH 3.46Å; V98-Y114 HydrophobicContact CG2-CD1 3.81Å; V98-Y114 HydrophobicContact CG2-CE1 3.96Å; Y114-V116 HydrophobicContact CD2-CG2 4.4Å; Y114-H160 CarbonylContact C-O 3.51Å; Y114-H160 VanDerWaalsContact CA-O 3.29Å; Y114-H160 WeakPolarHBondContact CA-O 3.29Å
115	G	98.5	Very high	94	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	141.9	167.9	0	0	0	0	0	109.9	Q60 S62 I159 H160	Q60-G115 VanDerWaalsContact OE1-CA 3.23Å; S62-G115 VanDerWaalsContact OG-CA 3.25Å; S62-G115 WeakPolarHBondContact OG-CA 3.46Å; S62-G115 PolarHBondContact OG-N 2.84Å; G115-I159 WeakPolarHBondContact O-CA 3.29Å; G115-H160 PolarHBondContact N-O 3.43Å; G115-H160 PolarHBondContact O-N 3.05Å
116	V	98.9	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.3	178.7	-175.4	0	0	0	0	108.5	Q60 I91 I94 Y114 F118 I157 F158 I159 P354 F359	Q60-V116 PolarHBondContact NE2-O 3.37Å; I91-V116 HydrophobicContact CG2-CG1 3.82Å; I91-V116 HydrophobicContact CG2-CG2 4.38Å; I94-V116 HydrophobicContact CD1-CG2 3.86Å; I94-V116 HydrophobicContact CG2-CG2 4.39Å; Y114-V116 HydrophobicContact CD2-CG2 4.4Å; V116-F118 HydrophobicContact CG1-CE1 4.1Å; V116-F118 HydrophobicContact CG1-CZ 3.99Å; V116-I157 HydrophobicContact CG1-CG2 4.06Å; V116-F158 CarbonylContact C-O 3.39Å; V116-F158 WeakPolarHBondContact CA-O 3.36Å; V116-I159 HydrophobicContact CG2-CG1 4.36Å; V116-P354 WeakPolarHBondContact O-CD 3.26Å; V116-F359 HydrophobicContact CB-CD2 4.23Å; V116-F359 HydrophobicContact CB-CE2 3.65Å; V116-F359 HydrophobicContact CB-CZ 4.21Å; V116-F359 HydrophobicContact CG1-CE2 3.84Å; V116-F359 HydrophobicContact CG2-CE2 3.95Å; V116-F359 HydrophobicContact CG2-CZ 3.98Å
117	G	98.8	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	152.1	173.9	0	0	0	0	0	111.4	F158 Y352	G117-F158 PolarHBondContact N-O 2.85Å; G117-F158 PolarHBondContact O-N 3.22Å; G117-Y352 CarbonylContact C-O 3.45Å; G117-Y352 VanDerWaalsContact CA-O 3.22Å; G117-Y352 WeakPolarHBondContact CA-O 3.42Å
118	F	98.8	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.8	176.6	-59.6	-67.1	0	0	0	110.5	L88 V116 F122 F123 I126 F138 D156 I157 Y352 P354 F359 L362	L88-F118 HydrophobicContact CD2-CE1 3.9Å; L88-F118 HydrophobicContact CD2-CZ 3.99Å; V116-F118 HydrophobicContact CG1-CE1 4.1Å; V116-F118 HydrophobicContact CG1-CZ 3.99Å; F118-F122 HydrophobicContact CB-CD1 4.26Å; F118-F122 AromaticContact CD1-CD1 3.61Å; F118-F122 HydrophobicContact CD1-CD1 3.61Å; F118-F122 AromaticContact CD1-CE1 3.56Å; F118-F122 HydrophobicContact CD1-CE1 3.56Å; F118-F122 HydrophobicContact CE1-CD1 4.36Å; F118-F122 AromaticContact CE1-CE1 3.85Å; F118-F122 HydrophobicContact CE1-CE1 3.85Å; F118-F122 HydrophobicContact CG-CD1 4.25Å; F118-F122 HydrophobicContact CG-CE1 4.49Å; F118-F123 HydrophobicContact CB-CB 4.12Å; F118-F123 HydrophobicContact CB-CD2 3.9Å; F118-F123 HydrophobicContact CB-CG 4.48Å; F118-F123 HydrophobicContact CD2-CD2 4.18Å; F118-F123 HydrophobicContact CG-CD2 4.38Å; F118-I126 HydrophobicContact CB-CD1 4.47Å; F118-I126 HydrophobicContact CD1-CD1 4.02Å; F118-I126 HydrophobicContact CD2-CD1 3.85Å; F118-I126 HydrophobicContact CE1-CD1 4.17Å; F118-I126 HydrophobicContact CE2-CD1 4Å; F118-I126 HydrophobicContact CG-CD1 3.84Å; F118-I126 HydrophobicContact CZ-CD1 4.15Å; F118-F138 WeakPolarHBondContact O-CE2 3.49Å; F118-D156 WeakPolarHBondContact CA-O 3.28Å; F118-I157 HydrophobicContact CD1-CG1 4.16Å; F118-I157 HydrophobicContact CE1-CG1 4.19Å; F118-Y352 PolarHBondContact N-O 3.18Å; F118-Y352 PolarHBondContact O-N 3.44Å; F118-P354 HydrophobicContact CD2-CG 3.96Å; F118-P354 HydrophobicContact CE2-CG 3.94Å; F118-F359 HydrophobicContact CE2-CD2 4.15Å; F118-F359 HydrophobicContact CE2-CE2 4.43Å; F118-F359 HydrophobicContact CZ-CD2 4.21Å; F118-F359 HydrophobicContact CZ-CE2 4.05Å; F118-L362 HydrophobicContact CE2-CD1 4.17Å
119	G	98.7	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	152.1	173.3	0	0	0	0	0	110.6	D121 F122 F123 G155 D156 W351	G119-D121 PolarHBondContact O-N 2.95Å; G119-F122 PolarHBondContact O-N 3.4Å; G119-F122 VanDerWaalsContact O-N 3.13Å; G119-F123 WeakPolarHBondContact O-CB 3.41Å; G119-F123 PolarHBondContact O-N 3.18Å; G119-G155 WeakPolarHBondContact CA-O 3.33Å; G119-D156 PolarHBondContact N-O 3.1Å; G119-W351 VanDerWaalsContact N-CE3 3.34Å
120	F	98.4	Very high	96.6	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-44	-168.5	-174.1	-132.1	0	0	0	114	F122 F123 R124 F130 P137 F138 E139	F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.2Å; F120-F123 PolarHBondContact O-N 3.11Å; F120-R124 HydrophobicContact CD2-CG 4.05Å; F120-R124 HydrophobicContact CE2-CG 3.75Å; F120-R124 HydrophobicContact CZ-CG 4.04Å; F120-R124 VanDerWaalsContact O-CG 3.29Å; F120-R124 WeakPolarHBondContact O-CG 3.29Å; F120-R124 PolarHBondContact O-N 3.3Å; F120-F130 HydrophobicContact CE2-CE2 4.15Å; F120-F130 HydrophobicContact CE2-CZ 4.02Å; F120-F130 HydrophobicContact CZ-CZ 4.19Å; F120-P137 HydrophobicContact CE1-CB 4.39Å; F120-P137 HydrophobicContact CE2-CB 4.26Å; F120-P137 HydrophobicContact CZ-CB 3.7Å; F120-F138 VanDerWaalsContact CA-CE2 3.43Å; F120-F138 HydrophobicContact CB-CD2 3.79Å; F120-F138 HydrophobicContact CB-CE2 3.61Å; F120-F138 HydrophobicContact CB-CG 4.36Å; F120-F138 HydrophobicContact CB-CZ 4.03Å; F120-F138 AromaticContact CD2-CD1 3.66Å; F120-F138 HydrophobicContact CD2-CD1 3.66Å; F120-F138 HydrophobicContact CD2-CD2 4.23Å; F120-F138 AromaticContact CD2-CE1 3.53Å; F120-F138 HydrophobicContact CD2-CE1 3.53Å; F120-F138 HydrophobicContact CD2-CE2 4.11Å; F120-F138 HydrophobicContact CD2-CG 4.02Å; F120-F138 AromaticContact CD2-CZ 3.76Å; F120-F138 HydrophobicContact CD2-CZ 3.76Å; F120-F138 HydrophobicContact CE2-CD1 4.17Å; F120-F138 HydrophobicContact CE2-CE1 4.2Å; F120-F138 HydrophobicContact CG-CD1 4.49Å; F120-F138 HydrophobicContact CG-CD2 4.33Å; F120-F138 HydrophobicContact CG-CE1 4.47Å; F120-F138 HydrophobicContact CG-CE2 4.31Å; F120-F138 HydrophobicContact CG-CG 4.42Å; F120-F138 HydrophobicContact CG-CZ 4.38Å; F120-E139 HydrophobicContact CD1-CB 3.86Å; F120-E139 HydrophobicContact CE1-CB 4.13Å
121	D	96.7	Very high	96.9	Very high	90 Å²	90	41.6 Å²	41.6	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-64.9	-35.8	-179.5	-68	-32.5	0	0	0	112.6	G119	G119-D121 PolarHBondContact O-N 2.95Å
122	F	97.8	Very high	96.9	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-42.6	173.4	-175.3	-103.1	0	0	0	111.2	L78 T84 L88 F118 G119 F120 R124 K125 I126 D156 I157	L78-F122 HydrophobicContact CD1-CD2 4.09Å; L78-F122 HydrophobicContact CD1-CE2 3.49Å; L78-F122 VanDerWaalsContact CD1-CE2 3.49Å; L78-F122 HydrophobicContact CD1-CZ 4.11Å; T84-F122 HydrophobicContact CG2-CE2 3.83Å; T84-F122 HydrophobicContact CG2-CZ 3.97Å; L88-F122 HydrophobicContact CD2-CE1 4Å; L88-F122 HydrophobicContact CD2-CZ 4.15Å; L88-F122 HydrophobicContact CG-CZ 4.23Å; F118-F122 HydrophobicContact CB-CD1 4.26Å; F118-F122 AromaticContact CD1-CD1 3.61Å; F118-F122 HydrophobicContact CD1-CD1 3.61Å; F118-F122 AromaticContact CD1-CE1 3.56Å; F118-F122 HydrophobicContact CD1-CE1 3.56Å; F118-F122 HydrophobicContact CE1-CD1 4.36Å; F118-F122 AromaticContact CE1-CE1 3.85Å; F118-F122 HydrophobicContact CE1-CE1 3.85Å; F118-F122 HydrophobicContact CG-CD1 4.25Å; F118-F122 HydrophobicContact CG-CE1 4.49Å; G119-F122 PolarHBondContact O-N 3.4Å; G119-F122 VanDerWaalsContact O-N 3.13Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.2Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 2.85Å; F122-K125 WeakPolarHBondContact O-CB 3.43Å; F122-K125 PolarHBondContact O-N 3.24Å; F122-I126 HydrophobicContact CD1-CD1 4.21Å; F122-I126 HydrophobicContact CD1-CG2 4.24Å; F122-I126 HydrophobicContact CE1-CD1 3.98Å; F122-I126 HydrophobicContact CE1-CG2 3.75Å; F122-I126 HydrophobicContact CE2-CG2 4.3Å; F122-I126 HydrophobicContact CZ-CG2 3.78Å; F122-I126 PolarHBondContact O-N 3.46Å; F122-D156 HydrophobicContact CB-CB 3.94Å; F122-D156 WeakPolarHBondContact CD1-O 3.05Å; F122-D156 HydrophobicContact CD2-CB 3.96Å; F122-D156 HydrophobicContact CG-CB 3.92Å; F122-I157 HydrophobicContact CD1-CG1 4.33Å; F122-I157 HydrophobicContact CE1-CD1 4.44Å; F122-I157 HydrophobicContact CE1-CG1 3.95Å; F122-I157 HydrophobicContact CZ-CD1 4.33Å; F122-I157 HydrophobicContact CZ-CG1 4.3Å
123	F	97.8	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-42.2	-179.3	-170.3	-107.6	0	0	0	112.2	F118 G119 F120 K125 I126 S127 F130 I135 F138 Y352 L362	F118-F123 HydrophobicContact CB-CB 4.12Å; F118-F123 HydrophobicContact CB-CD2 3.9Å; F118-F123 HydrophobicContact CB-CG 4.48Å; F118-F123 HydrophobicContact CD2-CD2 4.18Å; F118-F123 HydrophobicContact CG-CD2 4.38Å; G119-F123 WeakPolarHBondContact O-CB 3.41Å; G119-F123 PolarHBondContact O-N 3.18Å; F120-F123 PolarHBondContact O-N 3.11Å; F123-K125 PolarHBondContact O-N 3.33Å; F123-I126 HydrophobicContact CD2-CD1 4.09Å; F123-I126 HydrophobicContact CD2-CG1 4.18Å; F123-I126 VanDerWaalsContact O-CG1 3.3Å; F123-I126 WeakPolarHBondContact O-CG1 3.34Å; F123-I126 PolarHBondContact O-N 3.32Å; F123-I126 VanDerWaalsContact O-N 3.16Å; F123-S127 PolarHBondContact O-N 2.82Å; F123-F130 HydrophobicContact CD1-CB 4.34Å; F123-F130 HydrophobicContact CE1-CB 3.62Å; F123-F130 HydrophobicContact CE1-CG 4.23Å; F123-F130 HydrophobicContact CZ-CB 4.43Å; F123-I135 HydrophobicContact CE1-CD1 3.7Å; F123-I135 HydrophobicContact CE1-CG2 4Å; F123-I135 HydrophobicContact CZ-CD1 3.47Å; F123-I135 VanDerWaalsContact CZ-CD1 3.47Å; F123-F138 HydrophobicContact CB-CE1 4.4Å; F123-F138 HydrophobicContact CB-CZ 3.75Å; F123-F138 AromaticContact CD1-CE1 3.68Å; F123-F138 HydrophobicContact CD1-CE1 3.68Å; F123-F138 AromaticContact CD1-CZ 3.86Å; F123-F138 HydrophobicContact CD1-CZ 3.86Å; F123-F138 HydrophobicContact CE1-CE1 4.26Å; F123-F138 HydrophobicContact CG-CE1 4.17Å; F123-F138 AromaticContact CG-CZ 3.86Å; F123-F138 HydrophobicContact CG-CZ 3.86Å; F123-Y352 HydrophobicContact CD2-CD1 4.22Å; F123-Y352 HydrophobicContact CE1-CD1 4.27Å; F123-Y352 AromaticContact CE2-CD1 3.61Å; F123-Y352 HydrophobicContact CE2-CD1 3.61Å; F123-Y352 HydrophobicContact CE2-CE1 4.07Å; F123-Y352 AromaticContact CZ-CD1 3.64Å; F123-Y352 HydrophobicContact CZ-CD1 3.64Å; F123-Y352 AromaticContact CZ-CE1 3.84Å; F123-Y352 HydrophobicContact CZ-CE1 3.84Å; F123-L362 HydrophobicContact CE2-CD1 3.99Å
124	R	96.6	Very high	96.5	Very high	128 Å²	128	53.7 Å²	53.7	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-26.9	175.7	-70.3	172.2	67.8	-169.2	2.1	113.7	F120 F122 P128 F130	F120-R124 HydrophobicContact CD2-CG 4.05Å; F120-R124 HydrophobicContact CE2-CG 3.75Å; F120-R124 HydrophobicContact CZ-CG 4.04Å; F120-R124 VanDerWaalsContact O-CG 3.29Å; F120-R124 WeakPolarHBondContact O-CG 3.29Å; F120-R124 PolarHBondContact O-N 3.3Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 2.85Å; R124-P128 WeakPolarHBondContact O-CA 3.3Å; R124-F130 HydrophobicContact CG-CD1 4.43Å; R124-F130 HydrophobicContact CG-CE1 3.91Å; R124-F130 HydrophobicContact CG-CZ 4.46Å
125	K	95.3	Very high	96.4	Very high	136 Å²	136	51.8 Å²	51.8	59%	0.591	25%	0.246	S	C	*	.	H	α-helix	trans	-76	-38.4	176.1	-62.3	172.6	-173.9	173.2	0	111.4	F122 F123	F122-K125 WeakPolarHBondContact O-CB 3.43Å; F122-K125 PolarHBondContact O-N 3.24Å; F123-K125 PolarHBondContact O-N 3.33Å
126	I	96	Very high	96.3	Very high	26 Å²	26	55.6 Å²	55.6	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-89.9	-18.8	-174.4	68.3	169.4	0	0	0	113.1	T84 L88 F118 F122 F123 L362	T84-I126 HydrophobicContact CG2-CG2 3.51Å; L88-I126 HydrophobicContact CD1-CB 3.92Å; L88-I126 HydrophobicContact CD1-CG2 3.52Å; L88-I126 HydrophobicContact CD2-CD1 4.08Å; L88-I126 HydrophobicContact CD2-CG2 4.3Å; L88-I126 HydrophobicContact CG-CG2 4.17Å; F118-I126 HydrophobicContact CB-CD1 4.47Å; F118-I126 HydrophobicContact CD1-CD1 4.02Å; F118-I126 HydrophobicContact CD2-CD1 3.85Å; F118-I126 HydrophobicContact CE1-CD1 4.17Å; F118-I126 HydrophobicContact CE2-CD1 4Å; F118-I126 HydrophobicContact CG-CD1 3.84Å; F118-I126 HydrophobicContact CZ-CD1 4.15Å; F122-I126 HydrophobicContact CD1-CD1 4.21Å; F122-I126 HydrophobicContact CD1-CG2 4.24Å; F122-I126 HydrophobicContact CE1-CD1 3.98Å; F122-I126 HydrophobicContact CE1-CG2 3.75Å; F122-I126 HydrophobicContact CE2-CG2 4.3Å; F122-I126 HydrophobicContact CZ-CG2 3.78Å; F122-I126 PolarHBondContact O-N 3.46Å; F123-I126 HydrophobicContact CD2-CD1 4.09Å; F123-I126 HydrophobicContact CD2-CG1 4.18Å; F123-I126 VanDerWaalsContact O-CG1 3.3Å; F123-I126 WeakPolarHBondContact O-CG1 3.34Å; F123-I126 PolarHBondContact O-N 3.32Å; F123-I126 VanDerWaalsContact O-N 3.16Å; I126-L362 HydrophobicContact CD1-CD1 4.45Å; I126-L362 HydrophobicContact CD1-CD2 4.3Å; I126-L362 HydrophobicContact CG1-CD2 4.29Å
127	S	95.9	Very high	96.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.285	C	S	.	.			trans	-139.1	68	178.5	-166.8	0	0	0	0	109	F123 D129 F130 K133	F123-S127 PolarHBondContact O-N 2.82Å; S127-D129 PolarHBondContact O-N 2.98Å; S127-D129 VanDerWaalsContact O-N 3.14Å; S127-F130 WeakPolarHBondContact O-CB 3.33Å; S127-F130 VanDerWaalsContact O-CD1 3.29Å; S127-F130 WeakPolarHBondContact O-CD1 3.34Å; S127-F130 PolarHBondContact O-N 3.23Å; S127-F130 VanDerWaalsContact O-N 3.09Å; S127-K133 PolarHBondContact OG-NZ 3.4Å
128	P	94.7	Very high	96.1	Very high	104 Å²	104	58.9 Å²	58.9	68%	0.675	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	-179	26.1	-34.8	0	0	0	113.1	R124	R124-P128 WeakPolarHBondContact O-CA 3.3Å
129	D	94.3	Very high	96.1	Very high	69 Å²	69	62.7 Å²	62.7	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	15.4	177	66.8	-34.9	0	0	0	113.5	S127 E131 H132 K133	S127-D129 PolarHBondContact O-N 2.98Å; S127-D129 VanDerWaalsContact O-N 3.14Å; D129-E131 PolarHBondContact O-N 2.83Å; D129-E131 VanDerWaalsContact O-N 3.13Å; D129-H132 WeakPolarHBondContact O-CB 3.44Å; D129-H132 PolarHBondContact O-N 2.98Å; D129-K133 VanDerWaalsContact CG-NZ 3.34Å; D129-K133 PolarHBondContact O-N 3.25Å; D129-K133 WeakPolarHBondContact OD1-CE 3.49Å; D129-K133 IonicContact OD1-NZ 2.73Å; D129-K133 PolarHBondContact OD1-NZ 2.97Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.57Å; D129-K133 PolarHBondContact OD2-NZ 3.09Å
130	F	95.2	Very high	96.1	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.057	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.2	-172.7	72.2	-84.6	0	0	0	114.9	F120 F123 R124 S127 H132 K133 K134 I135 P137	F120-F130 HydrophobicContact CE2-CE2 4.15Å; F120-F130 HydrophobicContact CE2-CZ 4.02Å; F120-F130 HydrophobicContact CZ-CZ 4.19Å; F123-F130 HydrophobicContact CD1-CB 4.34Å; F123-F130 HydrophobicContact CE1-CB 3.62Å; F123-F130 HydrophobicContact CE1-CG 4.23Å; F123-F130 HydrophobicContact CZ-CB 4.43Å; R124-F130 HydrophobicContact CG-CD1 4.43Å; R124-F130 HydrophobicContact CG-CE1 3.91Å; R124-F130 HydrophobicContact CG-CZ 4.46Å; S127-F130 WeakPolarHBondContact O-CB 3.33Å; S127-F130 VanDerWaalsContact O-CD1 3.29Å; S127-F130 WeakPolarHBondContact O-CD1 3.34Å; S127-F130 PolarHBondContact O-N 3.23Å; S127-F130 VanDerWaalsContact O-N 3.09Å; F130-H132 VanDerWaalsContact C-N 3.29Å; F130-H132 PolarHBondContact O-N 3.31Å; F130-K133 CarbonylContact O-C 3.58Å; F130-K133 WeakPolarHBondContact O-CA 3.47Å; F130-K133 WeakPolarHBondContact O-CB 3.49Å; F130-K133 PolarHBondContact O-N 3.24Å; F130-K134 PolarHBondContact O-N 2.8Å; F130-I135 HydrophobicContact CB-CB 4.22Å; F130-I135 HydrophobicContact CB-CD1 4.31Å; F130-I135 HydrophobicContact CD2-CB 4.04Å; F130-I135 HydrophobicContact CD2-CG2 4.12Å; F130-I135 WeakPolarHBondContact CD2-O 3.49Å; F130-I135 PolarHBondContact O-N 3.39Å; F130-I135 VanDerWaalsContact O-N 3.15Å; F130-P137 HydrophobicContact CE2-CG 4.24Å
131	E	94.6	Very high	96	Very high	132 Å²	132	66.7 Å²	66.7	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.1	177.6	-63.2	-176.8	170.3	0	0	111.7	D129 K133 K134	D129-E131 PolarHBondContact O-N 2.83Å; D129-E131 VanDerWaalsContact O-N 3.13Å; E131-K133 PolarHBondContact O-N 3.37Å; E131-K134 WeakPolarHBondContact O-CA 3.4Å; E131-K134 PolarHBondContact O-N 3.32Å
132	H	94.9	Very high	96.1	Very high	169 Å²	169	66.9 Å²	66.9	78%	0.782	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.6	173.7	-63.2	-56	0	0	0	112.2	D129 F130 K134	D129-H132 WeakPolarHBondContact O-CB 3.44Å; D129-H132 PolarHBondContact O-N 2.98Å; F130-H132 VanDerWaalsContact C-N 3.29Å; F130-H132 PolarHBondContact O-N 3.31Å; H132-K134 PolarHBondContact O-N 3.27Å
133	K	92	Very high	96.1	Very high	71 Å²	71	67.6 Å²	67.6	31%	0.309	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	7.4	172.3	-57.5	173.6	-171.9	150.3	0	112.4	S127 D129 F130 E131 I135	S127-K133 PolarHBondContact OG-NZ 3.4Å; D129-K133 VanDerWaalsContact CG-NZ 3.34Å; D129-K133 PolarHBondContact O-N 3.25Å; D129-K133 WeakPolarHBondContact OD1-CE 3.49Å; D129-K133 IonicContact OD1-NZ 2.73Å; D129-K133 PolarHBondContact OD1-NZ 2.97Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.57Å; D129-K133 PolarHBondContact OD2-NZ 3.09Å; F130-K133 CarbonylContact O-C 3.58Å; F130-K133 WeakPolarHBondContact O-CA 3.47Å; F130-K133 WeakPolarHBondContact O-CB 3.49Å; F130-K133 PolarHBondContact O-N 3.24Å; E131-K133 PolarHBondContact O-N 3.37Å; K133-I135 HydrophobicContact CB-CD1 4.32Å; K133-I135 HydrophobicContact CB-CG1 4.44Å; K133-I135 PolarHBondContact O-N 2.79Å
134	K	94.3	Very high	96	Very high	124 Å²	124	71 Å²	71	54%	0.539	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	22	-179.3	-52.8	171.5	170.5	179	0	114.5	F130 E131 H132 E136 D226	F130-K134 PolarHBondContact O-N 2.8Å; E131-K134 WeakPolarHBondContact O-CA 3.4Å; E131-K134 PolarHBondContact O-N 3.32Å; H132-K134 PolarHBondContact O-N 3.27Å; K134-E136 PolarHBondContact O-N 3.31Å; K134-D226 HydrophobicContact CB-CB 3.99Å; K134-D226 HydrophobicContact CD-CB 3.62Å; K134-D226 VanDerWaalsContact CD-OD1 3.31Å; K134-D226 WeakPolarHBondContact CD-OD1 3.36Å; K134-D226 IonicContact NZ-OD1 2.87Å; K134-D226 PolarHBondContact NZ-OD1 2.95Å
135	I	96.5	Very high	96	Very high	4 Å²	4	66 Å²	66	2%	0.021	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-77.6	124.3	170.9	-62.6	167	0	0	0	107.3	F123 F130 K133 F138 T227 Y352 E358	F123-I135 HydrophobicContact CE1-CD1 3.7Å; F123-I135 HydrophobicContact CE1-CG2 4Å; F123-I135 HydrophobicContact CZ-CD1 3.47Å; F123-I135 VanDerWaalsContact CZ-CD1 3.47Å; F130-I135 HydrophobicContact CB-CB 4.22Å; F130-I135 HydrophobicContact CB-CD1 4.31Å; F130-I135 HydrophobicContact CD2-CB 4.04Å; F130-I135 HydrophobicContact CD2-CG2 4.12Å; F130-I135 WeakPolarHBondContact CD2-O 3.49Å; F130-I135 PolarHBondContact O-N 3.39Å; F130-I135 VanDerWaalsContact O-N 3.15Å; K133-I135 HydrophobicContact CB-CD1 4.32Å; K133-I135 HydrophobicContact CB-CG1 4.44Å; K133-I135 PolarHBondContact O-N 2.79Å; I135-F138 HydrophobicContact CG2-CD1 4.33Å; I135-F138 HydrophobicContact CG2-CE1 4.21Å; I135-T227 HydrophobicContact CG1-CG2 3.58Å; I135-Y352 HydrophobicContact CD1-CD1 4.42Å; I135-Y352 HydrophobicContact CD1-CE1 3.7Å; I135-Y352 HydrophobicContact CD1-CE2 4.46Å; I135-Y352 HydrophobicContact CG1-CE1 4.41Å; I135-Y352 HydrophobicContact CG1-CE2 4.32Å; I135-Y352 HydrophobicContact CG2-CD2 4.4Å; I135-Y352 HydrophobicContact CG2-CE2 4.39Å; I135-E358 VanDerWaalsContact CD1-OE1 3.26Å; I135-E358 WeakPolarHBondContact CD1-OE1 3.26Å
136	E	95.6	Very high	96	Very high	80 Å²	80	63.5 Å²	63.5	37%	0.374	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-76.8	144.5	176.5	-67.2	177.8	-174.9	0	0	109.5	K134 F138 Y231 N316	K134-E136 PolarHBondContact O-N 3.31Å; E136-F138 WeakPolarHBondContact O-CD1 3.22Å; E136-F138 PolarHBondContact O-N 2.89Å; E136-Y231 PolarHBondContact N-OH 2.98Å; E136-N316 PolarHBondContact OE1-ND2 3.28Å; E136-N316 PolarHBondContact OE2-ND2 2.95Å
137	P	97.3	Very high	96	Very high	69 Å²	69	64.8 Å²	64.8	45%	0.448	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-53	130.6	168.8	-27.3	36	0	0	0	111.6	F120 F130	F120-P137 HydrophobicContact CE1-CB 4.39Å; F120-P137 HydrophobicContact CE2-CB 4.26Å; F120-P137 HydrophobicContact CZ-CB 3.7Å; F130-P137 HydrophobicContact CE2-CG 4.24Å
138	F	98	Very high	96	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.356	C	S	.	.			trans	-123.9	41.9	-174.5	58	-87.8	0	0	0	112.2	F118 F120 F123 I135 E136 Y140 Y231 I317 Y350 Y352	F118-F138 WeakPolarHBondContact O-CE2 3.49Å; F120-F138 VanDerWaalsContact CA-CE2 3.43Å; F120-F138 HydrophobicContact CB-CD2 3.79Å; F120-F138 HydrophobicContact CB-CE2 3.61Å; F120-F138 HydrophobicContact CB-CG 4.36Å; F120-F138 HydrophobicContact CB-CZ 4.03Å; F120-F138 AromaticContact CD2-CD1 3.66Å; F120-F138 HydrophobicContact CD2-CD1 3.66Å; F120-F138 HydrophobicContact CD2-CD2 4.23Å; F120-F138 AromaticContact CD2-CE1 3.53Å; F120-F138 HydrophobicContact CD2-CE1 3.53Å; F120-F138 HydrophobicContact CD2-CE2 4.11Å; F120-F138 HydrophobicContact CD2-CG 4.02Å; F120-F138 AromaticContact CD2-CZ 3.76Å; F120-F138 HydrophobicContact CD2-CZ 3.76Å; F120-F138 HydrophobicContact CE2-CD1 4.17Å; F120-F138 HydrophobicContact CE2-CE1 4.2Å; F120-F138 HydrophobicContact CG-CD1 4.49Å; F120-F138 HydrophobicContact CG-CD2 4.33Å; F120-F138 HydrophobicContact CG-CE1 4.47Å; F120-F138 HydrophobicContact CG-CE2 4.31Å; F120-F138 HydrophobicContact CG-CG 4.42Å; F120-F138 HydrophobicContact CG-CZ 4.38Å; F123-F138 HydrophobicContact CB-CE1 4.4Å; F123-F138 HydrophobicContact CB-CZ 3.75Å; F123-F138 AromaticContact CD1-CE1 3.68Å; F123-F138 HydrophobicContact CD1-CE1 3.68Å; F123-F138 AromaticContact CD1-CZ 3.86Å; F123-F138 HydrophobicContact CD1-CZ 3.86Å; F123-F138 HydrophobicContact CE1-CE1 4.26Å; F123-F138 HydrophobicContact CG-CE1 4.17Å; F123-F138 AromaticContact CG-CZ 3.86Å; F123-F138 HydrophobicContact CG-CZ 3.86Å; I135-F138 HydrophobicContact CG2-CD1 4.33Å; I135-F138 HydrophobicContact CG2-CE1 4.21Å; E136-F138 WeakPolarHBondContact O-CD1 3.22Å; E136-F138 PolarHBondContact O-N 2.89Å; F138-Y140 PolarHBondContact O-N 2.64Å; F138-Y231 HydrophobicContact CB-CD1 3.87Å; F138-Y231 HydrophobicContact CB-CE1 3.87Å; F138-Y231 HydrophobicContact CD1-CD1 4.36Å; F138-Y231 AromaticContact CD1-CE1 3.9Å; F138-Y231 HydrophobicContact CD1-CE1 3.9Å; F138-Y231 HydrophobicContact CG-CD1 4.16Å; F138-Y231 HydrophobicContact CG-CE1 4.1Å; F138-I317 HydrophobicContact CB-CG2 3.65Å; F138-Y350 WeakPolarHBondContact O-CB 3.35Å; F138-Y352 HydrophobicContact CE1-CG 4.33Å; F138-Y352 HydrophobicContact CZ-CG 4.46Å
139	E	97.5	Very high	96.1	Very high	80 Å²	80	66.3 Å²	66.3	37%	0.374	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.1	127.5	176.4	-171.8	172.5	-177.1	0	0	111.2	F120 H141 K152	F120-E139 HydrophobicContact CD1-CB 3.86Å; F120-E139 HydrophobicContact CE1-CB 4.13Å; E139-H141 IonicContact OE2-CE1 2.78Å; E139-K152 IonicContact OE1-NZ 3.68Å; E139-K152 PolarHBondContact OE1-NZ 2.8Å
140	Y	98.4	Very high	96.3	Very high	1 Å²	1	63 Å²	63	0%	0.004	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.6	125.4	171.9	-173.8	-81	0	0	0	110.1	F138 L150 P151 K152 L233 Q235 L324 Y350	F138-Y140 PolarHBondContact O-N 2.64Å; Y140-L150 WeakPolarHBondContact OH-CB 3.36Å; Y140-P151 VanDerWaalsContact CE1-O 3.25Å; Y140-P151 WeakPolarHBondContact CE1-O 3.5Å; Y140-K152 HydrophobicContact CD1-CB 3.84Å; Y140-K152 HydrophobicContact CD1-CG 4.01Å; Y140-K152 HydrophobicContact CE1-CB 4.32Å; Y140-K152 WeakPolarHBondContact O-CD 3.32Å; Y140-K152 VanDerWaalsContact O-CE 3.24Å; Y140-K152 WeakPolarHBondContact O-CE 3.26Å; Y140-K152 WeakPolarHBondContact O-CG 3.41Å; Y140-L233 HydrophobicContact CD2-CD1 4.28Å; Y140-L233 HydrophobicContact CE2-CD1 3.76Å; Y140-Q235 PolarHBondContact OH-NE2 2.85Å; Y140-L324 HydrophobicContact CE2-CD1 3.96Å; Y140-Y350 AromaticContact CD2-CD1 3.98Å; Y140-Y350 HydrophobicContact CD2-CD1 3.98Å; Y140-Y350 AromaticContact CD2-CD2 3.9Å; Y140-Y350 HydrophobicContact CD2-CD2 3.9Å; Y140-Y350 AromaticContact CD2-CE1 3.97Å; Y140-Y350 HydrophobicContact CD2-CE1 3.97Å; Y140-Y350 AromaticContact CD2-CE2 3.89Å; Y140-Y350 HydrophobicContact CD2-CE2 3.89Å; Y140-Y350 AromaticContact CD2-CG 3.92Å; Y140-Y350 HydrophobicContact CD2-CG 3.92Å; Y140-Y350 AromaticContact CD2-CZ 3.9Å; Y140-Y350 HydrophobicContact CE2-CE1 4.37Å; Y140-Y350 HydrophobicContact CG-CD2 4.29Å; Y140-Y350 HydrophobicContact CG-CE2 4.43Å
141	H	96.6	Very high	96.5	Very high	104 Å²	104	63.5 Å²	63.5	48%	0.481	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-100.4	132.1	175	-57.4	-61.2	0	0	0	111	E139 R143	E139-H141 IonicContact OE2-CE1 2.78Å; H141-R143 PolarHBondContact O-NH1 3.03Å
142	E	98.1	Very high	96.7	Very high	93 Å²	93	60.9 Å²	60.9	44%	0.435	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.7	136.1	171	174.4	166.4	135.7	0	0	109.8	K149 L150 K152	E142-K149 IonicContact OE1-NZ 3.69Å; E142-K149 PolarHBondContact OE1-NZ 2.79Å; E142-L150 WeakPolarHBondContact CA-O 3.25Å; E142-K152 HydrophobicContact CB-CB 4.28Å
143	R	98.1	Very high	96.8	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.06	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155	175.5	-62.5	161.9	174.7	92.3	-9	110	H141 K149 L150 N321 D325 T328	H141-R143 PolarHBondContact O-NH1 3.03Å; R143-K149 CarbonylContact O-C 3.59Å; R143-K149 WeakPolarHBondContact O-CA 3.29Å; R143-L150 HydrophobicContact CB-CB 4.22Å; R143-L150 HydrophobicContact CB-CD1 4.27Å; R143-L150 HydrophobicContact CB-CG 4.45Å; R143-L150 PolarHBondContact N-O 2.87Å; R143-L150 VanDerWaalsContact N-O 3.17Å; R143-L150 PolarHBondContact O-N 2.79Å; R143-N321 PolarHBondContact NH2-OD1 2.93Å; R143-D325 IonicContact CZ-OD1 3.89Å; R143-D325 VanDerWaalsContact CZ-OD1 3.23Å; R143-D325 IonicContact NE-OD1 3.6Å; R143-D325 PolarHBondContact NE-OD1 2.54Å; R143-D325 IonicContact NH2-OD1 3.7Å; R143-D325 PolarHBondContact NH2-OD1 2.98Å; R143-T328 HydrophobicContact CB-CG2 3.82Å
144	S	96.8	Very high	97.1	Very high	71 Å²	71	52.8 Å²	52.8	50%	0.497	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.2	-179.9	-67.1	0	0	0	0	110.6
145	G	95	Very high	97.3	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	177.1	169.9	0	0	0	0	0	110.9	F147 G148 T328	G145-F147 PolarHBondContact O-N 3.25Å; G145-G148 PolarHBondContact N-O 3.22Å; G145-G148 PolarHBondContact O-N 2.86Å; G145-G148 VanDerWaalsContact O-N 3.14Å; G145-G148 VanDerWaalsContact O-O 3.05Å; G145-T328 WeakPolarHBondContact CA-O 3.14Å
146	A	95.4	Very high	97.4	Very high	84 Å²	84	48.8 Å²	48.8	69%	0.694	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.9	-177.9	0	0	0	0	0	113.9	M336	A146-M336 HydrophobicContact CB-CE 3.59Å; A146-M336 HydrophobicContact CB-SD 3.52Å; A146-M336 VanDerWaalsContact CB-SD 3.52Å; A146-M336 PolarHBondContact N-SD 3.24Å
147	F	96.4	Very high	97.5	Very high	54 Å²	54	45 Å²	45	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.3	176.5	-58.7	-41.1	0	0	0	114	G145 M336 M340 R341	G145-F147 PolarHBondContact O-N 3.25Å; F147-M336 HydrophobicContact CD2-CB 3.89Å; F147-M336 HydrophobicContact CD2-CE 4.39Å; F147-M336 HydrophobicContact CD2-SD 4.26Å; F147-M336 HydrophobicContact CE2-CB 3.87Å; F147-M336 HydrophobicContact CE2-CE 4.02Å; F147-M336 HydrophobicContact CE2-SD 4.46Å; F147-M336 HydrophobicContact CZ-CE 4.16Å; F147-M340 HydrophobicContact CB-CB 3.71Å; F147-M340 HydrophobicContact CD2-CB 4.38Å; F147-M340 HydrophobicContact CG-CB 4.49Å; F147-R341 HydrophobicContact CD1-CG 4.39Å; F147-R341 HydrophobicContact CD2-CG 4.29Å; F147-R341 HydrophobicContact CE1-CG 4.28Å; F147-R341 HydrophobicContact CE2-CG 4.16Å; F147-R341 HydrophobicContact CG-CG 4.43Å; F147-R341 HydrophobicContact CZ-CG 4.18Å
148	G	96.3	Very high	97.6	Very high	26 Å²	26	41.7 Å²	41.7	27%	0.268	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	144.8	-171.5	177.5	0	0	0	0	0	113.7	G145	G145-G148 PolarHBondContact N-O 3.22Å; G145-G148 PolarHBondContact O-N 2.86Å; G145-G148 VanDerWaalsContact O-N 3.14Å; G145-G148 VanDerWaalsContact O-O 3.05Å
149	K	97.6	Very high	97.6	Very high	110 Å²	110	41.7 Å²	41.7	48%	0.478	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	160.4	-177.4	-61.2	-170	162.5	-157.6	0	111.7	E142 R143 C345	E142-K149 IonicContact OE1-NZ 3.69Å; E142-K149 PolarHBondContact OE1-NZ 2.79Å; R143-K149 CarbonylContact O-C 3.59Å; R143-K149 WeakPolarHBondContact O-CA 3.29Å; K149-C345 WeakPolarHBondContact O-CB 3.28Å
150	L	98.5	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	87.4	160.4	-54.1	180	0	0	0	106.9	Y140 E142 R143 W237 L324 T328 M340 C345	Y140-L150 WeakPolarHBondContact OH-CB 3.36Å; E142-L150 WeakPolarHBondContact CA-O 3.25Å; R143-L150 HydrophobicContact CB-CB 4.22Å; R143-L150 HydrophobicContact CB-CD1 4.27Å; R143-L150 HydrophobicContact CB-CG 4.45Å; R143-L150 PolarHBondContact N-O 2.87Å; R143-L150 VanDerWaalsContact N-O 3.17Å; R143-L150 PolarHBondContact O-N 2.79Å; L150-W237 HydrophobicContact CD2-CH2 3.52Å; L150-W237 HydrophobicContact CD2-CZ2 3.7Å; L150-L324 HydrophobicContact CD1-CB 3.86Å; L150-L324 HydrophobicContact CD1-CD2 3.85Å; L150-L324 HydrophobicContact CD1-CG 4.3Å; L150-T328 HydrophobicContact CD1-CG2 3.46Å; L150-T328 VanDerWaalsContact CD1-CG2 3.46Å; L150-T328 HydrophobicContact CG-CG2 3.58Å; L150-M340 HydrophobicContact CD2-CE 4.13Å; L150-C345 HydrophobicContact CD2-CB 3.71Å
151	P	98.4	Very high	97.7	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.143	22%	0.223	C	C	.	.			trans	-70.1	150.1	-169.3	29	-35.2	0	0	0	112.5	Y140 T153 C345 V346 G348	Y140-P151 VanDerWaalsContact CE1-O 3.25Å; Y140-P151 WeakPolarHBondContact CE1-O 3.5Å; P151-T153 HydrophobicContact CB-CG2 4.38Å; P151-T153 HydrophobicContact CG-CG2 4.4Å; P151-C345 WeakPolarHBondContact CD-O 3.23Å; P151-V346 WeakPolarHBondContact CG-O 3.07Å; P151-G348 VanDerWaalsContact O-CA 3.27Å; P151-G348 WeakPolarHBondContact O-CA 3.43Å; P151-G348 PolarHBondContact O-N 3.35Å
152	K	98.1	Very high	97.8	Very high	78 Å²	78	32.9 Å²	32.9	34%	0.339	20%	0.2	S	C	.	.			trans	-89	101.6	168	-175.4	-171.1	-170.9	-176.6	0	108.8	E139 Y140 E142	E139-K152 IonicContact OE1-NZ 3.68Å; E139-K152 PolarHBondContact OE1-NZ 2.8Å; Y140-K152 HydrophobicContact CD1-CB 3.84Å; Y140-K152 HydrophobicContact CD1-CG 4.01Å; Y140-K152 HydrophobicContact CE1-CB 4.32Å; Y140-K152 WeakPolarHBondContact O-CD 3.32Å; Y140-K152 VanDerWaalsContact O-CE 3.24Å; Y140-K152 WeakPolarHBondContact O-CE 3.26Å; Y140-K152 WeakPolarHBondContact O-CG 3.41Å; E142-K152 HydrophobicContact CB-CB 4.28Å
153	T	98.1	Very high	97.8	Very high	50 Å²	50	28.4 Å²	28.4	31%	0.307	18%	0.179	S	C	.	.			trans	-98	-17.2	179.6	54.1	0	0	0	0	113.9	Y77 P151 T347 G348	Y77-T153 WeakPolarHBondContact CE1-O 3.4Å; Y77-T153 PolarHBondContact OH-O 3.21Å; P151-T153 HydrophobicContact CB-CG2 4.38Å; P151-T153 HydrophobicContact CG-CG2 4.4Å; T153-T347 HydrophobicContact CG2-CG2 4.25Å; T153-T347 WeakPolarHBondContact OG1-CB 3.41Å; T153-G348 PolarHBondContact N-O 3.27Å; T153-G348 PolarHBondContact OG1-N 3.27Å; T153-G348 PolarHBondContact OG1-O 3.38Å
154	G	97.4	Very high	97.7	Very high	20 Å²	20	30.5 Å²	30.5	21%	0.206	19%	0.189	C	C	.	.			trans	69.7	-148.7	177.7	0	0	0	0	0	113.3	Y77 N349	Y77-G154 PolarHBondContact OH-O 2.68Å; G154-N349 VanDerWaalsContact C-ND2 3.35Å; G154-N349 PolarHBondContact O-ND2 2.82Å
155	G	98.4	Very high	97.7	Very high	14 Å²	14	30 Å²	30	14%	0.144	18%	0.182	C	C	.	.			trans	124.1	149.5	-174.6	0	0	0	0	0	111.2	G119	G119-G155 WeakPolarHBondContact CA-O 3.33Å
156	D	98.7	Very high	97.8	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	19%	0.189	C	C	.	.	S	Bend	trans	-96.8	-51.1	-172.5	-62.2	-72.6	0	0	0	111.5	I76 Y77 L78 F118 G119 F122	I76-D156 PolarHBondContact O-N 3.45Å; Y77-D156 WeakPolarHBondContact CA-OD2 3.1Å; L78-D156 HydrophobicContact CD1-CB 4.28Å; L78-D156 HydrophobicContact CG-CB 4.11Å; L78-D156 PolarHBondContact N-OD2 3.01Å; F118-D156 WeakPolarHBondContact CA-O 3.28Å; G119-D156 PolarHBondContact N-O 3.1Å; F122-D156 HydrophobicContact CB-CB 3.94Å; F122-D156 WeakPolarHBondContact CD1-O 3.05Å; F122-D156 HydrophobicContact CD2-CB 3.96Å; F122-D156 HydrophobicContact CG-CB 3.92Å
157	I	98.8	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.9	-178	-58.9	153.8	0	0	0	108.2	I76 L78 I91 V116 F118 F122 I159	I76-I157 HydrophobicContact CB-CB 4.3Å; I76-I157 HydrophobicContact CD1-CG2 4.49Å; I76-I157 PolarHBondContact N-O 2.88Å; I76-I157 PolarHBondContact O-N 3.1Å; L78-I157 HydrophobicContact CD1-CD1 4.06Å; L78-I157 HydrophobicContact CD2-CD1 4.32Å; L78-I157 HydrophobicContact CG-CD1 4.37Å; I91-I157 HydrophobicContact CD1-CD1 4.49Å; I91-I157 HydrophobicContact CD1-CG2 4.12Å; I91-I157 HydrophobicContact CG1-CD1 4Å; I91-I157 HydrophobicContact CG1-CG2 4.31Å; V116-I157 HydrophobicContact CG1-CG2 4.06Å; F118-I157 HydrophobicContact CD1-CG1 4.16Å; F118-I157 HydrophobicContact CE1-CG1 4.19Å; F122-I157 HydrophobicContact CD1-CG1 4.33Å; F122-I157 HydrophobicContact CE1-CD1 4.44Å; F122-I157 HydrophobicContact CE1-CG1 3.95Å; F122-I157 HydrophobicContact CZ-CD1 4.33Å; F122-I157 HydrophobicContact CZ-CG1 4.3Å; I157-I159 HydrophobicContact CG2-CD1 3.81Å
158	F	98.9	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	175.9	-179.2	-104.2	0	0	0	111	F73 L74 T75 V116 G117 H160 V234 I311 W351 F353	F73-F158 HydrophobicContact CB-CE2 3.98Å; F73-F158 HydrophobicContact CB-CZ 3.92Å; F73-F158 HydrophobicContact CD1-CZ 4.08Å; L74-F158 CarbonylContact O-C 3.49Å; L74-F158 VanDerWaalsContact O-CA 3.25Å; L74-F158 WeakPolarHBondContact O-CA 3.43Å; L74-F158 WeakPolarHBondContact O-CD2 3.46Å; T75-F158 WeakPolarHBondContact OG1-CD2 3.16Å; V116-F158 CarbonylContact C-O 3.39Å; V116-F158 WeakPolarHBondContact CA-O 3.36Å; G117-F158 PolarHBondContact N-O 2.85Å; G117-F158 PolarHBondContact O-N 3.22Å; F158-H160 HydrophobicContact CE1-CB 3.83Å; F158-V234 HydrophobicContact CD1-CG2 4.19Å; F158-V234 HydrophobicContact CE1-CG2 3.59Å; F158-V234 HydrophobicContact CE2-CG1 3.98Å; F158-V234 HydrophobicContact CE2-CG2 4.25Å; F158-V234 HydrophobicContact CZ-CB 4.35Å; F158-V234 HydrophobicContact CZ-CG1 3.84Å; F158-V234 HydrophobicContact CZ-CG2 3.63Å; F158-I311 HydrophobicContact CE1-CD1 3.75Å; F158-I311 HydrophobicContact CZ-CD1 4.26Å; F158-W351 HydrophobicContact CB-CD2 3.53Å; F158-W351 HydrophobicContact CB-CE3 3.31Å; F158-W351 HydrophobicContact CB-CG 4.36Å; F158-W351 HydrophobicContact CB-CH2 3.59Å; F158-W351 HydrophobicContact CB-CZ2 3.78Å; F158-W351 HydrophobicContact CB-CZ3 3.36Å; F158-W351 HydrophobicContact CD1-CD2 4.47Å; F158-W351 HydrophobicContact CD2-CZ2 4.2Å; F158-W351 HydrophobicContact CG-CD2 4.08Å; F158-W351 AromaticContact CG-CE2 4Å; F158-W351 HydrophobicContact CG-CE3 4.33Å; F158-W351 HydrophobicContact CG-CH2 4.45Å; F158-W351 HydrophobicContact CG-CZ2 4.2Å; F158-F353 HydrophobicContact CD1-CE1 4.39Å; F158-F353 HydrophobicContact CD1-CE2 4.44Å; F158-F353 AromaticContact CD1-CZ 3.64Å; F158-F353 HydrophobicContact CD1-CZ 3.64Å; F158-F353 AromaticContact CE1-CZ 3.96Å; F158-F353 HydrophobicContact CE1-CZ 3.96Å
159	I	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.2	175.2	-59.3	85.7	0	0	0	107.7	F73 L74 I76 I94 G115 V116 I157 A161 I176	F73-I159 WeakPolarHBondContact CA-O 3.43Å; L74-I159 HydrophobicContact CB-CB 4.18Å; L74-I159 HydrophobicContact CB-CD1 4.43Å; L74-I159 HydrophobicContact CD2-CD1 4.02Å; L74-I159 HydrophobicContact CG-CD1 4.15Å; L74-I159 PolarHBondContact N-O 3.26Å; L74-I159 PolarHBondContact O-N 2.99Å; I76-I159 HydrophobicContact CD1-CD1 3.75Å; I94-I159 HydrophobicContact CD1-CG1 4.29Å; I94-I159 HydrophobicContact CD1-CG2 4.07Å; G115-I159 WeakPolarHBondContact O-CA 3.29Å; V116-I159 HydrophobicContact CG2-CG1 4.36Å; I157-I159 HydrophobicContact CG2-CD1 3.81Å; I159-A161 HydrophobicContact CG2-CB 4.3Å; I159-I176 HydrophobicContact CD1-CD1 4.42Å; I159-I176 HydrophobicContact CG1-CD1 4.1Å; I159-I176 HydrophobicContact CG2-CD1 4.33Å
160	H	98.9	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110	164.6	179.7	-151.8	0	0	0	108.4	S62 L72 F73 Y114 G115 F158 K162 Q295 I311 Y313 F353	S62-H160 VanDerWaalsContact CB-O 3.28Å; S62-H160 WeakPolarHBondContact CB-O 3.3Å; S62-H160 PolarHBondContact OG-O 3.08Å; L72-H160 WeakPolarHBondContact O-CA 3.38Å; F73-H160 AromaticContact CD1-CD2 3.57Å; F73-H160 AromaticContact CE1-CD2 3.42Å; F73-H160 VanDerWaalsContact CE1-CD2 3.42Å; F73-H160 WeakPolarHBondContact CE1-CD2 3.41Å; F73-H160 AromaticContact CE1-NE2 3.42Å; F73-H160 WeakPolarHBondContact CE1-NE2 3.35Å; Y114-H160 CarbonylContact C-O 3.51Å; Y114-H160 VanDerWaalsContact CA-O 3.29Å; Y114-H160 WeakPolarHBondContact CA-O 3.29Å; G115-H160 PolarHBondContact N-O 3.43Å; G115-H160 PolarHBondContact O-N 3.05Å; F158-H160 HydrophobicContact CE1-CB 3.83Å; H160-K162 WeakPolarHBondContact CE1-CE 3.17Å; H160-Q295 PolarHBondContact CE1-OE1 3.2Å; H160-Q295 VanDerWaalsContact CE1-OE1 3.26Å; H160-I311 HydrophobicContact CB-CD1 3.99Å; H160-Y313 AromaticContact ND1-CE2 3.83Å; H160-Y313 AromaticContact ND1-CZ 3.73Å; H160-Y313 PolarHBondContact ND1-OH 2.83Å; H160-F353 HydrophobicContact CB-CE1 4.35Å; H160-F353 HydrophobicContact CB-CZ 4.46Å
161	A	98.7	Very high	98.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.5	175.6	0	0	0	0	0	111.1	S71 L72 I112 L113 I159 L169 L172	S71-A161 CarbonylContact C-O 3.57Å; S71-A161 WeakPolarHBondContact CA-O 3.33Å; S71-A161 WeakPolarHBondContact CB-O 2.99Å; L72-A161 HydrophobicContact CB-CB 4.2Å; L72-A161 HydrophobicContact CD2-CB 4.49Å; L72-A161 PolarHBondContact N-O 2.98Å; L72-A161 PolarHBondContact O-N 3.02Å; I112-A161 HydrophobicContact CG2-CB 3.92Å; L113-A161 CarbonylContact O-C 3.6Å; L113-A161 WeakPolarHBondContact O-CA 3.02Å; I159-A161 HydrophobicContact CG2-CB 4.3Å; A161-L169 HydrophobicContact CB-CD2 3.86Å; A161-L172 HydrophobicContact CB-CD2 3.77Å
162	K	98.2	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.7	-175.1	-53.6	173.2	-173.8	170.2	0	109.9	S62 S65 E66 K68 H70 I112 L113 H160	S62-K162 WeakPolarHBondContact O-CE 3.37Å; S62-K162 PolarHBondContact O-NZ 2.59Å; S65-K162 PolarHBondContact O-NZ 2.84Å; S65-K162 VanDerWaalsContact O-NZ 3.1Å; S65-K162 PolarHBondContact OG-NZ 3.08Å; E66-K162 PolarHBondContact O-NZ 3.37Å; K68-K162 HydrophobicContact CB-CB 4.21Å; K68-K162 HydrophobicContact CD-CB 4.33Å; K68-K162 HydrophobicContact CG-CB 4.29Å; H70-K162 WeakPolarHBondContact O-CA 2.99Å; I112-K162 WeakPolarHBondContact CA-O 3.49Å; L113-K162 PolarHBondContact N-O 3.22Å; L113-K162 PolarHBondContact O-N 3.26Å; H160-K162 WeakPolarHBondContact CE1-CE 3.17Å
163	S	97.7	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	156.6	172.2	-168.1	0	0	0	0	110.5	K68 H70 D110 E111 N165	K68-S163 VanDerWaalsContact CD-CA 3.47Å; H70-S163 WeakPolarHBondContact CA-O 3.16Å; H70-S163 WeakPolarHBondContact CB-O 3.28Å; H70-S163 PolarHBondContact N-O 2.9Å; H70-S163 PolarHBondContact O-N 2.96Å; H70-S163 VanDerWaalsContact O-O 3.07Å; D110-S163 PolarHBondContact O-OG 2.77Å; E111-S163 PolarHBondContact O-OG 3.03Å; S163-N165 PolarHBondContact O-N 3.3Å; S163-N165 PolarHBondContact OG-N 2.83Å
164	H	97.1	Very high	98.2	Very high	59 Å²	59	30 Å²	30	27%	0.273	16%	0.155	S	C	.	.	S	Bend	trans	-75.4	-6.6	164.6	-67.7	-63.4	0	0	0	112	D69 E109 D110	D69-H164 PolarHBondContact N-ND1 3.2Å; D69-H164 IonicContact OD1-CE1 3.24Å; D69-H164 IonicContact OD1-ND1 3.5Å; D69-H164 PolarHBondContact OD1-ND1 2.71Å; D69-H164 IonicContact OD2-CE1 2.75Å; D69-H164 IonicContact OD2-CG 3.21Å; D69-H164 IonicContact OD2-ND1 3.94Å; D69-H164 PolarHBondContact OD2-ND1 2.96Å; E109-H164 PolarHBondContact O-CD2 3.17Å; D110-H164 WeakPolarHBondContact OD1-CB 3.39Å
165	N	96.5	Very high	98.3	Very high	62 Å²	62	30 Å²	30	33%	0.332	15%	0.154	S	C	.	.			trans	-117.3	112.8	178.1	-170.9	-44.5	0	0	0	111.6	S163 G167 K168	S163-N165 PolarHBondContact O-N 3.3Å; S163-N165 PolarHBondContact OG-N 2.83Å; N165-G167 VanDerWaalsContact C-N 3.32Å; N165-G167 PolarHBondContact O-N 3Å; N165-G167 WeakPolarHBondContact OD1-CA 3.16Å; N165-G167 PolarHBondContact OD1-N 3.18Å; N165-K168 HydrophobicContact CB-CB 4.35Å; N165-K168 HydrophobicContact CB-CD 3.9Å; N165-K168 HydrophobicContact CB-CG 3.98Å; N165-K168 PolarHBondContact O-N 3.08Å; N165-K168 PolarHBondContact OD1-N 3.09Å
166	Y	97.1	Very high	98.3	Very high	102 Å²	102	29.4 Å²	29.4	40%	0.4	15%	0.147	S	C	.	.	H	α-helix	trans	-57.3	-42.1	176.7	-175.6	-77.3	0	0	0	113.1	H70 K168 L169 F170 Y192	H70-Y166 AromaticContact ND1-CD2 3.98Å; Y166-K168 VanDerWaalsContact C-N 3.28Å; Y166-K168 PolarHBondContact O-N 2.01Å; Y166-L169 WeakPolarHBondContact O-CB 3.3Å; Y166-L169 PolarHBondContact O-N 2.92Å; Y166-L169 VanDerWaalsContact O-N 3.1Å; Y166-F170 HydrophobicContact CE1-CB 4.45Å; Y166-F170 PolarHBondContact O-N 3.27Å; Y166-F170 VanDerWaalsContact O-N 3.12Å; Y166-Y192 HydrophobicContact CE1-CD1 4.42Å; Y166-Y192 HydrophobicContact CE1-CG 4.43Å; Y166-Y192 HydrophobicContact CE2-CD1 4.09Å; Y166-Y192 HydrophobicContact CE2-CD2 4.4Å; Y166-Y192 AromaticContact CE2-CG 3.69Å; Y166-Y192 HydrophobicContact CE2-CG 3.69Å; Y166-Y192 AromaticContact CZ-CD1 3.93Å; Y166-Y192 AromaticContact CZ-CD2 3.89Å; Y166-Y192 AromaticContact CZ-CG 3.55Å; Y166-Y192 WeakPolarHBondContact OH-CD2 3.43Å; Y166-Y192 VanDerWaalsContact OH-CG 3.26Å
167	G	98	Very high	98.3	Very high	31 Å²	31	29.7 Å²	29.7	32%	0.32	15%	0.148	S	C	.	.	H	α-helix	trans	-60.5	-38.1	-176.5	0	0	0	0	0	112.5	N165 L169 F170 E171	N165-G167 VanDerWaalsContact C-N 3.32Å; N165-G167 PolarHBondContact O-N 3Å; N165-G167 WeakPolarHBondContact OD1-CA 3.16Å; N165-G167 PolarHBondContact OD1-N 3.18Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.32Å; G167-F170 WeakPolarHBondContact O-CB 3.32Å; G167-F170 PolarHBondContact O-N 3.13Å; G167-E171 WeakPolarHBondContact O-CG 3.41Å; G167-E171 PolarHBondContact O-N 2.95Å
168	K	97.5	Very high	98.2	Very high	28 Å²	28	35.7 Å²	35.7	12%	0.122	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-37.6	176	-70.6	-175.7	178.7	166.5	0	112.9	I101 C102 D110 I112 N165 Y166 L172	I101-K168 HydrophobicContact CG2-CB 3.98Å; I101-K168 HydrophobicContact CG2-CG 3.91Å; C102-K168 HydrophobicContact CB-CD 4.1Å; C102-K168 VanDerWaalsContact SG-CE 3.56Å; C102-K168 PolarHBondContact SG-NZ 3.05Å; D110-K168 WeakPolarHBondContact O-CD 3.45Å; D110-K168 PolarHBondContact O-NZ 3.01Å; D110-K168 IonicContact OD2-NZ 3.63Å; I112-K168 HydrophobicContact CD1-CB 4.04Å; I112-K168 HydrophobicContact CG1-CB 4.15Å; N165-K168 HydrophobicContact CB-CB 4.35Å; N165-K168 HydrophobicContact CB-CD 3.9Å; N165-K168 HydrophobicContact CB-CG 3.98Å; N165-K168 PolarHBondContact O-N 3.08Å; N165-K168 PolarHBondContact OD1-N 3.09Å; Y166-K168 VanDerWaalsContact C-N 3.28Å; Y166-K168 PolarHBondContact O-N 2.01Å; K168-L172 WeakPolarHBondContact O-CB 3.44Å; K168-L172 PolarHBondContact O-N 2.85Å
169	L	98.5	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-38.4	177	-64.2	175.3	0	0	0	111.5	H70 L72 I112 A161 Y166 G167 L172 T173 Y192	H70-L169 HydrophobicContact CB-CD1 3.61Å; L72-L169 HydrophobicContact CB-CB 4.17Å; L72-L169 HydrophobicContact CB-CD2 4.13Å; I112-L169 HydrophobicContact CG2-CD2 4.25Å; A161-L169 HydrophobicContact CB-CD2 3.86Å; Y166-L169 WeakPolarHBondContact O-CB 3.3Å; Y166-L169 PolarHBondContact O-N 2.92Å; Y166-L169 VanDerWaalsContact O-N 3.1Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.32Å; L169-L172 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-N 3.42Å; L169-T173 PolarHBondContact O-OG1 3.32Å; L169-Y192 HydrophobicContact CB-CD1 4.27Å; L169-Y192 HydrophobicContact CB-CE1 4.21Å
170	F	98.6	Very high	98.2	Very high	91 Å²	91	40.3 Å²	40.3	40%	0.399	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-45.9	174.4	-174.4	-90.7	0	0	0	111.8	Y166 G167 L172 T173 Q174 Y192	Y166-F170 HydrophobicContact CE1-CB 4.45Å; Y166-F170 PolarHBondContact O-N 3.27Å; Y166-F170 VanDerWaalsContact O-N 3.12Å; G167-F170 WeakPolarHBondContact O-CB 3.32Å; G167-F170 PolarHBondContact O-N 3.13Å; F170-L172 VanDerWaalsContact C-N 3.27Å; F170-L172 PolarHBondContact O-N 3.08Å; F170-T173 WeakPolarHBondContact O-CB 3.4Å; F170-T173 PolarHBondContact O-N 3.18Å; F170-Q174 HydrophobicContact CD1-CG 4.3Å; F170-Q174 HydrophobicContact CE1-CG 4.03Å; F170-Q174 PolarHBondContact O-N 3.3Å; F170-Q174 VanDerWaalsContact O-N 3.07Å; F170-Y192 HydrophobicContact CB-CE1 4.34Å; F170-Y192 HydrophobicContact CD2-CE2 4.38Å; F170-Y192 AromaticContact CD2-CZ 3.93Å
171	E	98.5	Very high	98.1	Very high	96 Å²	96	41.9 Å²	41.9	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-36.1	174.8	-72.1	178.2	-171.6	0	0	112	I101 G167 Q174 A175	I101-E171 HydrophobicContact CD1-CB 3.9Å; I101-E171 HydrophobicContact CG1-CB 4.03Å; I101-E171 HydrophobicContact CG2-CB 4.37Å; I101-E171 WeakPolarHBondContact CG2-OE2 3.45Å; G167-E171 WeakPolarHBondContact O-CG 3.41Å; G167-E171 PolarHBondContact O-N 2.95Å; E171-Q174 PolarHBondContact O-N 2.93Å; E171-A175 WeakPolarHBondContact O-CB 3.48Å; E171-A175 PolarHBondContact O-N 2.91Å
172	L	98.7	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-43.4	174.9	179.2	61.4	0	0	0	111.6	L72 I94 V98 I101 I112 A161 K168 L169 F170 Q174 A175 I176	L72-L172 HydrophobicContact CD2-CD2 4.43Å; I94-L172 HydrophobicContact CG1-CD1 4.29Å; V98-L172 HydrophobicContact CG2-CD1 3.94Å; V98-L172 HydrophobicContact CG2-CD2 4.28Å; I101-L172 HydrophobicContact CD1-CB 3.91Å; I101-L172 HydrophobicContact CD1-CD1 4.37Å; I112-L172 HydrophobicContact CG2-CD2 3.89Å; A161-L172 HydrophobicContact CB-CD2 3.77Å; K168-L172 WeakPolarHBondContact O-CB 3.44Å; K168-L172 PolarHBondContact O-N 2.85Å; L169-L172 PolarHBondContact O-N 3.49Å; F170-L172 VanDerWaalsContact C-N 3.27Å; F170-L172 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.98Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-I176 HydrophobicContact CD1-CD1 3.89Å; L172-I176 HydrophobicContact CD1-CG1 4.11Å; L172-I176 HydrophobicContact CD2-CD1 4.47Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 2.76Å
173	T	98.8	Very high	97.9	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-56.4	-48	173.3	-58	0	0	0	0	110.9	L72 L74 L169 F170 A175 I176 I177 F188 D190 Y192	L72-T173 VanDerWaalsContact CD1-OG1 3.24Å; L72-T173 WeakPolarHBondContact CD1-OG1 3.48Å; L72-T173 VanDerWaalsContact CD2-OG1 3.31Å; L72-T173 WeakPolarHBondContact CD2-OG1 3.27Å; L74-T173 HydrophobicContact CD1-CG2 4.31Å; L74-T173 HydrophobicContact CD2-CG2 4.21Å; L169-T173 PolarHBondContact O-N 3.42Å; L169-T173 PolarHBondContact O-OG1 3.32Å; F170-T173 WeakPolarHBondContact O-CB 3.4Å; F170-T173 PolarHBondContact O-N 3.18Å; T173-A175 PolarHBondContact O-N 2.98Å; T173-I176 PolarHBondContact O-N 2.82Å; T173-I177 HydrophobicContact CG2-CG1 4.34Å; T173-I177 WeakPolarHBondContact O-CG1 3.41Å; T173-I177 PolarHBondContact O-N 3.29Å; T173-F188 HydrophobicContact CG2-CE2 4.43Å; T173-D190 HydrophobicContact CG2-CB 3.92Å; T173-Y192 WeakPolarHBondContact CB-OH 3.43Å; T173-Y192 PolarHBondContact OG1-OH 2.92Å
174	Q	98.7	Very high	97.9	Very high	91 Å²	91	58 Å²	58	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-58.4	-49.9	177.6	-66.8	-179.2	-55.1	0	0	111.3	F170 E171 L172 I176 I177 D178	F170-Q174 HydrophobicContact CD1-CG 4.3Å; F170-Q174 HydrophobicContact CE1-CG 4.03Å; F170-Q174 PolarHBondContact O-N 3.3Å; F170-Q174 VanDerWaalsContact O-N 3.07Å; E171-Q174 PolarHBondContact O-N 2.93Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.98Å; Q174-I176 VanDerWaalsContact C-N 3.34Å; Q174-I176 PolarHBondContact O-N 3.01Å; Q174-I177 PolarHBondContact O-N 2.77Å; Q174-D178 VanDerWaalsContact O-CB 3.25Å; Q174-D178 WeakPolarHBondContact O-CB 3.23Å; Q174-D178 VanDerWaalsContact O-CG 3.26Å; Q174-D178 PolarHBondContact O-N 3Å
175	A	98.6	Very high	98	Very high	21 Å²	21	57 Å²	57	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-42	-179.2	0	0	0	0	0	112.6	Y97 E171 L172 T173 N179	Y97-A175 HydrophobicContact CD1-CB 4.31Å; Y97-A175 HydrophobicContact CD2-CB 4.47Å; Y97-A175 HydrophobicContact CG-CB 3.97Å; E171-A175 WeakPolarHBondContact O-CB 3.48Å; E171-A175 PolarHBondContact O-N 2.91Å; L172-A175 PolarHBondContact O-N 3.45Å; T173-A175 PolarHBondContact O-N 2.98Å; A175-N179 WeakPolarHBondContact O-CB 3.29Å; A175-N179 PolarHBondContact O-N 3.21Å; A175-N179 PolarHBondContact O-ND2 2.94Å
176	I	98.7	Very high	98.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-52.1	177.3	-68.9	164.6	0	0	0	110.6	L74 I76 I91 I94 Y97 I159 L172 T173 Q174 N179 L180	L74-I176 HydrophobicContact CD2-CB 4.39Å; L74-I176 HydrophobicContact CD2-CD1 4.12Å; L74-I176 HydrophobicContact CD2-CG2 4.14Å; I76-I176 HydrophobicContact CD1-CG2 3.97Å; I91-I176 HydrophobicContact CD1-CG2 3.93Å; I94-I176 HydrophobicContact CD1-CD1 3.98Å; I94-I176 HydrophobicContact CG1-CD1 4.45Å; Y97-I176 HydrophobicContact CD2-CG1 4.08Å; I159-I176 HydrophobicContact CD1-CD1 4.42Å; I159-I176 HydrophobicContact CG1-CD1 4.1Å; I159-I176 HydrophobicContact CG2-CD1 4.33Å; L172-I176 HydrophobicContact CD1-CD1 3.89Å; L172-I176 HydrophobicContact CD1-CG1 4.11Å; L172-I176 HydrophobicContact CD2-CD1 4.47Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 2.76Å; T173-I176 PolarHBondContact O-N 2.82Å; Q174-I176 VanDerWaalsContact C-N 3.34Å; Q174-I176 PolarHBondContact O-N 3.01Å; I176-N179 PolarHBondContact O-N 3.33Å; I176-L180 HydrophobicContact CG2-CD1 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.5Å; I176-L180 PolarHBondContact O-N 2.84Å
177	I	98.6	Very high	98.2	Very high	34 Å²	34	58.3 Å²	58.3	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-42.2	-174.4	-63.5	-58.8	0	0	0	111.5	L74 I76 T173 Q174 N179 L180 F188	L74-I177 HydrophobicContact CD1-CD1 4.49Å; I76-I177 HydrophobicContact CD1-CD1 4.15Å; I76-I177 HydrophobicContact CG1-CD1 4.13Å; T173-I177 HydrophobicContact CG2-CG1 4.34Å; T173-I177 WeakPolarHBondContact O-CG1 3.41Å; T173-I177 PolarHBondContact O-N 3.29Å; Q174-I177 PolarHBondContact O-N 2.77Å; I177-N179 VanDerWaalsContact C-N 3.25Å; I177-N179 PolarHBondContact O-N 2.76Å; I177-L180 HydrophobicContact CD1-CD1 4.29Å; I177-L180 PolarHBondContact O-N 2.83Å; I177-F188 HydrophobicContact CD1-CB 4.05Å; I177-F188 HydrophobicContact CD1-CD1 3.78Å; I177-F188 HydrophobicContact CD1-CD2 4.16Å; I177-F188 HydrophobicContact CD1-CE1 4.25Å; I177-F188 HydrophobicContact CD1-CG 3.72Å; I177-F188 HydrophobicContact CG1-CD1 4.21Å; I177-F188 HydrophobicContact CG1-CD2 4.32Å; I177-F188 HydrophobicContact CG1-CE1 4.18Å; I177-F188 HydrophobicContact CG1-CE2 4.29Å; I177-F188 HydrophobicContact CG1-CG 4.28Å; I177-F188 HydrophobicContact CG1-CZ 4.22Å; I177-F188 HydrophobicContact CG2-CD1 4.32Å; I177-F188 HydrophobicContact CG2-CE1 3.89Å; I177-F188 HydrophobicContact CG2-CZ 4.39Å
178	D	98.2	Very high	98.2	Very high	126 Å²	126	60.9 Å²	60.9	67%	0.674	31%	0.31	S	S	*	.	H	α-helix	trans	-69.7	-21.8	-177.7	-71.3	-16.3	0	0	0	113.2	Q174	Q174-D178 VanDerWaalsContact O-CB 3.25Å; Q174-D178 WeakPolarHBondContact O-CB 3.23Å; Q174-D178 VanDerWaalsContact O-CG 3.26Å; Q174-D178 PolarHBondContact O-N 3Å
179	N	98	Very high	98.2	Very high	87 Å²	87	62.1 Å²	62.1	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-98.8	-5	179	-74.5	-91.3	0	0	0	113.8	S90 Y97 A175 I176 I177	S90-N179 WeakPolarHBondContact CB-O 3.29Å; S90-N179 PolarHBondContact OG-O 2.9Å; Y97-N179 HydrophobicContact CE1-CB 4.12Å; Y97-N179 HydrophobicContact CE2-CB 4.41Å; Y97-N179 WeakPolarHBondContact OH-CB 3.15Å; A175-N179 WeakPolarHBondContact O-CB 3.29Å; A175-N179 PolarHBondContact O-N 3.21Å; A175-N179 PolarHBondContact O-ND2 2.94Å; I176-N179 PolarHBondContact O-N 3.33Å; I177-N179 VanDerWaalsContact C-N 3.25Å; I177-N179 PolarHBondContact O-N 2.76Å
180	L	98.3	Very high	98.2	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.058	33%	0.33	C	S	.	.	S	Bend	trans	-68.7	149.6	169.9	-79	166.8	0	0	0	110.1	I76 C87 S90 I91 I176 I177 V185	I76-L180 HydrophobicContact CD1-CD1 4.09Å; I76-L180 HydrophobicContact CG2-CD1 4.36Å; C87-L180 HydrophobicContact CB-CD2 4.26Å; S90-L180 PolarHBondContact OG-N 2.86Å; I91-L180 HydrophobicContact CD1-CD2 4.3Å; I91-L180 HydrophobicContact CG1-CD2 4.28Å; I176-L180 HydrophobicContact CG2-CD1 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.5Å; I176-L180 PolarHBondContact O-N 2.84Å; I177-L180 HydrophobicContact CD1-CD1 4.29Å; I177-L180 PolarHBondContact O-N 2.83Å; L180-V185 HydrophobicContact CB-CG2 4.18Å; L180-V185 HydrophobicContact CD1-CG2 3.53Å; L180-V185 HydrophobicContact CG-CG2 4.46Å
181	P	97.7	Very high	98.2	Very high	32 Å²	32	61.2 Å²	61.2	21%	0.208	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-55.2	140.5	-179.3	-25.2	33.3	0	0	0	111.8	E86 R183 S184	E86-P181 HydrophobicContact CB-CG 3.64Å; P181-R183 PolarHBondContact O-N 2.6Å; P181-S184 WeakPolarHBondContact O-CB 3.28Å; P181-S184 PolarHBondContact O-N 3.34Å; P181-S184 PolarHBondContact O-OG 2.79Å
182	P	96.8	Very high	98.2	Very high	120 Å²	120	57.8 Å²	57.8	78%	0.779	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	135.3	-179.5	-27.5	34.4	0	0	0	112.3	S184	P182-S184 PolarHBondContact O-N 2.85Å
183	R	96	Very high	98.2	Very high	217 Å²	217	57.8 Å²	57.8	82%	0.819	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	5.9	-178	-50.4	177.8	-69.1	171.8	0.4	115.3	S79 P181 V185	S79-R183 WeakPolarHBondContact CB-O 3.41Å; S79-R183 PolarHBondContact OG-O 3.39Å; P181-R183 PolarHBondContact O-N 2.6Å; R183-V185 VanDerWaalsContact C-N 3.32Å; R183-V185 PolarHBondContact O-N 3.39Å
184	S	98.2	Very high	98.2	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.021	31%	0.311	C	S	.	.			trans	-75.4	-18.1	177.7	66	0	0	0	0	114.2	L78 S79 P181 P182	L78-S184 CarbonylContact C-O 3.16Å; L78-S184 VanDerWaalsContact CA-O 3.23Å; L78-S184 WeakPolarHBondContact CA-O 3.35Å; L78-S184 WeakPolarHBondContact CD2-O 3.29Å; S79-S184 PolarHBondContact N-O 2.88Å; P181-S184 WeakPolarHBondContact O-CB 3.28Å; P181-S184 PolarHBondContact O-N 3.34Å; P181-S184 PolarHBondContact O-OG 2.79Å; P182-S184 PolarHBondContact O-N 2.85Å
185	V	98.4	Very high	98.1	Very high	38 Å²	38	59.3 Å²	59.3	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.2	179.2	-179.9	0	0	0	0	109.1	I76 L180 R183 K187 F188	I76-V185 HydrophobicContact CG2-CG1 4.27Å; I76-V185 HydrophobicContact CG2-CG2 4.16Å; L180-V185 HydrophobicContact CB-CG2 4.18Å; L180-V185 HydrophobicContact CD1-CG2 3.53Å; L180-V185 HydrophobicContact CG-CG2 4.46Å; R183-V185 VanDerWaalsContact C-N 3.32Å; R183-V185 PolarHBondContact O-N 3.39Å; V185-K187 WeakPolarHBondContact CG1-O 3.25Å; V185-F188 HydrophobicContact CG1-CB 4.27Å; V185-F188 HydrophobicContact CG1-CD1 4.08Å
186	A	98.4	Very high	98.1	Very high	65 Å²	65	61.6 Å²	61.6	54%	0.537	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-42.5	172.9	0	0	0	0	0	111	Y77 S79	Y77-A186 PolarHBondContact O-N 3.4Å; S79-A186 PolarHBondContact OG-N 2.94Å
187	K	98.4	Very high	97.9	Very high	125 Å²	125	70.2 Å²	70.2	54%	0.543	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	160.1	169.9	61.8	172.8	-175.7	167.9	0	109.7	Y77 V185	Y77-K187 HydrophobicContact CD2-CD 4.13Å; Y77-K187 VanDerWaalsContact CD2-CE 3.47Å; Y77-K187 HydrophobicContact CD2-CG 3.7Å; Y77-K187 HydrophobicContact CG-CD 4.41Å; Y77-K187 HydrophobicContact CG-CG 3.89Å; Y77-K187 PolarHBondContact N-O 2.92Å; Y77-K187 PolarHBondContact O-N 2.96Å; V185-K187 WeakPolarHBondContact CG1-O 3.25Å
188	F	98.5	Very high	97.6	Very high	86 Å²	86	73.2 Å²	73.2	38%	0.377	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.3	163.9	68.4	-87.8	0	0	0	109.4	L74 T75 I76 T173 I177 V185 D190	L74-F188 HydrophobicContact CD1-CB 4.1Å; L74-F188 HydrophobicContact CD1-CD2 3.72Å; L74-F188 HydrophobicContact CD1-CG 4.29Å; T75-F188 CarbonylContact O-C 3.6Å; T75-F188 WeakPolarHBondContact O-CA 3.47Å; T75-F188 WeakPolarHBondContact O-CB 3.32Å; I76-F188 HydrophobicContact CG1-CB 4.09Å; T173-F188 HydrophobicContact CG2-CE2 4.43Å; I177-F188 HydrophobicContact CD1-CB 4.05Å; I177-F188 HydrophobicContact CD1-CD1 3.78Å; I177-F188 HydrophobicContact CD1-CD2 4.16Å; I177-F188 HydrophobicContact CD1-CE1 4.25Å; I177-F188 HydrophobicContact CD1-CG 3.72Å; I177-F188 HydrophobicContact CG1-CD1 4.21Å; I177-F188 HydrophobicContact CG1-CD2 4.32Å; I177-F188 HydrophobicContact CG1-CE1 4.18Å; I177-F188 HydrophobicContact CG1-CE2 4.29Å; I177-F188 HydrophobicContact CG1-CG 4.28Å; I177-F188 HydrophobicContact CG1-CZ 4.22Å; I177-F188 HydrophobicContact CG2-CD1 4.32Å; I177-F188 HydrophobicContact CG2-CE1 3.89Å; I177-F188 HydrophobicContact CG2-CZ 4.39Å; V185-F188 HydrophobicContact CG1-CB 4.27Å; V185-F188 HydrophobicContact CG1-CD1 4.08Å; F188-D190 HydrophobicContact CD2-CB 4.46Å; F188-D190 HydrophobicContact CE2-CB 4.43Å
189	E	98.2	Very high	97.4	Very high	53 Å²	53	68.7 Å²	68.7	25%	0.248	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.2	172.4	-178.7	174.6	-158.9	0	0	107.7	L74 T75 I191 K236	L74-E189 WeakPolarHBondContact CA-O 3.33Å; T75-E189 PolarHBondContact N-O 2.96Å; T75-E189 PolarHBondContact O-N 3.41Å; E189-I191 HydrophobicContact CG-CD1 4.09Å; E189-I191 HydrophobicContact CG-CG1 4Å; E189-I191 WeakPolarHBondContact OE1-CD1 3.44Å; E189-K236 IonicContact OE1-NZ 2.8Å; E189-K236 PolarHBondContact OE1-NZ 3.36Å
190	D	98.2	Very high	97.4	Very high	57 Å²	57	65.8 Å²	65.8	31%	0.305	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.5	173	62.1	-37.6	0	0	0	110.1	L72 L74 T173 F188 Y192	L72-D190 HydrophobicContact CD1-CB 4.24Å; L74-D190 HydrophobicContact CD1-CB 4.1Å; T173-D190 HydrophobicContact CG2-CB 3.92Å; F188-D190 HydrophobicContact CD2-CB 4.46Å; F188-D190 HydrophobicContact CE2-CB 4.43Å; D190-Y192 HydrophobicContact CB-CE2 4.05Å; D190-Y192 WeakPolarHBondContact OD2-CE2 3.25Å; D190-Y192 PolarHBondContact OD2-OH 2.87Å
191	I	98.6	Very high	97.3	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.082	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.3	173.8	-64.5	170.8	0	0	0	108.3	F73 E189 K236 Y299 L309	F73-I191 HydrophobicContact CB-CB 4.42Å; F73-I191 HydrophobicContact CD2-CG2 4.31Å; F73-I191 WeakPolarHBondContact CD2-O 3.48Å; F73-I191 PolarHBondContact N-O 2.86Å; F73-I191 PolarHBondContact O-N 3.38Å; E189-I191 HydrophobicContact CG-CD1 4.09Å; E189-I191 HydrophobicContact CG-CG1 4Å; E189-I191 WeakPolarHBondContact OE1-CD1 3.44Å; I191-K236 HydrophobicContact CD1-CD 3.71Å; I191-K236 HydrophobicContact CD1-CG 4.24Å; I191-Y299 HydrophobicContact CG2-CD1 4.47Å; I191-Y299 HydrophobicContact CG2-CD2 3.9Å; I191-Y299 HydrophobicContact CG2-CG 3.74Å; I191-L309 HydrophobicContact CD1-CD1 3.57Å; I191-L309 HydrophobicContact CG2-CB 4.49Å; I191-L309 HydrophobicContact CG2-CD1 4.25Å
192	Y	98.6	Very high	97.3	Very high	24 Å²	24	65.6 Å²	65.6	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.4	175.7	-56.1	-90.6	0	0	0	109.8	S71 L72 Y166 L169 F170 T173 D190	S71-Y192 CarbonylContact O-C 3.45Å; S71-Y192 VanDerWaalsContact O-CA 3.3Å; S71-Y192 WeakPolarHBondContact O-CA 3.31Å; L72-Y192 HydrophobicContact CD1-CD1 4.1Å; L72-Y192 HydrophobicContact CD1-CE1 3.63Å; Y166-Y192 HydrophobicContact CE1-CD1 4.42Å; Y166-Y192 HydrophobicContact CE1-CG 4.43Å; Y166-Y192 HydrophobicContact CE2-CD1 4.09Å; Y166-Y192 HydrophobicContact CE2-CD2 4.4Å; Y166-Y192 AromaticContact CE2-CG 3.69Å; Y166-Y192 HydrophobicContact CE2-CG 3.69Å; Y166-Y192 AromaticContact CZ-CD1 3.93Å; Y166-Y192 AromaticContact CZ-CD2 3.89Å; Y166-Y192 AromaticContact CZ-CG 3.55Å; Y166-Y192 WeakPolarHBondContact OH-CD2 3.43Å; Y166-Y192 VanDerWaalsContact OH-CG 3.26Å; L169-Y192 HydrophobicContact CB-CD1 4.27Å; L169-Y192 HydrophobicContact CB-CE1 4.21Å; F170-Y192 HydrophobicContact CB-CE1 4.34Å; F170-Y192 HydrophobicContact CD2-CE2 4.38Å; F170-Y192 AromaticContact CD2-CZ 3.93Å; T173-Y192 WeakPolarHBondContact CB-OH 3.43Å; T173-Y192 PolarHBondContact OG1-OH 2.92Å; D190-Y192 HydrophobicContact CB-CE2 4.05Å; D190-Y192 WeakPolarHBondContact OD2-CE2 3.25Å; D190-Y192 PolarHBondContact OD2-OH 2.87Å
193	G	98.5	Very high	97.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	156.8	172.8	0	0	0	0	0	112.1	H70 S71 Q297 P298	H70-G193 VanDerWaalsContact CA-O 3.3Å; H70-G193 WeakPolarHBondContact CA-O 3.32Å; S71-G193 PolarHBondContact N-O 3.35Å; S71-G193 PolarHBondContact O-N 3.44Å; G193-Q297 VanDerWaalsContact C-OE1 3.29Å; G193-P298 VanDerWaalsContact CA-O 3.23Å; G193-P298 WeakPolarHBondContact CA-O 3.25Å
194	W	98.3	Very high	97.4	Very high	80 Å²	80	51 Å²	51	30%	0.303	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.1	175.2	55.8	-88.3	0	0	0	111.4	D69 Y196 L202 P298	D69-W194 CarbonylContact O-C 3.43Å; D69-W194 VanDerWaalsContact O-CA 3.25Å; D69-W194 WeakPolarHBondContact O-CA 3.32Å; W194-Y196 AromaticContact CH2-CD2 3.39Å; W194-Y196 HydrophobicContact CH2-CD2 3.39Å; W194-Y196 HydrophobicContact CH2-CE2 4.25Å; W194-Y196 AromaticContact CH2-CG 3.83Å; W194-Y196 HydrophobicContact CH2-CG 3.83Å; W194-Y196 VanDerWaalsContact CZ3-CA 3.42Å; W194-Y196 AromaticContact CZ3-CD2 3.43Å; W194-Y196 HydrophobicContact CZ3-CD2 3.43Å; W194-Y196 VanDerWaalsContact CZ3-CD2 3.43Å; W194-Y196 AromaticContact CZ3-CG 3.84Å; W194-Y196 HydrophobicContact CZ3-CG 3.84Å; W194-Y196 PolarHBondContact O-N 3.33Å; W194-L202 HydrophobicContact CH2-CD2 3.84Å; W194-L202 HydrophobicContact CZ2-CD2 3.86Å; W194-P298 HydrophobicContact CD2-CB 4.39Å; W194-P298 HydrophobicContact CZ2-CB 4.06Å; W194-P298 PolarHBondContact N-O 2.94Å; W194-P298 VanDerWaalsContact N-O 3.08Å; W194-P298 VanDerWaalsContact O-CD 3.29Å; W194-P298 WeakPolarHBondContact O-CD 3.27Å
195	V	97.8	Very high	97.4	Very high	49 Å²	49	51.4 Å²	51.4	30%	0.297	26%	0.259	S	S	.	.			trans	-73.3	115.5	177.2	173.9	0	0	0	0	110.3	K68 D69 R197	K68-V195 WeakPolarHBondContact O-CG2 3.26Å; D69-V195 PolarHBondContact O-N 3.28Å; V195-R197 WeakPolarHBondContact CG1-O 3.47Å
196	Y	97.2	Very high	97.3	Very high	68 Å²	68	51.8 Å²	51.8	27%	0.267	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-88.8	117.2	171.9	-178.7	-123.8	0	0	0	110.9	W194 D198 G199 R200 L202	W194-Y196 AromaticContact CH2-CD2 3.39Å; W194-Y196 HydrophobicContact CH2-CD2 3.39Å; W194-Y196 HydrophobicContact CH2-CE2 4.25Å; W194-Y196 AromaticContact CH2-CG 3.83Å; W194-Y196 HydrophobicContact CH2-CG 3.83Å; W194-Y196 VanDerWaalsContact CZ3-CA 3.42Å; W194-Y196 AromaticContact CZ3-CD2 3.43Å; W194-Y196 HydrophobicContact CZ3-CD2 3.43Å; W194-Y196 VanDerWaalsContact CZ3-CD2 3.43Å; W194-Y196 AromaticContact CZ3-CG 3.84Å; W194-Y196 HydrophobicContact CZ3-CG 3.84Å; W194-Y196 PolarHBondContact O-N 3.33Å; Y196-D198 PolarHBondContact O-N 3.32Å; Y196-G199 PolarHBondContact O-N 3.42Å; Y196-R200 WeakPolarHBondContact CB-O 3.48Å; Y196-R200 HydrophobicContact CD1-CB 4Å; Y196-R200 PolarHBondContact O-N 2.87Å; Y196-L202 HydrophobicContact CD1-CD2 4.02Å; Y196-L202 HydrophobicContact CD2-CD2 4.36Å; Y196-L202 HydrophobicContact CE1-CD2 4.42Å; Y196-L202 HydrophobicContact CG-CD2 3.99Å
197	R	95.1	Very high	96.9	Very high	184 Å²	184	50.3 Å²	50.3	69%	0.694	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-125.7	-178.8	-57	-179.3	175.2	-132.9	0.1	110.8	V195 G199	V195-R197 WeakPolarHBondContact CG1-O 3.47Å; R197-G199 VanDerWaalsContact C-N 3.28Å; R197-G199 PolarHBondContact O-N 3.34Å
198	D	92.1	Very high	96.5	Very high	96 Å²	96	45 Å²	45	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	39.4	179.4	53.7	-42.7	0	0	0	112.7	Y196 R200	Y196-D198 PolarHBondContact O-N 3.32Å; D198-R200 VanDerWaalsContact CG-NE 3.33Å; D198-R200 VanDerWaalsContact OD1-CD 3.28Å; D198-R200 WeakPolarHBondContact OD1-CD 3.28Å; D198-R200 IonicContact OD1-CZ 3.2Å; D198-R200 IonicContact OD1-NE 2.71Å; D198-R200 PolarHBondContact OD1-NE 3.31Å; D198-R200 IonicContact OD1-NH2 3.23Å; D198-R200 IonicContact OD2-CZ 3.48Å; D198-R200 IonicContact OD2-NE 2.88Å; D198-R200 PolarHBondContact OD2-NE 3.01Å; D198-R200 IonicContact OD2-NH2 2.66Å; D198-R200 PolarHBondContact OD2-NH2 3.02Å
199	G	93.9	Very high	96	Very high	31 Å²	31	42.9 Å²	42.9	32%	0.32	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	37.5	179.2	0	0	0	0	0	113.8	Y196 R197 D207	Y196-G199 PolarHBondContact O-N 3.42Å; R197-G199 VanDerWaalsContact C-N 3.28Å; R197-G199 PolarHBondContact O-N 3.34Å; G199-D207 PolarHBondContact O-N 3.1Å
200	R	97.4	Very high	95.6	Very high	27 Å²	27	45 Å²	45	10%	0.102	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-92.8	152.2	-179.7	-67.2	175.8	-174.9	-87.7	-10.4	112	Y196 D198 G204 F205 I206 I260 E261 P298	Y196-R200 WeakPolarHBondContact CB-O 3.48Å; Y196-R200 HydrophobicContact CD1-CB 4Å; Y196-R200 PolarHBondContact O-N 2.87Å; D198-R200 VanDerWaalsContact CG-NE 3.33Å; D198-R200 VanDerWaalsContact OD1-CD 3.28Å; D198-R200 WeakPolarHBondContact OD1-CD 3.28Å; D198-R200 IonicContact OD1-CZ 3.2Å; D198-R200 IonicContact OD1-NE 2.71Å; D198-R200 PolarHBondContact OD1-NE 3.31Å; D198-R200 IonicContact OD1-NH2 3.23Å; D198-R200 IonicContact OD2-CZ 3.48Å; D198-R200 IonicContact OD2-NE 2.88Å; D198-R200 PolarHBondContact OD2-NE 3.01Å; D198-R200 IonicContact OD2-NH2 2.66Å; D198-R200 PolarHBondContact OD2-NH2 3.02Å; R200-G204 WeakPolarHBondContact CD-O 3.42Å; R200-G204 PolarHBondContact NH1-O 2.87Å; R200-F205 CarbonylContact C-O 3.56Å; R200-F205 VanDerWaalsContact CA-O 3.27Å; R200-F205 WeakPolarHBondContact CA-O 3.28Å; R200-I206 HydrophobicContact CG-CG1 4.09Å; R200-I260 PolarHBondContact NH1-O 3.45Å; R200-E261 PolarHBondContact NH2-O 3.39Å; R200-P298 VanDerWaalsContact O-CG 3.26Å; R200-P298 WeakPolarHBondContact O-CG 3.48Å
201	D	97.8	Very high	95.4	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.064	22%	0.219	C	C	.	.			trans	-71.6	161.8	157.9	176	49.6	0	0	0	110.7	S203 G204 F205 H239 L308	D201-S203 PolarHBondContact O-N 2.79Å; D201-S203 WeakPolarHBondContact OD2-CB 3.43Å; D201-S203 PolarHBondContact OD2-N 2.88Å; D201-S203 PolarHBondContact OD2-OG 2.99Å; D201-G204 WeakPolarHBondContact O-CA 3.31Å; D201-G204 PolarHBondContact O-N 3.48Å; D201-F205 PolarHBondContact N-O 3.2Å; D201-H239 VanDerWaalsContact CG-NE2 3.25Å; D201-H239 IonicContact OD1-CD2 3.31Å; D201-H239 IonicContact OD1-CE1 3.12Å; D201-H239 IonicContact OD1-NE2 2.7Å; D201-H239 PolarHBondContact OD1-NE2 3.26Å; D201-H239 IonicContact OD2-CD2 2.82Å; D201-H239 IonicContact OD2-CE1 2.66Å; D201-H239 IonicContact OD2-NE2 3.2Å; D201-H239 PolarHBondContact OD2-NE2 3.3Å; D201-L308 HydrophobicContact CB-CD1 4.48Å
202	L	97.7	Very high	95.2	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.141	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.1	177.3	-60.2	-176.7	0	0	0	113.5	W194 Y196 G204 M241 P298 A306	W194-L202 HydrophobicContact CH2-CD2 3.84Å; W194-L202 HydrophobicContact CZ2-CD2 3.86Å; Y196-L202 HydrophobicContact CD1-CD2 4.02Å; Y196-L202 HydrophobicContact CD2-CD2 4.36Å; Y196-L202 HydrophobicContact CE1-CD2 4.42Å; Y196-L202 HydrophobicContact CG-CD2 3.99Å; L202-G204 PolarHBondContact O-N 2.81Å; L202-M241 HydrophobicContact CB-CE 4.48Å; L202-P298 HydrophobicContact CD1-CB 4.43Å; L202-P298 HydrophobicContact CD2-CB 3.9Å; L202-P298 HydrophobicContact CD2-CG 4.3Å; L202-P298 HydrophobicContact CG-CB 3.91Å; L202-P298 HydrophobicContact CG-CG 4.37Å; L202-A306 HydrophobicContact CD1-CB 3.87Å
203	S	97	Very high	94.8	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.084	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.5	166.4	62.2	0	0	0	0	114	D201 F205	D201-S203 PolarHBondContact O-N 2.79Å; D201-S203 WeakPolarHBondContact OD2-CB 3.43Å; D201-S203 PolarHBondContact OD2-N 2.88Å; D201-S203 PolarHBondContact OD2-OG 2.99Å; S203-F205 WeakPolarHBondContact OG-CD2 3.11Å
204	G	97.2	Very high	94.6	Very high	17 Å²	17	54.8 Å²	54.8	18%	0.175	27%	0.272	C	S	.	.	S	Bend	trans	95.9	-6	180	0	0	0	0	0	114.5	R200 D201 L202	R200-G204 WeakPolarHBondContact CD-O 3.42Å; R200-G204 PolarHBondContact NH1-O 2.87Å; D201-G204 WeakPolarHBondContact O-CA 3.31Å; D201-G204 PolarHBondContact O-N 3.48Å; L202-G204 PolarHBondContact O-N 2.81Å
205	F	97.8	Very high	94.3	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-83.6	142.2	178.9	-67.1	-89.4	0	0	0	112	R200 D201 S203 D207 K252 E253 I256 R258 I260	R200-F205 CarbonylContact C-O 3.56Å; R200-F205 VanDerWaalsContact CA-O 3.27Å; R200-F205 WeakPolarHBondContact CA-O 3.28Å; D201-F205 PolarHBondContact N-O 3.2Å; S203-F205 WeakPolarHBondContact OG-CD2 3.11Å; F205-D207 PolarHBondContact O-N 3.48Å; F205-K252 HydrophobicContact CE2-CB 4.03Å; F205-K252 HydrophobicContact CZ-CB 3.92Å; F205-E253 HydrophobicContact CE1-CG 4.17Å; F205-E253 HydrophobicContact CZ-CG 4.3Å; F205-I256 HydrophobicContact CD1-CB 4.04Å; F205-I256 HydrophobicContact CD1-CG1 4.04Å; F205-I256 HydrophobicContact CD1-CG2 3.85Å; F205-I256 HydrophobicContact CD2-CG1 3.7Å; F205-I256 HydrophobicContact CE1-CB 3.82Å; F205-I256 HydrophobicContact CE1-CG1 3.87Å; F205-I256 HydrophobicContact CE1-CG2 4.12Å; F205-I256 HydrophobicContact CE2-CB 4.39Å; F205-I256 HydrophobicContact CE2-CG1 3.52Å; F205-I256 HydrophobicContact CG-CB 4.41Å; F205-I256 HydrophobicContact CG-CG1 3.95Å; F205-I256 HydrophobicContact CG-CG2 4.18Å; F205-I256 HydrophobicContact CZ-CB 4.01Å; F205-I256 HydrophobicContact CZ-CG1 3.6Å; F205-R258 WeakPolarHBondContact CE1-O 3.45Å; F205-I260 HydrophobicContact CD1-CG1 4.02Å; F205-I260 HydrophobicContact CD2-CG1 4.43Å; F205-I260 HydrophobicContact CE1-CB 4.33Å; F205-I260 HydrophobicContact CE1-CD1 4.43Å; F205-I260 HydrophobicContact CE1-CG1 3.36Å; F205-I260 HydrophobicContact CE2-CD1 4.28Å; F205-I260 HydrophobicContact CE2-CG1 3.85Å; F205-I260 HydrophobicContact CZ-CD1 3.89Å; F205-I260 HydrophobicContact CZ-CG1 3.27Å
206	I	96.4	Very high	94.1	Very high	46 Å²	46	54.8 Å²	54.8	24%	0.236	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-66.9	128.2	173	-55.5	-175.9	0	0	0	109.1	R200 T209	R200-I206 HydrophobicContact CG-CG1 4.09Å; I206-T209 HydrophobicContact CB-CG2 4.17Å; I206-T209 HydrophobicContact CG2-CG2 3.97Å
207	D	90.4	Very high	94	Very high	34 Å²	34	54.6 Å²	54.6	18%	0.182	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-95.7	157.6	178.6	-161	6.4	0	0	0	112.6	G199 F205 T209 R294 S296	G199-D207 PolarHBondContact O-N 3.1Å; F205-D207 PolarHBondContact O-N 3.48Å; D207-T209 VanDerWaalsContact C-N 3.25Å; D207-T209 PolarHBondContact O-N 2.74Å; D207-R294 WeakPolarHBondContact OD1-CD 3.23Å; D207-R294 IonicContact OD1-CZ 3.8Å; D207-R294 IonicContact OD1-NE 2.89Å; D207-R294 PolarHBondContact OD1-NE 2.93Å; D207-R294 IonicContact OD1-NH1 2.7Å; D207-R294 PolarHBondContact OD1-NH1 3.05Å; D207-R294 IonicContact OD1-NH2 3.93Å; D207-R294 PolarHBondContact OD1-NH2 3.42Å; D207-R294 IonicContact OD2-CZ 3.58Å; D207-R294 IonicContact OD2-NE 2.79Å; D207-R294 PolarHBondContact OD2-NE 2.96Å; D207-R294 IonicContact OD2-NH2 3.93Å; D207-R294 PolarHBondContact OD2-NH2 2.88Å; D207-S296 WeakPolarHBondContact OD2-CB 3.29Å
208	G	89.4	Confident	94.1	Very high	15 Å²	15	46.7 Å²	46.7	16%	0.155	25%	0.25	C	C	.	.			trans	70.5	19.6	174	0	0	0	0	0	113.9	M210 N211	G208-M210 PolarHBondContact O-N 3.01Å; G208-M210 VanDerWaalsContact O-N 3.15Å; G208-N211 VanDerWaalsContact O-CB 3.28Å; G208-N211 WeakPolarHBondContact O-CB 3.4Å; G208-N211 PolarHBondContact O-N 2.76Å
209	T	88.4	Confident	94.3	Very high	40 Å²	40	42.8 Å²	42.8	25%	0.245	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35	-177.2	52.9	0	0	0	0	113.3	I206 D207 S263	I206-T209 HydrophobicContact CB-CG2 4.17Å; I206-T209 HydrophobicContact CG2-CG2 3.97Å; D207-T209 VanDerWaalsContact C-N 3.25Å; D207-T209 PolarHBondContact O-N 2.74Å; T209-S263 VanDerWaalsContact CG2-OG 3.23Å; T209-S263 WeakPolarHBondContact CG2-OG 3.4Å
210	M	89.2	Confident	94.3	Very high	97 Å²	97	46.2 Å²	46.2	48%	0.478	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.2	179.7	-64.6	-58.8	-65.3	0	0	114.2	G208	G208-M210 PolarHBondContact O-N 3.01Å; G208-M210 VanDerWaalsContact O-N 3.15Å
211	N	93.9	Very high	94.3	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.112	24%	0.236	C	C	.	.	S	Bend	trans	-61.5	139.8	174.7	-81.7	-19.3	0	0	0	111	G208 K213 R294	G208-N211 VanDerWaalsContact O-CB 3.28Å; G208-N211 WeakPolarHBondContact O-CB 3.4Å; G208-N211 PolarHBondContact O-N 2.76Å; N211-K213 PolarHBondContact O-N 2.96Å; N211-R294 PolarHBondContact ND2-O 3.18Å; N211-R294 WeakPolarHBondContact OD1-CB 3.17Å; N211-R294 PolarHBondContact OD1-N 3.44Å; N211-R294 PolarHBondContact OD1-O 2.68Å
212	P	94.3	Very high	94.3	Very high	15 Å²	15	44.7 Å²	44.7	10%	0.097	23%	0.233	C	C	.	.			trans	-58.8	139.1	169.5	-14.9	27.1	0	0	0	110.9	D217 R218 V221 V293	P212-D217 HydrophobicContact CB-CB 3.49Å; P212-D217 VanDerWaalsContact CB-CB 3.49Å; P212-R218 HydrophobicContact CB-CG 3.8Å; P212-R218 HydrophobicContact CG-CG 4.23Å; P212-R218 WeakPolarHBondContact O-CG 3.25Å; P212-R218 PolarHBondContact O-NE 3.38Å; P212-V221 HydrophobicContact CG-CB 4.27Å; P212-V221 HydrophobicContact CG-CG2 3.83Å; P212-V293 HydrophobicContact CG-CG2 4.36Å
213	K	91.1	Very high	94.3	Very high	138 Å²	138	44.4 Å²	44.4	60%	0.6	23%	0.231	S	C	*	.	S	Bend	trans	-88.7	-31.7	-171.8	-59.3	-57.2	179.4	-169.3	0	112.8	N211	N211-K213 PolarHBondContact O-N 2.96Å
214	H	93.5	Very high	94.3	Very high	129 Å²	129	44.5 Å²	44.5	60%	0.597	23%	0.231	S	C	*	.	S	Bend	trans	-99.2	149.6	179	-56.1	-61.2	0	0	0	110.8	D216 D217 R218	H214-D216 VanDerWaalsContact C-N 3.28Å; H214-D216 PolarHBondContact O-N 3.45Å; H214-D217 IonicContact CD2-OD2 3.61Å; H214-D217 IonicContact CG-OD2 2.81Å; H214-D217 PolarHBondContact O-N 2.9Å; H214-R218 WeakPolarHBondContact O-CG 3.2Å; H214-R218 PolarHBondContact O-N 3.36Å
215	L	92.7	Very high	94.2	Very high	59 Å²	59	51.4 Å²	51.4	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-37	-178.3	-72	169	0	0	0	112	F49 I64 R218 A219	F49-L215 HydrophobicContact CE1-CD1 3.49Å; F49-L215 VanDerWaalsContact CE1-CD1 3.49Å; F49-L215 HydrophobicContact CZ-CD1 3.65Å; I64-L215 WeakPolarHBondContact O-CD2 3.33Å; L215-R218 WeakPolarHBondContact O-CB 3.31Å; L215-R218 PolarHBondContact O-N 3.2Å; L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 3.07Å
216	D	93.3	Very high	94	Very high	71 Å²	71	54.6 Å²	54.6	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.5	-62.3	-21.1	0	0	0	111.8	H214 R218 A219 E220	H214-D216 VanDerWaalsContact C-N 3.28Å; H214-D216 PolarHBondContact O-N 3.45Å; D216-R218 VanDerWaalsContact C-N 3.3Å; D216-R218 PolarHBondContact O-N 3.31Å; D216-A219 WeakPolarHBondContact O-CB 3.46Å; D216-A219 PolarHBondContact O-N 3.49Å; D216-E220 PolarHBondContact O-N 3.09Å
217	D	94.8	Very high	93.9	Very high	63 Å²	63	53 Å²	53	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-34.8	176.5	-58.2	-36.3	0	0	0	111.4	P212 H214 V221	P212-D217 HydrophobicContact CB-CB 3.49Å; P212-D217 VanDerWaalsContact CB-CB 3.49Å; H214-D217 IonicContact CD2-OD2 3.61Å; H214-D217 IonicContact CG-OD2 2.81Å; H214-D217 PolarHBondContact O-N 2.9Å; D217-V221 VanDerWaalsContact O-CG2 3.32Å; D217-V221 WeakPolarHBondContact O-CG2 3.48Å; D217-V221 PolarHBondContact O-N 3.25Å
218	R	97.1	Very high	94.2	Very high	18 Å²	18	51.5 Å²	51.5	7%	0.068	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-41.8	174.4	-71.1	-178.8	161.8	-132.2	1.7	111.2	I64 S65 P212 H214 L215 D216 V221 A222 V293	I64-R218 HydrophobicContact CB-CB 4.23Å; I64-R218 HydrophobicContact CG2-CB 4.4Å; I64-R218 WeakPolarHBondContact O-CD 3.36Å; I64-R218 PolarHBondContact O-NH1 3.38Å; I64-R218 VanDerWaalsContact O-NH1 3.1Å; S65-R218 PolarHBondContact O-NH1 2.98Å; P212-R218 HydrophobicContact CB-CG 3.8Å; P212-R218 HydrophobicContact CG-CG 4.23Å; P212-R218 WeakPolarHBondContact O-CG 3.25Å; P212-R218 PolarHBondContact O-NE 3.38Å; H214-R218 WeakPolarHBondContact O-CG 3.2Å; H214-R218 PolarHBondContact O-N 3.36Å; L215-R218 WeakPolarHBondContact O-CB 3.31Å; L215-R218 PolarHBondContact O-N 3.2Å; D216-R218 VanDerWaalsContact C-N 3.3Å; D216-R218 PolarHBondContact O-N 3.31Å; R218-V221 PolarHBondContact O-N 3.18Å; R218-A222 VanDerWaalsContact O-CB 3.26Å; R218-A222 WeakPolarHBondContact O-CB 3.13Å; R218-A222 PolarHBondContact O-N 2.87Å; R218-V293 HydrophobicContact CB-CG2 4.07Å; R218-V293 HydrophobicContact CG-CG1 4.47Å; R218-V293 HydrophobicContact CG-CG2 4.21Å
219	A	96	Very high	94.6	Very high	14 Å²	14	50.9 Å²	50.9	12%	0.116	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-45.7	175.1	0	0	0	0	0	111.1	I64 L215 D216 V221 A222 I223	I64-A219 HydrophobicContact CG2-CB 4.48Å; L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 3.07Å; D216-A219 WeakPolarHBondContact O-CB 3.46Å; D216-A219 PolarHBondContact O-N 3.49Å; A219-V221 PolarHBondContact O-N 3.01Å; A219-A222 PolarHBondContact O-N 3.39Å; A219-I223 HydrophobicContact CB-CD1 3.69Å; A219-I223 HydrophobicContact CB-CG1 4.43Å; A219-I223 VanDerWaalsContact O-CB 3.3Å; A219-I223 WeakPolarHBondContact O-CB 3.24Å; A219-I223 WeakPolarHBondContact O-CG1 3.33Å; A219-I223 PolarHBondContact O-N 3.34Å
220	E	95.5	Very high	95.1	Very high	104 Å²	104	49 Å²	49	49%	0.486	24%	0.241	S	C	.	.	H	α-helix	trans	-57.6	-35.7	176.8	-162.3	-153.2	165.1	0	0	112.7	D216 R291	D216-E220 PolarHBondContact O-N 3.09Å; E220-R291 IonicContact OE1-NH2 3.84Å; E220-R291 PolarHBondContact OE1-NH2 2.72Å; E220-R291 IonicContact OE2-CZ 3.95Å; E220-R291 IonicContact OE2-NH1 3.13Å; E220-R291 IonicContact OE2-NH2 3.59Å; E220-R291 PolarHBondContact OE2-NH2 3.33Å
221	V	96.9	Very high	95.5	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-83.2	-42.3	-178.5	172.1	0	0	0	0	112.7	P212 D217 R218 A219 R291 V293 A314 A315	P212-V221 HydrophobicContact CG-CB 4.27Å; P212-V221 HydrophobicContact CG-CG2 3.83Å; D217-V221 VanDerWaalsContact O-CG2 3.32Å; D217-V221 WeakPolarHBondContact O-CG2 3.48Å; D217-V221 PolarHBondContact O-N 3.25Å; R218-V221 PolarHBondContact O-N 3.18Å; A219-V221 PolarHBondContact O-N 3.01Å; V221-R291 HydrophobicContact CB-CB 4.36Å; V221-R291 VanDerWaalsContact CG1-C 3.46Å; V221-R291 HydrophobicContact CG1-CB 3.66Å; V221-R291 HydrophobicContact CG2-CB 3.7Å; V221-R291 HydrophobicContact CG2-CG 4.44Å; V221-R291 VanDerWaalsContact CG2-CZ 3.48Å; V221-V293 HydrophobicContact CB-CG2 4.08Å; V221-V293 HydrophobicContact CG1-CG2 3.92Å; V221-A314 CarbonylContact O-C 3.52Å; V221-A314 WeakPolarHBondContact O-CA 3.4Å; V221-A315 PolarHBondContact O-N 2.99Å
222	A	97.9	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-90.9	-28.6	-169.5	0	0	0	0	0	113.8	V63 I64 R218 A219 S230 V293 A314 A315	V63-A222 HydrophobicContact CG1-CB 3.99Å; I64-A222 HydrophobicContact CG2-CB 4.05Å; R218-A222 VanDerWaalsContact O-CB 3.26Å; R218-A222 WeakPolarHBondContact O-CB 3.13Å; R218-A222 PolarHBondContact O-N 2.87Å; A219-A222 PolarHBondContact O-N 3.39Å; A222-S230 WeakPolarHBondContact O-CB 3.41Å; A222-S230 PolarHBondContact O-OG 2.78Å; A222-V293 HydrophobicContact CB-CB 4.4Å; A222-V293 HydrophobicContact CB-CG2 3.92Å; A222-A314 CarbonylContact O-C 3.39Å; A222-A315 PolarHBondContact O-N 3.11Å
223	I	97.8	Very high	96	Very high	22 Å²	22	42.9 Å²	42.9	11%	0.113	21%	0.209	C	C	.	.	S	Bend	trans	-98.1	127.9	-169	-55.1	175.5	0	0	0	110.7	Y53 P59 I64 A219 K225 G228 G229 A315	Y53-I223 HydrophobicContact CE1-CD1 4.46Å; P59-I223 HydrophobicContact CB-CD1 3.78Å; P59-I223 HydrophobicContact CB-CG1 4.17Å; P59-I223 HydrophobicContact CG-CD1 3.61Å; P59-I223 HydrophobicContact CG-CG1 4.5Å; I64-I223 HydrophobicContact CG2-CD1 4.23Å; I64-I223 HydrophobicContact CG2-CG1 4.22Å; A219-I223 HydrophobicContact CB-CD1 3.69Å; A219-I223 HydrophobicContact CB-CG1 4.43Å; A219-I223 VanDerWaalsContact O-CB 3.3Å; A219-I223 WeakPolarHBondContact O-CB 3.24Å; A219-I223 WeakPolarHBondContact O-CG1 3.33Å; A219-I223 PolarHBondContact O-N 3.34Å; I223-K225 PolarHBondContact O-N 2.9Å; I223-G228 WeakPolarHBondContact CG2-O 3.47Å; I223-G229 WeakPolarHBondContact CA-O 3.44Å; I223-A315 VanDerWaalsContact O-CB 3.24Å; I223-A315 WeakPolarHBondContact O-CB 3.23Å
224	N	97	Very high	96.3	Very high	14 Å²	14	36.7 Å²	36.7	8%	0.075	18%	0.183	C	C	.	.			trans	-71	125.1	171	-175.2	-74.3	0	0	0	110.2	D226 T227 G228 G229 Y231 A315	N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact O-N 3.25Å; N224-D226 WeakPolarHBondContact OD1-CA 3.34Å; N224-D226 WeakPolarHBondContact OD1-CB 3.38Å; N224-D226 PolarHBondContact OD1-N 3.01Å; N224-T227 PolarHBondContact O-N 2.86Å; N224-T227 PolarHBondContact OD1-N 3.24Å; N224-T227 VanDerWaalsContact OD1-N 3.13Å; N224-G228 WeakPolarHBondContact O-CA 3.34Å; N224-G228 PolarHBondContact O-N 3.29Å; N224-G229 PolarHBondContact N-O 2.7Å; N224-Y231 HydrophobicContact CB-CE2 4.48Å; N224-A315 PolarHBondContact ND2-O 2.81Å
225	K	94.1	Very high	96.6	Very high	161 Å²	161	30.7 Å²	30.7	70%	0.7	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.9	-174.8	-68.8	-177.5	179.3	178.5	0	113.8	N56 I223	N56-K225 PolarHBondContact ND2-O 2.89Å; I223-K225 PolarHBondContact O-N 2.9Å
226	D	93.9	Very high	96.9	Very high	79 Å²	79	29.1 Å²	29.1	42%	0.422	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-36.3	-178.6	-75.6	-64.2	0	0	0	112.2	N56 K134 N224	N56-D226 PolarHBondContact ND2-O 3.3Å; K134-D226 HydrophobicContact CB-CB 3.99Å; K134-D226 HydrophobicContact CD-CB 3.62Å; K134-D226 VanDerWaalsContact CD-OD1 3.31Å; K134-D226 WeakPolarHBondContact CD-OD1 3.36Å; K134-D226 IonicContact NZ-OD1 2.87Å; K134-D226 PolarHBondContact NZ-OD1 2.95Å; N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact O-N 3.25Å; N224-D226 WeakPolarHBondContact OD1-CA 3.34Å; N224-D226 WeakPolarHBondContact OD1-CB 3.38Å; N224-D226 PolarHBondContact OD1-N 3.01Å
227	T	95.3	Very high	97.1	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.08	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-20.7	-171.2	78.4	0	0	0	0	113.7	I135 N224 G229 Y352	I135-T227 HydrophobicContact CG1-CG2 3.58Å; N224-T227 PolarHBondContact O-N 2.86Å; N224-T227 PolarHBondContact OD1-N 3.24Å; N224-T227 VanDerWaalsContact OD1-N 3.13Å; T227-G229 PolarHBondContact O-N 2.88Å; T227-G229 VanDerWaalsContact O-N 3.15Å; T227-G229 PolarHBondContact OG1-N 3.13Å; T227-Y352 WeakPolarHBondContact CB-OH 3.33Å; T227-Y352 PolarHBondContact OG1-OH 3.16Å
228	G	96.2	Very high	97.3	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	70.4	-5.1	-169.4	0	0	0	0	0	114.2	I223 N224 S355	I223-G228 WeakPolarHBondContact CG2-O 3.47Å; N224-G228 WeakPolarHBondContact O-CA 3.34Å; N224-G228 PolarHBondContact O-N 3.29Å; G228-S355 WeakPolarHBondContact O-CB 3.15Å
229	G	97.7	Very high	97.4	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.121	C	C	.	.			trans	-87.1	-173.2	175	0	0	0	0	0	112.9	I223 N224 T227 F353	I223-G229 WeakPolarHBondContact CA-O 3.44Å; N224-G229 PolarHBondContact N-O 2.7Å; T227-G229 PolarHBondContact O-N 2.88Å; T227-G229 VanDerWaalsContact O-N 3.15Å; T227-G229 PolarHBondContact OG1-N 3.13Å; G229-F353 CarbonylContact C-O 3.55Å; G229-F353 WeakPolarHBondContact CA-O 3.34Å
230	S	98.5	Very high	97.5	Very high	1 Å²	1	27 Å²	27	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.4	-178.8	-171.6	0	0	0	0	111.2	A222 F353	A222-S230 WeakPolarHBondContact O-CB 3.41Å; A222-S230 PolarHBondContact O-OG 2.78Å; S230-F353 PolarHBondContact N-O 3.47Å; S230-F353 PolarHBondContact O-N 2.76Å
231	Y	98.8	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.6	168.9	-59.3	-88.7	0	0	0	109.2	E136 F138 N224 Y313 A314 A315 I317 F320 W351 Y352	E136-Y231 PolarHBondContact N-OH 2.98Å; F138-Y231 HydrophobicContact CB-CD1 3.87Å; F138-Y231 HydrophobicContact CB-CE1 3.87Å; F138-Y231 HydrophobicContact CD1-CD1 4.36Å; F138-Y231 AromaticContact CD1-CE1 3.9Å; F138-Y231 HydrophobicContact CD1-CE1 3.9Å; F138-Y231 HydrophobicContact CG-CD1 4.16Å; F138-Y231 HydrophobicContact CG-CE1 4.1Å; N224-Y231 HydrophobicContact CB-CE2 4.48Å; Y231-Y313 CarbonylContact O-C 3.52Å; Y231-Y313 WeakPolarHBondContact O-CA 2.84Å; Y231-A314 PolarHBondContact N-O 2.94Å; Y231-A314 PolarHBondContact O-N 3.4Å; Y231-A315 WeakPolarHBondContact CD2-O 3.18Å; Y231-A315 WeakPolarHBondContact CE2-O 3.31Å; Y231-I317 HydrophobicContact CD1-CG2 3.52Å; Y231-I317 HydrophobicContact CE1-CG2 4.1Å; Y231-I317 HydrophobicContact CG-CG2 3.78Å; Y231-F320 WeakPolarHBondContact O-CE2 3.4Å; Y231-W351 CarbonylContact C-O 3.6Å; Y231-W351 WeakPolarHBondContact CA-O 3.35Å; Y231-Y352 HydrophobicContact CD1-CD2 4.04Å; Y231-Y352 AromaticContact CE1-CD2 3.87Å; Y231-Y352 HydrophobicContact CE1-CD2 3.87Å; Y231-Y352 HydrophobicContact CE1-CE2 4.49Å
232	G	98.8	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.2	175.1	0	0	0	0	0	111.6	A312 Y350 W351	G232-A312 CarbonylContact C-O 3.52Å; G232-A312 VanDerWaalsContact CA-O 3.28Å; G232-A312 WeakPolarHBondContact CA-O 3.49Å; G232-Y350 CarbonylContact O-C 3.57Å; G232-Y350 WeakPolarHBondContact O-CA 3.32Å; G232-W351 PolarHBondContact N-O 3.31Å; G232-W351 PolarHBondContact O-N 2.7Å
233	L	98.9	Very high	97.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.3	163.3	168.2	60.6	0	0	0	108.1	Y140 Q235 F310 I311 A312 F320 L324 Y350	Y140-L233 HydrophobicContact CD2-CD1 4.28Å; Y140-L233 HydrophobicContact CE2-CD1 3.76Å; L233-Q235 HydrophobicContact CD1-CG 3.82Å; L233-Q235 HydrophobicContact CG-CG 4.36Å; L233-F310 HydrophobicContact CB-CE1 4.33Å; L233-F310 HydrophobicContact CD2-CD1 4.22Å; L233-F310 HydrophobicContact CD2-CE1 3.66Å; L233-F310 HydrophobicContact CG-CD1 4.14Å; L233-F310 HydrophobicContact CG-CE1 3.88Å; L233-I311 VanDerWaalsContact O-CA 3.28Å; L233-I311 WeakPolarHBondContact O-CA 3.42Å; L233-A312 PolarHBondContact N-O 2.82Å; L233-A312 PolarHBondContact O-N 3Å; L233-F320 HydrophobicContact CB-CD1 3.75Å; L233-F320 HydrophobicContact CB-CD2 3.95Å; L233-F320 HydrophobicContact CB-CE1 3.84Å; L233-F320 HydrophobicContact CB-CE2 4.02Å; L233-F320 HydrophobicContact CB-CG 3.81Å; L233-F320 HydrophobicContact CB-CZ 3.97Å; L233-F320 HydrophobicContact CD2-CB 4.12Å; L233-F320 HydrophobicContact CD2-CD1 3.9Å; L233-F320 HydrophobicContact CD2-CG 4.11Å; L233-F320 HydrophobicContact CG-CD1 4.5Å; L233-L324 HydrophobicContact CD1-CD1 4.29Å; L233-L324 HydrophobicContact CD2-CD1 4.03Å; L233-L324 HydrophobicContact CD2-CD2 3.94Å; L233-L324 HydrophobicContact CD2-CG 4.23Å; L233-Y350 HydrophobicContact CB-CD1 4.1Å; L233-Y350 HydrophobicContact CB-CE1 4.07Å; L233-Y350 HydrophobicContact CD1-CD1 3.95Å; L233-Y350 HydrophobicContact CD1-CE1 3.74Å; L233-Y350 HydrophobicContact CG-CE1 4.31Å
234	V	98.9	Very high	97.6	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	174.8	-176.2	0	0	0	0	109.6	F158 L309 F310 I311 G348 N349 W351	F158-V234 HydrophobicContact CD1-CG2 4.19Å; F158-V234 HydrophobicContact CE1-CG2 3.59Å; F158-V234 HydrophobicContact CE2-CG1 3.98Å; F158-V234 HydrophobicContact CE2-CG2 4.25Å; F158-V234 HydrophobicContact CZ-CB 4.35Å; F158-V234 HydrophobicContact CZ-CG1 3.84Å; F158-V234 HydrophobicContact CZ-CG2 3.63Å; V234-L309 HydrophobicContact CG1-CD2 4.31Å; V234-F310 CarbonylContact C-O 3.55Å; V234-F310 VanDerWaalsContact CA-O 3.29Å; V234-F310 WeakPolarHBondContact CA-O 3.42Å; V234-I311 HydrophobicContact CG2-CB 4.4Å; V234-I311 HydrophobicContact CG2-CD1 3.9Å; V234-I311 HydrophobicContact CG2-CG1 3.93Å; V234-G348 WeakPolarHBondContact O-CA 3.37Å; V234-N349 PolarHBondContact N-O 3.34Å; V234-N349 VanDerWaalsContact N-O 3.13Å; V234-N349 PolarHBondContact O-N 2.81Å; V234-N349 VanDerWaalsContact O-N 3.16Å; V234-W351 VanDerWaalsContact CG2-CD1 3.46Å; V234-W351 HydrophobicContact CG2-CG 4.46Å
235	Q	98.8	Very high	97.6	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.5	177.9	-68.8	177.3	-37.2	0	0	111	Y140 L233 W237 F310 T347	Y140-Q235 PolarHBondContact OH-NE2 2.85Å; L233-Q235 HydrophobicContact CD1-CG 3.82Å; L233-Q235 HydrophobicContact CG-CG 4.36Å; Q235-W237 VanDerWaalsContact CB-NE1 3.28Å; Q235-W237 VanDerWaalsContact OE1-NE1 3.13Å; Q235-F310 HydrophobicContact CB-CB 4.31Å; Q235-F310 PolarHBondContact N-O 3.33Å; Q235-F310 PolarHBondContact O-N 3.45Å; Q235-T347 VanDerWaalsContact CA-O 3.31Å; Q235-T347 WeakPolarHBondContact CA-O 3.37Å; Q235-T347 WeakPolarHBondContact CB-O 3.35Å
236	K	98.8	Very high	97.7	Very high	25 Å²	25	36.2 Å²	36.2	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.4	170.5	-175.4	-177.9	-177	-178.8	0	109.6	E189 I191 Y299 E305 L309 C345 V346 T347	E189-K236 IonicContact OE1-NZ 2.8Å; E189-K236 PolarHBondContact OE1-NZ 3.36Å; I191-K236 HydrophobicContact CD1-CD 3.71Å; I191-K236 HydrophobicContact CD1-CG 4.24Å; K236-Y299 HydrophobicContact CD-CE2 4.5Å; K236-Y299 VanDerWaalsContact CE-CZ 3.47Å; K236-Y299 WeakPolarHBondContact CE-OH 3.37Å; K236-Y299 HydrophobicContact CG-CE1 3.88Å; K236-Y299 HydrophobicContact CG-CE2 4.38Å; K236-Y299 WeakPolarHBondContact CG-OH 3.46Å; K236-E305 IonicContact NZ-OE2 3.44Å; K236-L309 HydrophobicContact CB-CD1 3.75Å; K236-L309 HydrophobicContact CG-CD1 4.06Å; K236-C345 CarbonylContact O-C 3.57Å; K236-C345 WeakPolarHBondContact O-CA 3.27Å; K236-V346 HydrophobicContact CB-CG2 3.91Å; K236-V346 HydrophobicContact CD-CG2 3.74Å; K236-V346 HydrophobicContact CG-CG2 3.75Å; K236-V346 WeakPolarHBondContact O-CG2 3.28Å; K236-V346 PolarHBondContact O-N 3.38Å; K236-T347 HydrophobicContact CB-CG2 4.06Å; K236-T347 WeakPolarHBondContact CB-OG1 3.11Å; K236-T347 HydrophobicContact CD-CG2 4.33Å; K236-T347 PolarHBondContact N-O 3.22Å; K236-T347 PolarHBondContact N-OG1 2.88Å
237	W	98.8	Very high	98	Very high	14 Å²	14	33.2 Å²	33.2	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.1	-179.1	-68.8	84.7	0	0	0	110.5	L150 Q235 G307 L308 M327 M340 S343 H344 C345	L150-W237 HydrophobicContact CD2-CH2 3.52Å; L150-W237 HydrophobicContact CD2-CZ2 3.7Å; Q235-W237 VanDerWaalsContact CB-NE1 3.28Å; Q235-W237 VanDerWaalsContact OE1-NE1 3.13Å; W237-G307 CarbonylContact O-C 3.55Å; W237-G307 VanDerWaalsContact O-CA 3.31Å; W237-G307 WeakPolarHBondContact O-CA 3.33Å; W237-L308 HydrophobicContact CB-CB 4.43Å; W237-L308 WeakPolarHBondContact CB-O 3.29Å; W237-L308 PolarHBondContact N-O 2.87Å; W237-L308 PolarHBondContact O-N 3.5Å; W237-M327 HydrophobicContact CH2-CE 3.63Å; W237-M327 HydrophobicContact CZ2-CE 3.84Å; W237-M340 HydrophobicContact CH2-CE 4.49Å; W237-M340 HydrophobicContact CH2-CG 4.09Å; W237-M340 HydrophobicContact CZ3-CG 4.03Å; W237-S343 WeakPolarHBondContact CB-OG 3.41Å; W237-S343 WeakPolarHBondContact CZ3-O 3.16Å; W237-H344 WeakPolarHBondContact CA-O 3.44Å; W237-C345 HydrophobicContact CD2-CB 3.86Å; W237-C345 HydrophobicContact CE3-CB 3.83Å; W237-C345 HydrophobicContact CH2-CB 3.74Å; W237-C345 HydrophobicContact CZ2-CB 3.75Å; W237-C345 HydrophobicContact CZ3-CB 3.78Å
238	I	98.6	Very high	98.1	Very high	30 Å²	30	36.1 Å²	36.1	15%	0.154	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.9	176.8	-57.2	171.6	0	0	0	108.6	E305 S343 H344 V346	I238-E305 HydrophobicContact CD1-CB 4.36Å; I238-E305 HydrophobicContact CD1-CG 3.91Å; I238-E305 WeakPolarHBondContact CD1-OE1 3.48Å; I238-E305 HydrophobicContact CG1-CB 4.36Å; I238-E305 HydrophobicContact CG1-CG 4.43Å; I238-E305 HydrophobicContact CG2-CB 4.37Å; I238-E305 HydrophobicContact CG2-CG 4.46Å; I238-S343 CarbonylContact O-C 3.49Å; I238-S343 WeakPolarHBondContact O-CA 3.37Å; I238-H344 PolarHBondContact N-O 3.26Å; I238-H344 PolarHBondContact O-N 2.96Å; I238-V346 HydrophobicContact CD1-CB 4.36Å; I238-V346 HydrophobicContact CD1-CG1 3.56Å; I238-V346 HydrophobicContact CD1-CG2 3.93Å; I238-V346 HydrophobicContact CG1-CG1 4.19Å; I238-V346 HydrophobicContact CG1-CG2 4.06Å
239	H	98.5	Very high	98.2	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.06	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.9	179.9	-60.3	-7.8	0	0	0	111.5	D201 M241 L244 A306 F342 S343	D201-H239 VanDerWaalsContact CG-NE2 3.25Å; D201-H239 IonicContact OD1-CD2 3.31Å; D201-H239 IonicContact OD1-CE1 3.12Å; D201-H239 IonicContact OD1-NE2 2.7Å; D201-H239 PolarHBondContact OD1-NE2 3.26Å; D201-H239 IonicContact OD2-CD2 2.82Å; D201-H239 IonicContact OD2-CE1 2.66Å; D201-H239 IonicContact OD2-NE2 3.2Å; D201-H239 PolarHBondContact OD2-NE2 3.3Å; H239-M241 HydrophobicContact CB-SD 3.92Å; H239-M241 PolarHBondContact O-N 2.79Å; H239-M241 VanDerWaalsContact O-N 3.1Å; H239-L244 HydrophobicContact CB-CD1 3.98Å; H239-A306 PolarHBondContact N-O 2.75Å; H239-F342 CarbonylContact C-O 3.58Å; H239-F342 VanDerWaalsContact CA-O 3.29Å; H239-F342 WeakPolarHBondContact CA-O 3.44Å; H239-S343 PolarHBondContact CE1-OG 2.79Å; H239-S343 PolarHBondContact ND1-OG 3.13Å
240	D	97.9	Very high	98.2	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.353	23%	0.229	S	C	.	.			trans	-75.6	92.5	164.8	-173.3	-21.9	0	0	0	109.1	D242 L243 L244 F342	D240-D242 PolarHBondContact O-N 2.68Å; D240-D242 PolarHBondContact OD1-N 2.86Å; D240-D242 VanDerWaalsContact OD1-N 3.09Å; D240-L243 HydrophobicContact CB-CB 3.87Å; D240-L243 PolarHBondContact O-N 3.17Å; D240-L243 PolarHBondContact OD1-N 3.21Å; D240-L244 WeakPolarHBondContact O-CB 3.42Å; D240-L244 WeakPolarHBondContact O-CG 3.2Å; D240-L244 PolarHBondContact O-N 3.07Å; D240-F342 PolarHBondContact N-O 3.12Å
241	M	97.3	Very high	98.2	Very high	57 Å²	57	46.3 Å²	46.3	28%	0.281	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-26.6	-177.9	-62.1	-55	-64	0	0	112.9	L202 H239 L244 R245	L202-M241 HydrophobicContact CB-CE 4.48Å; H239-M241 HydrophobicContact CB-SD 3.92Å; H239-M241 PolarHBondContact O-N 2.79Å; H239-M241 VanDerWaalsContact O-N 3.1Å; M241-L244 HydrophobicContact SD-CD1 4.02Å; M241-R245 VanDerWaalsContact O-CB 3.27Å; M241-R245 WeakPolarHBondContact O-CB 3.49Å; M241-R245 PolarHBondContact O-N 2.8Å
242	D	96.7	Very high	98.2	Very high	104 Å²	104	47.3 Å²	47.3	56%	0.556	25%	0.247	S	C	*	.	H	α-helix	trans	-80.9	-37.5	179.7	-73.2	-21.7	0	0	0	111.2	D240 R245 S246	D240-D242 PolarHBondContact O-N 2.68Å; D240-D242 PolarHBondContact OD1-N 2.86Å; D240-D242 VanDerWaalsContact OD1-N 3.09Å; D242-R245 PolarHBondContact O-N 3.45Å; D242-R245 IonicContact OD1-CZ 3.71Å; D242-R245 IonicContact OD1-NE 3.64Å; D242-R245 IonicContact OD1-NH2 2.95Å; D242-R245 PolarHBondContact OD1-NH2 3.43Å; D242-S246 WeakPolarHBondContact O-CB 3.27Å; D242-S246 PolarHBondContact O-N 3.46Å; D242-S246 PolarHBondContact O-OG 2.88Å
243	L	98	Very high	98.1	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-47.5	168.2	-178.6	61.1	0	0	0	110.9	D240 R245 S246 T247 W255 R341 F342	D240-L243 HydrophobicContact CB-CB 3.87Å; D240-L243 PolarHBondContact O-N 3.17Å; D240-L243 PolarHBondContact OD1-N 3.21Å; L243-R245 VanDerWaalsContact C-N 3.27Å; L243-R245 PolarHBondContact O-N 3.45Å; L243-S246 PolarHBondContact O-N 3.06Å; L243-S246 PolarHBondContact O-OG 2.97Å; L243-T247 WeakPolarHBondContact CD1-OG1 3.33Å; L243-T247 VanDerWaalsContact O-CB 3.23Å; L243-T247 WeakPolarHBondContact O-CB 3.4Å; L243-T247 PolarHBondContact O-N 3.15Å; L243-T247 PolarHBondContact O-OG1 3.25Å; L243-W255 HydrophobicContact CD1-CH2 4.39Å; L243-W255 HydrophobicContact CD2-CH2 4.37Å; L243-W255 HydrophobicContact CG-CH2 4.32Å; L243-R341 WeakPolarHBondContact CD2-O 3.41Å; L243-F342 HydrophobicContact CD2-CB 3.86Å; L243-F342 HydrophobicContact CG-CB 4.43Å
244	L	97.8	Very high	98.1	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-38.1	177.6	-79.2	170.4	0	0	0	113	H239 D240 M241 K252 F342	H239-L244 HydrophobicContact CB-CD1 3.98Å; D240-L244 WeakPolarHBondContact O-CB 3.42Å; D240-L244 WeakPolarHBondContact O-CG 3.2Å; D240-L244 PolarHBondContact O-N 3.07Å; M241-L244 HydrophobicContact SD-CD1 4.02Å; L244-K252 HydrophobicContact CD2-CD 4.04Å; L244-K252 PolarHBondContact O-NZ 2.87Å; L244-F342 HydrophobicContact CD1-CD2 3.87Å; L244-F342 HydrophobicContact CD1-CE2 4.33Å; L244-F342 HydrophobicContact CD2-CB 4.27Å; L244-F342 HydrophobicContact CD2-CD1 4.3Å; L244-F342 HydrophobicContact CD2-CD2 3.59Å; L244-F342 HydrophobicContact CD2-CE2 3.95Å; L244-F342 HydrophobicContact CD2-CG 3.79Å; L244-F342 HydrophobicContact CD2-CZ 4.41Å; L244-F342 HydrophobicContact CG-CB 4.23Å; L244-F342 HydrophobicContact CG-CD2 3.83Å; L244-F342 HydrophobicContact CG-CG 4.16Å
245	R	96.8	Very high	98.1	Very high	189 Å²	189	55.8 Å²	55.8	71%	0.713	28%	0.283	S	S	*	.	H	α-helix	trans	-74.4	-37.2	179.8	-166.8	-165.4	-35.8	-122.1	6.2	112.9	M241 D242 L243	M241-R245 VanDerWaalsContact O-CB 3.27Å; M241-R245 WeakPolarHBondContact O-CB 3.49Å; M241-R245 PolarHBondContact O-N 2.8Å; D242-R245 PolarHBondContact O-N 3.45Å; D242-R245 IonicContact OD1-CZ 3.71Å; D242-R245 IonicContact OD1-NE 3.64Å; D242-R245 IonicContact OD1-NH2 2.95Å; D242-R245 PolarHBondContact OD1-NH2 3.43Å; L243-R245 VanDerWaalsContact C-N 3.27Å; L243-R245 PolarHBondContact O-N 3.45Å
246	S	98	Very high	98	Very high	89 Å²	89	56.2 Å²	56.2	62%	0.622	29%	0.285	S	S	*	.	H	α-helix	trans	-85.5	-18.1	-177.5	58.7	0	0	0	0	113.5	D242 L243	D242-S246 WeakPolarHBondContact O-CB 3.27Å; D242-S246 PolarHBondContact O-N 3.46Å; D242-S246 PolarHBondContact O-OG 2.88Å; L243-S246 PolarHBondContact O-N 3.06Å; L243-S246 PolarHBondContact O-OG 2.97Å
247	T	98.5	Very high	98	Very high	16 Å²	16	55 Å²	55	10%	0.098	28%	0.28	C	S	.	.	S	Bend	trans	-82.8	126.9	179.4	-57.4	0	0	0	0	111.3	L243 V251 K252 W255	L243-T247 WeakPolarHBondContact CD1-OG1 3.33Å; L243-T247 VanDerWaalsContact O-CB 3.23Å; L243-T247 WeakPolarHBondContact O-CB 3.4Å; L243-T247 PolarHBondContact O-N 3.15Å; L243-T247 PolarHBondContact O-OG1 3.25Å; T247-V251 HydrophobicContact CG2-CB 3.69Å; T247-V251 HydrophobicContact CG2-CG1 3.62Å; T247-K252 HydrophobicContact CG2-CG 3.75Å; T247-K252 VanDerWaalsContact O-CE 3.31Å; T247-K252 WeakPolarHBondContact O-CE 3.3Å; T247-W255 HydrophobicContact CG2-CH2 3.55Å; T247-W255 HydrophobicContact CG2-CZ2 4.09Å; T247-W255 HydrophobicContact CG2-CZ3 3.86Å
248	P	98.2	Very high	97.9	Very high	75 Å²	75	56 Å²	56	49%	0.487	28%	0.283	S	S	.	.			trans	-55.3	147.2	172.5	-27.5	36.8	0	0	0	113.4	D250 V251 K252	P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 VanDerWaalsContact CB-OD1 3.26Å; P248-D250 WeakPolarHBondContact CB-OD1 3.42Å; P248-D250 PolarHBondContact O-N 2.7Å; P248-V251 HydrophobicContact CB-CG2 4.34Å; P248-V251 PolarHBondContact O-N 2.84Å; P248-V251 VanDerWaalsContact O-N 3.11Å; P248-K252 PolarHBondContact O-N 3.07Å
249	D	98.1	Very high	97.8	Very high	91 Å²	91	55.9 Å²	55.9	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-39.6	-177	-74.5	-8.8	0	0	0	112.5	V251 K252 E253 I260	D249-V251 PolarHBondContact O-N 2.78Å; D249-K252 PolarHBondContact O-N 3.31Å; D249-K252 VanDerWaalsContact O-N 3.16Å; D249-K252 WeakPolarHBondContact OD1-CE 3.31Å; D249-K252 IonicContact OD1-NZ 2.72Å; D249-K252 PolarHBondContact OD1-NZ 3.43Å; D249-E253 WeakPolarHBondContact O-CB 3.24Å; D249-E253 VanDerWaalsContact O-CG 3.26Å; D249-E253 WeakPolarHBondContact O-CG 3.44Å; D249-E253 PolarHBondContact O-N 3.21Å; D249-I260 HydrophobicContact CB-CD1 3.8Å
250	D	97.7	Very high	97.8	Very high	81 Å²	81	56.5 Å²	56.5	43%	0.433	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-29.1	178.9	75.8	-64.6	0	0	0	113.1	P248 K254	P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 VanDerWaalsContact CB-OD1 3.26Å; P248-D250 WeakPolarHBondContact CB-OD1 3.42Å; P248-D250 PolarHBondContact O-N 2.7Å; D250-K254 WeakPolarHBondContact O-CD 3.4Å; D250-K254 VanDerWaalsContact O-CG 3.26Å; D250-K254 WeakPolarHBondContact O-CG 3.49Å; D250-K254 PolarHBondContact O-N 2.84Å; D250-K254 IonicContact OD2-NZ 2.77Å; D250-K254 PolarHBondContact OD2-NZ 3.2Å
251	V	98.3	Very high	97.7	Very high	46 Å²	46	59.9 Å²	59.9	28%	0.279	30%	0.301	S	S	.	.	H	α-helix	trans	-76.1	-45.4	175.7	177.5	0	0	0	0	110.3	T247 P248 D249 E253 K254 W255	T247-V251 HydrophobicContact CG2-CB 3.69Å; T247-V251 HydrophobicContact CG2-CG1 3.62Å; P248-V251 HydrophobicContact CB-CG2 4.34Å; P248-V251 PolarHBondContact O-N 2.84Å; P248-V251 VanDerWaalsContact O-N 3.11Å; D249-V251 PolarHBondContact O-N 2.78Å; V251-E253 VanDerWaalsContact C-N 3.32Å; V251-E253 PolarHBondContact O-N 2.97Å; V251-K254 WeakPolarHBondContact O-CB 3.4Å; V251-K254 PolarHBondContact O-N 2.8Å; V251-W255 HydrophobicContact CG1-CD2 4.38Å; V251-W255 HydrophobicContact CG1-CH2 4.41Å; V251-W255 HydrophobicContact CG1-CZ2 3.69Å; V251-W255 PolarHBondContact O-N 3.12Å
252	K	98.4	Very high	97.6	Very high	22 Å²	22	62 Å²	62	10%	0.096	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-42.2	175.2	-69	-179.8	-65.9	-170.4	0	111.5	F205 L244 T247 P248 D249 K254 W255 I256 I260	F205-K252 HydrophobicContact CE2-CB 4.03Å; F205-K252 HydrophobicContact CZ-CB 3.92Å; L244-K252 HydrophobicContact CD2-CD 4.04Å; L244-K252 PolarHBondContact O-NZ 2.87Å; T247-K252 HydrophobicContact CG2-CG 3.75Å; T247-K252 VanDerWaalsContact O-CE 3.31Å; T247-K252 WeakPolarHBondContact O-CE 3.3Å; P248-K252 PolarHBondContact O-N 3.07Å; D249-K252 PolarHBondContact O-N 3.31Å; D249-K252 VanDerWaalsContact O-N 3.16Å; D249-K252 WeakPolarHBondContact OD1-CE 3.31Å; D249-K252 IonicContact OD1-NZ 2.72Å; D249-K252 PolarHBondContact OD1-NZ 3.43Å; K252-K254 VanDerWaalsContact C-N 3.27Å; K252-K254 PolarHBondContact O-N 3.19Å; K252-W255 HydrophobicContact CG-CE3 4.18Å; K252-W255 HydrophobicContact CG-CZ3 4.19Å; K252-W255 WeakPolarHBondContact O-CB 3.3Å; K252-W255 PolarHBondContact O-N 3.19Å; K252-W255 VanDerWaalsContact O-N 3.12Å; K252-I256 PolarHBondContact O-N 3.1Å; K252-I260 HydrophobicContact CB-CD1 4.4Å
253	E	98.3	Very high	97.5	Very high	43 Å²	43	57.5 Å²	57.5	20%	0.201	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-35.7	177.1	-72.2	-174.2	162.5	0	0	111.8	F205 D249 V251 I256 G257 R258 T259 I260 L266	F205-E253 HydrophobicContact CE1-CG 4.17Å; F205-E253 HydrophobicContact CZ-CG 4.3Å; D249-E253 WeakPolarHBondContact O-CB 3.24Å; D249-E253 VanDerWaalsContact O-CG 3.26Å; D249-E253 WeakPolarHBondContact O-CG 3.44Å; D249-E253 PolarHBondContact O-N 3.21Å; V251-E253 VanDerWaalsContact C-N 3.32Å; V251-E253 PolarHBondContact O-N 2.97Å; E253-I256 PolarHBondContact O-N 3.38Å; E253-G257 WeakPolarHBondContact O-CA 3.47Å; E253-G257 PolarHBondContact O-N 3.32Å; E253-R258 WeakPolarHBondContact CA-O 3.45Å; E253-R258 WeakPolarHBondContact CB-O 3.3Å; E253-R258 WeakPolarHBondContact CG-O 3.35Å; E253-R258 PolarHBondContact O-N 2.92Å; E253-T259 WeakPolarHBondContact OE1-CA 3.25Å; E253-T259 WeakPolarHBondContact OE1-CB 3.32Å; E253-I260 HydrophobicContact CG-CD1 4.25Å; E253-I260 HydrophobicContact CG-CG1 3.87Å; E253-I260 PolarHBondContact OE1-N 2.68Å; E253-L266 HydrophobicContact CB-CD1 4.33Å; E253-L266 VanDerWaalsContact O-CD1 3.32Å; E253-L266 WeakPolarHBondContact O-CD1 3.38Å
254	K	98.1	Very high	97.4	Very high	115 Å²	115	61.5 Å²	61.5	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-68.1	-38	172.4	-73.5	165.2	-172.1	159.4	0	112.7	D250 V251 K252 I256 S273	D250-K254 WeakPolarHBondContact O-CD 3.4Å; D250-K254 VanDerWaalsContact O-CG 3.26Å; D250-K254 WeakPolarHBondContact O-CG 3.49Å; D250-K254 PolarHBondContact O-N 2.84Å; D250-K254 IonicContact OD2-NZ 2.77Å; D250-K254 PolarHBondContact OD2-NZ 3.2Å; V251-K254 WeakPolarHBondContact O-CB 3.4Å; V251-K254 PolarHBondContact O-N 2.8Å; K252-K254 VanDerWaalsContact C-N 3.27Å; K252-K254 PolarHBondContact O-N 3.19Å; K254-I256 VanDerWaalsContact C-N 3.31Å; K254-I256 PolarHBondContact O-N 2.95Å; K254-S273 WeakPolarHBondContact O-CB 3.47Å
255	W	98.3	Very high	97.2	Very high	32 Å²	32	63.3 Å²	63.3	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-38.3	175.3	-63.8	-20	0	0	0	112	L243 T247 V251 K252 S273 H274 D338 F342	L243-W255 HydrophobicContact CD1-CH2 4.39Å; L243-W255 HydrophobicContact CD2-CH2 4.37Å; L243-W255 HydrophobicContact CG-CH2 4.32Å; T247-W255 HydrophobicContact CG2-CH2 3.55Å; T247-W255 HydrophobicContact CG2-CZ2 4.09Å; T247-W255 HydrophobicContact CG2-CZ3 3.86Å; V251-W255 HydrophobicContact CG1-CD2 4.38Å; V251-W255 HydrophobicContact CG1-CH2 4.41Å; V251-W255 HydrophobicContact CG1-CZ2 3.69Å; V251-W255 PolarHBondContact O-N 3.12Å; K252-W255 HydrophobicContact CG-CE3 4.18Å; K252-W255 HydrophobicContact CG-CZ3 4.19Å; K252-W255 WeakPolarHBondContact O-CB 3.3Å; K252-W255 PolarHBondContact O-N 3.19Å; K252-W255 VanDerWaalsContact O-N 3.12Å; W255-S273 CarbonylContact O-C 3.57Å; W255-S273 VanDerWaalsContact O-CA 3.23Å; W255-S273 WeakPolarHBondContact O-CA 3.45Å; W255-H274 PolarHBondContact O-N 3.41Å; W255-D338 HydrophobicContact CB-CB 3.7Å; W255-D338 HydrophobicContact CG-CB 3.82Å; W255-F342 AromaticContact CE3-CD1 3.69Å; W255-F342 HydrophobicContact CE3-CD1 3.69Å; W255-F342 HydrophobicContact CE3-CE1 4.23Å; W255-F342 HydrophobicContact CZ3-CB 4.39Å; W255-F342 AromaticContact CZ3-CD1 3.99Å; W255-F342 HydrophobicContact CZ3-CD1 3.99Å
256	I	98	Very high	97.2	Very high	13 Å²	13	56 Å²	56	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-86.4	-40.9	-179.3	-60.4	-52.6	0	0	0	112.2	F205 K252 E253 K254 R258 H274 I275 V339 F342	F205-I256 HydrophobicContact CD1-CB 4.04Å; F205-I256 HydrophobicContact CD1-CG1 4.04Å; F205-I256 HydrophobicContact CD1-CG2 3.85Å; F205-I256 HydrophobicContact CD2-CG1 3.7Å; F205-I256 HydrophobicContact CE1-CB 3.82Å; F205-I256 HydrophobicContact CE1-CG1 3.87Å; F205-I256 HydrophobicContact CE1-CG2 4.12Å; F205-I256 HydrophobicContact CE2-CB 4.39Å; F205-I256 HydrophobicContact CE2-CG1 3.52Å; F205-I256 HydrophobicContact CG-CB 4.41Å; F205-I256 HydrophobicContact CG-CG1 3.95Å; F205-I256 HydrophobicContact CG-CG2 4.18Å; F205-I256 HydrophobicContact CZ-CB 4.01Å; F205-I256 HydrophobicContact CZ-CG1 3.6Å; K252-I256 PolarHBondContact O-N 3.1Å; E253-I256 PolarHBondContact O-N 3.38Å; K254-I256 VanDerWaalsContact C-N 3.31Å; K254-I256 PolarHBondContact O-N 2.95Å; I256-R258 HydrophobicContact CG2-CB 4.42Å; I256-R258 HydrophobicContact CG2-CG 4.42Å; I256-H274 HydrophobicContact CD1-CB 4.21Å; I256-H274 PolarHBondContact O-N 3.07Å; I256-I275 WeakPolarHBondContact O-CB 3.19Å; I256-I275 VanDerWaalsContact O-CG1 3.27Å; I256-I275 WeakPolarHBondContact O-CG1 3.46Å; I256-I275 PolarHBondContact O-N 2.89Å; I256-V339 HydrophobicContact CD1-CB 4.36Å; I256-V339 HydrophobicContact CD1-CG2 3.91Å; I256-F342 HydrophobicContact CD1-CE1 4.01Å; I256-F342 HydrophobicContact CD1-CZ 4.03Å
257	G	97	Very high	96.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	16.3	-171.9	0	0	0	0	0	114.1	E253 L266	E253-G257 WeakPolarHBondContact O-CA 3.47Å; E253-G257 PolarHBondContact O-N 3.32Å; G257-L266 PolarHBondContact O-N 3.18Å
258	R	97.3	Very high	96.5	Very high	33 Å²	33	69.3 Å²	69.3	13%	0.125	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-140.3	161.4	175.9	-51.9	-171.3	77.2	86.8	-3.4	111	F205 E253 I256 S263 F264 I275	F205-R258 WeakPolarHBondContact CE1-O 3.45Å; E253-R258 WeakPolarHBondContact CA-O 3.45Å; E253-R258 WeakPolarHBondContact CB-O 3.3Å; E253-R258 WeakPolarHBondContact CG-O 3.35Å; E253-R258 PolarHBondContact O-N 2.92Å; I256-R258 HydrophobicContact CG2-CB 4.42Å; I256-R258 HydrophobicContact CG2-CG 4.42Å; R258-S263 PolarHBondContact NE-O 3.44Å; R258-S263 PolarHBondContact NE-OG 3.3Å; R258-S263 PolarHBondContact NH2-O 2.8Å; R258-F264 CarbonylContact C-O 3.45Å; R258-F264 WeakPolarHBondContact CA-O 3.43Å; R258-F264 WeakPolarHBondContact CB-O 3.47Å; R258-I275 HydrophobicContact CG-CD1 4.29Å; R258-I275 HydrophobicContact CG-CG1 3.71Å
259	T	97.5	Very high	96.4	Very high	29 Å²	29	66.3 Å²	66.3	18%	0.178	31%	0.311	C	S	.	.			trans	-74.7	146.7	171	65	0	0	0	0	111.9	E253 S263 F264 L266	E253-T259 WeakPolarHBondContact OE1-CA 3.25Å; E253-T259 WeakPolarHBondContact OE1-CB 3.32Å; T259-S263 WeakPolarHBondContact O-CA 3.25Å; T259-S263 PolarHBondContact O-N 2.89Å; T259-S263 PolarHBondContact OG1-N 3.39Å; T259-F264 HydrophobicContact CG2-CB 4.23Å; T259-F264 PolarHBondContact N-O 3.2Å; T259-F264 PolarHBondContact OG1-N 2.66Å; T259-L266 HydrophobicContact CG2-CD2 3.86Å
260	I	97.3	Very high	96.3	Very high	26 Å²	26	64.5 Å²	64.5	13%	0.133	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-56.8	179.7	-69.8	169.3	0	0	0	109.5	R200 F205 D249 K252 E253 H262	R200-I260 PolarHBondContact NH1-O 3.45Å; F205-I260 HydrophobicContact CD1-CG1 4.02Å; F205-I260 HydrophobicContact CD2-CG1 4.43Å; F205-I260 HydrophobicContact CE1-CB 4.33Å; F205-I260 HydrophobicContact CE1-CD1 4.43Å; F205-I260 HydrophobicContact CE1-CG1 3.36Å; F205-I260 HydrophobicContact CE2-CD1 4.28Å; F205-I260 HydrophobicContact CE2-CG1 3.85Å; F205-I260 HydrophobicContact CZ-CD1 3.89Å; F205-I260 HydrophobicContact CZ-CG1 3.27Å; D249-I260 HydrophobicContact CB-CD1 3.8Å; K252-I260 HydrophobicContact CB-CD1 4.4Å; E253-I260 HydrophobicContact CG-CD1 4.25Å; E253-I260 HydrophobicContact CG-CG1 3.87Å; E253-I260 PolarHBondContact OE1-N 2.68Å; I260-H262 PolarHBondContact O-N 3.34Å
261	E	95.4	Very high	96.2	Very high	136 Å²	136	64.2 Å²	64.2	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-48.6	-167.8	-167.2	179	171.9	0	0	113	R200	R200-E261 PolarHBondContact NH2-O 3.39Å
262	H	95.1	Very high	96.2	Very high	103 Å²	103	62.9 Å²	62.9	48%	0.477	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-0.1	-171.4	-58.5	-43.9	0	0	0	114	I260 F264	I260-H262 PolarHBondContact O-N 3.34Å; H262-F264 HydrophobicContact CB-CD1 4.29Å; H262-F264 HydrophobicContact CB-CD2 3.73Å; H262-F264 HydrophobicContact CB-CE1 4.07Å; H262-F264 HydrophobicContact CB-CE2 3.48Å; H262-F264 VanDerWaalsContact CB-CE2 3.48Å; H262-F264 HydrophobicContact CB-CG 4.13Å; H262-F264 HydrophobicContact CB-CZ 3.66Å; H262-F264 AromaticContact CD2-CE2 3.73Å; H262-F264 AromaticContact CG-CE2 3.89Å; H262-F264 PolarHBondContact O-N 3.02Å
263	S	95.7	Very high	96.2	Very high	8 Å²	8	61.8 Å²	61.8	6%	0.056	29%	0.29	C	S	.	.			trans	53.5	38.1	-177	-162.2	0	0	0	0	112.8	T209 R258 T259	T209-S263 VanDerWaalsContact CG2-OG 3.23Å; T209-S263 WeakPolarHBondContact CG2-OG 3.4Å; R258-S263 PolarHBondContact NE-O 3.44Å; R258-S263 PolarHBondContact NE-OG 3.3Å; R258-S263 PolarHBondContact NH2-O 2.8Å; T259-S263 WeakPolarHBondContact O-CA 3.25Å; T259-S263 PolarHBondContact O-N 2.89Å; T259-S263 PolarHBondContact OG1-N 3.39Å
264	F	95.3	Very high	96.2	Very high	134 Å²	134	60.8 Å²	60.8	59%	0.588	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-74.8	132.7	171.6	-64.2	-40	0	0	0	109.4	R258 T259 H262 L266	R258-F264 CarbonylContact C-O 3.45Å; R258-F264 WeakPolarHBondContact CA-O 3.43Å; R258-F264 WeakPolarHBondContact CB-O 3.47Å; T259-F264 HydrophobicContact CG2-CB 4.23Å; T259-F264 PolarHBondContact N-O 3.2Å; T259-F264 PolarHBondContact OG1-N 2.66Å; H262-F264 HydrophobicContact CB-CD1 4.29Å; H262-F264 HydrophobicContact CB-CD2 3.73Å; H262-F264 HydrophobicContact CB-CE1 4.07Å; H262-F264 HydrophobicContact CB-CE2 3.48Å; H262-F264 VanDerWaalsContact CB-CE2 3.48Å; H262-F264 HydrophobicContact CB-CG 4.13Å; H262-F264 HydrophobicContact CB-CZ 3.66Å; H262-F264 AromaticContact CD2-CE2 3.73Å; H262-F264 AromaticContact CG-CE2 3.89Å; H262-F264 PolarHBondContact O-N 3.02Å; F264-L266 PolarHBondContact O-N 3.36Å
265	E	94.6	Very high	96.1	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.224	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-64.6	131.5	174.9	-164.3	-173.4	150.4	0	0	110.3	K269 S284 G285	E265-K269 HydrophobicContact CG-CD 4.05Å; E265-K269 VanDerWaalsContact OE1-CE 3.23Å; E265-K269 WeakPolarHBondContact OE1-CE 3.22Å; E265-K269 IonicContact OE1-NZ 3.66Å; E265-K269 PolarHBondContact OE1-NZ 2.88Å; E265-S284 WeakPolarHBondContact OE1-CA 3.47Å; E265-G285 PolarHBondContact OE2-N 2.77Å
266	L	95.3	Very high	96	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.183	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.7	143.9	176.8	-59.7	-178.8	0	0	0	110.3	E253 G257 T259 F264 K269 S284	E253-L266 HydrophobicContact CB-CD1 4.33Å; E253-L266 VanDerWaalsContact O-CD1 3.32Å; E253-L266 WeakPolarHBondContact O-CD1 3.38Å; G257-L266 PolarHBondContact O-N 3.18Å; T259-L266 HydrophobicContact CG2-CD2 3.86Å; F264-L266 PolarHBondContact O-N 3.36Å; L266-K269 HydrophobicContact CB-CG 3.85Å; L266-K269 WeakPolarHBondContact O-CG 3.27Å; L266-K269 PolarHBondContact O-NZ 3.3Å; L266-K269 VanDerWaalsContact O-NZ 3.12Å; L266-S284 PolarHBondContact O-OG 3.24Å
267	R	92.8	Very high	95.9	Very high	233 Å²	233	53.9 Å²	53.9	88%	0.879	26%	0.256	S	S	*	.	S	Bend	trans	-74.7	-42.3	175.9	-70.8	-176.8	177.2	171.9	-0.4	111.9
268	D	90.8	Very high	95.9	Very high	153 Å²	153	55 Å²	55	82%	0.818	26%	0.264	S	S	*	.	S	Bend	trans	-107.8	82.4	179.3	-169.9	20.4	0	0	0	109.2
269	K	94.8	Very high	95.8	Very high	12 Å²	12	53.9 Å²	53.9	5%	0.052	26%	0.26	C	S	.	.			trans	-89.2	137.4	-179.9	-68.5	178.3	-58.6	-70.2	0	110	E265 L266 I275 V276 T282 S284	E265-K269 HydrophobicContact CG-CD 4.05Å; E265-K269 VanDerWaalsContact OE1-CE 3.23Å; E265-K269 WeakPolarHBondContact OE1-CE 3.22Å; E265-K269 IonicContact OE1-NZ 3.66Å; E265-K269 PolarHBondContact OE1-NZ 2.88Å; L266-K269 HydrophobicContact CB-CG 3.85Å; L266-K269 WeakPolarHBondContact O-CG 3.27Å; L266-K269 PolarHBondContact O-NZ 3.3Å; L266-K269 VanDerWaalsContact O-NZ 3.12Å; K269-I275 HydrophobicContact CD-CB 4.5Å; K269-I275 HydrophobicContact CD-CG2 4.05Å; K269-V276 HydrophobicContact CB-CG2 3.61Å; K269-V276 HydrophobicContact CD-CG2 3.92Å; K269-V276 HydrophobicContact CG-CG2 4.37Å; K269-T282 VanDerWaalsContact CE-O 3.31Å; K269-T282 WeakPolarHBondContact CE-O 3.3Å; K269-T282 PolarHBondContact NZ-O 2.71Å; K269-S284 PolarHBondContact NZ-OG 2.85Å; K269-S284 VanDerWaalsContact NZ-OG 3.12Å
270	S	95.5	Very high	95.6	Very high	52 Å²	52	54.1 Å²	54.1	36%	0.364	27%	0.268	S	S	.	.			trans	-61.5	147.7	167.4	-175.6	0	0	0	0	110.9	T272 S273 V276	S270-T272 PolarHBondContact O-N 3.1Å; S270-T272 PolarHBondContact OG-N 3.26Å; S270-T272 PolarHBondContact OG-OG1 2.91Å; S270-S273 WeakPolarHBondContact O-CB 3.48Å; S270-S273 PolarHBondContact O-N 3.21Å; S270-S273 VanDerWaalsContact O-N 3.07Å; S270-S273 PolarHBondContact O-OG 3.04Å; S270-V276 WeakPolarHBondContact O-CG2 3.32Å
271	I	96.8	Very high	95.4	Very high	75 Å²	75	54.3 Å²	54.3	39%	0.385	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.5	172.2	-166.3	165	0	0	0	113	R277 E335	I271-R277 VanDerWaalsContact O-CD 3.25Å; I271-R277 WeakPolarHBondContact O-CD 3.19Å; I271-E335 HydrophobicContact CG2-CG 3.98Å
272	T	98	Very high	95.2	Very high	18 Å²	18	51.1 Å²	51.1	11%	0.11	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.2	177.4	56.3	0	0	0	0	113.8	S270 E335 M336 D338	S270-T272 PolarHBondContact O-N 3.1Å; S270-T272 PolarHBondContact OG-N 3.26Å; S270-T272 PolarHBondContact OG-OG1 2.91Å; T272-E335 HydrophobicContact CG2-CB 4.29Å; T272-E335 VanDerWaalsContact CG2-OE2 3.27Å; T272-E335 WeakPolarHBondContact CG2-OE2 3.33Å; T272-M336 WeakPolarHBondContact CA-O 3.17Å; T272-M336 WeakPolarHBondContact CB-O 3.13Å; T272-D338 VanDerWaalsContact CB-OD2 3.31Å; T272-D338 WeakPolarHBondContact CB-OD2 3.45Å; T272-D338 PolarHBondContact O-N 3.21Å; T272-D338 PolarHBondContact OG1-OD2 3.36Å
273	S	98.2	Very high	95.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-69.6	144.9	-176.3	86.8	0	0	0	0	111.2	K254 W255 S270 I275 V276 R277	K254-S273 WeakPolarHBondContact O-CB 3.47Å; W255-S273 CarbonylContact O-C 3.57Å; W255-S273 VanDerWaalsContact O-CA 3.23Å; W255-S273 WeakPolarHBondContact O-CA 3.45Å; S270-S273 WeakPolarHBondContact O-CB 3.48Å; S270-S273 PolarHBondContact O-N 3.21Å; S270-S273 VanDerWaalsContact O-N 3.07Å; S270-S273 PolarHBondContact O-OG 3.04Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 2.98Å; S273-V276 WeakPolarHBondContact O-CA 3.31Å; S273-V276 WeakPolarHBondContact O-CB 3.08Å; S273-V276 PolarHBondContact O-N 2.9Å; S273-V276 WeakPolarHBondContact OG-CG2 3.23Å; S273-R277 PolarHBondContact O-N 3.47Å
274	H	97.8	Very high	94.7	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.102	28%	0.278	C	S	.	.	H	α-helix	trans	-50.3	-49.8	-175.7	-175.4	52.1	0	0	0	113.2	W255 I256 V276 R277 V278 D337 V339	W255-H274 PolarHBondContact O-N 3.41Å; I256-H274 HydrophobicContact CD1-CB 4.21Å; I256-H274 PolarHBondContact O-N 3.07Å; H274-V276 VanDerWaalsContact C-N 3.28Å; H274-V276 PolarHBondContact O-N 2.98Å; H274-R277 PolarHBondContact O-N 3.07Å; H274-R277 VanDerWaalsContact O-N 3.11Å; H274-V278 WeakPolarHBondContact O-CG2 3.34Å; H274-V278 PolarHBondContact O-N 2.96Å; H274-D337 WeakPolarHBondContact CA-OD1 3.27Å; H274-D337 WeakPolarHBondContact CA-OD2 3.46Å; H274-D337 WeakPolarHBondContact CB-OD1 3.35Å; H274-D337 IonicContact CE1-OD2 2.69Å; H274-D337 IonicContact CG-OD1 3.79Å; H274-D337 IonicContact CG-OD2 3.24Å; H274-D337 PolarHBondContact N-OD1 2.96Å; H274-D337 IonicContact ND1-OD1 3.92Å; H274-D337 IonicContact ND1-OD2 3.65Å; H274-D337 PolarHBondContact ND1-OD2 3.04Å; H274-V339 HydrophobicContact CB-CB 4.12Å
275	I	96.1	Very high	94.3	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.062	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-40.5	177.3	-72.4	-60.8	0	0	0	112	I256 R258 K269 S273 I279	I256-I275 WeakPolarHBondContact O-CB 3.19Å; I256-I275 VanDerWaalsContact O-CG1 3.27Å; I256-I275 WeakPolarHBondContact O-CG1 3.46Å; I256-I275 PolarHBondContact O-N 2.89Å; R258-I275 HydrophobicContact CG-CD1 4.29Å; R258-I275 HydrophobicContact CG-CG1 3.71Å; K269-I275 HydrophobicContact CD-CB 4.5Å; K269-I275 HydrophobicContact CD-CG2 4.05Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 2.98Å; I275-I279 HydrophobicContact CG2-CD1 3.5Å; I275-I279 VanDerWaalsContact CG2-CD1 3.5Å; I275-I279 HydrophobicContact CG2-CG1 4.14Å; I275-I279 WeakPolarHBondContact O-CB 3.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.31Å; I275-I279 PolarHBondContact O-N 2.89Å
276	V	96.7	Very high	94	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-37.6	178.6	174.5	0	0	0	0	111.3	K269 S270 S273 H274 G280 T282	K269-V276 HydrophobicContact CB-CG2 3.61Å; K269-V276 HydrophobicContact CD-CG2 3.92Å; K269-V276 HydrophobicContact CG-CG2 4.37Å; S270-V276 WeakPolarHBondContact O-CG2 3.32Å; S273-V276 WeakPolarHBondContact O-CA 3.31Å; S273-V276 WeakPolarHBondContact O-CB 3.08Å; S273-V276 PolarHBondContact O-N 2.9Å; S273-V276 WeakPolarHBondContact OG-CG2 3.23Å; H274-V276 VanDerWaalsContact C-N 3.28Å; H274-V276 PolarHBondContact O-N 2.98Å; V276-G280 WeakPolarHBondContact O-CA 3.47Å; V276-G280 PolarHBondContact O-N 3.35Å; V276-T282 HydrophobicContact CG1-CG2 3.85Å; V276-T282 HydrophobicContact CG2-CG2 4.24Å
277	R	97	Very high	93.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-45.6	176.3	-59.4	-47	-63.2	169.2	-0.8	111.3	I271 S273 H274 R326 T331 D333 E335 D337	I271-R277 VanDerWaalsContact O-CD 3.25Å; I271-R277 WeakPolarHBondContact O-CD 3.19Å; S273-R277 PolarHBondContact O-N 3.47Å; H274-R277 PolarHBondContact O-N 3.07Å; H274-R277 VanDerWaalsContact O-N 3.11Å; R277-R326 HydrophobicContact CB-CB 4.49Å; R277-R326 PolarHBondContact NE-O 3.12Å; R277-R326 PolarHBondContact NH2-O 2.83Å; R277-R326 VanDerWaalsContact O-CD 3.32Å; R277-R326 WeakPolarHBondContact O-CD 3.48Å; R277-R326 PolarHBondContact O-NE 3.22Å; R277-T331 PolarHBondContact NH2-OG1 2.69Å; R277-D333 IonicContact CZ-OD1 2.84Å; R277-D333 IonicContact CZ-OD2 2.86Å; R277-D333 IonicContact NH1-OD1 2.97Å; R277-D333 IonicContact NH1-OD2 3.74Å; R277-D333 PolarHBondContact NH1-OD2 2.87Å; R277-D333 IonicContact NH2-OD1 2.79Å; R277-D333 PolarHBondContact NH2-OD1 3.12Å; R277-D333 VanDerWaalsContact NH2-OD1 3.13Å; R277-D333 IonicContact NH2-OD2 3.45Å; R277-E335 PolarHBondContact NH2-O 3.32Å; R277-D337 HydrophobicContact CB-CB 4.31Å; R277-D337 HydrophobicContact CG-CB 3.76Å
278	V	95.9	Very high	93.7	Very high	25 Å²	25	46 Å²	46	15%	0.152	28%	0.281	C	S	.	.	H	α-helix	trans	-82.1	-32.1	-176.5	-54.9	0	0	0	0	114.3	H274 M323	H274-V278 WeakPolarHBondContact O-CG2 3.34Å; H274-V278 PolarHBondContact O-N 2.96Å; V278-M323 HydrophobicContact CB-CG 4.29Å; V278-M323 HydrophobicContact CB-SD 4.32Å
279	I	94.5	Very high	93.8	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-79.4	-37.9	175.9	-63.4	-174.4	0	0	0	110.7	I275 T281 P288 K289	I275-I279 HydrophobicContact CG2-CD1 3.5Å; I275-I279 VanDerWaalsContact CG2-CD1 3.5Å; I275-I279 HydrophobicContact CG2-CG1 4.14Å; I275-I279 WeakPolarHBondContact O-CB 3.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.31Å; I275-I279 PolarHBondContact O-N 2.89Å; I279-T281 HydrophobicContact CG2-CG2 3.62Å; I279-P288 HydrophobicContact CB-CB 4.33Å; I279-P288 HydrophobicContact CG1-CB 4.23Å; I279-P288 HydrophobicContact CG2-CB 4.17Å; I279-K289 PolarHBondContact O-N 3.17Å; I279-K289 VanDerWaalsContact O-N 3.17Å
280	G	93.7	Very high	93.9	Very high	34 Å²	34	47.6 Å²	47.6	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	92.2	15	-178	0	0	0	0	0	115.2	V276	V276-G280 WeakPolarHBondContact O-CA 3.47Å; V276-G280 PolarHBondContact O-N 3.35Å
281	T	92.9	Very high	93.9	Very high	30 Å²	30	50 Å²	50	18%	0.184	28%	0.282	C	S	.	.			trans	-154.6	148.3	179.4	172.7	0	0	0	0	111.2	I279 E283 K286	I279-T281 HydrophobicContact CG2-CG2 3.62Å; T281-E283 WeakPolarHBondContact OG1-CB 3.19Å; T281-E283 PolarHBondContact OG1-N 2.84Å; T281-E283 VanDerWaalsContact OG1-N 3.07Å; T281-K286 HydrophobicContact CG2-CB 3.72Å; T281-K286 HydrophobicContact CG2-CD 4.11Å; T281-K286 HydrophobicContact CG2-CG 4.47Å
282	T	92.8	Very high	94	Very high	68 Å²	68	47.8 Å²	47.8	42%	0.417	27%	0.27	S	S	.	.	S	Bend	trans	-80.8	-23.3	172.1	52.1	0	0	0	0	112.3	K269 V276 S284	K269-T282 VanDerWaalsContact CE-O 3.31Å; K269-T282 WeakPolarHBondContact CE-O 3.3Å; K269-T282 PolarHBondContact NZ-O 2.71Å; V276-T282 HydrophobicContact CG1-CG2 3.85Å; V276-T282 HydrophobicContact CG2-CG2 4.24Å; T282-S284 PolarHBondContact O-N 2.71Å
283	E	91.6	Very high	94	Very high	106 Å²	106	46.9 Å²	46.9	50%	0.495	27%	0.265	S	S	.	.	S	Bend	trans	-64	124.4	-179.2	-65	-179.4	-126	0	0	112.3	T281 K286	T281-E283 WeakPolarHBondContact OG1-CB 3.19Å; T281-E283 PolarHBondContact OG1-N 2.84Å; T281-E283 VanDerWaalsContact OG1-N 3.07Å; E283-K286 HydrophobicContact CB-CD 3.84Å; E283-K286 HydrophobicContact CB-CG 3.98Å; E283-K286 VanDerWaalsContact CD-CE 3.42Å; E283-K286 HydrophobicContact CG-CD 4.47Å; E283-K286 IonicContact OE1-NZ 3.9Å; E283-K286 PolarHBondContact OE1-NZ 3.17Å; E283-K286 WeakPolarHBondContact OE2-CE 3.48Å; E283-K286 IonicContact OE2-NZ 3.68Å; E283-K286 PolarHBondContact OE2-NZ 2.79Å
284	S	88.2	Confident	94	Very high	58 Å²	58	49 Å²	49	41%	0.406	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	142.2	-178.6	-60.7	0	0	0	0	113.3	E265 L266 K269 T282 K286	E265-S284 WeakPolarHBondContact OE1-CA 3.47Å; L266-S284 PolarHBondContact O-OG 3.24Å; K269-S284 PolarHBondContact NZ-OG 2.85Å; K269-S284 VanDerWaalsContact NZ-OG 3.12Å; T282-S284 PolarHBondContact O-N 2.71Å; S284-K286 PolarHBondContact O-N 2.94Å
285	G	86.5	Confident	93.9	Very high	66 Å²	66	48 Å²	48	68%	0.68	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	1.8	176.4	0	0	0	0	0	114.9	E265	E265-G285 PolarHBondContact OE2-N 2.77Å
286	K	89	Confident	94	Very high	91 Å²	91	48.1 Å²	48.1	40%	0.396	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.5	138.2	169.4	-82.2	-160.7	168.2	166.1	0	110.3	T281 E283 S284	T281-K286 HydrophobicContact CG2-CB 3.72Å; T281-K286 HydrophobicContact CG2-CD 4.11Å; T281-K286 HydrophobicContact CG2-CG 4.47Å; E283-K286 HydrophobicContact CB-CD 3.84Å; E283-K286 HydrophobicContact CB-CG 3.98Å; E283-K286 VanDerWaalsContact CD-CE 3.42Å; E283-K286 HydrophobicContact CG-CD 4.47Å; E283-K286 IonicContact OE1-NZ 3.9Å; E283-K286 PolarHBondContact OE1-NZ 3.17Å; E283-K286 WeakPolarHBondContact OE2-CE 3.48Å; E283-K286 IonicContact OE2-NZ 3.68Å; E283-K286 PolarHBondContact OE2-NZ 2.79Å; S284-K286 PolarHBondContact O-N 2.94Å
287	P	89.4	Confident	94.1	Very high	105 Å²	105	48.2 Å²	48.2	68%	0.682	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-65	149.8	173.8	28.9	-34.4	0	0	0	110.2
288	P	92.5	Very high	94.2	Very high	28 Å²	28	48.5 Å²	48.5	18%	0.182	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.5	146	176	30.8	-36.7	0	0	0	110.7	I279 F290 R291	I279-P288 HydrophobicContact CB-CB 4.33Å; I279-P288 HydrophobicContact CG1-CB 4.23Å; I279-P288 HydrophobicContact CG2-CB 4.17Å; P288-F290 WeakPolarHBondContact CB-O 3.23Å; P288-F290 PolarHBondContact O-N 2.91Å; P288-R291 HydrophobicContact CG-CG 4Å
289	K	92.4	Very high	94.3	Very high	143 Å²	143	47.9 Å²	47.9	62%	0.622	27%	0.267	S	S	*	.	S	Bend	trans	-57.4	-39.6	175.6	-176.2	-179.3	178.1	-178.6	0	111.9	I279 F322	I279-K289 PolarHBondContact O-N 3.17Å; I279-K289 VanDerWaalsContact O-N 3.17Å; K289-F322 HydrophobicContact CB-CE1 4.35Å; K289-F322 HydrophobicContact CB-CZ 4.23Å; K289-F322 HydrophobicContact CD-CD2 4.17Å; K289-F322 HydrophobicContact CD-CE2 3.7Å; K289-F322 HydrophobicContact CD-CZ 3.96Å
290	F	96.3	Very high	94.4	Very high	56 Å²	56	49.2 Å²	49.2	25%	0.246	28%	0.282	C	S	.	.	S	Bend	trans	-127.9	140.1	175.7	-64.6	-75.2	0	0	0	110.1	P288 N319 F322 M323	P288-F290 WeakPolarHBondContact CB-O 3.23Å; P288-F290 PolarHBondContact O-N 2.91Å; F290-N319 HydrophobicContact CB-CB 3.89Å; F290-N319 HydrophobicContact CD1-CB 4.46Å; F290-N319 VanDerWaalsContact CD1-OD1 3.3Å; F290-N319 WeakPolarHBondContact CD1-OD1 3.37Å; F290-N319 HydrophobicContact CG-CB 4.37Å; F290-F322 HydrophobicContact CD2-CB 3.54Å; F290-F322 AromaticContact CD2-CD1 3.62Å; F290-F322 HydrophobicContact CD2-CD1 3.62Å; F290-F322 HydrophobicContact CD2-CD2 4.07Å; F290-F322 HydrophobicContact CD2-CE1 4.34Å; F290-F322 AromaticContact CD2-CG 3.44Å; F290-F322 HydrophobicContact CD2-CG 3.44Å; F290-F322 VanDerWaalsContact CD2-CG 3.44Å; F290-F322 HydrophobicContact CE2-CB 3.63Å; F290-F322 HydrophobicContact CE2-CD1 4.27Å; F290-F322 AromaticContact CE2-CD2 3.87Å; F290-F322 HydrophobicContact CE2-CD2 3.87Å; F290-F322 AromaticContact CE2-CG 3.64Å; F290-F322 HydrophobicContact CE2-CG 3.64Å; F290-M323 HydrophobicContact CB-CE 4.4Å; F290-M323 WeakPolarHBondContact O-CE 3.39Å
291	R	96.4	Very high	94.6	Very high	103 Å²	103	51.3 Å²	51.3	39%	0.389	29%	0.289	S	S	.	.			trans	-103.6	148.9	178.9	-64.1	-172.4	-65.5	169.4	2.3	110.2	E220 V221 P288 N319	E220-R291 IonicContact OE1-NH2 3.84Å; E220-R291 PolarHBondContact OE1-NH2 2.72Å; E220-R291 IonicContact OE2-CZ 3.95Å; E220-R291 IonicContact OE2-NH1 3.13Å; E220-R291 IonicContact OE2-NH2 3.59Å; E220-R291 PolarHBondContact OE2-NH2 3.33Å; V221-R291 HydrophobicContact CB-CB 4.36Å; V221-R291 VanDerWaalsContact CG1-C 3.46Å; V221-R291 HydrophobicContact CG1-CB 3.66Å; V221-R291 HydrophobicContact CG2-CB 3.7Å; V221-R291 HydrophobicContact CG2-CG 4.44Å; V221-R291 VanDerWaalsContact CG2-CZ 3.48Å; P288-R291 HydrophobicContact CG-CG 4Å; R291-N319 PolarHBondContact O-ND2 2.88Å
292	I	97.9	Very high	94.5	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.138	32%	0.321	C	S	.	.			trans	-138.3	156.9	173.1	60.3	174.4	0	0	0	108.5	F310 A312 Y313 A314 N319 F320 M323	I292-F310 HydrophobicContact CD1-CZ 4.09Å; I292-A312 HydrophobicContact CB-CB 4.24Å; I292-A312 HydrophobicContact CD1-CB 3.78Å; I292-A312 HydrophobicContact CG1-CB 4.37Å; I292-Y313 WeakPolarHBondContact CA-O 3.46Å; I292-A314 HydrophobicContact CG2-CB 4.15Å; I292-N319 HydrophobicContact CG2-CB 4.07Å; I292-F320 HydrophobicContact CB-CE1 4.3Å; I292-F320 HydrophobicContact CG2-CD1 4Å; I292-F320 HydrophobicContact CG2-CE1 3.64Å; I292-M323 HydrophobicContact CD1-CE 4.16Å; I292-M323 HydrophobicContact CD1-SD 3.81Å; I292-M323 HydrophobicContact CG1-CE 4.18Å; I292-M323 HydrophobicContact CG1-SD 4.49Å; I292-M323 HydrophobicContact CG2-CE 3.85Å; I292-M323 HydrophobicContact CG2-SD 4.35Å
293	V	98	Very high	94.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	100	166.5	-179.1	0	0	0	0	107.6	P212 R218 V221 A222 Q295 A312 Y313	P212-V293 HydrophobicContact CG-CG2 4.36Å; R218-V293 HydrophobicContact CB-CG2 4.07Å; R218-V293 HydrophobicContact CG-CG1 4.47Å; R218-V293 HydrophobicContact CG-CG2 4.21Å; V221-V293 HydrophobicContact CB-CG2 4.08Å; V221-V293 HydrophobicContact CG1-CG2 3.92Å; A222-V293 HydrophobicContact CB-CB 4.4Å; A222-V293 HydrophobicContact CB-CG2 3.92Å; V293-Q295 HydrophobicContact CG1-CG 4.15Å; V293-A312 CarbonylContact O-C 3.59Å; V293-A312 VanDerWaalsContact O-CA 3.25Å; V293-A312 WeakPolarHBondContact O-CA 3.41Å; V293-Y313 PolarHBondContact N-O 2.83Å; V293-Y313 PolarHBondContact O-N 2.81Å
294	R	97.6	Very high	94.8	Very high	45 Å²	45	57.8 Å²	57.8	17%	0.17	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.8	-179.8	-174	172.8	172.6	173.6	-12.8	110.2	D207 N211 S296 L308 F310 A312	D207-R294 WeakPolarHBondContact OD1-CD 3.23Å; D207-R294 IonicContact OD1-CZ 3.8Å; D207-R294 IonicContact OD1-NE 2.89Å; D207-R294 PolarHBondContact OD1-NE 2.93Å; D207-R294 IonicContact OD1-NH1 2.7Å; D207-R294 PolarHBondContact OD1-NH1 3.05Å; D207-R294 IonicContact OD1-NH2 3.93Å; D207-R294 PolarHBondContact OD1-NH2 3.42Å; D207-R294 IonicContact OD2-CZ 3.58Å; D207-R294 IonicContact OD2-NE 2.79Å; D207-R294 PolarHBondContact OD2-NE 2.96Å; D207-R294 IonicContact OD2-NH2 3.93Å; D207-R294 PolarHBondContact OD2-NH2 2.88Å; N211-R294 PolarHBondContact ND2-O 3.18Å; N211-R294 WeakPolarHBondContact OD1-CB 3.17Å; N211-R294 PolarHBondContact OD1-N 3.44Å; N211-R294 PolarHBondContact OD1-O 2.68Å; R294-S296 WeakPolarHBondContact CG-OG 3.13Å; R294-S296 PolarHBondContact NE-OG 3.08Å; R294-S296 VanDerWaalsContact NE-OG 3.17Å; R294-L308 VanDerWaalsContact NH2-CD2 3.32Å; R294-F310 HydrophobicContact CG-CD2 4.49Å; R294-F310 HydrophobicContact CG-CE2 3.97Å; R294-A312 HydrophobicContact CB-CB 4.48Å
295	Q	97.3	Very high	95.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	35%	0.347	C	S	.	.			trans	-135.6	29.2	-179.5	-60.3	-177.7	-3	0	0	111.4	S62 V63 S65 T67 H160 V293 I311	S62-Q295 PolarHBondContact O-NE2 2.91Å; S62-Q295 PolarHBondContact O-OE1 3.31Å; V63-Q295 PolarHBondContact O-NE2 2.86Å; S65-Q295 PolarHBondContact O-NE2 3.32Å; T67-Q295 HydrophobicContact CG2-CB 4.12Å; T67-Q295 HydrophobicContact CG2-CG 4.42Å; H160-Q295 PolarHBondContact CE1-OE1 3.2Å; H160-Q295 VanDerWaalsContact CE1-OE1 3.26Å; V293-Q295 HydrophobicContact CG1-CG 4.15Å; Q295-I311 VanDerWaalsContact C-CG2 3.46Å; Q295-I311 HydrophobicContact CB-CG2 3.95Å; Q295-I311 PolarHBondContact N-O 2.9Å; Q295-I311 VanDerWaalsContact O-CG2 3.27Å; Q295-I311 WeakPolarHBondContact O-CG2 3.46Å
296	S	97.7	Very high	95.8	Very high	13 Å²	13	57.1 Å²	57.1	9%	0.091	32%	0.318	C	S	.	.			trans	-61.1	150.5	179.4	-40.2	0	0	0	0	111.8	D207 R294 L309 F310 I311	D207-S296 WeakPolarHBondContact OD2-CB 3.29Å; R294-S296 WeakPolarHBondContact CG-OG 3.13Å; R294-S296 PolarHBondContact NE-OG 3.08Å; R294-S296 VanDerWaalsContact NE-OG 3.17Å; S296-L309 WeakPolarHBondContact CA-O 3.49Å; S296-L309 VanDerWaalsContact CB-O 3.3Å; S296-L309 WeakPolarHBondContact CB-O 3.42Å; S296-F310 WeakPolarHBondContact OG-CA 3.41Å; S296-F310 VanDerWaalsContact OG-CD2 3.31Å; S296-F310 WeakPolarHBondContact OG-CD2 3.48Å; S296-I311 PolarHBondContact N-O 2.85Å; S296-I311 PolarHBondContact OG-N 3.38Å; S296-I311 PolarHBondContact OG-O 3.17Å
297	Q	98.4	Very high	96.2	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.9	171.8	-72.8	-172.6	-37.2	0	0	111.4	K68 S71 F73 G193 L309	K68-Q297 PolarHBondContact O-NE2 3.32Å; S71-Q297 VanDerWaalsContact OG-CD 3.27Å; S71-Q297 PolarHBondContact OG-OE1 3.41Å; F73-Q297 HydrophobicContact CE2-CB 4.5Å; F73-Q297 HydrophobicContact CZ-CB 4.37Å; G193-Q297 VanDerWaalsContact C-OE1 3.29Å; Q297-L309 PolarHBondContact N-O 3.39Å; Q297-L309 VanDerWaalsContact N-O 3.17Å; Q297-L309 PolarHBondContact O-N 3.12Å
298	P	98.6	Very high	96.7	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	147.6	163.8	-31.3	36.5	0	0	0	113.1	G193 W194 R200 L202 G307	G193-P298 VanDerWaalsContact CA-O 3.23Å; G193-P298 WeakPolarHBondContact CA-O 3.25Å; W194-P298 HydrophobicContact CD2-CB 4.39Å; W194-P298 HydrophobicContact CZ2-CB 4.06Å; W194-P298 PolarHBondContact N-O 2.94Å; W194-P298 VanDerWaalsContact N-O 3.08Å; W194-P298 VanDerWaalsContact O-CD 3.29Å; W194-P298 WeakPolarHBondContact O-CD 3.27Å; R200-P298 VanDerWaalsContact O-CG 3.26Å; R200-P298 WeakPolarHBondContact O-CG 3.48Å; L202-P298 HydrophobicContact CD1-CB 4.43Å; L202-P298 HydrophobicContact CD2-CB 3.9Å; L202-P298 HydrophobicContact CD2-CG 4.3Å; L202-P298 HydrophobicContact CG-CB 3.91Å; L202-P298 HydrophobicContact CG-CG 4.37Å; P298-G307 VanDerWaalsContact CA-O 3.28Å; P298-G307 WeakPolarHBondContact CA-O 3.47Å
299	Y	98.6	Very high	97	Very high	13 Å²	13	47.1 Å²	47.1	5%	0.051	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	168.1	169.2	81	-80.7	0	0	0	111.1	I191 K236 A306 G307 L309	I191-Y299 HydrophobicContact CG2-CD1 4.47Å; I191-Y299 HydrophobicContact CG2-CD2 3.9Å; I191-Y299 HydrophobicContact CG2-CG 3.74Å; K236-Y299 HydrophobicContact CD-CE2 4.5Å; K236-Y299 VanDerWaalsContact CE-CZ 3.47Å; K236-Y299 WeakPolarHBondContact CE-OH 3.37Å; K236-Y299 HydrophobicContact CG-CE1 3.88Å; K236-Y299 HydrophobicContact CG-CE2 4.38Å; K236-Y299 WeakPolarHBondContact CG-OH 3.46Å; Y299-A306 WeakPolarHBondContact O-CA 3.18Å; Y299-G307 PolarHBondContact N-O 3.03Å; Y299-G307 PolarHBondContact O-N 3.16Å; Y299-G307 VanDerWaalsContact O-N 3.12Å; Y299-L309 HydrophobicContact CD1-CB 4.13Å
300	G	97.4	Very high	97.3	Very high	36 Å²	36	41.4 Å²	41.4	37%	0.371	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.2	-167.4	165.7	0	0	0	0	0	115.2	E305	G300-E305 WeakPolarHBondContact CA-O 3.25Å
301	T	96.5	Very high	97.4	Very high	79 Å²	79	38.8 Å²	38.8	49%	0.485	23%	0.225	S	C	.	.			trans	-139.1	156.3	-175.8	69.6	0	0	0	0	111	S303 G304 E305	T301-S303 PolarHBondContact O-N 3.34Å; T301-S303 PolarHBondContact OG1-OG 3.24Å; T301-G304 CarbonylContact O-C 3.48Å; T301-G304 PolarHBondContact O-N 2.72Å; T301-G304 PolarHBondContact OG1-N 3.13Å; T301-E305 PolarHBondContact N-O 3.19Å; T301-E305 VanDerWaalsContact N-O 3.13Å
302	L	91.8	Very high	97.5	Very high	165 Å²	165	33.9 Å²	33.9	86%	0.864	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.7	176.3	-66.3	179.1	0	0	0	113.7	G304	L302-G304 VanDerWaalsContact C-N 3.35Å
303	S	95.8	Very high	97.5	Very high	122 Å²	122	32.6 Å²	32.6	85%	0.853	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4	176.9	61.1	0	0	0	0	113.2	T301	T301-S303 PolarHBondContact O-N 3.34Å; T301-S303 PolarHBondContact OG1-OG 3.24Å
304	G	95.1	Very high	97.6	Very high	52 Å²	52	32.6 Å²	32.6	54%	0.536	20%	0.2	S	C	.	.	S	Bend	trans	-138.9	-145.3	179	0	0	0	0	0	110.6	T301 L302	T301-G304 CarbonylContact O-C 3.48Å; T301-G304 PolarHBondContact O-N 2.72Å; T301-G304 PolarHBondContact OG1-N 3.13Å; L302-G304 VanDerWaalsContact C-N 3.35Å
305	E	96.9	Very high	97.6	Very high	101 Å²	101	31.4 Å²	31.4	47%	0.472	20%	0.201	S	C	.	.			trans	-79.9	140.8	173.4	-62.2	175.5	168.2	0	0	110.2	K236 I238 G300 T301	K236-E305 IonicContact NZ-OE2 3.44Å; I238-E305 HydrophobicContact CD1-CB 4.36Å; I238-E305 HydrophobicContact CD1-CG 3.91Å; I238-E305 WeakPolarHBondContact CD1-OE1 3.48Å; I238-E305 HydrophobicContact CG1-CB 4.36Å; I238-E305 HydrophobicContact CG1-CG 4.43Å; I238-E305 HydrophobicContact CG2-CB 4.37Å; I238-E305 HydrophobicContact CG2-CG 4.46Å; G300-E305 WeakPolarHBondContact CA-O 3.25Å; T301-E305 PolarHBondContact N-O 3.19Å; T301-E305 VanDerWaalsContact N-O 3.13Å
306	A	98.3	Very high	97.6	Very high	9 Å²	9	32.8 Å²	32.8	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.8	169.8	0	0	0	0	0	109.8	L202 H239 Y299	L202-A306 HydrophobicContact CD1-CB 3.87Å; H239-A306 PolarHBondContact N-O 2.75Å; Y299-A306 WeakPolarHBondContact O-CA 3.18Å
307	G	98.5	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-136.1	178.1	0	0	0	0	0	111	W237 P298 Y299	W237-G307 CarbonylContact O-C 3.55Å; W237-G307 VanDerWaalsContact O-CA 3.31Å; W237-G307 WeakPolarHBondContact O-CA 3.33Å; P298-G307 VanDerWaalsContact CA-O 3.28Å; P298-G307 WeakPolarHBondContact CA-O 3.47Å; Y299-G307 PolarHBondContact N-O 3.03Å; Y299-G307 PolarHBondContact O-N 3.16Å; Y299-G307 VanDerWaalsContact O-N 3.12Å
308	L	98.7	Very high	97.5	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130	-176.5	-171.3	75.6	0	0	0	110	D201 W237 R294 F310	D201-L308 HydrophobicContact CB-CD1 4.48Å; W237-L308 HydrophobicContact CB-CB 4.43Å; W237-L308 WeakPolarHBondContact CB-O 3.29Å; W237-L308 PolarHBondContact N-O 2.87Å; W237-L308 PolarHBondContact O-N 3.5Å; R294-L308 VanDerWaalsContact NH2-CD2 3.32Å; L308-F310 HydrophobicContact CD2-CB 4.41Å
309	L	98.8	Very high	97.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.5	158.9	-159.2	94.8	0	0	0	108.2	F73 I191 V234 K236 S296 Q297 Y299 I311	F73-L309 HydrophobicContact CB-CD2 3.17Å; F73-L309 HydrophobicContact CD1-CD2 3.35Å; F73-L309 HydrophobicContact CD2-CB 4.25Å; F73-L309 HydrophobicContact CD2-CD2 3.16Å; F73-L309 HydrophobicContact CD2-CG 4.29Å; F73-L309 HydrophobicContact CE1-CD2 3.85Å; F73-L309 HydrophobicContact CE2-CB 4.09Å; F73-L309 HydrophobicContact CE2-CD2 3.67Å; F73-L309 HydrophobicContact CG-CD2 2.93Å; F73-L309 HydrophobicContact CG-CG 4.35Å; F73-L309 HydrophobicContact CZ-CD2 3.99Å; I191-L309 HydrophobicContact CD1-CD1 3.57Å; I191-L309 HydrophobicContact CG2-CB 4.49Å; I191-L309 HydrophobicContact CG2-CD1 4.25Å; V234-L309 HydrophobicContact CG1-CD2 4.31Å; K236-L309 HydrophobicContact CB-CD1 3.75Å; K236-L309 HydrophobicContact CG-CD1 4.06Å; S296-L309 WeakPolarHBondContact CA-O 3.49Å; S296-L309 VanDerWaalsContact CB-O 3.3Å; S296-L309 WeakPolarHBondContact CB-O 3.42Å; Q297-L309 PolarHBondContact N-O 3.39Å; Q297-L309 VanDerWaalsContact N-O 3.17Å; Q297-L309 PolarHBondContact O-N 3.12Å; Y299-L309 HydrophobicContact CD1-CB 4.13Å; L309-I311 PolarHBondContact O-N 3.35Å
310	F	98.7	Very high	97.5	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.105	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.3	177	-178.8	-86.2	0	0	0	109.5	L233 V234 Q235 I292 R294 S296 L308 A312	L233-F310 HydrophobicContact CB-CE1 4.33Å; L233-F310 HydrophobicContact CD2-CD1 4.22Å; L233-F310 HydrophobicContact CD2-CE1 3.66Å; L233-F310 HydrophobicContact CG-CD1 4.14Å; L233-F310 HydrophobicContact CG-CE1 3.88Å; V234-F310 CarbonylContact C-O 3.55Å; V234-F310 VanDerWaalsContact CA-O 3.29Å; V234-F310 WeakPolarHBondContact CA-O 3.42Å; Q235-F310 HydrophobicContact CB-CB 4.31Å; Q235-F310 PolarHBondContact N-O 3.33Å; Q235-F310 PolarHBondContact O-N 3.45Å; I292-F310 HydrophobicContact CD1-CZ 4.09Å; R294-F310 HydrophobicContact CG-CD2 4.49Å; R294-F310 HydrophobicContact CG-CE2 3.97Å; S296-F310 WeakPolarHBondContact OG-CA 3.41Å; S296-F310 VanDerWaalsContact OG-CD2 3.31Å; S296-F310 WeakPolarHBondContact OG-CD2 3.48Å; L308-F310 HydrophobicContact CD2-CB 4.41Å; F310-A312 HydrophobicContact CE1-CB 3.64Å; F310-A312 HydrophobicContact CZ-CB 3.57Å
311	I	98.6	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	159.4	-173.4	166.2	0	0	0	110.3	F73 F158 H160 L233 V234 Q295 S296 L309 Y313 F353	F73-I311 HydrophobicContact CE1-CB 4.36Å; F73-I311 HydrophobicContact CE1-CG2 3.7Å; F73-I311 HydrophobicContact CZ-CG2 4.45Å; F158-I311 HydrophobicContact CE1-CD1 3.75Å; F158-I311 HydrophobicContact CZ-CD1 4.26Å; H160-I311 HydrophobicContact CB-CD1 3.99Å; L233-I311 VanDerWaalsContact O-CA 3.28Å; L233-I311 WeakPolarHBondContact O-CA 3.42Å; V234-I311 HydrophobicContact CG2-CB 4.4Å; V234-I311 HydrophobicContact CG2-CD1 3.9Å; V234-I311 HydrophobicContact CG2-CG1 3.93Å; Q295-I311 VanDerWaalsContact C-CG2 3.46Å; Q295-I311 HydrophobicContact CB-CG2 3.95Å; Q295-I311 PolarHBondContact N-O 2.9Å; Q295-I311 VanDerWaalsContact O-CG2 3.27Å; Q295-I311 WeakPolarHBondContact O-CG2 3.46Å; S296-I311 PolarHBondContact N-O 2.85Å; S296-I311 PolarHBondContact OG-N 3.38Å; S296-I311 PolarHBondContact OG-O 3.17Å; L309-I311 PolarHBondContact O-N 3.35Å; I311-Y313 HydrophobicContact CD1-CE2 4.07Å; I311-Y313 WeakPolarHBondContact CD1-OH 3.4Å; I311-Y313 HydrophobicContact CG1-CE2 4.19Å; I311-F353 HydrophobicContact CD1-CZ 4.46Å
312	A	98.6	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.5	168.6	0	0	0	0	0	111.8	G232 L233 I292 V293 R294 F310 F320	G232-A312 CarbonylContact C-O 3.52Å; G232-A312 VanDerWaalsContact CA-O 3.28Å; G232-A312 WeakPolarHBondContact CA-O 3.49Å; L233-A312 PolarHBondContact N-O 2.82Å; L233-A312 PolarHBondContact O-N 3Å; I292-A312 HydrophobicContact CB-CB 4.24Å; I292-A312 HydrophobicContact CD1-CB 3.78Å; I292-A312 HydrophobicContact CG1-CB 4.37Å; V293-A312 CarbonylContact O-C 3.59Å; V293-A312 VanDerWaalsContact O-CA 3.25Å; V293-A312 WeakPolarHBondContact O-CA 3.41Å; R294-A312 HydrophobicContact CB-CB 4.48Å; F310-A312 HydrophobicContact CE1-CB 3.64Å; F310-A312 HydrophobicContact CZ-CB 3.57Å; A312-F320 HydrophobicContact CB-CE1 3.84Å; A312-F320 HydrophobicContact CB-CZ 4.47Å; A312-F320 VanDerWaalsContact O-CZ 3.29Å; A312-F320 WeakPolarHBondContact O-CZ 3.34Å
313	Y	98.7	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.8	179.1	-63.5	-79.7	0	0	0	111.4	S62 V63 H160 Y231 I292 V293 I311 F353	S62-Y313 PolarHBondContact OG-OH 2.75Å; V63-Y313 HydrophobicContact CB-CD1 4.4Å; V63-Y313 HydrophobicContact CB-CE1 4.44Å; V63-Y313 HydrophobicContact CG1-CD1 3.91Å; V63-Y313 HydrophobicContact CG1-CE1 4.43Å; V63-Y313 HydrophobicContact CG1-CG 3.98Å; V63-Y313 HydrophobicContact CG2-CD1 4.27Å; V63-Y313 HydrophobicContact CG2-CE1 4Å; V63-Y313 WeakPolarHBondContact O-CD2 3.42Å; H160-Y313 AromaticContact ND1-CE2 3.83Å; H160-Y313 AromaticContact ND1-CZ 3.73Å; H160-Y313 PolarHBondContact ND1-OH 2.83Å; Y231-Y313 CarbonylContact O-C 3.52Å; Y231-Y313 WeakPolarHBondContact O-CA 2.84Å; I292-Y313 WeakPolarHBondContact CA-O 3.46Å; V293-Y313 PolarHBondContact N-O 2.83Å; V293-Y313 PolarHBondContact O-N 2.81Å; I311-Y313 HydrophobicContact CD1-CE2 4.07Å; I311-Y313 WeakPolarHBondContact CD1-OH 3.4Å; I311-Y313 HydrophobicContact CG1-CE2 4.19Å; Y313-F353 HydrophobicContact CD1-CD2 4.26Å; Y313-F353 HydrophobicContact CD1-CE2 4.41Å; Y313-F353 HydrophobicContact CE1-CD1 4.11Å; Y313-F353 AromaticContact CE1-CD2 3.65Å; Y313-F353 HydrophobicContact CE1-CD2 3.65Å; Y313-F353 HydrophobicContact CE1-CE1 4.02Å; Y313-F353 AromaticContact CE1-CE2 3.56Å; Y313-F353 HydrophobicContact CE1-CE2 3.56Å; Y313-F353 AromaticContact CE1-CG 3.91Å; Y313-F353 HydrophobicContact CE1-CG 3.91Å; Y313-F353 AromaticContact CE1-CZ 3.73Å; Y313-F353 HydrophobicContact CE1-CZ 3.73Å
314	A	98.4	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	151	177.8	0	0	0	0	0	111.4	V221 A222 Y231 I292 N316 N319 F320	V221-A314 CarbonylContact O-C 3.52Å; V221-A314 WeakPolarHBondContact O-CA 3.4Å; A222-A314 CarbonylContact O-C 3.39Å; Y231-A314 PolarHBondContact N-O 2.94Å; Y231-A314 PolarHBondContact O-N 3.4Å; I292-A314 HydrophobicContact CG2-CB 4.15Å; A314-N316 PolarHBondContact O-N 2.88Å; A314-N319 HydrophobicContact CB-CB 3.97Å; A314-F320 HydrophobicContact CB-CE1 4.02Å; A314-F320 HydrophobicContact CB-CE2 3.81Å; A314-F320 HydrophobicContact CB-CZ 3.49Å; A314-F320 VanDerWaalsContact CB-CZ 3.49Å
315	A	97.4	Very high	98.2	Very high	21 Å²	21	21 Å²	21	17%	0.174	11%	0.11	C	C	.	.	S	Bend	trans	-66.8	-17.9	174.4	0	0	0	0	0	113.6	V221 A222 I223 N224 Y231	V221-A315 PolarHBondContact O-N 2.99Å; A222-A315 PolarHBondContact O-N 3.11Å; I223-A315 VanDerWaalsContact O-CB 3.24Å; I223-A315 WeakPolarHBondContact O-CB 3.23Å; N224-A315 PolarHBondContact ND2-O 2.81Å; Y231-A315 WeakPolarHBondContact CD2-O 3.18Å; Y231-A315 WeakPolarHBondContact CE2-O 3.31Å
316	N	97.9	Very high	98.2	Very high	30 Å²	30	17.6 Å²	17.6	16%	0.16	9%	0.093	C	C	.	.	S	Bend	trans	-150.4	142.8	-178.7	-168.9	-73.4	0	0	0	111.6	E136 A314 N318 N319	E136-N316 PolarHBondContact OE1-ND2 3.28Å; E136-N316 PolarHBondContact OE2-ND2 2.95Å; A314-N316 PolarHBondContact O-N 2.88Å; N316-N318 PolarHBondContact O-N 3.18Å; N316-N318 WeakPolarHBondContact OD1-CB 3.43Å; N316-N318 VanDerWaalsContact OD1-CG 3.23Å; N316-N318 PolarHBondContact OD1-N 3.28Å; N316-N318 PolarHBondContact OD1-ND2 3.46Å; N316-N319 WeakPolarHBondContact O-CB 3.26Å; N316-N319 PolarHBondContact O-N 2.84Å
317	I	97.6	Very high	98.2	Very high	16 Å²	16	17.8 Å²	17.8	8%	0.082	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.2	178.9	56.4	150.2	0	0	0	114.1	F138 Y231 N319 F320 N321	F138-I317 HydrophobicContact CB-CG2 3.65Å; Y231-I317 HydrophobicContact CD1-CG2 3.52Å; Y231-I317 HydrophobicContact CE1-CG2 4.1Å; Y231-I317 HydrophobicContact CG-CG2 3.78Å; I317-N319 PolarHBondContact O-N 3.48Å; I317-F320 WeakPolarHBondContact O-CA 3.43Å; I317-F320 WeakPolarHBondContact O-CB 3.42Å; I317-F320 PolarHBondContact O-N 3.2Å; I317-N321 PolarHBondContact O-N 3.07Å
318	N	97.7	Very high	98.2	Very high	77 Å²	77	18 Å²	18	41%	0.412	9%	0.093	S	C	.	.	H	α-helix	trans	-61.3	-27.1	180	-71.1	-44.5	0	0	0	112.1	N316 F320 N321 F322	N316-N318 PolarHBondContact O-N 3.18Å; N316-N318 WeakPolarHBondContact OD1-CB 3.43Å; N316-N318 VanDerWaalsContact OD1-CG 3.23Å; N316-N318 PolarHBondContact OD1-N 3.28Å; N316-N318 PolarHBondContact OD1-ND2 3.46Å; N318-F320 VanDerWaalsContact C-N 3.25Å; N318-F320 PolarHBondContact O-N 3.33Å; N318-N321 PolarHBondContact O-N 2.7Å; N318-F322 WeakPolarHBondContact O-CB 3.44Å; N318-F322 PolarHBondContact O-N 2.84Å
319	N	98.1	Very high	98.1	Very high	22 Å²	22	17.7 Å²	17.7	12%	0.118	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-40.5	173.3	-62.2	25.5	0	0	0	110.5	F290 R291 I292 A314 N316 I317 M323	F290-N319 HydrophobicContact CB-CB 3.89Å; F290-N319 HydrophobicContact CD1-CB 4.46Å; F290-N319 VanDerWaalsContact CD1-OD1 3.3Å; F290-N319 WeakPolarHBondContact CD1-OD1 3.37Å; F290-N319 HydrophobicContact CG-CB 4.37Å; R291-N319 PolarHBondContact O-ND2 2.88Å; I292-N319 HydrophobicContact CG2-CB 4.07Å; A314-N319 HydrophobicContact CB-CB 3.97Å; N316-N319 WeakPolarHBondContact O-CB 3.26Å; N316-N319 PolarHBondContact O-N 2.84Å; I317-N319 PolarHBondContact O-N 3.48Å; N319-M323 WeakPolarHBondContact O-CG 3.31Å
320	F	98.5	Very high	98	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-77.6	-46.1	176.2	-55.1	-51.4	0	0	0	111.9	Y231 L233 I292 A312 A314 I317 N318 F322 M323 L324 Y350	Y231-F320 WeakPolarHBondContact O-CE2 3.4Å; L233-F320 HydrophobicContact CB-CD1 3.75Å; L233-F320 HydrophobicContact CB-CD2 3.95Å; L233-F320 HydrophobicContact CB-CE1 3.84Å; L233-F320 HydrophobicContact CB-CE2 4.02Å; L233-F320 HydrophobicContact CB-CG 3.81Å; L233-F320 HydrophobicContact CB-CZ 3.97Å; L233-F320 HydrophobicContact CD2-CB 4.12Å; L233-F320 HydrophobicContact CD2-CD1 3.9Å; L233-F320 HydrophobicContact CD2-CG 4.11Å; L233-F320 HydrophobicContact CG-CD1 4.5Å; I292-F320 HydrophobicContact CB-CE1 4.3Å; I292-F320 HydrophobicContact CG2-CD1 4Å; I292-F320 HydrophobicContact CG2-CE1 3.64Å; A312-F320 HydrophobicContact CB-CE1 3.84Å; A312-F320 HydrophobicContact CB-CZ 4.47Å; A312-F320 VanDerWaalsContact O-CZ 3.29Å; A312-F320 WeakPolarHBondContact O-CZ 3.34Å; A314-F320 HydrophobicContact CB-CE1 4.02Å; A314-F320 HydrophobicContact CB-CE2 3.81Å; A314-F320 HydrophobicContact CB-CZ 3.49Å; A314-F320 VanDerWaalsContact CB-CZ 3.49Å; I317-F320 WeakPolarHBondContact O-CA 3.43Å; I317-F320 WeakPolarHBondContact O-CB 3.42Å; I317-F320 PolarHBondContact O-N 3.2Å; N318-F320 VanDerWaalsContact C-N 3.25Å; N318-F320 PolarHBondContact O-N 3.33Å; F320-F322 VanDerWaalsContact C-N 3.27Å; F320-F322 PolarHBondContact O-N 2.82Å; F320-M323 PolarHBondContact O-N 2.88Å; F320-L324 WeakPolarHBondContact O-CG 3.27Å; F320-L324 PolarHBondContact O-N 3.12Å; F320-Y350 HydrophobicContact CB-CE1 3.57Å; F320-Y350 HydrophobicContact CD2-CD1 4.11Å; F320-Y350 AromaticContact CD2-CE1 3.77Å; F320-Y350 HydrophobicContact CD2-CE1 3.77Å; F320-Y350 AromaticContact CG-CE1 3.96Å; F320-Y350 HydrophobicContact CG-CE1 3.96Å
321	N	98.1	Very high	97.8	Very high	26 Å²	26	22.8 Å²	22.8	14%	0.139	12%	0.122	C	C	.	.	H	α-helix	trans	-53.2	-48.3	179.4	-73	-31.3	0	0	0	110.9	R143 I317 N318 M323 L324 D325 Y350	R143-N321 PolarHBondContact NH2-OD1 2.93Å; I317-N321 PolarHBondContact O-N 3.07Å; N318-N321 PolarHBondContact O-N 2.7Å; N321-M323 VanDerWaalsContact C-N 3.29Å; N321-M323 PolarHBondContact O-N 2.95Å; N321-L324 PolarHBondContact O-N 3.12Å; N321-D325 VanDerWaalsContact O-CB 3.3Å; N321-D325 WeakPolarHBondContact O-CB 3.31Å; N321-D325 PolarHBondContact O-N 2.73Å; N321-Y350 PolarHBondContact OD1-OH 3.4Å
322	F	97.7	Very high	97.6	Very high	36 Å²	36	32.3 Å²	32.3	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-52.2	-46.5	176	172.3	-98.3	0	0	0	112.9	K289 F290 N318 F320 R326	K289-F322 HydrophobicContact CB-CE1 4.35Å; K289-F322 HydrophobicContact CB-CZ 4.23Å; K289-F322 HydrophobicContact CD-CD2 4.17Å; K289-F322 HydrophobicContact CD-CE2 3.7Å; K289-F322 HydrophobicContact CD-CZ 3.96Å; F290-F322 HydrophobicContact CD2-CB 3.54Å; F290-F322 AromaticContact CD2-CD1 3.62Å; F290-F322 HydrophobicContact CD2-CD1 3.62Å; F290-F322 HydrophobicContact CD2-CD2 4.07Å; F290-F322 HydrophobicContact CD2-CE1 4.34Å; F290-F322 AromaticContact CD2-CG 3.44Å; F290-F322 HydrophobicContact CD2-CG 3.44Å; F290-F322 VanDerWaalsContact CD2-CG 3.44Å; F290-F322 HydrophobicContact CE2-CB 3.63Å; F290-F322 HydrophobicContact CE2-CD1 4.27Å; F290-F322 AromaticContact CE2-CD2 3.87Å; F290-F322 HydrophobicContact CE2-CD2 3.87Å; F290-F322 AromaticContact CE2-CG 3.64Å; F290-F322 HydrophobicContact CE2-CG 3.64Å; N318-F322 WeakPolarHBondContact O-CB 3.44Å; N318-F322 PolarHBondContact O-N 2.84Å; F320-F322 VanDerWaalsContact C-N 3.27Å; F320-F322 PolarHBondContact O-N 2.82Å; F322-R326 HydrophobicContact CE2-CG 4.48Å; F322-R326 WeakPolarHBondContact O-CB 3.1Å; F322-R326 VanDerWaalsContact O-CG 3.25Å; F322-R326 WeakPolarHBondContact O-CG 3.17Å; F322-R326 PolarHBondContact O-N 2.79Å
323	M	97.9	Very high	97.5	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-46.5	-178.8	-63.5	178.3	-168.3	0	0	111.1	V278 F290 I292 N319 F320 N321 R326 M327	V278-M323 HydrophobicContact CB-CG 4.29Å; V278-M323 HydrophobicContact CB-SD 4.32Å; F290-M323 HydrophobicContact CB-CE 4.4Å; F290-M323 WeakPolarHBondContact O-CE 3.39Å; I292-M323 HydrophobicContact CD1-CE 4.16Å; I292-M323 HydrophobicContact CD1-SD 3.81Å; I292-M323 HydrophobicContact CG1-CE 4.18Å; I292-M323 HydrophobicContact CG1-SD 4.49Å; I292-M323 HydrophobicContact CG2-CE 3.85Å; I292-M323 HydrophobicContact CG2-SD 4.35Å; N319-M323 WeakPolarHBondContact O-CG 3.31Å; F320-M323 PolarHBondContact O-N 2.88Å; N321-M323 VanDerWaalsContact C-N 3.29Å; N321-M323 PolarHBondContact O-N 2.95Å; M323-R326 PolarHBondContact O-N 3.03Å; M323-M327 VanDerWaalsContact O-CG 3.22Å; M323-M327 WeakPolarHBondContact O-CG 3.49Å; M323-M327 PolarHBondContact O-N 2.84Å
324	L	98.5	Very high	97.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-39.4	-176.1	-60.5	-179.8	0	0	0	113.1	Y140 L150 L233 F320 N321 R326 M327 T328 Y350	Y140-L324 HydrophobicContact CE2-CD1 3.96Å; L150-L324 HydrophobicContact CD1-CB 3.86Å; L150-L324 HydrophobicContact CD1-CD2 3.85Å; L150-L324 HydrophobicContact CD1-CG 4.3Å; L233-L324 HydrophobicContact CD1-CD1 4.29Å; L233-L324 HydrophobicContact CD2-CD1 4.03Å; L233-L324 HydrophobicContact CD2-CD2 3.94Å; L233-L324 HydrophobicContact CD2-CG 4.23Å; F320-L324 WeakPolarHBondContact O-CG 3.27Å; F320-L324 PolarHBondContact O-N 3.12Å; N321-L324 PolarHBondContact O-N 3.12Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-M327 HydrophobicContact CD2-SD 4.28Å; L324-M327 PolarHBondContact O-N 3.42Å; L324-T328 PolarHBondContact O-N 2.99Å; L324-T328 VanDerWaalsContact O-N 3.1Å; L324-T328 PolarHBondContact O-OG1 3.43Å; L324-Y350 HydrophobicContact CD1-CE1 4.37Å; L324-Y350 WeakPolarHBondContact CD1-OH 3.34Å
325	D	98	Very high	97.3	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-44.7	175.6	-60.9	-12.5	0	0	0	109.3	R143 N321 M327 T328 G329 D330 T331	R143-D325 IonicContact CZ-OD1 3.89Å; R143-D325 VanDerWaalsContact CZ-OD1 3.23Å; R143-D325 IonicContact NE-OD1 3.6Å; R143-D325 PolarHBondContact NE-OD1 2.54Å; R143-D325 IonicContact NH2-OD1 3.7Å; R143-D325 PolarHBondContact NH2-OD1 2.98Å; N321-D325 VanDerWaalsContact O-CB 3.3Å; N321-D325 WeakPolarHBondContact O-CB 3.31Å; N321-D325 PolarHBondContact O-N 2.73Å; D325-M327 VanDerWaalsContact C-N 3.34Å; D325-M327 PolarHBondContact O-N 3.46Å; D325-T328 PolarHBondContact O-N 2.97Å; D325-T328 PolarHBondContact O-OG1 3.05Å; D325-G329 PolarHBondContact O-N 2.88Å; D325-G329 VanDerWaalsContact O-N 3.12Å; D325-D330 HydrophobicContact CB-CB 4.43Å; D325-D330 PolarHBondContact O-N 2.89Å; D325-T331 HydrophobicContact CB-CG2 4.11Å
326	R	97.7	Very high	97.3	Very high	29 Å²	29	47.5 Å²	47.5	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-38.2	174.4	-73.6	-170.3	68.1	66	-3.3	112.2	R277 F322 M323 L324 T328 G329 T331 D333	R277-R326 HydrophobicContact CB-CB 4.49Å; R277-R326 PolarHBondContact NE-O 3.12Å; R277-R326 PolarHBondContact NH2-O 2.83Å; R277-R326 VanDerWaalsContact O-CD 3.32Å; R277-R326 WeakPolarHBondContact O-CD 3.48Å; R277-R326 PolarHBondContact O-NE 3.22Å; F322-R326 HydrophobicContact CE2-CG 4.48Å; F322-R326 WeakPolarHBondContact O-CB 3.1Å; F322-R326 VanDerWaalsContact O-CG 3.25Å; F322-R326 WeakPolarHBondContact O-CG 3.17Å; F322-R326 PolarHBondContact O-N 2.79Å; M323-R326 PolarHBondContact O-N 3.03Å; L324-R326 VanDerWaalsContact C-N 3.32Å; R326-T328 VanDerWaalsContact C-N 3.28Å; R326-T328 PolarHBondContact O-N 2.95Å; R326-G329 PolarHBondContact O-N 2.75Å; R326-T331 HydrophobicContact CG-CG2 3.64Å; R326-D333 IonicContact CZ-OD2 2.71Å; R326-D333 IonicContact NH1-OD1 3.61Å; R326-D333 IonicContact NH1-OD2 3.86Å; R326-D333 PolarHBondContact NH1-OD2 3.39Å; R326-D333 IonicContact NH2-OD2 2.96Å; R326-D333 PolarHBondContact NH2-OD2 3.07Å
327	M	98.3	Very high	97.3	Very high	13 Å²	13	46 Å²	46	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-179.7	-75.5	175	70.8	0	0	112.5	W237 M323 L324 D325 D337 V339 M340	W237-M327 HydrophobicContact CH2-CE 3.63Å; W237-M327 HydrophobicContact CZ2-CE 3.84Å; M323-M327 VanDerWaalsContact O-CG 3.22Å; M323-M327 WeakPolarHBondContact O-CG 3.49Å; M323-M327 PolarHBondContact O-N 2.84Å; L324-M327 HydrophobicContact CD2-SD 4.28Å; L324-M327 PolarHBondContact O-N 3.42Å; D325-M327 VanDerWaalsContact C-N 3.34Å; D325-M327 PolarHBondContact O-N 3.46Å; M327-D337 HydrophobicContact CB-CB 4.01Å; M327-D337 HydrophobicContact CG-CB 3.93Å; M327-D337 WeakPolarHBondContact CG-OD2 3.28Å; M327-D337 PolarHBondContact O-N 2.68Å; M327-V339 HydrophobicContact CE-CG1 3.88Å; M327-M340 HydrophobicContact CB-SD 4.2Å; M327-M340 HydrophobicContact CE-CG 4.37Å
328	T	98	Very high	97.4	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-89.7	-3.7	-177.3	50	0	0	0	0	114.4	R143 G145 L150 L324 D325 R326 D330 M340	R143-T328 HydrophobicContact CB-CG2 3.82Å; G145-T328 WeakPolarHBondContact CA-O 3.14Å; L150-T328 HydrophobicContact CD1-CG2 3.46Å; L150-T328 VanDerWaalsContact CD1-CG2 3.46Å; L150-T328 HydrophobicContact CG-CG2 3.58Å; L324-T328 PolarHBondContact O-N 2.99Å; L324-T328 VanDerWaalsContact O-N 3.1Å; L324-T328 PolarHBondContact O-OG1 3.43Å; D325-T328 PolarHBondContact O-N 2.97Å; D325-T328 PolarHBondContact O-OG1 3.05Å; R326-T328 VanDerWaalsContact C-N 3.28Å; R326-T328 PolarHBondContact O-N 2.95Å; T328-D330 VanDerWaalsContact C-N 3.3Å; T328-M340 HydrophobicContact CG2-CE 4.35Å; T328-M340 HydrophobicContact CG2-SD 4.44Å
329	G	97.3	Very high	97.4	Very high	4 Å²	4	43 Å²	43	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	19.9	-176.4	0	0	0	0	0	113.6	D325 R326 T331 R334 E335	D325-G329 PolarHBondContact O-N 2.88Å; D325-G329 VanDerWaalsContact O-N 3.12Å; R326-G329 PolarHBondContact O-N 2.75Å; G329-T331 PolarHBondContact O-N 2.83Å; G329-R334 PolarHBondContact O-NH1 2.74Å; G329-E335 WeakPolarHBondContact CA-O 3.16Å
330	D	95.9	Very high	97.4	Very high	99 Å²	99	42.1 Å²	42.1	53%	0.529	20%	0.201	S	C	.	.			trans	-82.3	41.7	172	-156.1	25.4	0	0	0	111.7	D325 T328 R334	D325-D330 HydrophobicContact CB-CB 4.43Å; D325-D330 PolarHBondContact O-N 2.89Å; T328-D330 VanDerWaalsContact C-N 3.3Å; D330-R334 IonicContact OD1-NH1 2.68Å
331	T	95.3	Very high	97.4	Very high	35 Å²	35	46.7 Å²	46.7	22%	0.215	22%	0.218	C	C	.	.	S	Bend	trans	-131.2	167	175.7	51	0	0	0	0	110.5	R277 D325 R326 G329 D333 R334	R277-T331 PolarHBondContact NH2-OG1 2.69Å; D325-T331 HydrophobicContact CB-CG2 4.11Å; R326-T331 HydrophobicContact CG-CG2 3.64Å; G329-T331 PolarHBondContact O-N 2.83Å; T331-D333 PolarHBondContact O-N 2.86Å; T331-D333 VanDerWaalsContact O-N 3.16Å; T331-D333 PolarHBondContact OG1-OD1 3.27Å; T331-R334 VanDerWaalsContact O-CD 3.27Å; T331-R334 WeakPolarHBondContact O-CD 3.28Å; T331-R334 PolarHBondContact O-N 3.24Å
332	E	94.6	Very high	97.4	Very high	200 Å²	200	45.5 Å²	45.5	94%	0.935	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.7	-175.6	-64.3	178.8	176.8	0	0	113.9	R334	E332-R334 VanDerWaalsContact C-N 3.27Å; E332-R334 PolarHBondContact O-N 3.05Å
333	D	95.5	Very high	97.4	Very high	54 Å²	54	44 Å²	44	29%	0.289	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.1	177.9	62.3	12.2	0	0	0	113.5	R277 R326 T331 E335	R277-D333 IonicContact CZ-OD1 2.84Å; R277-D333 IonicContact CZ-OD2 2.86Å; R277-D333 IonicContact NH1-OD1 2.97Å; R277-D333 IonicContact NH1-OD2 3.74Å; R277-D333 PolarHBondContact NH1-OD2 2.87Å; R277-D333 IonicContact NH2-OD1 2.79Å; R277-D333 PolarHBondContact NH2-OD1 3.12Å; R277-D333 VanDerWaalsContact NH2-OD1 3.13Å; R277-D333 IonicContact NH2-OD2 3.45Å; R326-D333 IonicContact CZ-OD2 2.71Å; R326-D333 IonicContact NH1-OD1 3.61Å; R326-D333 IonicContact NH1-OD2 3.86Å; R326-D333 PolarHBondContact NH1-OD2 3.39Å; R326-D333 IonicContact NH2-OD2 2.96Å; R326-D333 PolarHBondContact NH2-OD2 3.07Å; T331-D333 PolarHBondContact O-N 2.86Å; T331-D333 VanDerWaalsContact O-N 3.16Å; T331-D333 PolarHBondContact OG1-OD1 3.27Å; D333-E335 HydrophobicContact CB-CG 4.24Å; D333-E335 PolarHBondContact O-N 2.62Å; D333-E335 PolarHBondContact OD1-N 3.14Å
334	R	96.5	Very high	97.4	Very high	171 Å²	171	47.2 Å²	47.2	65%	0.645	22%	0.22	S	C	*	.			trans	56.1	15.2	-176.4	-52.8	-64.3	-74	175.1	-5	114.6	G329 D330 T331 E332	G329-R334 PolarHBondContact O-NH1 2.74Å; D330-R334 IonicContact OD1-NH1 2.68Å; T331-R334 VanDerWaalsContact O-CD 3.27Å; T331-R334 WeakPolarHBondContact O-CD 3.28Å; T331-R334 PolarHBondContact O-N 3.24Å; E332-R334 VanDerWaalsContact C-N 3.27Å; E332-R334 PolarHBondContact O-N 3.05Å
335	E	97.5	Very high	97.5	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	22%	0.224	S	C	.	.			trans	-84.1	143.1	178.8	-67.4	-63.3	172.9	0	0	110.3	I271 T272 R277 G329 D333	I271-E335 HydrophobicContact CG2-CG 3.98Å; T272-E335 HydrophobicContact CG2-CB 4.29Å; T272-E335 VanDerWaalsContact CG2-OE2 3.27Å; T272-E335 WeakPolarHBondContact CG2-OE2 3.33Å; R277-E335 PolarHBondContact NH2-O 3.32Å; G329-E335 WeakPolarHBondContact CA-O 3.16Å; D333-E335 HydrophobicContact CB-CG 4.24Å; D333-E335 PolarHBondContact O-N 2.62Å; D333-E335 PolarHBondContact OD1-N 3.14Å
336	M	97.3	Very high	97.5	Very high	39 Å²	39	48.4 Å²	48.4	19%	0.192	23%	0.23	C	C	.	.			trans	-106.7	163.3	-178.6	-67.3	170.2	-69	0	0	111.4	A146 F147 T272	A146-M336 HydrophobicContact CB-CE 3.59Å; A146-M336 HydrophobicContact CB-SD 3.52Å; A146-M336 VanDerWaalsContact CB-SD 3.52Å; A146-M336 PolarHBondContact N-SD 3.24Å; F147-M336 HydrophobicContact CD2-CB 3.89Å; F147-M336 HydrophobicContact CD2-CE 4.39Å; F147-M336 HydrophobicContact CD2-SD 4.26Å; F147-M336 HydrophobicContact CE2-CB 3.87Å; F147-M336 HydrophobicContact CE2-CE 4.02Å; F147-M336 HydrophobicContact CE2-SD 4.46Å; F147-M336 HydrophobicContact CZ-CE 4.16Å; T272-M336 WeakPolarHBondContact CA-O 3.17Å; T272-M336 WeakPolarHBondContact CB-O 3.13Å
337	D	98.5	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.			trans	-79.9	122.2	173.5	-160.4	-35.6	0	0	0	111.8	H274 R277 M327 V339 M340	H274-D337 WeakPolarHBondContact CA-OD1 3.27Å; H274-D337 WeakPolarHBondContact CA-OD2 3.46Å; H274-D337 WeakPolarHBondContact CB-OD1 3.35Å; H274-D337 IonicContact CE1-OD2 2.69Å; H274-D337 IonicContact CG-OD1 3.79Å; H274-D337 IonicContact CG-OD2 3.24Å; H274-D337 PolarHBondContact N-OD1 2.96Å; H274-D337 IonicContact ND1-OD1 3.92Å; H274-D337 IonicContact ND1-OD2 3.65Å; H274-D337 PolarHBondContact ND1-OD2 3.04Å; R277-D337 HydrophobicContact CB-CB 4.31Å; R277-D337 HydrophobicContact CG-CB 3.76Å; M327-D337 HydrophobicContact CB-CB 4.01Å; M327-D337 HydrophobicContact CG-CB 3.93Å; M327-D337 WeakPolarHBondContact CG-OD2 3.28Å; M327-D337 PolarHBondContact O-N 2.68Å; D337-V339 HydrophobicContact CB-CG1 4.11Å; D337-V339 VanDerWaalsContact CG-CG1 3.41Å; D337-V339 PolarHBondContact O-N 3.11Å; D337-V339 VanDerWaalsContact OD1-CB 3.31Å; D337-V339 WeakPolarHBondContact OD1-CB 3.26Å; D337-V339 VanDerWaalsContact OD1-CG1 3.26Å; D337-V339 WeakPolarHBondContact OD1-CG1 3.48Å; D337-V339 PolarHBondContact OD1-N 3.2Å; D337-M340 HydrophobicContact CB-CG 4.37Å; D337-M340 WeakPolarHBondContact O-CB 3.31Å; D337-M340 PolarHBondContact O-N 2.83Å; D337-M340 VanDerWaalsContact O-N 3.11Å
338	D	98.4	Very high	97.5	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-65.6	-17.4	176.6	-74.9	-30.5	0	0	0	113.2	W255 T272 M340 R341	W255-D338 HydrophobicContact CB-CB 3.7Å; W255-D338 HydrophobicContact CG-CB 3.82Å; T272-D338 VanDerWaalsContact CB-OD2 3.31Å; T272-D338 WeakPolarHBondContact CB-OD2 3.45Å; T272-D338 PolarHBondContact O-N 3.21Å; T272-D338 PolarHBondContact OG1-OD2 3.36Å; D338-M340 PolarHBondContact O-N 2.88Å; D338-R341 VanDerWaalsContact O-CB 3.23Å; D338-R341 WeakPolarHBondContact O-CB 3.27Å; D338-R341 VanDerWaalsContact O-CG 3.27Å; D338-R341 WeakPolarHBondContact O-CG 3.35Å; D338-R341 PolarHBondContact O-N 3.48Å; D338-R341 IonicContact OD1-CZ 2.84Å; D338-R341 IonicContact OD1-NE 3.24Å; D338-R341 PolarHBondContact OD1-NE 3.47Å; D338-R341 IonicContact OD1-NH2 2.71Å; D338-R341 PolarHBondContact OD1-NH2 3.06Å
339	V	98.2	Very high	97.6	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.6	171.2	80.8	0	0	0	0	111.6	I256 H274 M327 D337 R341 F342 S343	I256-V339 HydrophobicContact CD1-CB 4.36Å; I256-V339 HydrophobicContact CD1-CG2 3.91Å; H274-V339 HydrophobicContact CB-CB 4.12Å; M327-V339 HydrophobicContact CE-CG1 3.88Å; D337-V339 HydrophobicContact CB-CG1 4.11Å; D337-V339 VanDerWaalsContact CG-CG1 3.41Å; D337-V339 PolarHBondContact O-N 3.11Å; D337-V339 VanDerWaalsContact OD1-CB 3.31Å; D337-V339 WeakPolarHBondContact OD1-CB 3.26Å; D337-V339 VanDerWaalsContact OD1-CG1 3.26Å; D337-V339 WeakPolarHBondContact OD1-CG1 3.48Å; D337-V339 PolarHBondContact OD1-N 3.2Å; V339-R341 PolarHBondContact O-N 3.04Å; V339-F342 HydrophobicContact CB-CE1 4.47Å; V339-F342 HydrophobicContact CG2-CE1 3.91Å; V339-F342 HydrophobicContact CG2-CE2 4.48Å; V339-F342 HydrophobicContact CG2-CZ 3.66Å; V339-F342 PolarHBondContact O-N 3.39Å; V339-S343 WeakPolarHBondContact O-CB 3.44Å; V339-S343 PolarHBondContact O-N 3.17Å
340	M	98.4	Very high	97.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.02	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-73.3	-6.5	-179.3	-60.6	-176.8	64.9	0	0	112.9	F147 L150 W237 M327 T328 D337 D338 S343	F147-M340 HydrophobicContact CB-CB 3.71Å; F147-M340 HydrophobicContact CD2-CB 4.38Å; F147-M340 HydrophobicContact CG-CB 4.49Å; L150-M340 HydrophobicContact CD2-CE 4.13Å; W237-M340 HydrophobicContact CH2-CE 4.49Å; W237-M340 HydrophobicContact CH2-CG 4.09Å; W237-M340 HydrophobicContact CZ3-CG 4.03Å; M327-M340 HydrophobicContact CB-SD 4.2Å; M327-M340 HydrophobicContact CE-CG 4.37Å; T328-M340 HydrophobicContact CG2-CE 4.35Å; T328-M340 HydrophobicContact CG2-SD 4.44Å; D337-M340 HydrophobicContact CB-CG 4.37Å; D337-M340 WeakPolarHBondContact O-CB 3.31Å; D337-M340 PolarHBondContact O-N 2.83Å; D337-M340 VanDerWaalsContact O-N 3.11Å; D338-M340 PolarHBondContact O-N 2.88Å; M340-S343 WeakPolarHBondContact CA-O 3.23Å
341	R	97.8	Very high	97.8	Very high	98 Å²	98	43.2 Å²	43.2	37%	0.37	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-68.7	-35.8	174.1	-66.9	177.6	-178.2	-81.2	-3.4	112.6	F147 L243 D338 V339	F147-R341 HydrophobicContact CD1-CG 4.39Å; F147-R341 HydrophobicContact CD2-CG 4.29Å; F147-R341 HydrophobicContact CE1-CG 4.28Å; F147-R341 HydrophobicContact CE2-CG 4.16Å; F147-R341 HydrophobicContact CG-CG 4.43Å; F147-R341 HydrophobicContact CZ-CG 4.18Å; L243-R341 WeakPolarHBondContact CD2-O 3.41Å; D338-R341 VanDerWaalsContact O-CB 3.23Å; D338-R341 WeakPolarHBondContact O-CB 3.27Å; D338-R341 VanDerWaalsContact O-CG 3.27Å; D338-R341 WeakPolarHBondContact O-CG 3.35Å; D338-R341 PolarHBondContact O-N 3.48Å; D338-R341 IonicContact OD1-CZ 2.84Å; D338-R341 IonicContact OD1-NE 3.24Å; D338-R341 PolarHBondContact OD1-NE 3.47Å; D338-R341 IonicContact OD1-NH2 2.71Å; D338-R341 PolarHBondContact OD1-NH2 3.06Å; V339-R341 PolarHBondContact O-N 3.04Å
342	F	97.9	Very high	97.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-5	-177.3	72.3	-96.4	0	0	0	112.7	H239 D240 L243 L244 W255 I256 V339	H239-F342 CarbonylContact C-O 3.58Å; H239-F342 VanDerWaalsContact CA-O 3.29Å; H239-F342 WeakPolarHBondContact CA-O 3.44Å; D240-F342 PolarHBondContact N-O 3.12Å; L243-F342 HydrophobicContact CD2-CB 3.86Å; L243-F342 HydrophobicContact CG-CB 4.43Å; L244-F342 HydrophobicContact CD1-CD2 3.87Å; L244-F342 HydrophobicContact CD1-CE2 4.33Å; L244-F342 HydrophobicContact CD2-CB 4.27Å; L244-F342 HydrophobicContact CD2-CD1 4.3Å; L244-F342 HydrophobicContact CD2-CD2 3.59Å; L244-F342 HydrophobicContact CD2-CE2 3.95Å; L244-F342 HydrophobicContact CD2-CG 3.79Å; L244-F342 HydrophobicContact CD2-CZ 4.41Å; L244-F342 HydrophobicContact CG-CB 4.23Å; L244-F342 HydrophobicContact CG-CD2 3.83Å; L244-F342 HydrophobicContact CG-CG 4.16Å; W255-F342 AromaticContact CE3-CD1 3.69Å; W255-F342 HydrophobicContact CE3-CD1 3.69Å; W255-F342 HydrophobicContact CE3-CE1 4.23Å; W255-F342 HydrophobicContact CZ3-CB 4.39Å; W255-F342 AromaticContact CZ3-CD1 3.99Å; W255-F342 HydrophobicContact CZ3-CD1 3.99Å; I256-F342 HydrophobicContact CD1-CE1 4.01Å; I256-F342 HydrophobicContact CD1-CZ 4.03Å; V339-F342 HydrophobicContact CB-CE1 4.47Å; V339-F342 HydrophobicContact CG2-CE1 3.91Å; V339-F342 HydrophobicContact CG2-CE2 4.48Å; V339-F342 HydrophobicContact CG2-CZ 3.66Å; V339-F342 PolarHBondContact O-N 3.39Å
343	S	98.5	Very high	98.1	Very high	4 Å²	4	32 Å²	32	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.4	-177.1	-164	0	0	0	0	110.7	W237 I238 H239 V339 M340	W237-S343 WeakPolarHBondContact CB-OG 3.41Å; W237-S343 WeakPolarHBondContact CZ3-O 3.16Å; I238-S343 CarbonylContact O-C 3.49Å; I238-S343 WeakPolarHBondContact O-CA 3.37Å; H239-S343 PolarHBondContact CE1-OG 2.79Å; H239-S343 PolarHBondContact ND1-OG 3.13Å; V339-S343 WeakPolarHBondContact O-CB 3.44Å; V339-S343 PolarHBondContact O-N 3.17Å; M340-S343 WeakPolarHBondContact CA-O 3.23Å
344	H	98.3	Very high	98.2	Very high	84 Å²	84	29.5 Å²	29.5	39%	0.389	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	-174.3	-58.7	-59.2	0	0	0	111.3	W237 I238 V346	W237-H344 WeakPolarHBondContact CA-O 3.44Å; I238-H344 PolarHBondContact N-O 3.26Å; I238-H344 PolarHBondContact O-N 2.96Å; H344-V346 PolarHBondContact O-N 2.83Å
345	C	98.7	Very high	98.3	Very high	13 Å²	13	21.5 Å²	21.5	9%	0.088	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.7	176.8	-166.9	0	0	0	0	110.2	K149 L150 P151 K236 W237 T347	K149-C345 WeakPolarHBondContact O-CB 3.28Å; L150-C345 HydrophobicContact CD2-CB 3.71Å; P151-C345 WeakPolarHBondContact CD-O 3.23Å; K236-C345 CarbonylContact O-C 3.57Å; K236-C345 WeakPolarHBondContact O-CA 3.27Å; W237-C345 HydrophobicContact CD2-CB 3.86Å; W237-C345 HydrophobicContact CE3-CB 3.83Å; W237-C345 HydrophobicContact CH2-CB 3.74Å; W237-C345 HydrophobicContact CZ2-CB 3.75Å; W237-C345 HydrophobicContact CZ3-CB 3.78Å; C345-T347 PolarHBondContact SG-O 3.13Å
346	V	98.4	Very high	98.2	Very high	59 Å²	59	21.9 Å²	21.9	36%	0.358	11%	0.108	S	C	.	.			trans	-112.5	-18.2	179.8	-65.4	0	0	0	0	113.5	P151 K236 I238 H344	P151-V346 WeakPolarHBondContact CG-O 3.07Å; K236-V346 HydrophobicContact CB-CG2 3.91Å; K236-V346 HydrophobicContact CD-CG2 3.74Å; K236-V346 HydrophobicContact CG-CG2 3.75Å; K236-V346 WeakPolarHBondContact O-CG2 3.28Å; K236-V346 PolarHBondContact O-N 3.38Å; I238-V346 HydrophobicContact CD1-CB 4.36Å; I238-V346 HydrophobicContact CD1-CG1 3.56Å; I238-V346 HydrophobicContact CD1-CG2 3.93Å; I238-V346 HydrophobicContact CG1-CG1 4.19Å; I238-V346 HydrophobicContact CG1-CG2 4.06Å; H344-V346 PolarHBondContact O-N 2.83Å
347	T	98.6	Very high	98.1	Very high	25 Å²	25	23.1 Å²	23.1	15%	0.153	12%	0.12	C	C	.	.			trans	-132.5	154.5	170.1	71.6	0	0	0	0	111.3	T153 Q235 K236 C345	T153-T347 HydrophobicContact CG2-CG2 4.25Å; T153-T347 WeakPolarHBondContact OG1-CB 3.41Å; Q235-T347 VanDerWaalsContact CA-O 3.31Å; Q235-T347 WeakPolarHBondContact CA-O 3.37Å; Q235-T347 WeakPolarHBondContact CB-O 3.35Å; K236-T347 HydrophobicContact CB-CG2 4.06Å; K236-T347 WeakPolarHBondContact CB-OG1 3.11Å; K236-T347 HydrophobicContact CD-CG2 4.33Å; K236-T347 PolarHBondContact N-O 3.22Å; K236-T347 PolarHBondContact N-OG1 2.88Å; C345-T347 PolarHBondContact SG-O 3.13Å
348	G	98.4	Very high	97.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.125	C	C	.	.			trans	-164.3	127.8	178.5	0	0	0	0	0	112.1	P151 T153 V234	P151-G348 VanDerWaalsContact O-CA 3.27Å; P151-G348 WeakPolarHBondContact O-CA 3.43Å; P151-G348 PolarHBondContact O-N 3.35Å; T153-G348 PolarHBondContact N-O 3.27Å; T153-G348 PolarHBondContact OG1-N 3.27Å; T153-G348 PolarHBondContact OG1-O 3.38Å; V234-G348 WeakPolarHBondContact O-CA 3.37Å
349	N	98.7	Very high	97.8	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	154.5	171.6	-161.8	29.4	0	0	0	111.5	G154 V234 W351	G154-N349 VanDerWaalsContact C-ND2 3.35Å; G154-N349 PolarHBondContact O-ND2 2.82Å; V234-N349 PolarHBondContact N-O 3.34Å; V234-N349 VanDerWaalsContact N-O 3.13Å; V234-N349 PolarHBondContact O-N 2.81Å; V234-N349 VanDerWaalsContact O-N 3.16Å; N349-W351 HydrophobicContact CB-CZ2 4.15Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.29Å
350	Y	98.8	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146.2	163.2	-67.1	-43	0	0	0	110.1	F138 Y140 G232 L233 F320 N321 L324	F138-Y350 WeakPolarHBondContact O-CB 3.35Å; Y140-Y350 AromaticContact CD2-CD1 3.98Å; Y140-Y350 HydrophobicContact CD2-CD1 3.98Å; Y140-Y350 AromaticContact CD2-CD2 3.9Å; Y140-Y350 HydrophobicContact CD2-CD2 3.9Å; Y140-Y350 AromaticContact CD2-CE1 3.97Å; Y140-Y350 HydrophobicContact CD2-CE1 3.97Å; Y140-Y350 AromaticContact CD2-CE2 3.89Å; Y140-Y350 HydrophobicContact CD2-CE2 3.89Å; Y140-Y350 AromaticContact CD2-CG 3.92Å; Y140-Y350 HydrophobicContact CD2-CG 3.92Å; Y140-Y350 AromaticContact CD2-CZ 3.9Å; Y140-Y350 HydrophobicContact CE2-CE1 4.37Å; Y140-Y350 HydrophobicContact CG-CD2 4.29Å; Y140-Y350 HydrophobicContact CG-CE2 4.43Å; G232-Y350 CarbonylContact O-C 3.57Å; G232-Y350 WeakPolarHBondContact O-CA 3.32Å; L233-Y350 HydrophobicContact CB-CD1 4.1Å; L233-Y350 HydrophobicContact CB-CE1 4.07Å; L233-Y350 HydrophobicContact CD1-CD1 3.95Å; L233-Y350 HydrophobicContact CD1-CE1 3.74Å; L233-Y350 HydrophobicContact CG-CE1 4.31Å; F320-Y350 HydrophobicContact CB-CE1 3.57Å; F320-Y350 HydrophobicContact CD2-CD1 4.11Å; F320-Y350 AromaticContact CD2-CE1 3.77Å; F320-Y350 HydrophobicContact CD2-CE1 3.77Å; F320-Y350 AromaticContact CG-CE1 3.96Å; F320-Y350 HydrophobicContact CG-CE1 3.96Å; N321-Y350 PolarHBondContact OD1-OH 3.4Å; L324-Y350 HydrophobicContact CD1-CE1 4.37Å; L324-Y350 WeakPolarHBondContact CD1-OH 3.34Å
351	W	98.8	Very high	97.4	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.2	-178.4	-58.5	90	0	0	0	108.7	T75 G119 F158 Y231 G232 V234 N349 F353	T75-W351 HydrophobicContact CG2-CH2 3.85Å; T75-W351 HydrophobicContact CG2-CZ2 3.93Å; G119-W351 VanDerWaalsContact N-CE3 3.34Å; F158-W351 HydrophobicContact CB-CD2 3.53Å; F158-W351 HydrophobicContact CB-CE3 3.31Å; F158-W351 HydrophobicContact CB-CG 4.36Å; F158-W351 HydrophobicContact CB-CH2 3.59Å; F158-W351 HydrophobicContact CB-CZ2 3.78Å; F158-W351 HydrophobicContact CB-CZ3 3.36Å; F158-W351 HydrophobicContact CD1-CD2 4.47Å; F158-W351 HydrophobicContact CD2-CZ2 4.2Å; F158-W351 HydrophobicContact CG-CD2 4.08Å; F158-W351 AromaticContact CG-CE2 4Å; F158-W351 HydrophobicContact CG-CE3 4.33Å; F158-W351 HydrophobicContact CG-CH2 4.45Å; F158-W351 HydrophobicContact CG-CZ2 4.2Å; Y231-W351 CarbonylContact C-O 3.6Å; Y231-W351 WeakPolarHBondContact CA-O 3.35Å; G232-W351 PolarHBondContact N-O 3.31Å; G232-W351 PolarHBondContact O-N 2.7Å; V234-W351 VanDerWaalsContact CG2-CD1 3.46Å; V234-W351 HydrophobicContact CG2-CG 4.46Å; N349-W351 HydrophobicContact CB-CZ2 4.15Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.29Å; W351-F353 HydrophobicContact CB-CD2 4.18Å; W351-F353 HydrophobicContact CB-CE2 3.74Å
352	Y	98.8	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.8	166.3	-179.3	-104.9	0	0	0	108.9	G117 F118 F123 I135 F138 T227 Y231 P354 E358	G117-Y352 CarbonylContact C-O 3.45Å; G117-Y352 VanDerWaalsContact CA-O 3.22Å; G117-Y352 WeakPolarHBondContact CA-O 3.42Å; F118-Y352 PolarHBondContact N-O 3.18Å; F118-Y352 PolarHBondContact O-N 3.44Å; F123-Y352 HydrophobicContact CD2-CD1 4.22Å; F123-Y352 HydrophobicContact CE1-CD1 4.27Å; F123-Y352 AromaticContact CE2-CD1 3.61Å; F123-Y352 HydrophobicContact CE2-CD1 3.61Å; F123-Y352 HydrophobicContact CE2-CE1 4.07Å; F123-Y352 AromaticContact CZ-CD1 3.64Å; F123-Y352 HydrophobicContact CZ-CD1 3.64Å; F123-Y352 AromaticContact CZ-CE1 3.84Å; F123-Y352 HydrophobicContact CZ-CE1 3.84Å; I135-Y352 HydrophobicContact CD1-CD1 4.42Å; I135-Y352 HydrophobicContact CD1-CE1 3.7Å; I135-Y352 HydrophobicContact CD1-CE2 4.46Å; I135-Y352 HydrophobicContact CG1-CE1 4.41Å; I135-Y352 HydrophobicContact CG1-CE2 4.32Å; I135-Y352 HydrophobicContact CG2-CD2 4.4Å; I135-Y352 HydrophobicContact CG2-CE2 4.39Å; F138-Y352 HydrophobicContact CE1-CG 4.33Å; F138-Y352 HydrophobicContact CZ-CG 4.46Å; T227-Y352 WeakPolarHBondContact CB-OH 3.33Å; T227-Y352 PolarHBondContact OG1-OH 3.16Å; Y231-Y352 HydrophobicContact CD1-CD2 4.04Å; Y231-Y352 AromaticContact CE1-CD2 3.87Å; Y231-Y352 HydrophobicContact CE1-CD2 3.87Å; Y231-Y352 HydrophobicContact CE1-CE2 4.49Å; Y352-P354 HydrophobicContact CD1-CG 3.98Å; Y352-P354 HydrophobicContact CE1-CB 4.06Å; Y352-P354 HydrophobicContact CE1-CG 3.9Å; Y352-P354 WeakPolarHBondContact O-CD 3.43Å; Y352-E358 VanDerWaalsContact CE1-OE2 3.26Å; Y352-E358 WeakPolarHBondContact CE1-OE2 3.45Å; Y352-E358 PolarHBondContact OH-OE2 3.26Å
353	F	98.7	Very high	97.1	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	102.6	173.8	-71.4	-103.8	0	0	0	107.7	V63 F158 H160 G229 S230 I311 Y313 W351	V63-F353 HydrophobicContact CG2-CB 4.22Å; V63-F353 HydrophobicContact CG2-CD1 4.48Å; F158-F353 HydrophobicContact CD1-CE1 4.39Å; F158-F353 HydrophobicContact CD1-CE2 4.44Å; F158-F353 AromaticContact CD1-CZ 3.64Å; F158-F353 HydrophobicContact CD1-CZ 3.64Å; F158-F353 AromaticContact CE1-CZ 3.96Å; F158-F353 HydrophobicContact CE1-CZ 3.96Å; H160-F353 HydrophobicContact CB-CE1 4.35Å; H160-F353 HydrophobicContact CB-CZ 4.46Å; G229-F353 CarbonylContact C-O 3.55Å; G229-F353 WeakPolarHBondContact CA-O 3.34Å; S230-F353 PolarHBondContact N-O 3.47Å; S230-F353 PolarHBondContact O-N 2.76Å; I311-F353 HydrophobicContact CD1-CZ 4.46Å; Y313-F353 HydrophobicContact CD1-CD2 4.26Å; Y313-F353 HydrophobicContact CD1-CE2 4.41Å; Y313-F353 HydrophobicContact CE1-CD1 4.11Å; Y313-F353 AromaticContact CE1-CD2 3.65Å; Y313-F353 HydrophobicContact CE1-CD2 3.65Å; Y313-F353 HydrophobicContact CE1-CE1 4.02Å; Y313-F353 AromaticContact CE1-CE2 3.56Å; Y313-F353 HydrophobicContact CE1-CE2 3.56Å; Y313-F353 AromaticContact CE1-CG 3.91Å; Y313-F353 HydrophobicContact CE1-CG 3.91Å; Y313-F353 AromaticContact CE1-CZ 3.73Å; Y313-F353 HydrophobicContact CE1-CZ 3.73Å; W351-F353 HydrophobicContact CB-CD2 4.18Å; W351-F353 HydrophobicContact CB-CE2 3.74Å
354	P	98	Very high	96.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.171	C	C	.	.			trans	-59.3	161.1	178.9	-23.4	34.3	0	0	0	112.3	Q60 V116 F118 Y352 E358 F359 L362	Q60-P354 WeakPolarHBondContact CG-O 3.36Å; Q60-P354 PolarHBondContact NE2-O 3.43Å; V116-P354 WeakPolarHBondContact O-CD 3.26Å; F118-P354 HydrophobicContact CD2-CG 3.96Å; F118-P354 HydrophobicContact CE2-CG 3.94Å; Y352-P354 HydrophobicContact CD1-CG 3.98Å; Y352-P354 HydrophobicContact CE1-CB 4.06Å; Y352-P354 HydrophobicContact CE1-CG 3.9Å; Y352-P354 WeakPolarHBondContact O-CD 3.43Å; P354-E358 WeakPolarHBondContact CA-OE2 3.39Å; P354-E358 HydrophobicContact CB-CB 3.81Å; P354-E358 HydrophobicContact CB-CG 3.82Å; P354-E358 WeakPolarHBondContact CB-OE2 3.49Å; P354-F359 HydrophobicContact CB-CB 4.13Å; P354-L362 HydrophobicContact CB-CD1 4.16Å; P354-L362 HydrophobicContact CG-CD1 3.64Å
355	S	97.2	Very high	94.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-61.3	161.9	162.4	62.4	0	0	0	0	110.3	T58 G228 S357 E358 F359	T58-S355 CarbonylContact O-C 3.45Å; T58-S355 WeakPolarHBondContact O-CA 3.45Å; T58-S355 WeakPolarHBondContact O-CB 3.43Å; G228-S355 WeakPolarHBondContact O-CB 3.15Å; S355-S357 PolarHBondContact O-N 3.36Å; S355-S357 PolarHBondContact OG-OG 3.11Å; S355-S357 VanDerWaalsContact OG-OG 3.09Å; S355-E358 PolarHBondContact O-N 3.32Å; S355-E358 VanDerWaalsContact O-N 3.13Å; S355-E358 VanDerWaalsContact OG-CB 3.3Å; S355-E358 WeakPolarHBondContact OG-CB 3.4Å; S355-E358 PolarHBondContact OG-N 2.99Å; S355-F359 WeakPolarHBondContact O-CB 3.31Å; S355-F359 PolarHBondContact O-N 3.07Å
356	E	95.9	Very high	91.8	Very high	85 Å²	85	38.8 Å²	38.8	40%	0.397	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-40.3	176.9	-69	-174.8	162.3	0	0	112	T58 Q60 N360	T58-E356 HydrophobicContact CG2-CG 4.45Å; T58-E356 PolarHBondContact O-N 3.1Å; Q60-E356 HydrophobicContact CG-CG 4.32Å; E356-N360 WeakPolarHBondContact O-CB 3.34Å; E356-N360 VanDerWaalsContact O-CG 3.25Å; E356-N360 PolarHBondContact O-N 2.72Å; E356-N360 PolarHBondContact O-ND2 2.91Å
357	S	94.5	Very high	89.2	Confident	64 Å²	64	43 Å²	43	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-43.6	175.3	44.2	0	0	0	0	112.2	S355 N360 D361	S355-S357 PolarHBondContact O-N 3.36Å; S355-S357 PolarHBondContact OG-OG 3.11Å; S355-S357 VanDerWaalsContact OG-OG 3.09Å; S357-N360 PolarHBondContact O-N 2.66Å; S357-D361 PolarHBondContact O-N 3.22Å; S357-D361 VanDerWaalsContact O-N 3.09Å
358	E	95.3	Very high	86.2	Confident	23 Å²	23	49 Å²	49	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-42.5	179.2	-175.6	-175.8	-164.4	0	0	111.4	I135 Y352 P354 S355 N360 D361 L362	I135-E358 VanDerWaalsContact CD1-OE1 3.26Å; I135-E358 WeakPolarHBondContact CD1-OE1 3.26Å; Y352-E358 VanDerWaalsContact CE1-OE2 3.26Å; Y352-E358 WeakPolarHBondContact CE1-OE2 3.45Å; Y352-E358 PolarHBondContact OH-OE2 3.26Å; P354-E358 WeakPolarHBondContact CA-OE2 3.39Å; P354-E358 HydrophobicContact CB-CB 3.81Å; P354-E358 HydrophobicContact CB-CG 3.82Å; P354-E358 WeakPolarHBondContact CB-OE2 3.49Å; S355-E358 PolarHBondContact O-N 3.32Å; S355-E358 VanDerWaalsContact O-N 3.13Å; S355-E358 VanDerWaalsContact OG-CB 3.3Å; S355-E358 WeakPolarHBondContact OG-CB 3.4Å; S355-E358 PolarHBondContact OG-N 2.99Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 2.85Å; E358-D361 PolarHBondContact O-N 3.16Å; E358-D361 VanDerWaalsContact O-N 3.15Å; E358-L362 HydrophobicContact CG-CD1 4.05Å; E358-L362 HydrophobicContact CG-CG 4.41Å; E358-L362 VanDerWaalsContact O-CG 3.29Å; E358-L362 WeakPolarHBondContact O-CG 3.27Å; E358-L362 PolarHBondContact O-N 3.18Å
359	F	96.5	Very high	83.3	Confident	11 Å²	11	57.4 Å²	57.4	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-47.9	174.8	176	-106.3	0	0	0	110.9	I91 I94 V116 F118 P354 S355 D361 L362 V363	I91-F359 HydrophobicContact CG2-CE2 4.13Å; I91-F359 HydrophobicContact CG2-CZ 4.11Å; I94-F359 HydrophobicContact CG2-CE1 4.32Å; I94-F359 HydrophobicContact CG2-CZ 4.22Å; V116-F359 HydrophobicContact CB-CD2 4.23Å; V116-F359 HydrophobicContact CB-CE2 3.65Å; V116-F359 HydrophobicContact CB-CZ 4.21Å; V116-F359 HydrophobicContact CG1-CE2 3.84Å; V116-F359 HydrophobicContact CG2-CE2 3.95Å; V116-F359 HydrophobicContact CG2-CZ 3.98Å; F118-F359 HydrophobicContact CE2-CD2 4.15Å; F118-F359 HydrophobicContact CE2-CE2 4.43Å; F118-F359 HydrophobicContact CZ-CD2 4.21Å; F118-F359 HydrophobicContact CZ-CE2 4.05Å; P354-F359 HydrophobicContact CB-CB 4.13Å; S355-F359 WeakPolarHBondContact O-CB 3.31Å; S355-F359 PolarHBondContact O-N 3.07Å; F359-D361 VanDerWaalsContact C-N 3.29Å; F359-D361 PolarHBondContact O-N 3.24Å; F359-L362 PolarHBondContact O-N 3.29Å; F359-L362 VanDerWaalsContact O-N 3.12Å; F359-V363 HydrophobicContact CD2-CG1 4.09Å; F359-V363 HydrophobicContact CE1-CG1 4.26Å; F359-V363 HydrophobicContact CE1-CG2 4.37Å; F359-V363 HydrophobicContact CE2-CG1 3.63Å; F359-V363 HydrophobicContact CZ-CG1 3.73Å; F359-V363 WeakPolarHBondContact O-CG2 3.46Å; F359-V363 PolarHBondContact O-N 2.95Å
360	N	94.6	Very high	80.9	Confident	67 Å²	67	66.3 Å²	66.3	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-58.5	-40.4	176.5	-80.7	-45.5	0	0	0	112.4	E356 S357 E358 K364	E356-N360 WeakPolarHBondContact O-CB 3.34Å; E356-N360 VanDerWaalsContact O-CG 3.25Å; E356-N360 PolarHBondContact O-N 2.72Å; E356-N360 PolarHBondContact O-ND2 2.91Å; S357-N360 PolarHBondContact O-N 2.66Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 2.85Å; N360-K364 VanDerWaalsContact O-CB 3.23Å; N360-K364 WeakPolarHBondContact O-CB 3.02Å; N360-K364 WeakPolarHBondContact O-CD 3.23Å; N360-K364 WeakPolarHBondContact O-CG 3.26Å; N360-K364 PolarHBondContact O-N 3.09Å; N360-K364 VanDerWaalsContact O-N 3.1Å
361	D	93.4	Very high	80	Confident	74 Å²	74	69.6 Å²	69.6	40%	0.396	36%	0.361	S	S	.	.	H	α-helix	trans	-67.9	-36.3	176.2	-91.1	13.9	0	0	0	112.8	S357 E358 F359 R367	S357-D361 PolarHBondContact O-N 3.22Å; S357-D361 VanDerWaalsContact O-N 3.09Å; E358-D361 PolarHBondContact O-N 3.16Å; E358-D361 VanDerWaalsContact O-N 3.15Å; F359-D361 VanDerWaalsContact C-N 3.29Å; F359-D361 PolarHBondContact O-N 3.24Å; D361-R367 VanDerWaalsContact CG-NH2 3.28Å; D361-R367 IonicContact OD1-NH2 3.82Å; D361-R367 IonicContact OD2-CZ 2.94Å; D361-R367 IonicContact OD2-NH2 3.86Å; D361-R367 PolarHBondContact OD2-NH2 2.76Å
362	L	94.7	Very high	79	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-71.8	-28.2	177.9	-71.2	168.8	0	0	0	113.3	F118 F123 I126 P354 E358 F359 V365	F118-L362 HydrophobicContact CE2-CD1 4.17Å; F123-L362 HydrophobicContact CE2-CD1 3.99Å; I126-L362 HydrophobicContact CD1-CD1 4.45Å; I126-L362 HydrophobicContact CD1-CD2 4.3Å; I126-L362 HydrophobicContact CG1-CD2 4.29Å; P354-L362 HydrophobicContact CB-CD1 4.16Å; P354-L362 HydrophobicContact CG-CD1 3.64Å; E358-L362 HydrophobicContact CG-CD1 4.05Å; E358-L362 HydrophobicContact CG-CG 4.41Å; E358-L362 VanDerWaalsContact O-CG 3.29Å; E358-L362 WeakPolarHBondContact O-CG 3.27Å; E358-L362 PolarHBondContact O-N 3.18Å; F359-L362 PolarHBondContact O-N 3.29Å; F359-L362 VanDerWaalsContact O-N 3.12Å; L362-V365 WeakPolarHBondContact O-CG2 3.33Å
363	V	93.7	Very high	77.9	Confident	14 Å²	14	77.1 Å²	77.1	9%	0.085	40%	0.401	C	S	.	.	H	α-helix	trans	-98.7	-17.6	-178.4	-57.5	0	0	0	0	114	L88 F359 V365	L88-V363 HydrophobicContact CD2-CG1 4.49Å; F359-V363 HydrophobicContact CD2-CG1 4.09Å; F359-V363 HydrophobicContact CE1-CG1 4.26Å; F359-V363 HydrophobicContact CE1-CG2 4.37Å; F359-V363 HydrophobicContact CE2-CG1 3.63Å; F359-V363 HydrophobicContact CZ-CG1 3.73Å; F359-V363 WeakPolarHBondContact O-CG2 3.46Å; F359-V363 PolarHBondContact O-N 2.95Å; V363-V365 PolarHBondContact O-N 3.31Å
364	K	82.5	Confident	76.7	Confident	141 Å²	141	81.6 Å²	81.6	61%	0.613	42%	0.424	S	S	*	.			trans	-75	24.2	176	-79.8	174	-174.3	173.3	0	113.9	N360 D366	N360-K364 VanDerWaalsContact O-CB 3.23Å; N360-K364 WeakPolarHBondContact O-CB 3.02Å; N360-K364 WeakPolarHBondContact O-CD 3.23Å; N360-K364 WeakPolarHBondContact O-CG 3.26Å; N360-K364 PolarHBondContact O-N 3.09Å; N360-K364 VanDerWaalsContact O-N 3.1Å; K364-D366 VanDerWaalsContact C-N 3.29Å; K364-D366 PolarHBondContact O-N 3.38Å
365	V	55.1	Low	75.3	Confident	54 Å²	54	86.6 Å²	86.6	33%	0.327	45%	0.45	S	S	.	.			trans	-67.5	85.4	-168.1	-170.8	0	0	0	0	112.1	L88 L362 V363 R367	L88-V365 HydrophobicContact CD1-CG2 4.28Å; L362-V365 WeakPolarHBondContact O-CG2 3.33Å; V363-V365 PolarHBondContact O-N 3.31Å; V365-R367 VanDerWaalsContact C-N 3.27Å; V365-R367 HydrophobicContact CG1-CB 4.33Å
366	D	47.3	Very low	73.9	Confident	169 Å²	169	92.3 Å²	92.3	90%	0.904	48%	0.479	S	S	*	.			trans	-92.6	12.9	136.3	-83.3	-26.5	0	0	0	110	K364 L368	K364-D366 VanDerWaalsContact C-N 3.29Å; K364-D366 PolarHBondContact O-N 3.38Å; D366-L368 PolarHBondContact O-N 2.95Å; D366-L368 VanDerWaalsContact O-N 3.14Å
367	R	43.1	Very low	72.3	Confident	147 Å²	147	92.8 Å²	92.8	56%	0.555	49%	0.485	S	S	*	.			trans	-81.7	89.4	175.4	-68	-167.6	-170	-178.2	11.2	110.8	D361 V365	D361-R367 VanDerWaalsContact CG-NH2 3.28Å; D361-R367 IonicContact OD1-NH2 3.82Å; D361-R367 IonicContact OD2-CZ 2.94Å; D361-R367 IonicContact OD2-NH2 3.86Å; D361-R367 PolarHBondContact OD2-NH2 2.76Å; V365-R367 VanDerWaalsContact C-N 3.27Å; V365-R367 HydrophobicContact CG1-CB 4.33Å
368	L	36.5	Very low	70.6	Confident	153 Å²	153	95 Å²	95	80%	0.801	49%	0.488	S	S	*	.			trans	68.5	140.6	144.8	-57.9	167.3	0	0	0	117.4	D366	D366-L368 PolarHBondContact O-N 2.95Å; D366-L368 VanDerWaalsContact O-N 3.14Å
369	E	38.1	Very low	68.6	Low	177 Å²	177	101 Å²	101	83%	0.827	52%	0.519	S	S	*	.			cis	-135.5	160.2	28	-78.8	-174.3	155.8	0	0	112.9
370	P	47.2	Very low	66	Low	196 Å²	196	109.2 Å²	109.2	100%	1.273	56%	0.562	S	S	*	*			trans	-69.8	0	-178	23.6	-23.3	0	0	0	115.1

Retrieved 370 of 370 residues in 218.3 ms (Link to these results)

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