G4V841_SCHMA Loading...

Putative DNAj (Hsp40) homolog, subfamily B, member

AlphaFold DB , UniProt , Accession G4V841, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 368 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	42.8	Very low	52.3	Low	237 Å²	237	123.7 Å²	123.7	100%	1.167	70%	0.696	S	S	*	*				0	89	0	-71.7	150.6	81.4	0	0	108.3
2	N	50.5	Low	52	Low	154 Å²	154	126.7 Å²	126.7	82%	0.824	70%	0.696	S	S	*	*			trans	-133.2	37.7	-178.9	-98.5	-11.3	0	0	0	111.6
3	L	51.4	Low	51.8	Low	168 Å²	168	131.6 Å²	131.6	88%	0.88	71%	0.707	S	S	*	*			trans	-92.2	1.2	174.7	-91.8	93.5	0	0	0	113.8
4	G	52.7	Low	51.5	Low	54 Å²	54	133.2 Å²	133.2	56%	0.557	71%	0.714	S	S	*	*	S	Bend	trans	-85	-18.2	-175	0	0	0	0	0	116.1
5	L	56.4	Low	51.3	Low	137 Å²	137	129.5 Å²	129.5	72%	0.717	70%	0.703	S	S	*	*	H	α-helix	trans	-89.5	-20.4	-168.6	-143.3	72.6	0	0	0	114.3
6	H	53.6	Low	51.2	Low	150 Å²	150	126.6 Å²	126.6	69%	0.694	70%	0.695	S	S	*	*	H	α-helix	trans	-89.3	-16.8	-179.2	-68.7	-74.5	0	0	0	114.2	T9	H6-T9 PolarHBondContact O-OG1 3.33Å
7	A	55.6	Low	51.1	Low	69 Å²	69	128.8 Å²	128.8	57%	0.57	70%	0.704	S	S	*	*	H	α-helix	trans	-77	-32.9	177	0	0	0	0	0	112.2	S11	A7-S11 PolarHBondContact O-N 3.47Å
8	L	53.9	Low	51	Low	110 Å²	110	128.9 Å²	128.9	58%	0.576	70%	0.702	S	S	*	*	H	α-helix	trans	-71.1	-38.7	178.4	-91.2	155.9	0	0	0	112.1	S11 F12	L8-S11 PolarHBondContact O-N 3.09Å; L8-S11 PolarHBondContact O-OG 3.35Å; L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.31Å
9	T	53.8	Low	51	Low	78 Å²	78	127.6 Å²	127.6	48%	0.479	70%	0.699	S	S	.	*	H	α-helix	trans	-70.9	-31.7	179.2	53.6	0	0	0	0	112.9	H6 F12 F13	H6-T9 PolarHBondContact O-OG1 3.33Å; T9-F12 PolarHBondContact O-N 3.43Å; T9-F13 WeakPolarHBondContact O-CD2 3.05Å
10	L	52.7	Low	51.2	Low	134 Å²	134	132.1 Å²	132.1	70%	0.702	71%	0.707	S	S	*	*	H	α-helix	trans	-73.4	-28	176.8	-140.8	85.6	0	0	0	112.8	F12	L10-F12 VanDerWaalsContact C-N 3.35Å
11	S	52.3	Low	51.7	Low	70 Å²	70	130.9 Å²	130.9	49%	0.49	71%	0.707	S	S	.	*	H	α-helix	trans	-74.2	-23.8	176.5	77.2	0	0	0	0	113.7	A7 L8	A7-S11 PolarHBondContact O-N 3.47Å; L8-S11 PolarHBondContact O-N 3.09Å; L8-S11 PolarHBondContact O-OG 3.35Å
12	F	48.2	Very low	53.1	Low	159 Å²	159	121.6 Å²	121.6	70%	0.697	67%	0.672	S	S	*	*	H	α-helix	trans	-82	-14.9	178.2	-96.7	-84	0	0	0	114.1	L8 T9 L10	L8-F12 WeakPolarHBondContact O-CD2 3.38Å; L8-F12 PolarHBondContact O-N 3.31Å; T9-F12 PolarHBondContact O-N 3.43Å; L10-F12 VanDerWaalsContact C-N 3.35Å
13	F	49.1	Very low	54.6	Low	191 Å²	191	117.7 Å²	117.7	84%	0.838	65%	0.646	S	S	*	*	S	Bend	trans	-90.7	-11.7	177.5	-89.2	-80.3	0	0	0	114.1	T9	T9-F13 WeakPolarHBondContact O-CD2 3.05Å
14	L	48.5	Very low	56.5	Low	154 Å²	154	112 Å²	112	81%	0.806	62%	0.616	S	S	*	*	S	Bend	trans	-105.7	-3.4	-177.9	-119.6	112	0	0	0	114.7	S16	L14-S16 PolarHBondContact O-N 3.43Å
15	S	47.4	Very low	58.5	Low	78 Å²	78	109.4 Å²	109.4	55%	0.545	59%	0.59	S	S	.	*	S	Bend	trans	-79.9	79.6	167.9	61.9	0	0	0	0	109.9
16	S	50.3	Low	60.3	Low	83 Å²	83	103 Å²	103	58%	0.58	56%	0.556	S	S	*	*			trans	44.1	94.9	138.9	57.7	0	0	0	0	116	L14 L18	L14-S16 PolarHBondContact O-N 3.43Å; S16-L18 PolarHBondContact O-N 3.35Å
17	I	48.8	Very low	62.2	Low	164 Å²	164	98.7 Å²	98.7	84%	0.841	55%	0.546	S	S	*	.			trans	-62.2	80.2	147.6	-55.7	172.7	0	0	0	106.6	V19	I17-V19 HydrophobicContact CG2-CG2 3.51Å; I17-V19 PolarHBondContact O-N 3.35Å; I17-V19 VanDerWaalsContact O-N 3.09Å
18	L	49.7	Very low	64	Low	130 Å²	130	97.3 Å²	97.3	68%	0.681	53%	0.529	S	S	*	.			trans	-74.8	87.6	157.8	-90.2	159.5	0	0	0	105.1	S16 Y20	S16-L18 PolarHBondContact O-N 3.35Å; L18-Y20 VanDerWaalsContact C-N 3.27Å; L18-Y20 PolarHBondContact O-N 3Å
19	V	51.5	Low	65.8	Low	105 Å²	105	92.1 Å²	92.1	64%	0.636	50%	0.502	S	S	*	.			trans	-58.3	100.1	162.8	-176.4	0	0	0	0	105.5	I17 C21	I17-V19 HydrophobicContact CG2-CG2 3.51Å; I17-V19 PolarHBondContact O-N 3.35Å; I17-V19 VanDerWaalsContact O-N 3.09Å; V19-C21 PolarHBondContact O-N 3.42Å
20	Y	55.2	Low	67.7	Low	217 Å²	217	94.5 Å²	94.5	85%	0.851	51%	0.511	S	S	*	.			trans	-67.5	79.2	161.7	-88.9	-92	0	0	0	106.5	L18 G22	L18-Y20 VanDerWaalsContact C-N 3.27Å; L18-Y20 PolarHBondContact O-N 3Å; Y20-G22 PolarHBondContact O-N 3.39Å
21	C	60.3	Low	69.6	Low	107 Å²	107	89 Å²	89	72%	0.723	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-57.2	132.9	157.2	-94.7	0	0	0	0	106.2	V19	V19-C21 PolarHBondContact O-N 3.42Å
22	G	72.3	Confident	71.6	Confident	41 Å²	41	89.4 Å²	89.4	42%	0.423	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-50.4	167.8	175.5	0	0	0	0	0	112.8	Y20 D24	Y20-G22 PolarHBondContact O-N 3.39Å; G22-D24 PolarHBondContact O-N 2.71Å; G22-D24 VanDerWaalsContact O-N 3.16Å
23	R	83.6	Confident	73.6	Confident	72 Å²	72	89.4 Å²	89.4	27%	0.272	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-58.3	123.6	-176.1	-71	-176.5	-70.1	160.4	4.2	110.1	F25 I28 D68 E71 Y85 E90	R23-F25 HydrophobicContact CB-CE1 4.36Å; R23-F25 PolarHBondContact O-N 3.41Å; R23-I28 HydrophobicContact CB-CD1 3.93Å; R23-D68 IonicContact CZ-OD1 3.4Å; R23-D68 IonicContact NH1-OD1 2.76Å; R23-D68 PolarHBondContact NH1-OD1 3.07Å; R23-E71 IonicContact CZ-OE1 2.59Å; R23-E71 IonicContact CZ-OE2 3.8Å; R23-E71 IonicContact NH1-OE2 3.26Å; R23-E71 PolarHBondContact NH1-OE2 2.94Å; R23-E71 IonicContact NH2-OE1 3.42Å; R23-E71 PolarHBondContact NH2-OE1 2.92Å; R23-E71 IonicContact NH2-OE2 2.79Å; R23-E71 PolarHBondContact NH2-OE2 3.22Å; R23-Y85 PolarHBondContact O-OH 2.77Å; R23-E90 VanDerWaalsContact CB-OE2 3.3Å; R23-E90 WeakPolarHBondContact CB-OE2 3.28Å; R23-E90 WeakPolarHBondContact CG-OE2 3.48Å; R23-E90 IonicContact CZ-OE1 3.17Å; R23-E90 PolarHBondContact N-OE2 3Å; R23-E90 IonicContact NE-OE1 2.74Å; R23-E90 PolarHBondContact NE-OE1 3.46Å; R23-E90 VanDerWaalsContact NE-OE1 3.14Å; R23-E90 IonicContact NE-OE2 3.14Å; R23-E90 PolarHBondContact NE-OE2 2.8Å; R23-E90 IonicContact NH2-OE1 2.76Å; R23-E90 PolarHBondContact NH2-OE1 2.8Å
24	D	90.7	Very high	75.5	Confident	49 Å²	49	87 Å²	87	26%	0.262	48%	0.475	S	S	.	.			trans	-81.9	100.1	173.6	-167	-16.7	0	0	0	110.2	G22 Y26 A27 I28 R33 Y85	G22-D24 PolarHBondContact O-N 2.71Å; G22-D24 VanDerWaalsContact O-N 3.16Å; D24-Y26 PolarHBondContact O-N 3.1Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.33Å; D24-Y26 PolarHBondContact OD1-N 3.21Å; D24-A27 HydrophobicContact CB-CB 3.85Å; D24-A27 WeakPolarHBondContact O-CB 3.41Å; D24-A27 PolarHBondContact O-N 3.26Å; D24-I28 WeakPolarHBondContact O-CG1 3.39Å; D24-I28 PolarHBondContact O-N 3.44Å; D24-R33 IonicContact OD2-CZ 3.13Å; D24-R33 IonicContact OD2-NE 3.03Å; D24-R33 IonicContact OD2-NH2 2.89Å; D24-R33 PolarHBondContact OD2-NH2 2.91Å; D24-Y85 VanDerWaalsContact CA-OH 3.25Å; D24-Y85 WeakPolarHBondContact CA-OH 3.43Å; D24-Y85 PolarHBondContact OD1-OH 3.08Å
25	F	94.3	Very high	77.4	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-29.6	178.1	-66.4	-31.2	0	0	0	114	R23 I28 L29 E71 A72 V75 L76 Y85 E90 L93	R23-F25 HydrophobicContact CB-CE1 4.36Å; R23-F25 PolarHBondContact O-N 3.41Å; F25-I28 HydrophobicContact CD1-CD1 3.91Å; F25-I28 PolarHBondContact O-N 3.07Å; F25-L29 PolarHBondContact O-N 2.89Å; F25-L29 VanDerWaalsContact O-N 3.1Å; F25-E71 HydrophobicContact CE1-CG 4.28Å; F25-E71 HydrophobicContact CZ-CG 4.13Å; F25-A72 HydrophobicContact CB-CB 3.7Å; F25-A72 HydrophobicContact CD1-CB 3.65Å; F25-A72 HydrophobicContact CG-CB 3.85Å; F25-V75 HydrophobicContact CD2-CB 3.95Å; F25-V75 HydrophobicContact CD2-CG1 3.81Å; F25-V75 HydrophobicContact CD2-CG2 4.23Å; F25-V75 HydrophobicContact CE2-CB 3.92Å; F25-V75 HydrophobicContact CE2-CG1 3.9Å; F25-V75 HydrophobicContact CE2-CG2 3.69Å; F25-V75 HydrophobicContact CZ-CG2 4.32Å; F25-L76 HydrophobicContact CB-CD1 3.74Å; F25-L76 HydrophobicContact CB-CG 4.06Å; F25-Y85 HydrophobicContact CB-CE1 4.13Å; F25-Y85 HydrophobicContact CB-CE2 4.36Å; F25-Y85 HydrophobicContact CD2-CD1 4.24Å; F25-Y85 AromaticContact CD2-CD2 3.42Å; F25-Y85 HydrophobicContact CD2-CD2 3.42Å; F25-Y85 VanDerWaalsContact CD2-CD2 3.42Å; F25-Y85 HydrophobicContact CD2-CE1 4.08Å; F25-Y85 AromaticContact CD2-CE2 3.22Å; F25-Y85 HydrophobicContact CD2-CE2 3.22Å; F25-Y85 AromaticContact CD2-CG 3.93Å; F25-Y85 HydrophobicContact CD2-CG 3.93Å; F25-Y85 AromaticContact CD2-CZ 3.6Å; F25-Y85 AromaticContact CE2-CD2 3.57Å; F25-Y85 HydrophobicContact CE2-CD2 3.57Å; F25-Y85 AromaticContact CE2-CE2 3.58Å; F25-Y85 HydrophobicContact CE2-CE2 3.58Å; F25-Y85 HydrophobicContact CE2-CG 4.35Å; F25-Y85 HydrophobicContact CG-CD2 4.48Å; F25-Y85 HydrophobicContact CG-CE1 4.49Å; F25-Y85 AromaticContact CG-CE2 3.9Å; F25-Y85 HydrophobicContact CG-CE2 3.9Å; F25-Y85 AromaticContact CG-CZ 3.92Å; F25-Y85 HydrophobicContact CZ-CE2 4.5Å; F25-Y85 PolarHBondContact N-OH 3.19Å; F25-E90 HydrophobicContact CZ-CG 4.23Å; F25-L93 HydrophobicContact CD2-CD1 4.42Å; F25-L93 HydrophobicContact CE2-CD1 3.49Å; F25-L93 VanDerWaalsContact CE2-CD1 3.49Å; F25-L93 HydrophobicContact CZ-CD1 4.28Å
26	Y	94.7	Very high	79.4	Confident	3 Å²	3	79.6 Å²	79.6	1%	0.012	43%	0.43	C	S	.	.	H	α-helix	trans	-68.9	-41.6	174.6	-65.4	-78.7	0	0	0	110.8	D24 L29 N30 V31 R33 L76 R82 Y85 D86	D24-Y26 PolarHBondContact O-N 3.1Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.33Å; D24-Y26 PolarHBondContact OD1-N 3.21Å; Y26-L29 PolarHBondContact O-N 3.35Å; Y26-N30 PolarHBondContact O-N 3.19Å; Y26-V31 CarbonylContact C-O 3.58Å; Y26-V31 WeakPolarHBondContact CB-O 3.11Å; Y26-V31 HydrophobicContact CD1-CG2 4.1Å; Y26-V31 PolarHBondContact O-N 3.08Å; Y26-V31 VanDerWaalsContact O-O 3.12Å; Y26-R33 HydrophobicContact CD1-CB 4.5Å; Y26-R33 HydrophobicContact CD1-CG 4.47Å; Y26-R33 HydrophobicContact CD2-CB 4.38Å; Y26-R33 HydrophobicContact CD2-CG 3.75Å; Y26-R33 WeakPolarHBondContact CE1-O 3.41Å; Y26-R33 HydrophobicContact CE2-CB 4.4Å; Y26-R33 HydrophobicContact CE2-CG 4.14Å; Y26-R33 HydrophobicContact CG-CB 4.42Å; Y26-R33 HydrophobicContact CG-CG 3.92Å; Y26-L76 HydrophobicContact CD1-CD1 3.93Å; Y26-L76 HydrophobicContact CD1-CD2 4.31Å; Y26-L76 HydrophobicContact CD2-CD2 4.47Å; Y26-L76 HydrophobicContact CE1-CD1 4.1Å; Y26-L76 HydrophobicContact CE1-CD2 3.72Å; Y26-L76 HydrophobicContact CE2-CD2 3.93Å; Y26-L76 HydrophobicContact CG-CD1 4.26Å; Y26-R82 PolarHBondContact OH-NE 3.18Å; Y26-Y85 AromaticContact CD2-CE1 3.83Å; Y26-Y85 HydrophobicContact CD2-CE1 3.83Å; Y26-Y85 HydrophobicContact CE2-CD1 4.06Å; Y26-Y85 AromaticContact CE2-CE1 3.61Å; Y26-Y85 HydrophobicContact CE2-CE1 3.61Å; Y26-D86 WeakPolarHBondContact CE2-OD1 3.46Å; Y26-D86 VanDerWaalsContact OH-CG 3.27Å; Y26-D86 PolarHBondContact OH-OD1 3.34Å; Y26-D86 PolarHBondContact OH-OD2 3.49Å; Y26-D86 VanDerWaalsContact OH-OD2 3.1Å
27	A	92.8	Very high	81.3	Confident	58 Å²	58	80.3 Å²	80.3	48%	0.479	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-40	175.5	0	0	0	0	0	111.7	D24 L29 N30	D24-A27 HydrophobicContact CB-CB 3.85Å; D24-A27 WeakPolarHBondContact O-CB 3.41Å; D24-A27 PolarHBondContact O-N 3.26Å; A27-L29 VanDerWaalsContact C-N 3.35Å; A27-L29 PolarHBondContact O-N 3.27Å; A27-N30 PolarHBondContact O-N 3.33Å; A27-N30 PolarHBondContact O-OD1 3.39Å
28	I	92.9	Very high	83.2	Confident	41 Å²	41	76.7 Å²	76.7	21%	0.21	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-44	176.8	-71.2	163.6	0	0	0	111.3	R23 D24 F25 N30 D68 I69 A72	R23-I28 HydrophobicContact CB-CD1 3.93Å; D24-I28 WeakPolarHBondContact O-CG1 3.39Å; D24-I28 PolarHBondContact O-N 3.44Å; F25-I28 HydrophobicContact CD1-CD1 3.91Å; F25-I28 PolarHBondContact O-N 3.07Å; I28-N30 PolarHBondContact O-N 3.39Å; I28-D68 HydrophobicContact CD1-CB 4.33Å; I28-D68 HydrophobicContact CG2-CB 4.08Å; I28-I69 HydrophobicContact CG2-CG1 3.76Å; I28-A72 HydrophobicContact CB-CB 4.27Å; I28-A72 HydrophobicContact CG2-CB 3.97Å
29	L	93.3	Very high	85.2	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.1	176.2	-69.4	-175.5	0	0	0	113.7	F25 Y26 A27 V31 I40 A43 Y44 L47 I69 A72 L76	F25-L29 PolarHBondContact O-N 2.89Å; F25-L29 VanDerWaalsContact O-N 3.1Å; Y26-L29 PolarHBondContact O-N 3.35Å; A27-L29 VanDerWaalsContact C-N 3.35Å; A27-L29 PolarHBondContact O-N 3.27Å; L29-V31 VanDerWaalsContact C-N 3.26Å; L29-V31 HydrophobicContact CB-CG1 4.44Å; L29-V31 HydrophobicContact CB-CG2 3.84Å; L29-V31 PolarHBondContact O-N 3.42Å; L29-I40 HydrophobicContact CD1-CG2 3.84Å; L29-A43 WeakPolarHBondContact O-CB 3.44Å; L29-Y44 HydrophobicContact CD2-CD2 4.48Å; L29-L47 HydrophobicContact CD2-CD1 4.45Å; L29-I69 HydrophobicContact CD2-CB 4.46Å; L29-I69 HydrophobicContact CD2-CG1 4.49Å; L29-I69 HydrophobicContact CD2-CG2 3.89Å; L29-A72 HydrophobicContact CD1-CB 4.25Å; L29-A72 HydrophobicContact CD2-CB 4.29Å; L29-A72 HydrophobicContact CG-CB 3.85Å; L29-L76 HydrophobicContact CD1-CD1 3.87Å
30	N	92.7	Very high	87.2	Confident	128 Å²	128	69.9 Å²	69.9	68%	0.684	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	42.9	-173.2	-68.7	-62.5	0	0	0	113.1	Y26 A27 I28	Y26-N30 PolarHBondContact O-N 3.19Å; A27-N30 PolarHBondContact O-N 3.33Å; A27-N30 PolarHBondContact O-OD1 3.39Å; I28-N30 PolarHBondContact O-N 3.39Å
31	V	93.8	Very high	89	Confident	18 Å²	18	63.8 Å²	63.8	11%	0.109	35%	0.348	C	S	.	.			trans	-120.9	150	177.3	-66.5	0	0	0	0	110.4	Y26 L29 A35 I40 A43	Y26-V31 CarbonylContact C-O 3.58Å; Y26-V31 WeakPolarHBondContact CB-O 3.11Å; Y26-V31 HydrophobicContact CD1-CG2 4.1Å; Y26-V31 PolarHBondContact O-N 3.08Å; Y26-V31 VanDerWaalsContact O-O 3.12Å; L29-V31 VanDerWaalsContact C-N 3.26Å; L29-V31 HydrophobicContact CB-CG1 4.44Å; L29-V31 HydrophobicContact CB-CG2 3.84Å; L29-V31 PolarHBondContact O-N 3.42Å; V31-A35 HydrophobicContact CB-CB 3.9Å; V31-A35 HydrophobicContact CG2-CB 4.26Å; V31-I40 HydrophobicContact CG2-CG1 4.37Å; V31-A43 HydrophobicContact CG1-CB 3.42Å; V31-A43 VanDerWaalsContact CG1-CB 3.42Å
32	P	93.3	Very high	90.6	Very high	78 Å²	78	66.3 Å²	66.3	51%	0.506	35%	0.347	S	S	.	.			trans	-70.3	157.1	174	32.3	-37.1	0	0	0	111	N34 A35	P32-N34 VanDerWaalsContact CB-OD1 3.28Å; P32-N34 WeakPolarHBondContact CB-OD1 2.93Å; P32-N34 WeakPolarHBondContact CG-OD1 3.4Å; P32-N34 PolarHBondContact O-N 3.38Å; P32-N34 VanDerWaalsContact O-N 3.15Å; P32-A35 HydrophobicContact CG-CB 4.23Å; P32-A35 WeakPolarHBondContact O-CB 3.35Å; P32-A35 PolarHBondContact O-N 3.25Å
33	R	90	Very high	91.6	Very high	160 Å²	160	65.3 Å²	65.3	60%	0.604	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.6	-179	-67.2	-163.6	173	-153.9	-3.2	114.3	D24 Y26 A35 R82	D24-R33 IonicContact OD2-CZ 3.13Å; D24-R33 IonicContact OD2-NE 3.03Å; D24-R33 IonicContact OD2-NH2 2.89Å; D24-R33 PolarHBondContact OD2-NH2 2.91Å; Y26-R33 HydrophobicContact CD1-CB 4.5Å; Y26-R33 HydrophobicContact CD1-CG 4.47Å; Y26-R33 HydrophobicContact CD2-CB 4.38Å; Y26-R33 HydrophobicContact CD2-CG 3.75Å; Y26-R33 WeakPolarHBondContact CE1-O 3.41Å; Y26-R33 HydrophobicContact CE2-CB 4.4Å; Y26-R33 HydrophobicContact CE2-CG 4.14Å; Y26-R33 HydrophobicContact CG-CB 4.42Å; Y26-R33 HydrophobicContact CG-CG 3.92Å; R33-A35 VanDerWaalsContact C-N 3.31Å; R33-R82 PolarHBondContact O-NH2 3.47Å
34	N	89.2	Confident	92.2	Very high	139 Å²	139	64.5 Å²	64.5	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	7.3	176.5	68.3	-18.8	0	0	0	113.9	P32	P32-N34 VanDerWaalsContact CB-OD1 3.28Å; P32-N34 WeakPolarHBondContact CB-OD1 2.93Å; P32-N34 WeakPolarHBondContact CG-OD1 3.4Å; P32-N34 PolarHBondContact O-N 3.38Å; P32-N34 VanDerWaalsContact O-N 3.15Å
35	A	88.3	Confident	92.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.347	C	S	.	.			trans	-58.6	138.8	-176.8	0	0	0	0	0	112.3	V31 P32 R33 E39 I40 R82	V31-A35 HydrophobicContact CB-CB 3.9Å; V31-A35 HydrophobicContact CG2-CB 4.26Å; P32-A35 HydrophobicContact CG-CB 4.23Å; P32-A35 WeakPolarHBondContact O-CB 3.35Å; P32-A35 PolarHBondContact O-N 3.25Å; R33-A35 VanDerWaalsContact C-N 3.31Å; A35-E39 VanDerWaalsContact CA-OE2 3.3Å; A35-E39 WeakPolarHBondContact CA-OE2 3.48Å; A35-E39 HydrophobicContact CB-CB 4.26Å; A35-I40 HydrophobicContact CB-CD1 4.41Å; A35-I40 HydrophobicContact CB-CG1 4Å; A35-R82 VanDerWaalsContact O-CZ 3.31Å; A35-R82 PolarHBondContact O-NH1 3.16Å; A35-R82 PolarHBondContact O-NH2 3.16Å
36	N	90.5	Very high	92.2	Very high	77 Å²	77	72.1 Å²	72.1	41%	0.412	37%	0.365	S	S	.	.			trans	-77.8	164.8	174.6	66	53.3	0	0	0	111.2	S38 E39 I40	N36-S38 PolarHBondContact O-N 2.82Å; N36-S38 VanDerWaalsContact O-N 3.14Å; N36-S38 WeakPolarHBondContact OD1-CA 3.43Å; N36-S38 VanDerWaalsContact OD1-CB 3.27Å; N36-S38 WeakPolarHBondContact OD1-CB 3.44Å; N36-S38 PolarHBondContact OD1-N 2.94Å; N36-E39 VanDerWaalsContact CG-CD 3.5Å; N36-E39 PolarHBondContact N-OE2 3.29Å; N36-E39 PolarHBondContact ND2-OE1 3.46Å; N36-E39 PolarHBondContact ND2-OE2 3.06Å; N36-E39 PolarHBondContact O-N 3.4Å; N36-E39 VanDerWaalsContact O-N 3.16Å; N36-E39 WeakPolarHBondContact OD1-CG 3.4Å; N36-E39 PolarHBondContact OD1-N 3.28Å; N36-I40 WeakPolarHBondContact O-CG1 3.2Å; N36-I40 PolarHBondContact O-N 2.9Å; N36-I40 VanDerWaalsContact O-N 3.08Å
37	K	89.7	Confident	92.1	Very high	98 Å²	98	73.2 Å²	73.2	43%	0.426	37%	0.371	S	S	.	.	H	α-helix	trans	-56.3	-32.7	-179.9	-71	-174.6	179.2	176.1	0	113.8	K41 D79	K37-K41 VanDerWaalsContact O-CB 3.28Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 2.94Å; K37-D79 VanDerWaalsContact CE-CG 3.42Å; K37-D79 WeakPolarHBondContact CE-OD1 3.28Å; K37-D79 WeakPolarHBondContact CE-OD2 3.22Å; K37-D79 IonicContact NZ-OD1 2.73Å; K37-D79 PolarHBondContact NZ-OD1 3.13Å; K37-D79 IonicContact NZ-OD2 3.4Å; K37-D79 PolarHBondContact NZ-OD2 3.44Å
38	S	88.1	Confident	92	Very high	89 Å²	89	71.4 Å²	71.4	62%	0.622	36%	0.356	S	S	*	.	H	α-helix	trans	-70	-42.2	-179.2	-168.6	0	0	0	0	111.2	N36 K41 K42	N36-S38 PolarHBondContact O-N 2.82Å; N36-S38 VanDerWaalsContact O-N 3.14Å; N36-S38 WeakPolarHBondContact OD1-CA 3.43Å; N36-S38 VanDerWaalsContact OD1-CB 3.27Å; N36-S38 WeakPolarHBondContact OD1-CB 3.44Å; N36-S38 PolarHBondContact OD1-N 2.94Å; S38-K41 PolarHBondContact O-N 2.87Å; S38-K42 WeakPolarHBondContact O-CB 3.46Å; S38-K42 PolarHBondContact O-N 2.9Å
39	E	91.5	Very high	91.8	Very high	91 Å²	91	72.5 Å²	72.5	43%	0.425	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-46.9	175.3	-73.9	159.1	-170.7	0	0	111.7	A35 N36 K41 K42 A43	A35-E39 VanDerWaalsContact CA-OE2 3.3Å; A35-E39 WeakPolarHBondContact CA-OE2 3.48Å; A35-E39 HydrophobicContact CB-CB 4.26Å; N36-E39 VanDerWaalsContact CG-CD 3.5Å; N36-E39 PolarHBondContact N-OE2 3.29Å; N36-E39 PolarHBondContact ND2-OE1 3.46Å; N36-E39 PolarHBondContact ND2-OE2 3.06Å; N36-E39 PolarHBondContact O-N 3.4Å; N36-E39 VanDerWaalsContact O-N 3.16Å; N36-E39 WeakPolarHBondContact OD1-CG 3.4Å; N36-E39 PolarHBondContact OD1-N 3.28Å; E39-K41 VanDerWaalsContact C-N 3.31Å; E39-K41 PolarHBondContact O-N 3.19Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 VanDerWaalsContact O-N 3.15Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.11Å
40	I	93.7	Very high	91.5	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-56	-47.9	175.3	-69.4	162.3	0	0	0	110.2	L29 V31 A35 N36 K42 A43 Y44 Y73 L76	L29-I40 HydrophobicContact CD1-CG2 3.84Å; V31-I40 HydrophobicContact CG2-CG1 4.37Å; A35-I40 HydrophobicContact CB-CD1 4.41Å; A35-I40 HydrophobicContact CB-CG1 4Å; N36-I40 WeakPolarHBondContact O-CG1 3.2Å; N36-I40 PolarHBondContact O-N 2.9Å; N36-I40 VanDerWaalsContact O-N 3.08Å; I40-K42 PolarHBondContact O-N 3.16Å; I40-A43 PolarHBondContact O-N 2.94Å; I40-Y44 WeakPolarHBondContact O-CB 3.33Å; I40-Y44 PolarHBondContact O-N 2.94Å; I40-Y73 HydrophobicContact CG2-CD2 4Å; I40-Y73 HydrophobicContact CG2-CE2 4.43Å; I40-L76 HydrophobicContact CD1-CB 4.18Å; I40-L76 HydrophobicContact CG2-CB 3.97Å
41	K	93.2	Very high	91.2	Very high	89 Å²	89	73.8 Å²	73.8	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-38.8	177.6	-170	178.6	-162	-178.6	0	112.9	K37 S38 E39 R45 Y73	K37-K41 VanDerWaalsContact O-CB 3.28Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 2.94Å; S38-K41 PolarHBondContact O-N 2.87Å; E39-K41 VanDerWaalsContact C-N 3.31Å; E39-K41 PolarHBondContact O-N 3.19Å; K41-R45 VanDerWaalsContact O-CG 3.27Å; K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.9Å; K41-R45 VanDerWaalsContact O-N 3.1Å; K41-Y73 HydrophobicContact CB-CE2 4.1Å; K41-Y73 HydrophobicContact CG-CE2 4.2Å
42	K	93.2	Very high	90.7	Very high	160 Å²	160	77.3 Å²	77.3	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-68.1	-43.8	178.1	-172.7	-179.5	179.1	-175.7	0	111.3	S38 E39 I40 R45 S46	S38-K42 WeakPolarHBondContact O-CB 3.46Å; S38-K42 PolarHBondContact O-N 2.9Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 VanDerWaalsContact O-N 3.15Å; I40-K42 PolarHBondContact O-N 3.16Å; K42-R45 PolarHBondContact O-N 3.18Å; K42-S46 PolarHBondContact O-N 3.09Å
43	A	94.8	Very high	90.2	Very high	19 Å²	19	76.7 Å²	76.7	16%	0.157	38%	0.379	C	S	.	.	H	α-helix	trans	-63.2	-47.9	177.6	0	0	0	0	0	111.4	L29 V31 E39 I40 R45 S46 L47	L29-A43 WeakPolarHBondContact O-CB 3.44Å; V31-A43 HydrophobicContact CG1-CB 3.42Å; V31-A43 VanDerWaalsContact CG1-CB 3.42Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.11Å; I40-A43 PolarHBondContact O-N 2.94Å; A43-R45 PolarHBondContact O-N 3.03Å; A43-S46 PolarHBondContact O-N 2.81Å; A43-S46 VanDerWaalsContact O-N 3.15Å; A43-L47 WeakPolarHBondContact O-CG 3.31Å; A43-L47 PolarHBondContact O-N 2.79Å
44	Y	94.9	Very high	89.9	Confident	55 Å²	55	74.8 Å²	74.8	22%	0.216	38%	0.381	C	S	.	.	H	α-helix	trans	-53.3	-53.6	173.7	170.5	-105.3	0	0	0	112	L29 I40 S46 L47 A48 I69 N70 Y73	L29-Y44 HydrophobicContact CD2-CD2 4.48Å; I40-Y44 WeakPolarHBondContact O-CB 3.33Å; I40-Y44 PolarHBondContact O-N 2.94Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 2.79Å; Y44-L47 PolarHBondContact O-N 3.17Å; Y44-A48 HydrophobicContact CE2-CB 4.32Å; Y44-A48 VanDerWaalsContact O-CB 3.25Å; Y44-A48 WeakPolarHBondContact O-CB 3.33Å; Y44-A48 PolarHBondContact O-N 2.85Å; Y44-I69 HydrophobicContact CD2-CG2 3.5Å; Y44-I69 VanDerWaalsContact CD2-CG2 3.5Å; Y44-I69 HydrophobicContact CE2-CG2 3.81Å; Y44-N70 VanDerWaalsContact CE2-OD1 3.27Å; Y44-N70 WeakPolarHBondContact CE2-OD1 3.29Å; Y44-N70 PolarHBondContact OH-OD1 3.03Å; Y44-Y73 AromaticContact CD1-CD1 3.84Å; Y44-Y73 HydrophobicContact CD1-CD1 3.84Å; Y44-Y73 AromaticContact CD1-CD2 3.99Å; Y44-Y73 HydrophobicContact CD1-CD2 3.99Å; Y44-Y73 HydrophobicContact CD1-CE1 4.02Å; Y44-Y73 HydrophobicContact CD1-CE2 4.17Å; Y44-Y73 AromaticContact CD1-CG 3.82Å; Y44-Y73 HydrophobicContact CD1-CG 3.82Å; Y44-Y73 HydrophobicContact CD2-CD1 4.06Å; Y44-Y73 HydrophobicContact CD2-CD2 4.22Å; Y44-Y73 AromaticContact CD2-CG 3.61Å; Y44-Y73 HydrophobicContact CD2-CG 3.61Å; Y44-Y73 AromaticContact CE1-CD1 3.88Å; Y44-Y73 HydrophobicContact CE1-CD1 3.88Å; Y44-Y73 HydrophobicContact CE1-CE1 4.06Å; Y44-Y73 HydrophobicContact CE1-CG 4.28Å; Y44-Y73 HydrophobicContact CE2-CD1 4.11Å; Y44-Y73 HydrophobicContact CE2-CG 4.1Å; Y44-Y73 AromaticContact CG-CD1 3.93Å; Y44-Y73 HydrophobicContact CG-CD1 3.93Å; Y44-Y73 AromaticContact CG-CD2 3.64Å; Y44-Y73 HydrophobicContact CG-CD2 3.64Å; Y44-Y73 HydrophobicContact CG-CE1 4.5Å; Y44-Y73 HydrophobicContact CG-CE2 4.26Å; Y44-Y73 AromaticContact CG-CG 3.46Å; Y44-Y73 HydrophobicContact CG-CG 3.46Å; Y44-Y73 VanDerWaalsContact CG-CG 3.46Å
45	R	92.5	Very high	89.6	Confident	153 Å²	153	74.6 Å²	74.6	58%	0.577	37%	0.373	S	S	*	.	H	α-helix	trans	-58.1	-40.6	178.4	-73.3	172	-179.2	-178.4	-5.7	112.3	K41 K42 A43 S49	K41-R45 VanDerWaalsContact O-CG 3.27Å; K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.9Å; K41-R45 VanDerWaalsContact O-N 3.1Å; K42-R45 PolarHBondContact O-N 3.18Å; A43-R45 PolarHBondContact O-N 3.03Å; R45-S49 VanDerWaalsContact O-CB 3.31Å; R45-S49 WeakPolarHBondContact O-CB 3.27Å; R45-S49 PolarHBondContact O-N 2.9Å; R45-S49 VanDerWaalsContact O-N 3.14Å
46	S	92.5	Very high	89.3	Confident	56 Å²	56	77 Å²	77	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-40.8	178.6	-177.5	0	0	0	0	112.3	K42 A43 Y44 K50	K42-S46 PolarHBondContact O-N 3.09Å; A43-S46 PolarHBondContact O-N 2.81Å; A43-S46 VanDerWaalsContact O-N 3.15Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 2.79Å; S46-K50 VanDerWaalsContact O-CG 3.26Å; S46-K50 WeakPolarHBondContact O-CG 3.5Å; S46-K50 PolarHBondContact O-N 2.87Å
47	L	92.4	Very high	88.7	Confident	27 Å²	27	83.9 Å²	83.9	14%	0.141	41%	0.406	C	S	.	.	H	α-helix	trans	-77	-43.8	-178.5	-68.5	171.9	0	0	0	111.5	L29 A43 Y44 S49 K50 L51 I69	L29-L47 HydrophobicContact CD2-CD1 4.45Å; A43-L47 WeakPolarHBondContact O-CG 3.31Å; A43-L47 PolarHBondContact O-N 2.79Å; Y44-L47 PolarHBondContact O-N 3.17Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 2.82Å; L47-K50 WeakPolarHBondContact O-CB 3.27Å; L47-K50 PolarHBondContact O-N 2.67Å; L47-L51 PolarHBondContact O-N 3.14Å; L47-I69 HydrophobicContact CB-CD1 3.8Å; L47-I69 HydrophobicContact CB-CG2 4.37Å; L47-I69 HydrophobicContact CD1-CD1 4.21Å; L47-I69 HydrophobicContact CD1-CG1 4.39Å
48	A	90.6	Very high	88.1	Confident	19 Å²	19	88.1 Å²	88.1	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-59.7	-38.7	176.3	0	0	0	0	0	112.1	Y44 K50 H52 L66	Y44-A48 HydrophobicContact CE2-CB 4.32Å; Y44-A48 VanDerWaalsContact O-CB 3.25Å; Y44-A48 WeakPolarHBondContact O-CB 3.33Å; Y44-A48 PolarHBondContact O-N 2.85Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 3.49Å; A48-H52 PolarHBondContact O-N 2.89Å; A48-L66 HydrophobicContact CB-CD1 4.23Å
49	S	88.7	Confident	87.9	Confident	64 Å²	64	86.7 Å²	86.7	45%	0.448	41%	0.413	S	S	.	.	H	α-helix	trans	-70	-27.8	175	-172.9	0	0	0	0	113.7	R45 L47 K55	R45-S49 VanDerWaalsContact O-CB 3.31Å; R45-S49 WeakPolarHBondContact O-CB 3.27Å; R45-S49 PolarHBondContact O-N 2.9Å; R45-S49 VanDerWaalsContact O-N 3.14Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 2.82Å; S49-K55 PolarHBondContact O-NZ 2.9Å; S49-K55 VanDerWaalsContact O-NZ 3.07Å
50	K	88.4	Confident	87.3	Confident	132 Å²	132	87.7 Å²	87.7	57%	0.574	43%	0.428	S	S	*	.	H	α-helix	trans	-76.9	-39.9	175.4	-76.1	172.5	-178.7	179.8	0	111.5	S46 L47 A48 H52 N56	S46-K50 VanDerWaalsContact O-CG 3.26Å; S46-K50 WeakPolarHBondContact O-CG 3.5Å; S46-K50 PolarHBondContact O-N 2.87Å; L47-K50 WeakPolarHBondContact O-CB 3.27Å; L47-K50 PolarHBondContact O-N 2.67Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 3.49Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-N56 PolarHBondContact O-ND2 3.27Å
51	L	86.2	Confident	86.8	Confident	24 Å²	24	93.9 Å²	93.9	13%	0.126	45%	0.454	C	S	.	.	S	Bend	trans	-91	7.9	-178	-71.6	165.6	0	0	0	114	L47 N56 A62 K65 L66 I69	L47-L51 PolarHBondContact O-N 3.14Å; L51-N56 WeakPolarHBondContact CA-ND2 3.49Å; L51-A62 HydrophobicContact CD2-CB 4.41Å; L51-K65 HydrophobicContact CD1-CB 3.86Å; L51-K65 HydrophobicContact CD2-CB 4.31Å; L51-K65 HydrophobicContact CD2-CD 4.13Å; L51-L66 HydrophobicContact CB-CD1 4.42Å; L51-I69 HydrophobicContact CD1-CD1 3.18Å
52	H	83.1	Confident	86.3	Confident	93 Å²	93	89.7 Å²	89.7	43%	0.431	44%	0.436	S	S	.	.			trans	-55.2	137.5	179.3	-170.2	-90.5	0	0	0	110.9	A48 K50 D54 K55 N56	A48-H52 PolarHBondContact O-N 2.89Å; K50-H52 VanDerWaalsContact C-N 3.34Å; H52-D54 WeakPolarHBondContact ND1-CB 3.23Å; H52-D54 PolarHBondContact ND1-N 3.2Å; H52-D54 PolarHBondContact O-N 2.65Å; H52-D54 VanDerWaalsContact O-N 3.13Å; H52-K55 PolarHBondContact O-N 3.13Å; H52-N56 PolarHBondContact O-N 2.78Å; H52-N56 PolarHBondContact O-ND2 3.21Å
53	P	82.2	Confident	85.9	Confident	64 Å²	64	86.5 Å²	86.5	42%	0.416	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.7	-174.7	20.1	-34	0	0	0	113	K55 N56 R57	P53-K55 VanDerWaalsContact C-N 3.27Å; P53-K55 PolarHBondContact O-N 2.89Å; P53-N56 PolarHBondContact O-N 2.99Å; P53-R57 WeakPolarHBondContact O-CG 3.14Å; P53-R57 PolarHBondContact O-N 3Å
54	D	83.5	Confident	85.5	Confident	120 Å²	120	91.3 Å²	91.3	64%	0.642	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.7	176.6	-167	43	0	0	0	113.3	H52	H52-D54 WeakPolarHBondContact ND1-CB 3.23Å; H52-D54 PolarHBondContact ND1-N 3.2Å; H52-D54 PolarHBondContact O-N 2.65Å; H52-D54 VanDerWaalsContact O-N 3.13Å
55	K	83.2	Confident	85.1	Confident	135 Å²	135	93 Å²	93	59%	0.587	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.3	-178.5	-65.5	-179.1	-174.6	167.4	0	113.9	S49 H52 P53	S49-K55 PolarHBondContact O-NZ 2.9Å; S49-K55 VanDerWaalsContact O-NZ 3.07Å; H52-K55 PolarHBondContact O-N 3.13Å; P53-K55 VanDerWaalsContact C-N 3.27Å; P53-K55 PolarHBondContact O-N 2.89Å
56	N	82.7	Confident	85	Confident	51 Å²	51	87.3 Å²	87.3	27%	0.273	44%	0.435	S	S	.	.			trans	-128.8	46.7	-173.7	-53.7	-78.7	0	0	0	111.7	K50 L51 H52 P53 E58 D59 A62	K50-N56 PolarHBondContact O-ND2 3.27Å; L51-N56 WeakPolarHBondContact CA-ND2 3.49Å; H52-N56 PolarHBondContact O-N 2.78Å; H52-N56 PolarHBondContact O-ND2 3.21Å; P53-N56 PolarHBondContact O-N 2.99Å; N56-E58 PolarHBondContact O-N 2.73Å; N56-E58 VanDerWaalsContact O-N 3.1Å; N56-D59 HydrophobicContact CB-CB 4.49Å; N56-D59 PolarHBondContact O-N 3.44Å; N56-A62 HydrophobicContact CB-CB 3.84Å
57	R	77.2	Confident	84.8	Confident	221 Å²	221	90.7 Å²	90.7	83%	0.834	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.1	-176.3	-60	179.9	74.3	-155.2	2.7	114	P53	P53-R57 WeakPolarHBondContact O-CG 3.14Å; P53-R57 PolarHBondContact O-N 3Å
58	E	78.5	Confident	84.7	Confident	187 Å²	187	91.8 Å²	91.8	87%	0.874	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-10.3	-174.9	-61.4	-177.2	174.7	0	0	114.2	N56 P60	N56-E58 PolarHBondContact O-N 2.73Å; N56-E58 VanDerWaalsContact O-N 3.1Å; E58-P60 WeakPolarHBondContact O-CD 3.48Å
59	D	82.3	Confident	84.8	Confident	59 Å²	59	91.2 Å²	91.2	32%	0.316	45%	0.445	S	S	.	.			trans	-89.1	104.8	179.1	-178.2	6.4	0	0	0	110	N56 K61 A62 K65	N56-D59 HydrophobicContact CB-CB 4.49Å; N56-D59 PolarHBondContact O-N 3.44Å; D59-K61 PolarHBondContact O-N 3.14Å; D59-K61 VanDerWaalsContact O-N 3.08Å; D59-K61 WeakPolarHBondContact OD1-CB 3.32Å; D59-K61 PolarHBondContact OD1-N 2.88Å; D59-A62 HydrophobicContact CB-CB 3.98Å; D59-A62 WeakPolarHBondContact O-CB 3.42Å; D59-A62 PolarHBondContact O-N 2.9Å; D59-K65 IonicContact OD2-NZ 3.66Å; D59-K65 PolarHBondContact OD2-NZ 2.95Å
60	P	80	Confident	84.9	Confident	113 Å²	113	90.8 Å²	90.8	73%	0.734	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15	179.4	27.8	-35.8	0	0	0	113.1	E58	E58-P60 WeakPolarHBondContact O-CD 3.48Å
61	K	83.4	Confident	85.1	Confident	130 Å²	130	87.6 Å²	87.6	57%	0.565	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.8	176.6	-63	-176.4	178.7	-178.7	0	113.1	D59 K65	D59-K61 PolarHBondContact O-N 3.14Å; D59-K61 VanDerWaalsContact O-N 3.08Å; D59-K61 WeakPolarHBondContact OD1-CB 3.32Å; D59-K61 PolarHBondContact OD1-N 2.88Å; K61-K65 WeakPolarHBondContact O-CG 3.36Å; K61-K65 PolarHBondContact O-N 2.89Å; K61-K65 VanDerWaalsContact O-N 3.14Å
62	A	82.5	Confident	85.4	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.008	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-41.2	-179.3	0	0	0	0	0	111.9	L51 N56 D59 K65 L66	L51-A62 HydrophobicContact CD2-CB 4.41Å; N56-A62 HydrophobicContact CB-CB 3.84Å; D59-A62 HydrophobicContact CB-CB 3.98Å; D59-A62 WeakPolarHBondContact O-CB 3.42Å; D59-A62 PolarHBondContact O-N 2.9Å; A62-K65 PolarHBondContact O-N 3.41Å; A62-L66 WeakPolarHBondContact O-CB 3.33Å; A62-L66 PolarHBondContact O-N 2.91Å
63	D	83.7	Confident	85.9	Confident	94 Å²	94	84.5 Å²	84.5	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-44.1	179.1	-72.4	-14.6	0	0	0	112	L66 Q67	D63-L66 PolarHBondContact O-N 2.75Å; D63-Q67 WeakPolarHBondContact O-CG 3.38Å; D63-Q67 PolarHBondContact O-N 3.45Å
64	Q	86.3	Confident	86.3	Confident	120 Å²	120	87 Å²	87	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-61.9	-46.3	176.6	-70	178.7	-11	0	0	111.3	L66 Q67 D68	Q64-L66 VanDerWaalsContact C-N 3.29Å; Q64-L66 PolarHBondContact O-N 3.49Å; Q64-Q67 WeakPolarHBondContact O-CB 3.35Å; Q64-Q67 PolarHBondContact O-N 2.82Å; Q64-D68 PolarHBondContact O-N 2.95Å
65	K	88.1	Confident	86.8	Confident	91 Å²	91	81.7 Å²	81.7	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-38.5	176.2	-69.1	169.3	-173.9	163.5	0	111.9	L51 D59 K61 A62 D68 I69	L51-K65 HydrophobicContact CD1-CB 3.86Å; L51-K65 HydrophobicContact CD2-CB 4.31Å; L51-K65 HydrophobicContact CD2-CD 4.13Å; D59-K65 IonicContact OD2-NZ 3.66Å; D59-K65 PolarHBondContact OD2-NZ 2.95Å; K61-K65 WeakPolarHBondContact O-CG 3.36Å; K61-K65 PolarHBondContact O-N 2.89Å; K61-K65 VanDerWaalsContact O-N 3.14Å; A62-K65 PolarHBondContact O-N 3.41Å; K65-D68 PolarHBondContact O-N 2.85Å; K65-I69 WeakPolarHBondContact O-CB 3.35Å; K65-I69 WeakPolarHBondContact O-CD1 3.3Å; K65-I69 VanDerWaalsContact O-CG1 3.31Å; K65-I69 WeakPolarHBondContact O-CG1 3.33Å; K65-I69 PolarHBondContact O-N 3.38Å
66	L	89.2	Confident	87.3	Confident	32 Å²	32	75.3 Å²	75.3	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-39.9	178	-175.6	62.1	0	0	0	111.2	A48 L51 A62 D63 Q64 I69 N70	A48-L66 HydrophobicContact CB-CD1 4.23Å; L51-L66 HydrophobicContact CB-CD1 4.42Å; A62-L66 WeakPolarHBondContact O-CB 3.33Å; A62-L66 PolarHBondContact O-N 2.91Å; D63-L66 PolarHBondContact O-N 2.75Å; Q64-L66 VanDerWaalsContact C-N 3.29Å; Q64-L66 PolarHBondContact O-N 3.49Å; L66-I69 PolarHBondContact O-N 2.66Å; L66-N70 WeakPolarHBondContact O-CB 3.31Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 2.77Å; L66-N70 PolarHBondContact O-OD1 3.24Å
67	Q	88.5	Confident	87.6	Confident	128 Å²	128	74.5 Å²	74.5	60%	0.598	36%	0.357	S	S	*	.	H	α-helix	trans	-60.3	-48.6	172.6	-70.6	171.7	7.1	0	0	111.3	D63 Q64 I69 N70 E71	D63-Q67 WeakPolarHBondContact O-CG 3.38Å; D63-Q67 PolarHBondContact O-N 3.45Å; Q64-Q67 WeakPolarHBondContact O-CB 3.35Å; Q64-Q67 PolarHBondContact O-N 2.82Å; Q67-I69 VanDerWaalsContact C-N 3.3Å; Q67-I69 PolarHBondContact O-N 3.03Å; Q67-N70 PolarHBondContact O-N 3Å; Q67-E71 PolarHBondContact O-N 3.17Å
68	D	90.8	Very high	88.3	Confident	49 Å²	49	69.6 Å²	69.6	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-57.5	-43	177	-71.3	-34.2	0	0	0	112	R23 I28 Q64 K65 A72	R23-D68 IonicContact CZ-OD1 3.4Å; R23-D68 IonicContact NH1-OD1 2.76Å; R23-D68 PolarHBondContact NH1-OD1 3.07Å; I28-D68 HydrophobicContact CD1-CB 4.33Å; I28-D68 HydrophobicContact CG2-CB 4.08Å; Q64-D68 PolarHBondContact O-N 2.95Å; K65-D68 PolarHBondContact O-N 2.85Å; D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 3.49Å
69	I	92.3	Very high	88.8	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-39.8	178.5	-77	160.2	0	0	0	112	I28 L29 Y44 L47 L51 K65 L66 Q67 Y73	I28-I69 HydrophobicContact CG2-CG1 3.76Å; L29-I69 HydrophobicContact CD2-CB 4.46Å; L29-I69 HydrophobicContact CD2-CG1 4.49Å; L29-I69 HydrophobicContact CD2-CG2 3.89Å; Y44-I69 HydrophobicContact CD2-CG2 3.5Å; Y44-I69 VanDerWaalsContact CD2-CG2 3.5Å; Y44-I69 HydrophobicContact CE2-CG2 3.81Å; L47-I69 HydrophobicContact CB-CD1 3.8Å; L47-I69 HydrophobicContact CB-CG2 4.37Å; L47-I69 HydrophobicContact CD1-CD1 4.21Å; L47-I69 HydrophobicContact CD1-CG1 4.39Å; L51-I69 HydrophobicContact CD1-CD1 3.18Å; K65-I69 WeakPolarHBondContact O-CB 3.35Å; K65-I69 WeakPolarHBondContact O-CD1 3.3Å; K65-I69 VanDerWaalsContact O-CG1 3.31Å; K65-I69 WeakPolarHBondContact O-CG1 3.33Å; K65-I69 PolarHBondContact O-N 3.38Å; L66-I69 PolarHBondContact O-N 2.66Å; Q67-I69 VanDerWaalsContact C-N 3.3Å; Q67-I69 PolarHBondContact O-N 3.03Å; I69-Y73 WeakPolarHBondContact O-CB 3.42Å; I69-Y73 PolarHBondContact O-N 2.95Å
70	N	91.7	Very high	88.9	Confident	54 Å²	54	68.8 Å²	68.8	29%	0.289	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-48.2	176.9	-69.6	-20	0	0	0	110.5	Y44 L66 Q67 Y73 E74	Y44-N70 VanDerWaalsContact CE2-OD1 3.27Å; Y44-N70 WeakPolarHBondContact CE2-OD1 3.29Å; Y44-N70 PolarHBondContact OH-OD1 3.03Å; L66-N70 WeakPolarHBondContact O-CB 3.31Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 2.77Å; L66-N70 PolarHBondContact O-OD1 3.24Å; Q67-N70 PolarHBondContact O-N 3Å; N70-Y73 PolarHBondContact O-N 2.75Å; N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 2.66Å
71	E	91.6	Very high	89.4	Confident	65 Å²	65	67 Å²	67	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-47.3	178.6	-169.5	-179.8	167.4	0	0	111.8	R23 F25 Q67 Y73 E74 V75	R23-E71 IonicContact CZ-OE1 2.59Å; R23-E71 IonicContact CZ-OE2 3.8Å; R23-E71 IonicContact NH1-OE2 3.26Å; R23-E71 PolarHBondContact NH1-OE2 2.94Å; R23-E71 IonicContact NH2-OE1 3.42Å; R23-E71 PolarHBondContact NH2-OE1 2.92Å; R23-E71 IonicContact NH2-OE2 2.79Å; R23-E71 PolarHBondContact NH2-OE2 3.22Å; F25-E71 HydrophobicContact CE1-CG 4.28Å; F25-E71 HydrophobicContact CZ-CG 4.13Å; Q67-E71 PolarHBondContact O-N 3.17Å; E71-Y73 VanDerWaalsContact C-N 3.29Å; E71-Y73 PolarHBondContact O-N 2.91Å; E71-E74 PolarHBondContact O-N 3.01Å; E71-V75 WeakPolarHBondContact O-CG2 3.35Å; E71-V75 PolarHBondContact O-N 2.83Å; E71-V75 VanDerWaalsContact O-N 3.08Å
72	A	93.5	Very high	89.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.7	-42.6	175.7	0	0	0	0	0	111.9	F25 I28 L29 D68 L76	F25-A72 HydrophobicContact CB-CB 3.7Å; F25-A72 HydrophobicContact CD1-CB 3.65Å; F25-A72 HydrophobicContact CG-CB 3.85Å; I28-A72 HydrophobicContact CB-CB 4.27Å; I28-A72 HydrophobicContact CG2-CB 3.97Å; L29-A72 HydrophobicContact CD1-CB 4.25Å; L29-A72 HydrophobicContact CD2-CB 4.29Å; L29-A72 HydrophobicContact CG-CB 3.85Å; D68-A72 VanDerWaalsContact O-CB 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 3.49Å; A72-L76 VanDerWaalsContact O-CB 3.26Å; A72-L76 WeakPolarHBondContact O-CB 3.02Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 2.91Å
73	Y	93	Very high	90.1	Very high	53 Å²	53	68 Å²	68	21%	0.208	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-40.6	177.2	175.8	-106.2	0	0	0	112.8	I40 K41 Y44 I69 N70 E71 V75 L76 S77	I40-Y73 HydrophobicContact CG2-CD2 4Å; I40-Y73 HydrophobicContact CG2-CE2 4.43Å; K41-Y73 HydrophobicContact CB-CE2 4.1Å; K41-Y73 HydrophobicContact CG-CE2 4.2Å; Y44-Y73 AromaticContact CD1-CD1 3.84Å; Y44-Y73 HydrophobicContact CD1-CD1 3.84Å; Y44-Y73 AromaticContact CD1-CD2 3.99Å; Y44-Y73 HydrophobicContact CD1-CD2 3.99Å; Y44-Y73 HydrophobicContact CD1-CE1 4.02Å; Y44-Y73 HydrophobicContact CD1-CE2 4.17Å; Y44-Y73 AromaticContact CD1-CG 3.82Å; Y44-Y73 HydrophobicContact CD1-CG 3.82Å; Y44-Y73 HydrophobicContact CD2-CD1 4.06Å; Y44-Y73 HydrophobicContact CD2-CD2 4.22Å; Y44-Y73 AromaticContact CD2-CG 3.61Å; Y44-Y73 HydrophobicContact CD2-CG 3.61Å; Y44-Y73 AromaticContact CE1-CD1 3.88Å; Y44-Y73 HydrophobicContact CE1-CD1 3.88Å; Y44-Y73 HydrophobicContact CE1-CE1 4.06Å; Y44-Y73 HydrophobicContact CE1-CG 4.28Å; Y44-Y73 HydrophobicContact CE2-CD1 4.11Å; Y44-Y73 HydrophobicContact CE2-CG 4.1Å; Y44-Y73 AromaticContact CG-CD1 3.93Å; Y44-Y73 HydrophobicContact CG-CD1 3.93Å; Y44-Y73 AromaticContact CG-CD2 3.64Å; Y44-Y73 HydrophobicContact CG-CD2 3.64Å; Y44-Y73 HydrophobicContact CG-CE1 4.5Å; Y44-Y73 HydrophobicContact CG-CE2 4.26Å; Y44-Y73 AromaticContact CG-CG 3.46Å; Y44-Y73 HydrophobicContact CG-CG 3.46Å; Y44-Y73 VanDerWaalsContact CG-CG 3.46Å; I69-Y73 WeakPolarHBondContact O-CB 3.42Å; I69-Y73 PolarHBondContact O-N 2.95Å; N70-Y73 PolarHBondContact O-N 2.75Å; E71-Y73 VanDerWaalsContact C-N 3.29Å; E71-Y73 PolarHBondContact O-N 2.91Å; Y73-V75 VanDerWaalsContact C-N 3.26Å; Y73-V75 PolarHBondContact O-N 2.76Å; Y73-L76 PolarHBondContact O-N 3.05Å; Y73-S77 WeakPolarHBondContact O-CB 3.48Å; Y73-S77 PolarHBondContact O-N 2.8Å; Y73-S77 PolarHBondContact O-OG 2.93Å
74	E	90.9	Very high	90.2	Very high	117 Å²	117	65.4 Å²	65.4	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-38.9	177.4	-77.2	-158.9	171.4	0	0	112.6	N70 E71 S77	N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 2.66Å; E71-E74 PolarHBondContact O-N 3.01Å; E74-S77 PolarHBondContact O-OG 2.82Å
75	V	93	Very high	90.3	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-73	-55.2	177.2	173.1	0	0	0	0	110.5	F25 E71 Y73 S77 K78 K81 R82 Y85 L93	F25-V75 HydrophobicContact CD2-CB 3.95Å; F25-V75 HydrophobicContact CD2-CG1 3.81Å; F25-V75 HydrophobicContact CD2-CG2 4.23Å; F25-V75 HydrophobicContact CE2-CB 3.92Å; F25-V75 HydrophobicContact CE2-CG1 3.9Å; F25-V75 HydrophobicContact CE2-CG2 3.69Å; F25-V75 HydrophobicContact CZ-CG2 4.32Å; E71-V75 WeakPolarHBondContact O-CG2 3.35Å; E71-V75 PolarHBondContact O-N 2.83Å; E71-V75 VanDerWaalsContact O-N 3.08Å; Y73-V75 VanDerWaalsContact C-N 3.26Å; Y73-V75 PolarHBondContact O-N 2.76Å; V75-S77 VanDerWaalsContact C-N 3.27Å; V75-S77 PolarHBondContact O-N 2.92Å; V75-K78 PolarHBondContact O-N 3.33Å; V75-K81 HydrophobicContact CG1-CB 4.27Å; V75-K81 WeakPolarHBondContact O-CB 3.34Å; V75-R82 PolarHBondContact O-N 3.28Å; V75-Y85 HydrophobicContact CG1-CD2 4.41Å; V75-Y85 HydrophobicContact CG1-CG 3.97Å; V75-L93 HydrophobicContact CB-CD1 4.25Å; V75-L93 HydrophobicContact CG1-CD1 3.61Å; V75-L93 HydrophobicContact CG1-CD2 4.08Å; V75-L93 HydrophobicContact CG1-CG 4.48Å; V75-L93 HydrophobicContact CG2-CD1 3.6Å; V75-L93 HydrophobicContact CG2-CD2 4.15Å
76	L	93.7	Very high	90.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.7	-15.5	-172.2	-65	178.3	0	0	0	113.9	F25 Y26 L29 I40 A72 Y73 R82 Y85	F25-L76 HydrophobicContact CB-CD1 3.74Å; F25-L76 HydrophobicContact CB-CG 4.06Å; Y26-L76 HydrophobicContact CD1-CD1 3.93Å; Y26-L76 HydrophobicContact CD1-CD2 4.31Å; Y26-L76 HydrophobicContact CD2-CD2 4.47Å; Y26-L76 HydrophobicContact CE1-CD1 4.1Å; Y26-L76 HydrophobicContact CE1-CD2 3.72Å; Y26-L76 HydrophobicContact CE2-CD2 3.93Å; Y26-L76 HydrophobicContact CG-CD1 4.26Å; L29-L76 HydrophobicContact CD1-CD1 3.87Å; I40-L76 HydrophobicContact CD1-CB 4.18Å; I40-L76 HydrophobicContact CG2-CB 3.97Å; A72-L76 VanDerWaalsContact O-CB 3.26Å; A72-L76 WeakPolarHBondContact O-CB 3.02Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 2.91Å; Y73-L76 PolarHBondContact O-N 3.05Å; L76-R82 HydrophobicContact CD2-CG 4.03Å; L76-Y85 HydrophobicContact CD2-CD1 4.02Å; L76-Y85 HydrophobicContact CD2-CE1 4.31Å
77	S	90	Very high	90.2	Very high	34 Å²	34	63.7 Å²	63.7	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-79.8	-25.3	177.9	62.6	0	0	0	0	114.2	Y73 E74 V75	Y73-S77 WeakPolarHBondContact O-CB 3.48Å; Y73-S77 PolarHBondContact O-N 2.8Å; Y73-S77 PolarHBondContact O-OG 2.93Å; E74-S77 PolarHBondContact O-OG 2.82Å; V75-S77 VanDerWaalsContact C-N 3.27Å; V75-S77 PolarHBondContact O-N 2.92Å
78	K	90.5	Very high	90	Very high	119 Å²	119	63 Å²	63	52%	0.517	30%	0.301	S	S	.	.	S	Bend	trans	-101.3	128.9	179.2	-65.2	-174.7	179.6	-176.7	0	109.8	V75 D80 K81 R82	V75-K78 PolarHBondContact O-N 3.33Å; K78-D80 VanDerWaalsContact C-N 3.3Å; K78-D80 PolarHBondContact O-N 2.86Å; K78-K81 HydrophobicContact CB-CB 4.17Å; K78-K81 HydrophobicContact CB-CG 4.29Å; K78-K81 HydrophobicContact CD-CD 4.23Å; K78-K81 HydrophobicContact CD-CG 4.45Å; K78-K81 PolarHBondContact O-N 3.13Å; K78-R82 VanDerWaalsContact O-CB 3.28Å; K78-R82 WeakPolarHBondContact O-CB 3.02Å; K78-R82 PolarHBondContact O-N 3.31Å
79	D	88.8	Confident	89.8	Confident	92 Å²	92	61.7 Å²	61.7	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-42.5	-177.2	-67.9	-34.6	0	0	0	111.9	K37 R82 K83	K37-D79 VanDerWaalsContact CE-CG 3.42Å; K37-D79 WeakPolarHBondContact CE-OD1 3.28Å; K37-D79 WeakPolarHBondContact CE-OD2 3.22Å; K37-D79 IonicContact NZ-OD1 2.73Å; K37-D79 PolarHBondContact NZ-OD1 3.13Å; K37-D79 IonicContact NZ-OD2 3.4Å; K37-D79 PolarHBondContact NZ-OD2 3.44Å; D79-R82 PolarHBondContact O-N 2.8Å; D79-K83 WeakPolarHBondContact O-CB 3.29Å; D79-K83 PolarHBondContact O-N 3.28Å
80	D	86.2	Confident	89.4	Confident	137 Å²	137	62.1 Å²	62.1	73%	0.733	30%	0.3	S	S	*	.	H	α-helix	trans	-65.5	-45.2	-178	-48.9	-41.8	0	0	0	111.8	K78 K83 L84	K78-D80 VanDerWaalsContact C-N 3.3Å; K78-D80 PolarHBondContact O-N 2.86Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-L84 WeakPolarHBondContact O-CB 3.38Å; D80-L84 PolarHBondContact O-N 3.4Å
81	K	89.5	Confident	88.7	Confident	74 Å²	74	65.5 Å²	65.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-39.4	177.3	-70.4	-165.8	173.6	-167.7	0	111.7	V75 K78 L84 Y85 L93	V75-K81 HydrophobicContact CG1-CB 4.27Å; V75-K81 WeakPolarHBondContact O-CB 3.34Å; K78-K81 HydrophobicContact CB-CB 4.17Å; K78-K81 HydrophobicContact CB-CG 4.29Å; K78-K81 HydrophobicContact CD-CD 4.23Å; K78-K81 HydrophobicContact CD-CG 4.45Å; K78-K81 PolarHBondContact O-N 3.13Å; K81-L84 PolarHBondContact O-N 3.24Å; K81-Y85 VanDerWaalsContact O-CB 3.32Å; K81-Y85 WeakPolarHBondContact O-CB 3.41Å; K81-Y85 PolarHBondContact O-N 3.03Å; K81-L93 HydrophobicContact CB-CD2 4.26Å
82	R	92.5	Very high	87.9	Confident	36 Å²	36	63 Å²	63	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-45.2	175.7	-179.1	177.4	-179.9	172.7	3.5	111	Y26 R33 A35 V75 L76 K78 D79 L84 Y85 D86	Y26-R82 PolarHBondContact OH-NE 3.18Å; R33-R82 PolarHBondContact O-NH2 3.47Å; A35-R82 VanDerWaalsContact O-CZ 3.31Å; A35-R82 PolarHBondContact O-NH1 3.16Å; A35-R82 PolarHBondContact O-NH2 3.16Å; V75-R82 PolarHBondContact O-N 3.28Å; L76-R82 HydrophobicContact CD2-CG 4.03Å; K78-R82 VanDerWaalsContact O-CB 3.28Å; K78-R82 WeakPolarHBondContact O-CB 3.02Å; K78-R82 PolarHBondContact O-N 3.31Å; D79-R82 PolarHBondContact O-N 2.8Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.4Å; R82-Y85 PolarHBondContact O-N 3Å; R82-D86 IonicContact NE-OD2 3.96Å; R82-D86 WeakPolarHBondContact O-CB 3.21Å; R82-D86 PolarHBondContact O-N 3.38Å
83	K	87.5	Confident	87	Confident	117 Å²	117	64 Å²	64	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176	-171.4	-178.4	-180	-174	0	110.9	D79 D80 D86 Q87	D79-K83 WeakPolarHBondContact O-CB 3.29Å; D79-K83 PolarHBondContact O-N 3.28Å; D80-K83 PolarHBondContact O-N 3.34Å; K83-D86 PolarHBondContact O-N 2.87Å; K83-Q87 VanDerWaalsContact O-CB 3.32Å; K83-Q87 WeakPolarHBondContact O-CB 3.22Å; K83-Q87 PolarHBondContact O-N 3.29Å
84	L	86.1	Confident	85.8	Confident	39 Å²	39	66.2 Å²	66.2	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-44.5	178.1	-167.2	74.2	0	0	0	111.9	D80 K81 R82 Q87 Y88 G92 L93 H96	D80-L84 WeakPolarHBondContact O-CB 3.38Å; D80-L84 PolarHBondContact O-N 3.4Å; K81-L84 PolarHBondContact O-N 3.24Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.4Å; L84-Q87 PolarHBondContact O-N 3.01Å; L84-Y88 HydrophobicContact CD1-CD2 3.56Å; L84-Y88 HydrophobicContact CD1-CE2 3.77Å; L84-Y88 HydrophobicContact CG-CD2 4.18Å; L84-Y88 WeakPolarHBondContact O-CB 3.43Å; L84-Y88 PolarHBondContact O-N 3.32Å; L84-G92 WeakPolarHBondContact CD2-O 3.39Å; L84-L93 HydrophobicContact CD2-CD2 4.19Å; L84-H96 HydrophobicContact CD2-CB 4.43Å
85	Y	89.7	Confident	84.1	Confident	15 Å²	15	65.6 Å²	65.6	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-42.4	175.2	174.9	-101.8	0	0	0	112.9	R23 D24 F25 Y26 V75 L76 K81 R82 Q87 G89 L93	R23-Y85 PolarHBondContact O-OH 2.77Å; D24-Y85 VanDerWaalsContact CA-OH 3.25Å; D24-Y85 WeakPolarHBondContact CA-OH 3.43Å; D24-Y85 PolarHBondContact OD1-OH 3.08Å; F25-Y85 HydrophobicContact CB-CE1 4.13Å; F25-Y85 HydrophobicContact CB-CE2 4.36Å; F25-Y85 HydrophobicContact CD2-CD1 4.24Å; F25-Y85 AromaticContact CD2-CD2 3.42Å; F25-Y85 HydrophobicContact CD2-CD2 3.42Å; F25-Y85 VanDerWaalsContact CD2-CD2 3.42Å; F25-Y85 HydrophobicContact CD2-CE1 4.08Å; F25-Y85 AromaticContact CD2-CE2 3.22Å; F25-Y85 HydrophobicContact CD2-CE2 3.22Å; F25-Y85 AromaticContact CD2-CG 3.93Å; F25-Y85 HydrophobicContact CD2-CG 3.93Å; F25-Y85 AromaticContact CD2-CZ 3.6Å; F25-Y85 AromaticContact CE2-CD2 3.57Å; F25-Y85 HydrophobicContact CE2-CD2 3.57Å; F25-Y85 AromaticContact CE2-CE2 3.58Å; F25-Y85 HydrophobicContact CE2-CE2 3.58Å; F25-Y85 HydrophobicContact CE2-CG 4.35Å; F25-Y85 HydrophobicContact CG-CD2 4.48Å; F25-Y85 HydrophobicContact CG-CE1 4.49Å; F25-Y85 AromaticContact CG-CE2 3.9Å; F25-Y85 HydrophobicContact CG-CE2 3.9Å; F25-Y85 AromaticContact CG-CZ 3.92Å; F25-Y85 HydrophobicContact CZ-CE2 4.5Å; F25-Y85 PolarHBondContact N-OH 3.19Å; Y26-Y85 AromaticContact CD2-CE1 3.83Å; Y26-Y85 HydrophobicContact CD2-CE1 3.83Å; Y26-Y85 HydrophobicContact CE2-CD1 4.06Å; Y26-Y85 AromaticContact CE2-CE1 3.61Å; Y26-Y85 HydrophobicContact CE2-CE1 3.61Å; V75-Y85 HydrophobicContact CG1-CD2 4.41Å; V75-Y85 HydrophobicContact CG1-CG 3.97Å; L76-Y85 HydrophobicContact CD2-CD1 4.02Å; L76-Y85 HydrophobicContact CD2-CE1 4.31Å; K81-Y85 VanDerWaalsContact O-CB 3.32Å; K81-Y85 WeakPolarHBondContact O-CB 3.41Å; K81-Y85 PolarHBondContact O-N 3.03Å; R82-Y85 PolarHBondContact O-N 3Å; Y85-Q87 PolarHBondContact O-N 3.07Å; Y85-G89 WeakPolarHBondContact O-CA 3.45Å; Y85-G89 PolarHBondContact O-N 2.88Å; Y85-L93 HydrophobicContact CD2-CD1 3.73Å; Y85-L93 HydrophobicContact CG-CD1 4.26Å
86	D	89.9	Confident	82	Confident	82 Å²	82	70.2 Å²	70.2	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-30.4	178.7	-70.9	-21	0	0	0	111.6	Y26 R82 K83	Y26-D86 WeakPolarHBondContact CE2-OD1 3.46Å; Y26-D86 VanDerWaalsContact OH-CG 3.27Å; Y26-D86 PolarHBondContact OH-OD1 3.34Å; Y26-D86 PolarHBondContact OH-OD2 3.49Å; Y26-D86 VanDerWaalsContact OH-OD2 3.1Å; R82-D86 IonicContact NE-OD2 3.96Å; R82-D86 WeakPolarHBondContact O-CB 3.21Å; R82-D86 PolarHBondContact O-N 3.38Å; K83-D86 PolarHBondContact O-N 2.87Å
87	Q	84.6	Confident	79.6	Confident	111 Å²	111	72.5 Å²	72.5	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-85.1	-39	-179.7	-173.5	172	-6.2	0	0	113.3	K83 L84 Y85	K83-Q87 VanDerWaalsContact O-CB 3.32Å; K83-Q87 WeakPolarHBondContact O-CB 3.22Å; K83-Q87 PolarHBondContact O-N 3.29Å; L84-Q87 PolarHBondContact O-N 3.01Å; Y85-Q87 PolarHBondContact O-N 3.07Å
88	Y	85.1	Confident	77.3	Confident	114 Å²	114	77.9 Å²	77.9	45%	0.447	40%	0.396	S	S	.	.	H	α-helix	trans	-128.9	3.5	-168.4	-58	-71.5	0	0	0	114.6	L84 E91 G92	L84-Y88 HydrophobicContact CD1-CD2 3.56Å; L84-Y88 HydrophobicContact CD1-CE2 3.77Å; L84-Y88 HydrophobicContact CG-CD2 4.18Å; L84-Y88 WeakPolarHBondContact O-CB 3.43Å; L84-Y88 PolarHBondContact O-N 3.32Å; Y88-E91 VanDerWaalsContact O-CG 3.26Å; Y88-E91 WeakPolarHBondContact O-CG 3.38Å; Y88-E91 VanDerWaalsContact O-OE1 3.1Å; Y88-G92 PolarHBondContact O-N 3.23Å
89	G	86.7	Confident	74.7	Confident	21 Å²	21	81.1 Å²	81.1	22%	0.216	41%	0.413	C	S	.	.	H	α-helix	trans	69.5	-161.5	-178.2	0	0	0	0	0	114.5	Y85 E91 G92	Y85-G89 WeakPolarHBondContact O-CA 3.45Å; Y85-G89 PolarHBondContact O-N 2.88Å; G89-E91 VanDerWaalsContact C-N 3.35Å; G89-G92 PolarHBondContact O-N 3.16Å
90	E	83.2	Confident	72.4	Confident	16 Å²	16	81.3 Å²	81.3	8%	0.075	41%	0.414	C	S	.	.	H	α-helix	trans	-67.6	-36.8	179.6	-172.7	-171.8	162.1	0	0	111.5	R23 F25 G92 L93 K94	R23-E90 VanDerWaalsContact CB-OE2 3.3Å; R23-E90 WeakPolarHBondContact CB-OE2 3.28Å; R23-E90 WeakPolarHBondContact CG-OE2 3.48Å; R23-E90 IonicContact CZ-OE1 3.17Å; R23-E90 PolarHBondContact N-OE2 3Å; R23-E90 IonicContact NE-OE1 2.74Å; R23-E90 PolarHBondContact NE-OE1 3.46Å; R23-E90 VanDerWaalsContact NE-OE1 3.14Å; R23-E90 IonicContact NE-OE2 3.14Å; R23-E90 PolarHBondContact NE-OE2 2.8Å; R23-E90 IonicContact NH2-OE1 2.76Å; R23-E90 PolarHBondContact NH2-OE1 2.8Å; F25-E90 HydrophobicContact CZ-CG 4.23Å; E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 3.46Å; E90-L93 WeakPolarHBondContact O-CB 3.17Å; E90-L93 PolarHBondContact O-N 2.74Å; E90-K94 PolarHBondContact O-N 2.83Å; E90-K94 VanDerWaalsContact OE1-CE 3.32Å; E90-K94 WeakPolarHBondContact OE1-CE 3.42Å; E90-K94 IonicContact OE1-NZ 3.72Å; E90-K94 PolarHBondContact OE1-NZ 2.82Å
91	E	77.1	Confident	70	Confident	125 Å²	125	85.5 Å²	85.5	58%	0.584	43%	0.426	S	S	*	.	H	α-helix	trans	-59.4	-37	177.7	58.8	-83.6	-163.6	0	0	112.6	Y88 G89 L93 K94 S95	Y88-E91 VanDerWaalsContact O-CG 3.26Å; Y88-E91 WeakPolarHBondContact O-CG 3.38Å; Y88-E91 VanDerWaalsContact O-OE1 3.1Å; G89-E91 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 2.86Å; E91-K94 PolarHBondContact O-N 2.87Å; E91-S95 PolarHBondContact O-N 2.86Å; E91-S95 VanDerWaalsContact O-N 3.13Å
92	G	73.8	Confident	67.6	Low	12 Å²	12	86.9 Å²	86.9	12%	0.124	44%	0.437	C	S	.	.	H	α-helix	trans	-63.3	-29.9	174.2	0	0	0	0	0	113.5	L84 Y88 G89 E90	L84-G92 WeakPolarHBondContact CD2-O 3.39Å; Y88-G92 PolarHBondContact O-N 3.23Å; G89-G92 PolarHBondContact O-N 3.16Å; E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 3.46Å
93	L	75.7	Confident	65.2	Low	21 Å²	21	90.6 Å²	90.6	11%	0.11	47%	0.466	C	S	.	.	H	α-helix	trans	-80.7	-36.5	176.2	-66.4	159.9	0	0	0	112.4	F25 V75 K81 L84 Y85 E90 E91 S95 H96 G97	F25-L93 HydrophobicContact CD2-CD1 4.42Å; F25-L93 HydrophobicContact CE2-CD1 3.49Å; F25-L93 VanDerWaalsContact CE2-CD1 3.49Å; F25-L93 HydrophobicContact CZ-CD1 4.28Å; V75-L93 HydrophobicContact CB-CD1 4.25Å; V75-L93 HydrophobicContact CG1-CD1 3.61Å; V75-L93 HydrophobicContact CG1-CD2 4.08Å; V75-L93 HydrophobicContact CG1-CG 4.48Å; V75-L93 HydrophobicContact CG2-CD1 3.6Å; V75-L93 HydrophobicContact CG2-CD2 4.15Å; K81-L93 HydrophobicContact CB-CD2 4.26Å; L84-L93 HydrophobicContact CD2-CD2 4.19Å; Y85-L93 HydrophobicContact CD2-CD1 3.73Å; Y85-L93 HydrophobicContact CG-CD1 4.26Å; E90-L93 WeakPolarHBondContact O-CB 3.17Å; E90-L93 PolarHBondContact O-N 2.74Å; E91-L93 PolarHBondContact O-N 2.86Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-H96 CarbonylContact O-C 3.57Å; L93-H96 VanDerWaalsContact O-CA 3.27Å; L93-H96 WeakPolarHBondContact O-CA 3.43Å; L93-H96 WeakPolarHBondContact O-CB 3.48Å; L93-H96 PolarHBondContact O-N 2.87Å; L93-G97 WeakPolarHBondContact O-CA 3.24Å; L93-G97 PolarHBondContact O-N 3.39Å
94	K	67.7	Low	63.6	Low	101 Å²	101	94.1 Å²	94.1	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-65.2	-36.7	177.5	-78.4	176.1	165.8	161.2	0	112.1	E90 E91 H96 G97	E90-K94 PolarHBondContact O-N 2.83Å; E90-K94 VanDerWaalsContact OE1-CE 3.32Å; E90-K94 WeakPolarHBondContact OE1-CE 3.42Å; E90-K94 IonicContact OE1-NZ 3.72Å; E90-K94 PolarHBondContact OE1-NZ 2.82Å; E91-K94 PolarHBondContact O-N 2.87Å; K94-H96 PolarHBondContact O-N 3.24Å; K94-G97 PolarHBondContact O-N 3.35Å; K94-G97 VanDerWaalsContact O-N 3.16Å
95	S	56.1	Low	61.5	Low	103 Å²	103	93.9 Å²	93.9	72%	0.72	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.3	168.6	-168.9	0	0	0	0	113.3	E91 L93	E91-S95 PolarHBondContact O-N 2.86Å; E91-S95 VanDerWaalsContact O-N 3.13Å; L93-S95 VanDerWaalsContact C-N 3.33Å
96	H	47.7	Very low	59.6	Low	105 Å²	105	102.9 Å²	102.9	49%	0.486	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	6.4	177.7	-87.2	-68.9	0	0	0	114.2	L84 L93 K94	L84-H96 HydrophobicContact CD2-CB 4.43Å; L93-H96 CarbonylContact O-C 3.57Å; L93-H96 VanDerWaalsContact O-CA 3.27Å; L93-H96 WeakPolarHBondContact O-CA 3.43Å; L93-H96 WeakPolarHBondContact O-CB 3.48Å; L93-H96 PolarHBondContact O-N 2.87Å; K94-H96 PolarHBondContact O-N 3.24Å
97	G	44.2	Very low	57.9	Low	49 Å²	49	103.1 Å²	103.1	51%	0.505	54%	0.541	S	S	.	.	S	Bend	trans	-173.4	66	-164.3	0	0	0	0	0	115	L93 K94	L93-G97 WeakPolarHBondContact O-CA 3.24Å; L93-G97 PolarHBondContact O-N 3.39Å; K94-G97 PolarHBondContact O-N 3.35Å; K94-G97 VanDerWaalsContact O-N 3.16Å
98	E	41.7	Very low	56.2	Low	147 Å²	147	107.8 Å²	107.8	69%	0.687	55%	0.554	S	S	*	*	S	Bend	trans	-167.8	80	147.4	-113.4	177.8	163.2	0	0	108.8
99	H	35	Very low	54.8	Low	186 Å²	186	106 Å²	106	86%	0.861	56%	0.562	S	S	*	*	S	Bend	trans	149.1	83.2	157.3	-80.8	-58.5	0	0	0	108.9
100	D	40.6	Very low	53.4	Low	97 Å²	97	108.8 Å²	108.8	52%	0.519	58%	0.577	S	S	.	*			trans	-164.8	61.1	149.3	-99.8	-19.9	0	0	0	111	N102	D100-N102 PolarHBondContact O-N 2.81Å; D100-N102 WeakPolarHBondContact OD1-CB 3.33Å; D100-N102 PolarHBondContact OD1-ND2 2.85Å
101	F	36.8	Very low	52.3	Low	224 Å²	224	116 Å²	116	98%	0.982	61%	0.611	S	S	*	*			trans	-80.5	52	138.4	-112.6	-82.3	0	0	0	108	P103	F101-P103 WeakPolarHBondContact O-CD 3.45Å
102	N	38.2	Very low	51.9	Low	103 Å²	103	117.2 Å²	117.2	55%	0.551	62%	0.617	S	S	*	*			trans	-81.9	121.5	161.3	-103.7	-39.7	0	0	0	106.6	D100 F104 G105	D100-N102 PolarHBondContact O-N 2.81Å; D100-N102 WeakPolarHBondContact OD1-CB 3.33Å; D100-N102 PolarHBondContact OD1-ND2 2.85Å; N102-F104 PolarHBondContact O-N 2.85Å; N102-G105 PolarHBondContact O-N 2.8Å
103	P	42.4	Very low	52.1	Low	115 Å²	115	122 Å²	122	75%	0.747	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-3.2	179.5	-22	32.8	0	0	0	114.8	F101	F101-P103 WeakPolarHBondContact O-CD 3.45Å
104	F	54.1	Low	52.6	Low	191 Å²	191	123.7 Å²	123.7	84%	0.838	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	16.2	175.8	-70.3	-82.5	0	0	0	113.5	N102	N102-F104 PolarHBondContact O-N 2.85Å
105	G	41.7	Very low	53.6	Low	33 Å²	33	125.3 Å²	125.3	34%	0.34	65%	0.651	S	S	.	*			trans	-92.9	100.9	-170.6	0	0	0	0	0	114.4	N102 A107	N102-G105 PolarHBondContact O-N 2.8Å; G105-A107 PolarHBondContact O-N 2.83Å
106	F	49.2	Very low	55.3	Low	205 Å²	205	121 Å²	121	90%	0.899	62%	0.623	S	S	*	*			trans	-67.8	105.3	165.6	-70.5	-94.8	0	0	0	109.5	R108	F106-R108 PolarHBondContact O-N 3.15Å
107	A	54.5	Low	57.5	Low	87 Å²	87	117.5 Å²	117.5	72%	0.719	62%	0.615	S	S	*	*			trans	-55.2	121.6	172.5	0	0	0	0	0	109.9	G105 A109	G105-A107 PolarHBondContact O-N 2.83Å; A107-A109 PolarHBondContact O-N 2.85Å
108	R	48.6	Very low	59.8	Low	209 Å²	209	119.5 Å²	119.5	79%	0.789	61%	0.614	S	S	*	*			trans	-67.6	106	174.2	-161.6	179.5	-176.4	104.9	1	107.4	F106 E111	F106-R108 PolarHBondContact O-N 3.15Å; R108-E111 IonicContact NH2-OE1 3.12Å
109	A	56.2	Low	62.3	Low	75 Å²	75	114.4 Å²	114.4	62%	0.62	59%	0.591	S	S	*	*			trans	-53.8	138.7	172.3	0	0	0	0	0	108.7	A107 E111	A107-A109 PolarHBondContact O-N 2.85Å; A109-E111 PolarHBondContact O-N 3.4Å
110	P	56.1	Low	65.2	Low	81 Å²	81	108.8 Å²	108.8	53%	0.526	57%	0.57	S	S	.	*			trans	-48.1	132.3	166	-21.1	30.6	0	0	0	108.4	E112	P110-E112 VanDerWaalsContact C-N 3.34Å; P110-E112 PolarHBondContact O-N 3.16Å
111	E	61.7	Low	67.8	Low	167 Å²	167	107 Å²	107	78%	0.78	56%	0.559	S	S	*	*			trans	-62.1	102.9	171.1	-78.6	177.8	-173.9	0	0	106.5	R108 A109 E113	R108-E111 IonicContact NH2-OE1 3.12Å; A109-E111 PolarHBondContact O-N 3.4Å; E111-E113 PolarHBondContact O-N 2.87Å; E111-E113 VanDerWaalsContact O-N 3.15Å
112	E	67.4	Low	70.6	Confident	151 Å²	151	99.7 Å²	99.7	71%	0.706	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-57	122.2	175.3	-72	-169.5	-154.7	0	0	107.8	P110 R115	P110-E112 VanDerWaalsContact C-N 3.34Å; P110-E112 PolarHBondContact O-N 3.16Å; E112-R115 IonicContact OE2-NH2 3.34Å; E112-R115 PolarHBondContact OE2-NH2 3.41Å; E112-R115 VanDerWaalsContact OE2-NH2 3.13Å
113	E	79	Confident	73.4	Confident	111 Å²	111	95.8 Å²	95.8	52%	0.519	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-52.4	136.5	171.2	-69.2	-178.9	177.6	0	0	108.6	E111 R115	E111-E113 PolarHBondContact O-N 2.87Å; E111-E113 VanDerWaalsContact O-N 3.15Å; E113-R115 WeakPolarHBondContact O-CG 3.36Å; E113-R115 PolarHBondContact O-N 2.88Å; E113-R115 VanDerWaalsContact O-N 3.09Å
114	P	86.3	Confident	75.9	Confident	57 Å²	57	98.1 Å²	98.1	37%	0.37	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-64.1	118.1	-176.5	27.6	-35.7	0	0	0	109.5	D218 G219 E220	P114-D218 HydrophobicContact CG-CB 4.09Å; P114-G219 CarbonylContact O-C 3.57Å; P114-G219 WeakPolarHBondContact O-CA 3.2Å; P114-E220 PolarHBondContact O-N 3.34Å
115	R	89.2	Confident	77.9	Confident	135 Å²	135	89 Å²	89	51%	0.509	46%	0.464	S	S	.	.			trans	-113	157.3	-177.6	-73.3	-178.8	-65.4	172.3	-0.3	111.6	E112 E113 H216 E220	E112-R115 IonicContact OE2-NH2 3.34Å; E112-R115 PolarHBondContact OE2-NH2 3.41Å; E112-R115 VanDerWaalsContact OE2-NH2 3.13Å; E113-R115 WeakPolarHBondContact O-CG 3.36Å; E113-R115 PolarHBondContact O-N 2.88Å; E113-R115 VanDerWaalsContact O-N 3.09Å; R115-H216 PolarHBondContact O-ND1 3.49Å; R115-E220 CarbonylContact C-O 3.13Å; R115-E220 WeakPolarHBondContact CA-O 3.43Å; R115-E220 HydrophobicContact CG-CB 4.27Å
116	G	91.4	Very high	80.5	Confident	13 Å²	13	89.2 Å²	89.2	13%	0.134	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-75.7	168.9	174.5	0	0	0	0	0	112.2	E214 E220 G222	G116-E214 WeakPolarHBondContact CA-O 3.34Å; G116-E220 PolarHBondContact N-O 2.81Å; G116-G222 WeakPolarHBondContact O-CA 3.35Å
117	G	92.3	Very high	82.7	Confident	31 Å²	31	79.5 Å²	79.5	32%	0.32	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-67.7	139.4	178.5	0	0	0	0	0	113	E214	G117-E214 PolarHBondContact O-N 2.73Å
118	D	94.1	Very high	84.6	Confident	91 Å²	91	78.6 Å²	78.6	49%	0.487	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-73.7	136	169	-86.1	14.1	0	0	0	110.7	D223 K225	D118-D223 CarbonylContact C-O 3.56Å; D118-D223 VanDerWaalsContact CA-O 3.3Å; D118-D223 WeakPolarHBondContact CA-O 3.43Å; D118-D223 PolarHBondContact OD1-N 2.85Å; D118-K225 IonicContact OD2-NZ 2.68Å; D118-K225 PolarHBondContact OD2-NZ 3.34Å
119	I	94.1	Very high	86.8	Confident	40 Å²	40	71.1 Å²	71.1	21%	0.205	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.8	178.1	-54.6	-178.1	0	0	0	109.9	M121 R140 E214 D223 L224 K225	I119-M121 HydrophobicContact CG2-CG 4.16Å; I119-R140 VanDerWaalsContact CD1-NH2 3.25Å; I119-E214 HydrophobicContact CD1-CG 3.6Å; I119-E214 HydrophobicContact CG1-CG 3.85Å; I119-D223 PolarHBondContact N-O 3.33Å; I119-L224 HydrophobicContact CB-CD1 3.96Å; I119-L224 HydrophobicContact CG2-CD1 3.93Å; I119-L224 CarbonylContact O-C 3.47Å; I119-L224 WeakPolarHBondContact O-CA 3.4Å; I119-K225 PolarHBondContact O-N 3Å
120	V	95.5	Very high	88.7	Confident	69 Å²	69	67.5 Å²	67.5	42%	0.418	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	171.6	179.9	0	0	0	0	109.5	F206 K225 R227	V120-F206 HydrophobicContact CG1-CD1 4.43Å; V120-F206 HydrophobicContact CG1-CE1 3.74Å; V120-K225 CarbonylContact C-O 3.6Å; V120-K225 VanDerWaalsContact CA-O 3.3Å; V120-K225 WeakPolarHBondContact CA-O 3.27Å; V120-K225 HydrophobicContact CG2-CB 4.45Å; V120-R227 HydrophobicContact CG1-CB 4.24Å
121	M	94.8	Very high	90.6	Very high	59 Å²	59	64.2 Å²	64.2	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.7	177.6	-72.6	177.3	55	0	0	111	I119 L224 K225 F226 R227	I119-M121 HydrophobicContact CG2-CG 4.16Å; M121-L224 HydrophobicContact CB-CD1 4.36Å; M121-L224 HydrophobicContact CG-CD1 3.82Å; M121-L224 HydrophobicContact SD-CD1 3.66Å; M121-L224 HydrophobicContact SD-CD2 4.39Å; M121-K225 PolarHBondContact N-O 3.39Å; M121-F226 HydrophobicContact CB-CD1 3.84Å; M121-F226 HydrophobicContact CB-CE1 3.96Å; M121-F226 HydrophobicContact CE-CE1 3.63Å; M121-F226 HydrophobicContact CE-CZ 4.23Å; M121-F226 CarbonylContact O-C 3.59Å; M121-F226 VanDerWaalsContact O-CA 3.25Å; M121-F226 WeakPolarHBondContact O-CA 3.39Å; M121-F226 HydrophobicContact SD-CE1 4.07Å; M121-F226 HydrophobicContact SD-CZ 4.35Å; M121-R227 PolarHBondContact O-N 2.87Å
122	D	96.4	Very high	92.1	Very high	70 Å²	70	60.6 Å²	60.6	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.8	173	-70.9	-24	0	0	0	110.4	R227 K229	D122-R227 WeakPolarHBondContact CA-O 3.25Å; D122-R227 WeakPolarHBondContact OD1-CD 3.26Å; D122-R227 IonicContact OD1-NE 3.2Å; D122-K229 HydrophobicContact CB-CD 4.06Å; D122-K229 VanDerWaalsContact CG-CE 3.43Å; D122-K229 WeakPolarHBondContact OD1-CE 3.28Å; D122-K229 IonicContact OD1-NZ 3.51Å; D122-K229 VanDerWaalsContact OD2-CE 3.24Å; D122-K229 WeakPolarHBondContact OD2-CE 3.35Å; D122-K229 IonicContact OD2-NZ 3.13Å; D122-K229 PolarHBondContact OD2-NZ 2.83Å
123	L	96	Very high	93.3	Very high	21 Å²	21	54.5 Å²	54.5	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.5	172.3	-175.6	65.4	0	0	0	109.2	V125 V136 V138 V195 F226 R227 I228 K229	L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4Å; L123-V136 HydrophobicContact CD1-CG1 4.11Å; L123-V136 HydrophobicContact CD2-CB 4.37Å; L123-V136 HydrophobicContact CD2-CG1 4.4Å; L123-V138 HydrophobicContact CD1-CG2 3.88Å; L123-V195 HydrophobicContact CD2-CB 3.96Å; L123-V195 HydrophobicContact CD2-CG1 3.83Å; L123-V195 HydrophobicContact CD2-CG2 4.04Å; L123-F226 HydrophobicContact CB-CB 4.38Å; L123-F226 HydrophobicContact CB-CD1 4.06Å; L123-R227 PolarHBondContact N-O 2.64Å; L123-I228 HydrophobicContact CB-CD1 4.22Å; L123-I228 HydrophobicContact CD2-CD1 3.83Å; L123-I228 HydrophobicContact CG-CD1 4.48Å; L123-K229 PolarHBondContact O-N 2.93Å
124	W	96	Very high	94	Very high	164 Å²	164	52.7 Å²	52.7	62%	0.621	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.5	177.1	-65.9	97.4	0	0	0	110.7	K229	W124-K229 CarbonylContact C-O 3.55Å; W124-K229 WeakPolarHBondContact CA-O 3.29Å; W124-K229 HydrophobicContact CD2-CB 3.98Å; W124-K229 HydrophobicContact CE3-CB 3.61Å; W124-K229 HydrophobicContact CE3-CD 4.49Å; W124-K229 HydrophobicContact CH2-CB 4.31Å; W124-K229 HydrophobicContact CH2-CD 3.78Å; W124-K229 HydrophobicContact CZ2-CD 3.79Å; W124-K229 HydrophobicContact CZ3-CB 3.8Å; W124-K229 HydrophobicContact CZ3-CD 4.14Å
125	V	95.7	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.1	-173.8	-179.6	0	0	0	0	109.3	L123 E129 L130 L197 I228 K229 K231	L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4Å; V125-E129 HydrophobicContact CG1-CB 3.64Å; V125-E129 WeakPolarHBondContact CG1-OE2 3.39Å; V125-L130 HydrophobicContact CB-CG 4.45Å; V125-L130 HydrophobicContact CG1-CD1 4.44Å; V125-L130 HydrophobicContact CG1-CD2 3.86Å; V125-L130 HydrophobicContact CG1-CG 3.72Å; V125-L197 HydrophobicContact CB-CD1 4.33Å; V125-L197 HydrophobicContact CG1-CD1 3.34Å; V125-L197 HydrophobicContact CG1-CD2 4.41Å; V125-L197 HydrophobicContact CG1-CG 4.46Å; V125-L197 HydrophobicContact CG2-CD1 3.94Å; V125-L197 HydrophobicContact CG2-CD2 3.96Å; V125-I228 HydrophobicContact CB-CG2 4.42Å; V125-I228 HydrophobicContact CG2-CG2 4.07Å; V125-K229 PolarHBondContact N-O 3.46Å; V125-K231 WeakPolarHBondContact O-CB 3.42Å; V125-K231 PolarHBondContact O-N 3.01Å
126	T	95.8	Very high	94.6	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.233	27%	0.269	C	S	.	.			trans	-82.8	165	179.2	83.2	0	0	0	0	112.7	E128 E129 L130 K231	T126-E128 VanDerWaalsContact C-N 3.31Å; T126-E128 WeakPolarHBondContact CB-OE2 3.46Å; T126-E128 PolarHBondContact O-N 3.02Å; T126-E128 PolarHBondContact OG1-OE2 2.8Å; T126-E129 PolarHBondContact N-OE2 2.74Å; T126-E129 PolarHBondContact O-N 2.86Å; T126-E129 WeakPolarHBondContact OG1-CG 3.44Å; T126-E129 PolarHBondContact OG1-N 2.95Å; T126-L130 WeakPolarHBondContact O-CG 3.29Å; T126-L130 PolarHBondContact O-N 2.68Å; T126-L130 VanDerWaalsContact O-N 3.13Å; T126-K231 HydrophobicContact CG2-CD 4.19Å
127	L	95	Very high	94.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-34.4	179.1	-79.4	-176.7	0	0	0	112.2	L130 Y131 Q230 H233 F236 R238 L265	L127-L130 CarbonylContact O-C 3.57Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-Y131 VanDerWaalsContact O-CB 3.31Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 2.89Å; L127-Q230 HydrophobicContact CD2-CG 3.92Å; L127-Q230 HydrophobicContact CG-CG 4.4Å; L127-H233 HydrophobicContact CD1-CB 3.59Å; L127-H233 HydrophobicContact CG-CB 4.13Å; L127-F236 HydrophobicContact CD1-CB 4.07Å; L127-R238 HydrophobicContact CD1-CB 4.35Å; L127-R238 HydrophobicContact CD2-CB 3.78Å; L127-R238 HydrophobicContact CD2-CG 4.42Å; L127-L265 HydrophobicContact CB-CD1 4.09Å; L127-L265 HydrophobicContact CB-CD2 3.83Å
128	E	95.2	Very high	94.9	Very high	67 Å²	67	53 Å²	53	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-46.2	176.2	-54.9	83.6	171.4	0	0	110.6	T126 L130 Y131 V132 H233 L265	T126-E128 VanDerWaalsContact C-N 3.31Å; T126-E128 WeakPolarHBondContact CB-OE2 3.46Å; T126-E128 PolarHBondContact O-N 3.02Å; T126-E128 PolarHBondContact OG1-OE2 2.8Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 3.14Å; E128-Y131 PolarHBondContact O-N 3.34Å; E128-Y131 VanDerWaalsContact O-N 3.13Å; E128-V132 PolarHBondContact O-N 2.75Å; E128-H233 IonicContact OE1-CD2 3.81Å; E128-H233 PolarHBondContact OE1-CD2 3.1Å; E128-H233 IonicContact OE1-NE2 2.9Å; E128-H233 PolarHBondContact OE1-NE2 2.72Å; E128-L265 HydrophobicContact CG-CD2 4Å
129	E	95.4	Very high	94.9	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-38.8	176	-67.9	177.4	142.3	0	0	111.9	V125 T126 Y131 G133 N134 L197	V125-E129 HydrophobicContact CG1-CB 3.64Å; V125-E129 WeakPolarHBondContact CG1-OE2 3.39Å; T126-E129 PolarHBondContact N-OE2 2.74Å; T126-E129 PolarHBondContact O-N 2.86Å; T126-E129 WeakPolarHBondContact OG1-CG 3.44Å; T126-E129 PolarHBondContact OG1-N 2.95Å; E129-Y131 VanDerWaalsContact C-N 3.32Å; E129-G133 WeakPolarHBondContact O-CA 3.33Å; E129-G133 PolarHBondContact O-N 2.96Å; E129-N134 HydrophobicContact CB-CB 4.3Å; E129-N134 HydrophobicContact CG-CB 4.34Å; E129-N134 PolarHBondContact OE1-ND2 2.59Å; E129-L197 HydrophobicContact CB-CD1 4.11Å
130	L	95.1	Very high	94.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72.9	-23.3	175.1	-67.2	172	0	0	0	113.1	V125 T126 L127 E128 P199 G200 M201 I228 M291	V125-L130 HydrophobicContact CB-CG 4.45Å; V125-L130 HydrophobicContact CG1-CD1 4.44Å; V125-L130 HydrophobicContact CG1-CD2 3.86Å; V125-L130 HydrophobicContact CG1-CG 3.72Å; T126-L130 WeakPolarHBondContact O-CG 3.29Å; T126-L130 PolarHBondContact O-N 2.68Å; T126-L130 VanDerWaalsContact O-N 3.13Å; L127-L130 CarbonylContact O-C 3.57Å; L127-L130 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 3.14Å; L130-P199 CarbonylContact O-C 3.55Å; L130-P199 WeakPolarHBondContact O-CA 3.37Å; L130-G200 PolarHBondContact O-N 3.06Å; L130-M201 HydrophobicContact CD2-CB 3.99Å; L130-I228 HydrophobicContact CD2-CG2 4.21Å; L130-M291 HydrophobicContact CB-CE 3.8Å
131	Y	95.7	Very high	94.8	Very high	11 Å²	11	57.2 Å²	57.2	4%	0.043	29%	0.287	C	S	.	.	H	α-helix	trans	-81.6	-50.1	179.5	-172.5	-86.1	0	0	0	111.3	L127 E128 E129 H264 L265 D266 G290 M291 R300	L127-Y131 VanDerWaalsContact O-CB 3.31Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 2.89Å; E128-Y131 PolarHBondContact O-N 3.34Å; E128-Y131 VanDerWaalsContact O-N 3.13Å; E129-Y131 VanDerWaalsContact C-N 3.32Å; Y131-H264 AromaticContact CE2-CE1 3.54Å; Y131-H264 AromaticContact CZ-CE1 3.87Å; Y131-H264 AromaticContact CZ-ND1 3.92Å; Y131-L265 HydrophobicContact CD1-CB 4.25Å; Y131-L265 HydrophobicContact CD2-CB 4.12Å; Y131-L265 HydrophobicContact CD2-CD1 3.84Å; Y131-L265 HydrophobicContact CG-CB 3.83Å; Y131-L265 HydrophobicContact CG-CD1 4.18Å; Y131-D266 HydrophobicContact CD1-CB 3.89Å; Y131-D266 HydrophobicContact CE1-CB 3.65Å; Y131-G290 WeakPolarHBondContact CE2-O 3.45Å; Y131-M291 HydrophobicContact CD2-SD 3.86Å; Y131-R300 PolarHBondContact OH-NH1 3.35Å; Y131-R300 VanDerWaalsContact OH-NH1 3.14Å
132	V	94.4	Very high	94.7	Very high	91 Å²	91	55.4 Å²	55.4	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-81.7	-32.9	-177.3	180	0	0	0	0	111.6	E128 D266	E128-V132 PolarHBondContact O-N 2.75Å; V132-D266 HydrophobicContact CG2-CB 4.26Å
133	G	92.6	Very high	94.6	Very high	23 Å²	23	56.1 Å²	56.1	24%	0.237	28%	0.281	C	S	.	.			trans	84.1	132.8	-165.1	0	0	0	0	0	110.8	E129 L197	E129-G133 WeakPolarHBondContact O-CA 3.33Å; E129-G133 PolarHBondContact O-N 2.96Å; G133-L197 WeakPolarHBondContact CA-O 3.28Å
134	N	92.9	Very high	94.4	Very high	73 Å²	73	57.2 Å²	57.2	39%	0.39	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.3	-178	-169.5	14.2	0	0	0	110	E129 L197	E129-N134 HydrophobicContact CB-CB 4.3Å; E129-N134 HydrophobicContact CG-CB 4.34Å; E129-N134 PolarHBondContact OE1-ND2 2.59Å; N134-L197 HydrophobicContact CB-CD1 4.42Å; N134-L197 PolarHBondContact N-O 2.96Å; N134-L197 WeakPolarHBondContact O-CA 3.28Å; N134-L197 WeakPolarHBondContact O-CB 3.3Å; N134-L197 WeakPolarHBondContact O-CG 3.15Å; N134-L197 PolarHBondContact O-N 2.93Å
135	S	93.6	Very high	94.2	Very high	71 Å²	71	53.8 Å²	53.8	50%	0.497	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.8	170.4	60.8	0	0	0	0	109.8	V195	S135-V195 CarbonylContact C-O 3.54Å; S135-V195 WeakPolarHBondContact CA-O 3.27Å
136	V	94.1	Very high	94	Very high	30 Å²	30	57.3 Å²	57.3	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.2	179	-178.3	0	0	0	0	109.6	L123 V138 V195 L197	L123-V136 HydrophobicContact CD1-CG1 4.11Å; L123-V136 HydrophobicContact CD2-CB 4.37Å; L123-V136 HydrophobicContact CD2-CG1 4.4Å; V136-V138 HydrophobicContact CG1-CG2 4.24Å; V136-V195 PolarHBondContact N-O 3.32Å; V136-V195 PolarHBondContact O-N 3.37Å; V136-L197 HydrophobicContact CG2-CD1 3.47Å; V136-L197 VanDerWaalsContact CG2-CD1 3.47Å; V136-L197 HydrophobicContact CG2-CG 4.11Å
137	K	95.3	Very high	93.8	Very high	122 Å²	122	60.8 Å²	60.8	53%	0.53	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.8	174.7	179.3	175.4	162	164.1	0	109.8	T192 Y194	K137-T192 HydrophobicContact CD-CG2 3.76Å; K137-T192 HydrophobicContact CG-CG2 3.5Å; K137-T192 VanDerWaalsContact CG-CG2 3.5Å; K137-Y194 HydrophobicContact CB-CD1 4.24Å; K137-Y194 HydrophobicContact CB-CE1 4.11Å; K137-Y194 HydrophobicContact CD-CE1 4.07Å; K137-Y194 HydrophobicContact CG-CD1 4.47Å; K137-Y194 HydrophobicContact CG-CE1 4.04Å
138	V	94.7	Very high	93.7	Very high	21 Å²	21	61.6 Å²	61.6	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.9	176.3	-176.4	0	0	0	0	109.3	L123 V136 L193 V195 F226	L123-V138 HydrophobicContact CD1-CG2 3.88Å; V136-V138 HydrophobicContact CG1-CG2 4.24Å; V138-L193 PolarHBondContact N-O 2.78Å; V138-L193 PolarHBondContact O-N 2.85Å; V138-V195 HydrophobicContact CG2-CG2 4.22Å; V138-F226 HydrophobicContact CB-CE1 4.39Å; V138-F226 HydrophobicContact CB-CZ 4.07Å; V138-F226 HydrophobicContact CG1-CE1 3.91Å; V138-F226 HydrophobicContact CG1-CZ 3.8Å; V138-F226 HydrophobicContact CG2-CE1 4.21Å; V138-F226 HydrophobicContact CG2-CZ 4.24Å
139	T	94.6	Very high	93.7	Very high	82 Å²	82	64 Å²	64	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.8	171.9	-55	0	0	0	0	109.3
140	R	93.1	Very high	93.6	Very high	29 Å²	29	64.3 Å²	64.3	11%	0.109	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.5	178.9	175	165.3	165.2	-96	4.4	110.5	I119 R191 E212 G213	I119-R140 VanDerWaalsContact CD1-NH2 3.25Å; R140-R191 PolarHBondContact N-O 2.84Å; R140-R191 PolarHBondContact O-N 2.71Å; R140-E212 PolarHBondContact NH1-O 2.85Å; R140-E212 PolarHBondContact NH2-O 3.25Å; R140-G213 PolarHBondContact NH2-O 3.36Å
141	R	93.7	Very high	93.4	Very high	177 Å²	177	69.4 Å²	69.4	67%	0.668	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.1	168.8	-171.1	178	-175.8	-168.6	-1	108.9	P188 E189	R141-P188 HydrophobicContact CG-CB 4.21Å; R141-E189 WeakPolarHBondContact CA-O 3.27Å
142	K	93.1	Very high	93.2	Very high	20 Å²	20	71.1 Å²	71.1	9%	0.087	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.5	178.6	73.6	176.5	-173.7	175.6	0	111	I144 P188 E189 E212	K142-I144 HydrophobicContact CG-CG2 4.27Å; K142-P188 CarbonylContact O-C 3.6Å; K142-P188 WeakPolarHBondContact O-CA 3.43Å; K142-E189 PolarHBondContact N-O 2.84Å; K142-E189 PolarHBondContact O-N 3.48Å; K142-E212 VanDerWaalsContact CD-OE2 3.32Å; K142-E212 WeakPolarHBondContact CD-OE2 3.3Å; K142-E212 WeakPolarHBondContact CE-OE2 3.29Å; K142-E212 IonicContact NZ-OE1 2.76Å; K142-E212 PolarHBondContact NZ-OE1 3.32Å; K142-E212 IonicContact NZ-OE2 3Å; K142-E212 PolarHBondContact NZ-OE2 2.94Å
143	L	94.2	Very high	93	Very high	85 Å²	85	74.2 Å²	74.2	45%	0.445	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.1	171.3	-66.1	177.5	0	0	0	108.8	F186 P188 P215	L143-F186 HydrophobicContact CB-CB 4.34Å; L143-F186 HydrophobicContact CD1-CB 4.47Å; L143-P188 HydrophobicContact CD2-CB 4.11Å; L143-P215 HydrophobicContact CB-CG 3.76Å; L143-P215 WeakPolarHBondContact O-CG 3.32Å
144	I	93	Very high	92.9	Very high	44 Å²	44	73.4 Å²	73.4	23%	0.226	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.6	173	54.8	158.5	0	0	0	110.8	K142 M146 F186 V187 E189	K142-I144 HydrophobicContact CG-CG2 4.27Å; I144-M146 HydrophobicContact CD1-CG 4Å; I144-M146 HydrophobicContact CD1-SD 4.18Å; I144-M146 HydrophobicContact CG1-CG 4.3Å; I144-M146 PolarHBondContact O-N 3.07Å; I144-F186 WeakPolarHBondContact O-CA 3.47Å; I144-V187 HydrophobicContact CG1-CB 4.44Å; I144-V187 WeakPolarHBondContact CG1-O 3.39Å; I144-V187 PolarHBondContact N-O 2.74Å; I144-V187 PolarHBondContact O-N 3.39Å; I144-E189 HydrophobicContact CD1-CB 4.1Å; I144-E189 HydrophobicContact CG1-CB 4Å; I144-E189 HydrophobicContact CG2-CB 4.16Å; I144-E189 VanDerWaalsContact CG2-OE2 3.23Å; I144-E189 WeakPolarHBondContact CG2-OE2 3.43Å
145	K	91.2	Very high	92.5	Very high	92 Å²	92	75.1 Å²	75.1	40%	0.4	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.7	173.7	178.8	-174.7	174.5	177.7	0	108.8	V184 F186 S217	K145-V184 HydrophobicContact CG-CB 4.12Å; K145-V184 HydrophobicContact CG-CG1 4.23Å; K145-F186 HydrophobicContact CB-CD1 4.41Å; K145-F186 HydrophobicContact CB-CE1 4.1Å; K145-F186 HydrophobicContact CG-CE1 4.5Å; K145-S217 WeakPolarHBondContact CE-O 3.38Å; K145-S217 PolarHBondContact NZ-O 2.9Å
146	M	90.5	Very high	92.4	Very high	74 Å²	74	74.4 Å²	74.4	37%	0.365	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.5	171.6	-61.9	-170.7	82.3	0	0	110.1	I144 V184 Q185 V187	I144-M146 HydrophobicContact CD1-CG 4Å; I144-M146 HydrophobicContact CD1-SD 4.18Å; I144-M146 HydrophobicContact CG1-CG 4.3Å; I144-M146 PolarHBondContact O-N 3.07Å; M146-V184 CarbonylContact O-C 3.53Å; M146-V184 WeakPolarHBondContact O-CA 3.42Å; M146-Q185 HydrophobicContact CB-CG 3.95Å; M146-Q185 PolarHBondContact N-O 2.92Å; M146-Q185 PolarHBondContact O-N 3.48Å; M146-V187 HydrophobicContact CG-CB 4.36Å; M146-V187 HydrophobicContact CG-CG2 4.19Å; M146-V187 HydrophobicContact SD-CB 3.76Å; M146-V187 HydrophobicContact SD-CG1 4.27Å; M146-V187 HydrophobicContact SD-CG2 3.56Å; M146-V187 VanDerWaalsContact SD-CG2 3.56Å
147	P	93.3	Very high	92.2	Very high	112 Å²	112	80.9 Å²	80.9	73%	0.727	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.7	172.4	27	-33.4	0	0	0	110.4	Q185	P147-Q185 PolarHBondContact O-NE2 3.38Å
148	A	93.1	Very high	92	Very high	18 Å²	18	80.4 Å²	80.4	15%	0.149	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.5	174.8	0	0	0	0	0	109.7	N183 Q185	A148-N183 HydrophobicContact CB-CB 4.38Å; A148-N183 PolarHBondContact N-O 3.03Å; A148-N183 VanDerWaalsContact O-O 3.13Å; A148-Q185 HydrophobicContact CB-CB 4.01Å; A148-Q185 HydrophobicContact CB-CG 4.03Å
149	P	93.9	Very high	91.8	Very high	118 Å²	118	82.8 Å²	82.8	77%	0.766	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	150.2	176.5	27.2	-34.5	0	0	0	111.7	N183	P149-N183 WeakPolarHBondContact O-CB 3.43Å; P149-N183 PolarHBondContact O-ND2 2.9Å
150	G	93	Very high	91.7	Very high	58 Å²	58	84.7 Å²	84.7	60%	0.598	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	95.1	-178.2	178.9	0	0	0	0	0	114.4	N183	G150-N183 WeakPolarHBondContact O-CB 3.25Å; G150-N183 PolarHBondContact O-N 3.22Å
151	T	92.5	Very high	91.6	Very high	107 Å²	107	89.6 Å²	89.6	66%	0.656	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.2	175.1	55.2	0	0	0	0	110.3	C181	T151-C181 CarbonylContact C-O 3.6Å; T151-C181 WeakPolarHBondContact CA-O 3.31Å
152	R	90.9	Very high	91.5	Very high	46 Å²	46	84.7 Å²	84.7	17%	0.174	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.6	174.2	68.1	176.3	-177.5	91.6	-11.9	110.4	C181 P182 S217 D218	R152-C181 HydrophobicContact CG-CB 4.19Å; R152-C181 PolarHBondContact N-O 2.78Å; R152-C181 PolarHBondContact O-N 2.94Å; R152-P182 PolarHBondContact NE-O 3.22Å; R152-S217 VanDerWaalsContact NH2-CB 3.28Å; R152-S217 PolarHBondContact NH2-O 3.27Å; R152-S217 VanDerWaalsContact NH2-O 3.08Å; R152-S217 PolarHBondContact NH2-OG 3.18Å; R152-D218 IonicContact CZ-OD1 3.33Å; R152-D218 VanDerWaalsContact CZ-OD1 3.26Å; R152-D218 IonicContact CZ-OD2 2.75Å; R152-D218 IonicContact NH1-OD1 2.82Å; R152-D218 PolarHBondContact NH1-OD1 3.14Å; R152-D218 IonicContact NH1-OD2 3.97Å; R152-D218 PolarHBondContact NH1-OD2 3.29Å; R152-D218 IonicContact NH2-OD1 2.93Å; R152-D218 PolarHBondContact NH2-OD1 3.43Å; R152-D218 IonicContact NH2-OD2 2.78Å; R152-D218 PolarHBondContact NH2-OD2 3.14Å
153	K	90.7	Very high	91.4	Very high	157 Å²	157	86.1 Å²	86.1	68%	0.683	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.8	172.6	-65.2	-174.7	178.1	-173.4	0	110	C178 S179	K153-C178 HydrophobicContact CB-CB 3.83Å; K153-C178 HydrophobicContact CD-CB 4.32Å; K153-C178 HydrophobicContact CG-CB 4.21Å; K153-S179 WeakPolarHBondContact CA-O 3.26Å
154	C	88.8	Confident	91.2	Very high	5 Å²	5	86.2 Å²	86.2	3%	0.034	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.3	179.1	63.1	0	0	0	0	110.2	C156 S179 C181	C154-C156 PolarHBondContact O-N 3.34Å; C154-S179 PolarHBondContact N-O 2.82Å; C154-S179 PolarHBondContact O-N 3.29Å; C154-S179 PolarHBondContact SG-O 2.86Å; C154-C181 HydrophobicContact CB-CB 3.71Å; C154-C181 WeakPolarHBondContact CB-SG 3.44Å; C154-C181 WeakPolarHBondContact SG-CB 3.44Å; C154-C181 CovalentContact SG-SG 2.02Å; C154-C181 PolarHBondContact SG-SG 2.84Å
155	N	86.4	Confident	91.1	Very high	110 Å²	110	88.6 Å²	88.6	59%	0.588	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.8	40.4	174.9	-61.9	-19.4	0	0	0	113.8	R157	N155-R157 PolarHBondContact O-N 3.01Å
156	C	89.5	Confident	91.1	Very high	56 Å²	56	85.3 Å²	85.3	38%	0.378	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.3	-176	-62.8	0	0	0	0	110.9	C154 Q176 V177 C178	C154-C156 PolarHBondContact O-N 3.34Å; C156-Q176 HydrophobicContact CB-CG 4.03Å; C156-Q176 VanDerWaalsContact CB-NE2 3.31Å; C156-V177 WeakPolarHBondContact CA-O 3.48Å; C156-C178 HydrophobicContact CB-CB 4.06Å; C156-C178 WeakPolarHBondContact CB-SG 3.46Å; C156-C178 WeakPolarHBondContact SG-CB 3.23Å; C156-C178 CovalentContact SG-SG 2.04Å; C156-C178 PolarHBondContact SG-SG 2.89Å
157	R	90.1	Very high	91.1	Very high	166 Å²	166	88.1 Å²	88.1	63%	0.626	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.3	175.5	66.1	-175.9	-171.1	-174.7	2.7	110.8	N155 E159 V177	N155-R157 PolarHBondContact O-N 3.01Å; R157-E159 HydrophobicContact CG-CG 4.22Å; R157-E159 IonicContact CZ-OE1 2.72Å; R157-E159 IonicContact NE-OE1 2.73Å; R157-E159 PolarHBondContact NE-OE1 3.4Å; R157-E159 IonicContact NH2-OE1 2.7Å; R157-E159 PolarHBondContact NH2-OE1 3.06Å; R157-V177 PolarHBondContact N-O 3.15Å; R157-V177 PolarHBondContact O-N 3.08Å
158	M	91.3	Very high	90.9	Very high	112 Å²	112	86.1 Å²	86.1	55%	0.552	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.1	175.4	-59.8	-58	-63.3	0	0	109	Q174 Q176	M158-Q174 HydrophobicContact CE-CB 3.64Å; M158-Q176 HydrophobicContact SD-CB 3.85Å; M158-Q176 HydrophobicContact SD-CG 4.04Å
159	E	91.8	Very high	90.9	Very high	70 Å²	70	93 Å²	93	33%	0.327	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.2	174.3	-63.1	-171.2	-173.2	0	0	109.9	R157 R161 Q174 E175 V177	R157-E159 HydrophobicContact CG-CG 4.22Å; R157-E159 IonicContact CZ-OE1 2.72Å; R157-E159 IonicContact NE-OE1 2.73Å; R157-E159 PolarHBondContact NE-OE1 3.4Å; R157-E159 IonicContact NH2-OE1 2.7Å; R157-E159 PolarHBondContact NH2-OE1 3.06Å; E159-R161 PolarHBondContact O-N 3.03Å; E159-Q174 WeakPolarHBondContact O-CA 3.3Å; E159-E175 PolarHBondContact N-O 3.46Å; E159-E175 PolarHBondContact O-N 3.44Å; E159-V177 HydrophobicContact CB-CG2 4.11Å; E159-V177 HydrophobicContact CG-CB 4.24Å; E159-V177 HydrophobicContact CG-CG2 3.98Å
160	L	92.3	Very high	90.8	Very high	123 Å²	123	93.6 Å²	93.6	64%	0.644	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.1	172.2	-74.1	169.7	0	0	0	108.9	Q174	L160-Q174 HydrophobicContact CD2-CG 3.74Å
161	R	91	Very high	90.8	Very high	132 Å²	132	95.7 Å²	95.7	50%	0.498	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.3	175.6	-166.4	174.5	-179.9	-167.9	1.5	110.9	E159 M172 H173 E175	E159-R161 PolarHBondContact O-N 3.03Å; R161-M172 WeakPolarHBondContact O-CA 3.24Å; R161-H173 PolarHBondContact N-O 3.05Å; R161-H173 PolarHBondContact O-N 3.45Å; R161-E175 HydrophobicContact CB-CB 4.43Å; R161-E175 WeakPolarHBondContact CD-OE2 3.37Å; R161-E175 IonicContact CZ-OE2 3.4Å; R161-E175 IonicContact NE-OE2 2.96Å; R161-E175 IonicContact NH1-OE1 3.6Å; R161-E175 PolarHBondContact NH1-OE1 3.45Å; R161-E175 IonicContact NH1-OE2 3.55Å; R161-E175 PolarHBondContact NH1-OE2 3.03Å
162	T	91.5	Very high	90.7	Very high	73 Å²	73	96.7 Å²	96.7	45%	0.448	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.7	173.3	-54.2	0	0	0	0	108.9	F170 M172	T162-F170 HydrophobicContact CG2-CB 3.86Å; T162-F170 HydrophobicContact CG2-CD1 4.05Å; T162-F170 HydrophobicContact CG2-CG 4.32Å; T162-M172 HydrophobicContact CG2-CG 4.14Å
163	T	90.7	Very high	90.9	Very high	50 Å²	50	97.8 Å²	97.8	31%	0.307	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.9	174.6	-58.2	0	0	0	0	110.3	F170 Q171 H173	T163-F170 WeakPolarHBondContact O-CA 3.32Å; T163-Q171 PolarHBondContact N-O 2.96Å; T163-Q171 PolarHBondContact O-N 2.84Å; T163-H173 PolarHBondContact OG1-CE1 3.44Å; T163-H173 VanDerWaalsContact OG1-CE1 3.29Å
164	V	90.6	Very high	91	Very high	88 Å²	88	96.7 Å²	96.7	53%	0.533	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.3	178.2	-164.5	0	0	0	0	108.9	G166 F170	V164-G166 VanDerWaalsContact C-N 3.34Å; V164-G166 WeakPolarHBondContact CG1-O 3.42Å; V164-F170 HydrophobicContact CB-CD1 4.13Å; V164-F170 HydrophobicContact CB-CE1 4.12Å; V164-F170 HydrophobicContact CG1-CD1 4.03Å; V164-F170 HydrophobicContact CG1-CE1 3.74Å; V164-F170 HydrophobicContact CG1-CZ 4.42Å; V164-F170 HydrophobicContact CG2-CD1 3.69Å; V164-F170 HydrophobicContact CG2-CE1 3.52Å
165	L	89.8	Confident	91.3	Very high	93 Å²	93	99.8 Å²	99.8	49%	0.487	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	13.4	177.9	-64	175.9	0	0	0	112.6	R169 Q171	L165-R169 HydrophobicContact CB-CB 4.27Å; L165-R169 PolarHBondContact N-O 3.38Å; L165-R169 PolarHBondContact O-NH2 3.46Å; L165-Q171 HydrophobicContact CD1-CB 3.75Å; L165-Q171 HydrophobicContact CG-CB 4.24Å
166	G	90.8	Very high	91.6	Very high	23 Å²	23	100.4 Å²	100.4	24%	0.237	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.9	-175.6	-178.8	0	0	0	0	0	112.9	V164 G168 R169	V164-G166 VanDerWaalsContact C-N 3.34Å; V164-G166 WeakPolarHBondContact CG1-O 3.42Å; G166-G168 PolarHBondContact O-N 3.1Å; G166-G168 VanDerWaalsContact O-N 3.11Å; G166-R169 PolarHBondContact O-N 2.96Å; G166-R169 VanDerWaalsContact O-N 3.11Å
167	P	91	Very high	91.8	Very high	133 Å²	133	100.3 Å²	100.3	86%	0.864	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	117.7	-177.7	-23.3	33	0	0	0	111.3	R169	P167-R169 VanDerWaalsContact C-N 3.25Å; P167-R169 PolarHBondContact O-N 3.41Å
168	G	88.7	Confident	91.8	Very high	71 Å²	71	94 Å²	94	73%	0.732	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.7	178.1	0	0	0	0	0	116.6	G166	G166-G168 PolarHBondContact O-N 3.1Å; G166-G168 VanDerWaalsContact O-N 3.11Å
169	R	92.9	Very high	91.8	Very high	162 Å²	162	91.5 Å²	91.5	61%	0.611	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.1	178.8	-63.5	-175.3	-60.3	-172.4	4.6	110.3	L165 G166 P167	L165-R169 HydrophobicContact CB-CB 4.27Å; L165-R169 PolarHBondContact N-O 3.38Å; L165-R169 PolarHBondContact O-NH2 3.46Å; G166-R169 PolarHBondContact O-N 2.96Å; G166-R169 VanDerWaalsContact O-N 3.11Å; P167-R169 VanDerWaalsContact C-N 3.25Å; P167-R169 PolarHBondContact O-N 3.41Å
170	F	92.1	Very high	91.8	Very high	131 Å²	131	94.2 Å²	94.2	58%	0.575	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	136.8	176.7	-56.9	-86	0	0	0	109.7	T162 T163 V164	T162-F170 HydrophobicContact CG2-CB 3.86Å; T162-F170 HydrophobicContact CG2-CD1 4.05Å; T162-F170 HydrophobicContact CG2-CG 4.32Å; T163-F170 WeakPolarHBondContact O-CA 3.32Å; V164-F170 HydrophobicContact CB-CD1 4.13Å; V164-F170 HydrophobicContact CB-CE1 4.12Å; V164-F170 HydrophobicContact CG1-CD1 4.03Å; V164-F170 HydrophobicContact CG1-CE1 3.74Å; V164-F170 HydrophobicContact CG1-CZ 4.42Å; V164-F170 HydrophobicContact CG2-CD1 3.69Å; V164-F170 HydrophobicContact CG2-CE1 3.52Å
171	Q	93	Very high	91.8	Very high	101 Å²	101	89.3 Å²	89.3	47%	0.472	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.3	171.3	-175.1	179.2	14.7	0	0	108.8	T163 L165	T163-Q171 PolarHBondContact N-O 2.96Å; T163-Q171 PolarHBondContact O-N 2.84Å; L165-Q171 HydrophobicContact CD1-CB 3.75Å; L165-Q171 HydrophobicContact CG-CB 4.24Å
172	M	91.6	Very high	91.8	Very high	129 Å²	129	87.8 Å²	87.8	64%	0.635	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.8	168.6	-58.3	-175.8	83.2	0	0	108.3	R161 T162	R161-M172 WeakPolarHBondContact O-CA 3.24Å; T162-M172 HydrophobicContact CG2-CG 4.14Å
173	H	93.9	Very high	91.9	Very high	69 Å²	69	86.9 Å²	86.9	32%	0.319	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.6	173.6	59.7	-85.7	0	0	0	110	R161 T163	R161-H173 PolarHBondContact N-O 3.05Å; R161-H173 PolarHBondContact O-N 3.45Å; T163-H173 PolarHBondContact OG1-CE1 3.44Å; T163-H173 VanDerWaalsContact OG1-CE1 3.29Å
174	Q	93.1	Very high	92	Very high	133 Å²	133	85.7 Å²	85.7	62%	0.621	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.3	176.5	-63.5	179	-1.6	0	0	109	M158 E159 L160	M158-Q174 HydrophobicContact CE-CB 3.64Å; E159-Q174 WeakPolarHBondContact O-CA 3.3Å; L160-Q174 HydrophobicContact CD2-CG 3.74Å
175	E	94.3	Very high	92.2	Very high	71 Å²	71	86 Å²	86	33%	0.332	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	174.3	-175.9	171.3	-177.8	0	0	109.2	E159 R161 V177	E159-E175 PolarHBondContact N-O 3.46Å; E159-E175 PolarHBondContact O-N 3.44Å; R161-E175 HydrophobicContact CB-CB 4.43Å; R161-E175 WeakPolarHBondContact CD-OE2 3.37Å; R161-E175 IonicContact CZ-OE2 3.4Å; R161-E175 IonicContact NE-OE2 2.96Å; R161-E175 IonicContact NH1-OE1 3.6Å; R161-E175 PolarHBondContact NH1-OE1 3.45Å; R161-E175 IonicContact NH1-OE2 3.55Å; R161-E175 PolarHBondContact NH1-OE2 3.03Å; E175-V177 PolarHBondContact O-N 3.15Å
176	Q	93	Very high	92.4	Very high	122 Å²	122	85.8 Å²	85.8	57%	0.57	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.6	175.7	-171.3	179.4	8.6	0	0	109.3	C156 M158	C156-Q176 HydrophobicContact CB-CG 4.03Å; C156-Q176 VanDerWaalsContact CB-NE2 3.31Å; M158-Q176 HydrophobicContact SD-CB 3.85Å; M158-Q176 HydrophobicContact SD-CG 4.04Å
177	V	93.3	Very high	92.6	Very high	54 Å²	54	87 Å²	87	33%	0.327	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.6	176.5	-178.5	0	0	0	0	108.3	C156 R157 E159 E175	C156-V177 WeakPolarHBondContact CA-O 3.48Å; R157-V177 PolarHBondContact N-O 3.15Å; R157-V177 PolarHBondContact O-N 3.08Å; E159-V177 HydrophobicContact CB-CG2 4.11Å; E159-V177 HydrophobicContact CG-CB 4.24Å; E159-V177 HydrophobicContact CG-CG2 3.98Å; E175-V177 PolarHBondContact O-N 3.15Å
178	C	91.9	Very high	92.8	Very high	33 Å²	33	83.5 Å²	83.5	22%	0.223	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.5	177.5	-54.9	0	0	0	0	110.1	K153 C156	K153-C178 HydrophobicContact CB-CB 3.83Å; K153-C178 HydrophobicContact CD-CB 4.32Å; K153-C178 HydrophobicContact CG-CB 4.21Å; C156-C178 HydrophobicContact CB-CB 4.06Å; C156-C178 WeakPolarHBondContact CB-SG 3.46Å; C156-C178 WeakPolarHBondContact SG-CB 3.23Å; C156-C178 CovalentContact SG-SG 2.04Å; C156-C178 PolarHBondContact SG-SG 2.89Å
179	S	90.8	Very high	93.1	Very high	61 Å²	61	84.2 Å²	84.2	43%	0.427	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.5	168	-58.4	0	0	0	0	110.3	K153 C154	K153-S179 WeakPolarHBondContact CA-O 3.26Å; C154-S179 PolarHBondContact N-O 2.82Å; C154-S179 PolarHBondContact O-N 3.29Å; C154-S179 PolarHBondContact SG-O 2.86Å
180	D	92.2	Very high	93.2	Very high	126 Å²	126	83.7 Å²	83.7	67%	0.674	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	100.9	173.7	-69.4	-39.9	0	0	0	109.7
181	C	91	Very high	93.2	Very high	21 Å²	21	82.8 Å²	82.8	14%	0.142	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	155.4	176	-75.1	0	0	0	0	111.5	T151 R152 C154 D218	T151-C181 CarbonylContact C-O 3.6Å; T151-C181 WeakPolarHBondContact CA-O 3.31Å; R152-C181 HydrophobicContact CG-CB 4.19Å; R152-C181 PolarHBondContact N-O 2.78Å; R152-C181 PolarHBondContact O-N 2.94Å; C154-C181 HydrophobicContact CB-CB 3.71Å; C154-C181 WeakPolarHBondContact CB-SG 3.44Å; C154-C181 WeakPolarHBondContact SG-CB 3.44Å; C154-C181 CovalentContact SG-SG 2.02Å; C154-C181 PolarHBondContact SG-SG 2.84Å; C181-D218 PolarHBondContact SG-OD1 3.33Å
182	P	91.4	Very high	93.3	Very high	100 Å²	100	80.5 Å²	80.5	65%	0.649	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	140.5	168.1	-23.3	33.8	0	0	0	111.7	R152	R152-P182 PolarHBondContact NE-O 3.22Å
183	N	93.8	Very high	93.4	Very high	54 Å²	54	74.9 Å²	74.9	29%	0.289	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	148.5	175.3	-168.8	28.1	0	0	0	111.3	A148 P149 G150	A148-N183 HydrophobicContact CB-CB 4.38Å; A148-N183 PolarHBondContact N-O 3.03Å; A148-N183 VanDerWaalsContact O-O 3.13Å; P149-N183 WeakPolarHBondContact O-CB 3.43Å; P149-N183 PolarHBondContact O-ND2 2.9Å; G150-N183 WeakPolarHBondContact O-CB 3.25Å; G150-N183 PolarHBondContact O-N 3.22Å
184	V	93.7	Very high	93.5	Very high	25 Å²	25	78 Å²	78	15%	0.152	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.3	-175.4	-60.4	0	0	0	0	110.1	K145 M146	K145-V184 HydrophobicContact CG-CB 4.12Å; K145-V184 HydrophobicContact CG-CG1 4.23Å; M146-V184 CarbonylContact O-C 3.53Å; M146-V184 WeakPolarHBondContact O-CA 3.42Å
185	Q	93.8	Very high	93.6	Very high	95 Å²	95	71.6 Å²	71.6	44%	0.444	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.9	175.6	62.7	-177.7	-20.2	0	0	110.1	M146 P147 A148 V187	M146-Q185 HydrophobicContact CB-CG 3.95Å; M146-Q185 PolarHBondContact N-O 2.92Å; M146-Q185 PolarHBondContact O-N 3.48Å; P147-Q185 PolarHBondContact O-NE2 3.38Å; A148-Q185 HydrophobicContact CB-CB 4.01Å; A148-Q185 HydrophobicContact CB-CG 4.03Å; Q185-V187 HydrophobicContact CG-CG2 4.26Å
186	F	94.9	Very high	93.6	Very high	87 Å²	87	74 Å²	74	38%	0.382	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.3	176.8	-64.2	-69.4	0	0	0	110	L143 I144 K145 P215	L143-F186 HydrophobicContact CB-CB 4.34Å; L143-F186 HydrophobicContact CD1-CB 4.47Å; I144-F186 WeakPolarHBondContact O-CA 3.47Å; K145-F186 HydrophobicContact CB-CD1 4.41Å; K145-F186 HydrophobicContact CB-CE1 4.1Å; K145-F186 HydrophobicContact CG-CE1 4.5Å; F186-P215 HydrophobicContact CD1-CB 4.07Å; F186-P215 HydrophobicContact CD1-CG 3.68Å; F186-P215 HydrophobicContact CE1-CB 3.76Å; F186-P215 HydrophobicContact CE1-CG 3.72Å
187	V	94.8	Very high	93.7	Very high	50 Å²	50	68.5 Å²	68.5	30%	0.303	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.7	179.2	-179.6	0	0	0	0	108.9	I144 M146 Q185 E189	I144-V187 HydrophobicContact CG1-CB 4.44Å; I144-V187 WeakPolarHBondContact CG1-O 3.39Å; I144-V187 PolarHBondContact N-O 2.74Å; I144-V187 PolarHBondContact O-N 3.39Å; M146-V187 HydrophobicContact CG-CB 4.36Å; M146-V187 HydrophobicContact CG-CG2 4.19Å; M146-V187 HydrophobicContact SD-CB 3.76Å; M146-V187 HydrophobicContact SD-CG1 4.27Å; M146-V187 HydrophobicContact SD-CG2 3.56Å; M146-V187 VanDerWaalsContact SD-CG2 3.56Å; Q185-V187 HydrophobicContact CG-CG2 4.26Å; V187-E189 PolarHBondContact O-N 2.9Å
188	P	95.3	Very high	93.8	Very high	58 Å²	58	71.3 Å²	71.3	38%	0.377	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.2	173.9	27	-32.4	0	0	0	111.4	R141 K142 L143	R141-P188 HydrophobicContact CG-CB 4.21Å; K142-P188 CarbonylContact O-C 3.6Å; K142-P188 WeakPolarHBondContact O-CA 3.43Å; L143-P188 HydrophobicContact CD2-CB 4.11Å
189	E	94.6	Very high	93.9	Very high	86 Å²	86	71.3 Å²	71.3	40%	0.402	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.2	174.3	-173.9	-177.4	-155	0	0	109.9	R141 K142 I144 V187	R141-E189 WeakPolarHBondContact CA-O 3.27Å; K142-E189 PolarHBondContact N-O 2.84Å; K142-E189 PolarHBondContact O-N 3.48Å; I144-E189 HydrophobicContact CD1-CB 4.1Å; I144-E189 HydrophobicContact CG1-CB 4Å; I144-E189 HydrophobicContact CG2-CB 4.16Å; I144-E189 VanDerWaalsContact CG2-OE2 3.23Å; I144-E189 WeakPolarHBondContact CG2-OE2 3.43Å; V187-E189 PolarHBondContact O-N 2.9Å
190	E	94.8	Very high	94	Very high	151 Å²	151	68.4 Å²	68.4	71%	0.706	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.1	172.4	-66.4	-170.8	167.8	0	0	110.6
191	R	92.7	Very high	94.2	Very high	113 Å²	113	62.5 Å²	62.5	43%	0.426	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.8	177.6	-168.1	164.9	176.7	148.3	-16.3	110.4	R140 L193 E212	R140-R191 PolarHBondContact N-O 2.84Å; R140-R191 PolarHBondContact O-N 2.71Å; R191-L193 HydrophobicContact CG-CD2 4.3Å; R191-E212 WeakPolarHBondContact CD-OE2 3.36Å; R191-E212 IonicContact CZ-OE1 2.64Å; R191-E212 IonicContact NE-OE1 3.84Å; R191-E212 PolarHBondContact NE-OE1 3.25Å; R191-E212 IonicContact NE-OE2 3.72Å; R191-E212 IonicContact NH1-OE1 3.07Å; R191-E212 PolarHBondContact NH1-OE1 3.21Å; R191-E212 IonicContact NH2-OE1 3.78Å; R191-E212 PolarHBondContact NH2-OE1 2.93Å
192	T	94.5	Very high	94.3	Very high	53 Å²	53	67.2 Å²	67.2	33%	0.325	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.4	172.5	-63.5	0	0	0	0	109.4	K137 Y194	K137-T192 HydrophobicContact CD-CG2 3.76Å; K137-T192 HydrophobicContact CG-CG2 3.5Å; K137-T192 VanDerWaalsContact CG-CG2 3.5Å; T192-Y194 HydrophobicContact CG2-CD2 4.31Å; T192-Y194 HydrophobicContact CG2-CE1 4.48Å; T192-Y194 HydrophobicContact CG2-CE2 3.69Å
193	L	94.6	Very high	94.3	Very high	10 Å²	10	67.1 Å²	67.1	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.4	173.6	-58.5	177.6	0	0	0	109.6	V138 R191 F209 E212 L224 F226	V138-L193 PolarHBondContact N-O 2.78Å; V138-L193 PolarHBondContact O-N 2.85Å; R191-L193 HydrophobicContact CG-CD2 4.3Å; L193-F209 HydrophobicContact CB-CE1 4.06Å; L193-F209 HydrophobicContact CB-CZ 4.02Å; L193-F209 HydrophobicContact CD1-CD1 4.34Å; L193-F209 HydrophobicContact CD1-CD2 4.41Å; L193-F209 HydrophobicContact CD1-CG 4.27Å; L193-F209 HydrophobicContact CD2-CD1 3.98Å; L193-F209 HydrophobicContact CD2-CE1 4.06Å; L193-F209 HydrophobicContact CG-CE1 4.45Å; L193-E212 HydrophobicContact CD2-CG 4.31Å; L193-L224 HydrophobicContact CD1-CD2 3.49Å; L193-L224 VanDerWaalsContact CD1-CD2 3.49Å; L193-F226 HydrophobicContact CD1-CE2 4Å; L193-F226 HydrophobicContact CD1-CZ 4.31Å
194	Y	94.7	Very high	94.3	Very high	134 Å²	134	66 Å²	66	53%	0.525	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.6	178.1	-66	-89.3	0	0	0	108.8	K137 T192 F209	K137-Y194 HydrophobicContact CB-CD1 4.24Å; K137-Y194 HydrophobicContact CB-CE1 4.11Å; K137-Y194 HydrophobicContact CD-CE1 4.07Å; K137-Y194 HydrophobicContact CG-CD1 4.47Å; K137-Y194 HydrophobicContact CG-CE1 4.04Å; T192-Y194 HydrophobicContact CG2-CD2 4.31Å; T192-Y194 HydrophobicContact CG2-CE1 4.48Å; T192-Y194 HydrophobicContact CG2-CE2 3.69Å; Y194-F209 WeakPolarHBondContact O-CZ 2.75Å
195	V	95.5	Very high	94.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.3	178.6	-172.9	0	0	0	0	108.3	L123 S135 V136 V138 L197 Y207 F209 F226 I228	L123-V195 HydrophobicContact CD2-CB 3.96Å; L123-V195 HydrophobicContact CD2-CG1 3.83Å; L123-V195 HydrophobicContact CD2-CG2 4.04Å; S135-V195 CarbonylContact C-O 3.54Å; S135-V195 WeakPolarHBondContact CA-O 3.27Å; V136-V195 PolarHBondContact N-O 3.32Å; V136-V195 PolarHBondContact O-N 3.37Å; V138-V195 HydrophobicContact CG2-CG2 4.22Å; V195-L197 HydrophobicContact CG1-CD2 4.24Å; V195-L197 PolarHBondContact O-N 3.3Å; V195-Y207 HydrophobicContact CG1-CD1 4.12Å; V195-Y207 HydrophobicContact CG1-CD2 4Å; V195-Y207 HydrophobicContact CG1-CE2 4.39Å; V195-Y207 HydrophobicContact CG1-CG 3.84Å; V195-F209 HydrophobicContact CG2-CE2 3.93Å; V195-F209 HydrophobicContact CG2-CZ 4.13Å; V195-F226 HydrophobicContact CG2-CD2 3.89Å; V195-F226 HydrophobicContact CG2-CE2 4.01Å; V195-F226 HydrophobicContact CG2-CG 4.3Å; V195-I228 HydrophobicContact CG1-CD1 4.18Å
196	E	94.2	Very high	94.4	Very high	120 Å²	120	68.4 Å²	68.4	56%	0.561	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	109.6	177.3	-65.8	-177.6	-180	0	0	110.6	K198 Y207	E196-K198 PolarHBondContact O-N 3.5Å; E196-Y207 HydrophobicContact CB-CE2 4.36Å; E196-Y207 WeakPolarHBondContact O-CE2 3.49Å
197	L	95.5	Very high	94.4	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.1	175.7	-52.8	173.1	0	0	0	109.3	V125 E129 G133 N134 V136 V195 M201 I228	V125-L197 HydrophobicContact CB-CD1 4.33Å; V125-L197 HydrophobicContact CG1-CD1 3.34Å; V125-L197 HydrophobicContact CG1-CD2 4.41Å; V125-L197 HydrophobicContact CG1-CG 4.46Å; V125-L197 HydrophobicContact CG2-CD1 3.94Å; V125-L197 HydrophobicContact CG2-CD2 3.96Å; E129-L197 HydrophobicContact CB-CD1 4.11Å; G133-L197 WeakPolarHBondContact CA-O 3.28Å; N134-L197 HydrophobicContact CB-CD1 4.42Å; N134-L197 PolarHBondContact N-O 2.96Å; N134-L197 WeakPolarHBondContact O-CA 3.28Å; N134-L197 WeakPolarHBondContact O-CB 3.3Å; N134-L197 WeakPolarHBondContact O-CG 3.15Å; N134-L197 PolarHBondContact O-N 2.93Å; V136-L197 HydrophobicContact CG2-CD1 3.47Å; V136-L197 VanDerWaalsContact CG2-CD1 3.47Å; V136-L197 HydrophobicContact CG2-CG 4.11Å; V195-L197 HydrophobicContact CG1-CD2 4.24Å; V195-L197 PolarHBondContact O-N 3.3Å; L197-M201 HydrophobicContact CD2-SD 4.17Å; L197-I228 HydrophobicContact CD2-CD1 3.83Å
198	K	94.3	Very high	94.3	Very high	114 Å²	114	67.7 Å²	67.7	50%	0.496	32%	0.324	S	S	.	.			trans	-77.9	143.7	174.2	-64.6	-179.2	178	177.9	0	110.4	E196 G200 M201 F294	E196-K198 PolarHBondContact O-N 3.5Å; K198-G200 PolarHBondContact O-N 2.82Å; K198-M201 HydrophobicContact CB-CE 4.13Å; K198-M201 HydrophobicContact CG-CE 4.37Å; K198-M201 VanDerWaalsContact O-CB 3.24Å; K198-M201 WeakPolarHBondContact O-CB 3.47Å; K198-M201 PolarHBondContact O-N 3.29Å; K198-M201 VanDerWaalsContact O-N 3.16Å; K198-F294 HydrophobicContact CB-CD2 4.42Å; K198-F294 HydrophobicContact CB-CE2 3.96Å; K198-F294 HydrophobicContact CD-CE2 4.18Å
199	P	95	Very high	94.3	Very high	33 Å²	33	66.5 Å²	66.5	21%	0.214	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.8	172.3	-25.8	34.1	0	0	0	111	L130 M201 P292	L130-P199 CarbonylContact O-C 3.55Å; L130-P199 WeakPolarHBondContact O-CA 3.37Å; P199-M201 VanDerWaalsContact C-N 3.28Å; P199-M201 PolarHBondContact O-N 2.88Å; P199-P292 HydrophobicContact CB-CB 4.39Å; P199-P292 HydrophobicContact CB-CG 3.84Å
200	G	93.7	Very high	94.1	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.3	175.5	0	0	0	0	0	114.8	L130 K198 R202 R238 P292	L130-G200 PolarHBondContact O-N 3.06Å; K198-G200 PolarHBondContact O-N 2.82Å; G200-R202 PolarHBondContact O-N 3.01Å; G200-R238 PolarHBondContact O-NH2 3.34Å; G200-P292 WeakPolarHBondContact CA-O 2.96Å
201	M	94.8	Very high	94	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-49.8	129.8	178.9	-176.4	177.1	-76.1	0	0	111.4	L130 L197 K198 P199 Y205 I228 R238 F294	L130-M201 HydrophobicContact CD2-CB 3.99Å; L197-M201 HydrophobicContact CD2-SD 4.17Å; K198-M201 HydrophobicContact CB-CE 4.13Å; K198-M201 HydrophobicContact CG-CE 4.37Å; K198-M201 VanDerWaalsContact O-CB 3.24Å; K198-M201 WeakPolarHBondContact O-CB 3.47Å; K198-M201 PolarHBondContact O-N 3.29Å; K198-M201 VanDerWaalsContact O-N 3.16Å; P199-M201 VanDerWaalsContact C-N 3.28Å; P199-M201 PolarHBondContact O-N 2.88Å; M201-Y205 HydrophobicContact CE-CD1 3.86Å; M201-Y205 HydrophobicContact CE-CE1 3.85Å; M201-Y205 HydrophobicContact CG-CD1 3.92Å; M201-Y205 HydrophobicContact CG-CG 3.91Å; M201-Y205 HydrophobicContact SD-CD1 3.7Å; M201-Y205 HydrophobicContact SD-CE1 4.31Å; M201-Y205 HydrophobicContact SD-CG 4.3Å; M201-I228 HydrophobicContact SD-CB 4.33Å; M201-I228 HydrophobicContact SD-CD1 4.29Å; M201-I228 HydrophobicContact SD-CG1 3.67Å; M201-I228 HydrophobicContact SD-CG2 4.17Å; M201-R238 PolarHBondContact O-NH1 3.04Å; M201-R238 PolarHBondContact O-NH2 3.21Å; M201-F294 VanDerWaalsContact CA-CD2 3.48Å; M201-F294 HydrophobicContact CB-CD2 4.06Å; M201-F294 HydrophobicContact CB-CE2 3.99Å; M201-F294 HydrophobicContact CE-CE2 4.22Å; M201-F294 HydrophobicContact CG-CE2 4.16Å
202	R	93	Very high	94	Very high	121 Å²	121	57.5 Å²	57.5	46%	0.457	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-77.1	151.6	-173.2	-63.4	-177.9	-177.7	161.4	6.7	111	G200 Y205	G200-R202 PolarHBondContact O-N 3.01Å; R202-Y205 VanDerWaalsContact O-CB 3.29Å; R202-Y205 WeakPolarHBondContact O-CB 3.38Å; R202-Y205 PolarHBondContact O-N 3.16Å
203	D	92.9	Very high	94	Very high	98 Å²	98	55.1 Å²	55.1	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	137.3	170	-172	53	0	0	0	110.4	Y205 K229 Q230	D203-Y205 VanDerWaalsContact C-N 3.33Å; D203-K229 VanDerWaalsContact OD1-CA 3.29Å; D203-K229 WeakPolarHBondContact OD1-CA 3.34Å; D203-Q230 HydrophobicContact CB-CB 4.38Å; D203-Q230 PolarHBondContact OD1-N 2.85Å
204	G	93.4	Very high	94	Very high	31 Å²	31	59.8 Å²	59.8	32%	0.32	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.6	-175.6	0	0	0	0	0	115.5	I228	G204-I228 WeakPolarHBondContact CA-O 3.03Å; G204-I228 PolarHBondContact N-O 2.89Å
205	Y	93.6	Very high	94	Very high	78 Å²	78	54.6 Å²	54.6	31%	0.306	28%	0.282	S	S	.	.			trans	-59.4	137.4	174.4	-178.2	-96.2	0	0	0	111.2	M201 R202 D203 Y207 I228 F294	M201-Y205 HydrophobicContact CE-CD1 3.86Å; M201-Y205 HydrophobicContact CE-CE1 3.85Å; M201-Y205 HydrophobicContact CG-CD1 3.92Å; M201-Y205 HydrophobicContact CG-CG 3.91Å; M201-Y205 HydrophobicContact SD-CD1 3.7Å; M201-Y205 HydrophobicContact SD-CE1 4.31Å; M201-Y205 HydrophobicContact SD-CG 4.3Å; R202-Y205 VanDerWaalsContact O-CB 3.29Å; R202-Y205 WeakPolarHBondContact O-CB 3.38Å; R202-Y205 PolarHBondContact O-N 3.16Å; D203-Y205 VanDerWaalsContact C-N 3.33Å; Y205-Y207 HydrophobicContact CE1-CD2 4.34Å; Y205-I228 HydrophobicContact CD1-CG1 4.25Å; Y205-I228 WeakPolarHBondContact O-CG1 3.2Å; Y205-I228 PolarHBondContact O-N 2.89Å; Y205-F294 HydrophobicContact CD2-CE1 4.25Å; Y205-F294 HydrophobicContact CD2-CZ 4.09Å; Y205-F294 AromaticContact CE2-CE1 3.89Å; Y205-F294 HydrophobicContact CE2-CE1 3.89Å; Y205-F294 AromaticContact CE2-CZ 3.65Å; Y205-F294 HydrophobicContact CE2-CZ 3.65Å; Y205-F294 AromaticContact CZ-CZ 3.97Å
206	F	94.9	Very high	93.9	Very high	92 Å²	92	57.3 Å²	57.3	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.9	175.5	-70.6	-78.3	0	0	0	110.9	V120 K225 F226 R227	V120-F206 HydrophobicContact CG1-CD1 4.43Å; V120-F206 HydrophobicContact CG1-CE1 3.74Å; F206-K225 HydrophobicContact CD1-CB 4.15Å; F206-F226 CarbonylContact C-O 3.37Å; F206-F226 VanDerWaalsContact CA-O 3.32Å; F206-F226 WeakPolarHBondContact CA-O 3.25Å; F206-R227 HydrophobicContact CD1-CB 4.1Å; F206-R227 HydrophobicContact CE1-CB 3.83Å; F206-R227 HydrophobicContact CE1-CG 4.08Å; F206-R227 HydrophobicContact CZ-CG 4.38Å
207	Y	94.6	Very high	93.7	Very high	45 Å²	45	53.1 Å²	53.1	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.1	172.6	-165.7	-76.5	0	0	0	110	V195 E196 Y205 F209 K225 F226	V195-Y207 HydrophobicContact CG1-CD1 4.12Å; V195-Y207 HydrophobicContact CG1-CD2 4Å; V195-Y207 HydrophobicContact CG1-CE2 4.39Å; V195-Y207 HydrophobicContact CG1-CG 3.84Å; E196-Y207 HydrophobicContact CB-CE2 4.36Å; E196-Y207 WeakPolarHBondContact O-CE2 3.49Å; Y205-Y207 HydrophobicContact CE1-CD2 4.34Å; Y207-F209 AromaticContact CD1-CD2 3.96Å; Y207-F209 HydrophobicContact CD1-CD2 3.96Å; Y207-F209 AromaticContact CD1-CE2 3.39Å; Y207-F209 HydrophobicContact CD1-CE2 3.39Å; Y207-F209 AromaticContact CD1-CZ 3.94Å; Y207-F209 HydrophobicContact CD1-CZ 3.94Å; Y207-F209 HydrophobicContact CE1-CD2 4.27Å; Y207-F209 HydrophobicContact CE1-CE1 4.3Å; Y207-F209 AromaticContact CE1-CE2 3.53Å; Y207-F209 HydrophobicContact CE1-CE2 3.53Å; Y207-F209 AromaticContact CE1-CZ 3.56Å; Y207-F209 HydrophobicContact CE1-CZ 3.56Å; Y207-K225 CarbonylContact O-C 3.57Å; Y207-K225 WeakPolarHBondContact O-CA 3.44Å; Y207-F226 PolarHBondContact N-O 3.33Å; Y207-F226 PolarHBondContact O-N 3.1Å
208	P	93.9	Very high	93.4	Very high	76 Å²	76	55.2 Å²	55.2	49%	0.494	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.6	-173.6	33.8	-34.7	0	0	0	113.5	L224	P208-L224 CarbonylContact C-O 3.57Å
209	F	94.4	Very high	93.1	Very high	34 Å²	34	50.7 Å²	50.7	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	112.1	167.6	-75.2	-87.8	0	0	0	108.9	L193 Y194 V195 Y207 E212 L224 F226	L193-F209 HydrophobicContact CB-CE1 4.06Å; L193-F209 HydrophobicContact CB-CZ 4.02Å; L193-F209 HydrophobicContact CD1-CD1 4.34Å; L193-F209 HydrophobicContact CD1-CD2 4.41Å; L193-F209 HydrophobicContact CD1-CG 4.27Å; L193-F209 HydrophobicContact CD2-CD1 3.98Å; L193-F209 HydrophobicContact CD2-CE1 4.06Å; L193-F209 HydrophobicContact CG-CE1 4.45Å; Y194-F209 WeakPolarHBondContact O-CZ 2.75Å; V195-F209 HydrophobicContact CG2-CE2 3.93Å; V195-F209 HydrophobicContact CG2-CZ 4.13Å; Y207-F209 AromaticContact CD1-CD2 3.96Å; Y207-F209 HydrophobicContact CD1-CD2 3.96Å; Y207-F209 AromaticContact CD1-CE2 3.39Å; Y207-F209 HydrophobicContact CD1-CE2 3.39Å; Y207-F209 AromaticContact CD1-CZ 3.94Å; Y207-F209 HydrophobicContact CD1-CZ 3.94Å; Y207-F209 HydrophobicContact CE1-CD2 4.27Å; Y207-F209 HydrophobicContact CE1-CE1 4.3Å; Y207-F209 AromaticContact CE1-CE2 3.53Å; Y207-F209 HydrophobicContact CE1-CE2 3.53Å; Y207-F209 AromaticContact CE1-CZ 3.56Å; Y207-F209 HydrophobicContact CE1-CZ 3.56Å; F209-E212 HydrophobicContact CB-CB 3.87Å; F209-E212 HydrophobicContact CB-CG 3.85Å; F209-L224 HydrophobicContact CB-CB 4.21Å; F209-L224 PolarHBondContact N-O 3.5Å; F209-L224 PolarHBondContact O-N 3.48Å; F209-F226 AromaticContact CD2-CD2 3.64Å; F209-F226 HydrophobicContact CD2-CD2 3.64Å; F209-F226 AromaticContact CD2-CE2 3.69Å; F209-F226 HydrophobicContact CD2-CE2 3.69Å; F209-F226 AromaticContact CE2-CD2 3.48Å; F209-F226 HydrophobicContact CE2-CD2 3.48Å; F209-F226 VanDerWaalsContact CE2-CD2 3.48Å; F209-F226 AromaticContact CE2-CE2 3.53Å; F209-F226 HydrophobicContact CE2-CE2 3.53Å; F209-F226 HydrophobicContact CZ-CE2 4.5Å
210	V	91.8	Very high	92.9	Very high	123 Å²	123	54 Å²	54	75%	0.745	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	134.4	-175	-178.1	0	0	0	0	110.9	E212 D223	V210-E212 PolarHBondContact O-N 2.98Å; V210-D223 VanDerWaalsContact CA-OD1 3.29Å; V210-D223 WeakPolarHBondContact CA-OD1 3.14Å
211	G	91.7	Very high	92.9	Very high	27 Å²	27	56 Å²	56	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	11.7	177.1	0	0	0	0	0	114.6	S221 G222 D223	G211-S221 WeakPolarHBondContact O-CB 3.41Å; G211-G222 CarbonylContact C-O 3.59Å; G211-G222 WeakPolarHBondContact CA-O 3.29Å; G211-G222 PolarHBondContact N-O 2.92Å; G211-D223 PolarHBondContact N-OD1 3.24Å
212	E	93	Very high	92.8	Very high	10 Å²	10	56 Å²	56	5%	0.047	30%	0.303	C	S	.	.			trans	-98	8.7	178	-69.6	-58.1	145.4	0	0	112.9	R140 K142 R191 L193 F209 V210 G222 L224	R140-E212 PolarHBondContact NH1-O 2.85Å; R140-E212 PolarHBondContact NH2-O 3.25Å; K142-E212 VanDerWaalsContact CD-OE2 3.32Å; K142-E212 WeakPolarHBondContact CD-OE2 3.3Å; K142-E212 WeakPolarHBondContact CE-OE2 3.29Å; K142-E212 IonicContact NZ-OE1 2.76Å; K142-E212 PolarHBondContact NZ-OE1 3.32Å; K142-E212 IonicContact NZ-OE2 3Å; K142-E212 PolarHBondContact NZ-OE2 2.94Å; R191-E212 WeakPolarHBondContact CD-OE2 3.36Å; R191-E212 IonicContact CZ-OE1 2.64Å; R191-E212 IonicContact NE-OE1 3.84Å; R191-E212 PolarHBondContact NE-OE1 3.25Å; R191-E212 IonicContact NE-OE2 3.72Å; R191-E212 IonicContact NH1-OE1 3.07Å; R191-E212 PolarHBondContact NH1-OE1 3.21Å; R191-E212 IonicContact NH2-OE1 3.78Å; R191-E212 PolarHBondContact NH2-OE1 2.93Å; L193-E212 HydrophobicContact CD2-CG 4.31Å; F209-E212 HydrophobicContact CB-CB 3.87Å; F209-E212 HydrophobicContact CB-CG 3.85Å; V210-E212 PolarHBondContact O-N 2.98Å; E212-G222 PolarHBondContact N-O 2.87Å; E212-L224 HydrophobicContact CB-CB 3.68Å; E212-L224 HydrophobicContact CB-CD2 4.31Å
213	G	93.9	Very high	92.8	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.031	29%	0.292	C	S	.	.	S	Bend	trans	-77.7	-145.9	178.4	0	0	0	0	0	113.7	R140 G222	R140-G213 PolarHBondContact NH2-O 3.36Å; G213-G222 VanDerWaalsContact CA-O 3.29Å; G213-G222 WeakPolarHBondContact CA-O 3.25Å; G213-G222 PolarHBondContact N-O 3.46Å
214	E	94.3	Very high	92.9	Very high	109 Å²	109	47.6 Å²	47.6	51%	0.509	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-78.2	143.6	171.2	-60.7	-173.9	156.6	0	0	110.3	G116 G117 I119 S221 G222	G116-E214 WeakPolarHBondContact CA-O 3.34Å; G117-E214 PolarHBondContact O-N 2.73Å; I119-E214 HydrophobicContact CD1-CG 3.6Å; I119-E214 HydrophobicContact CG1-CG 3.85Å; E214-S221 CarbonylContact O-C 3.17Å; E214-S221 VanDerWaalsContact O-CA 3.32Å; E214-S221 WeakPolarHBondContact O-CA 3.35Å; E214-G222 PolarHBondContact O-N 3.1Å
215	P	94.5	Very high	93	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-78.9	145.3	177	35.2	-38.4	0	0	0	111.5	L143 F186	L143-P215 HydrophobicContact CB-CG 3.76Å; L143-P215 WeakPolarHBondContact O-CG 3.32Å; F186-P215 HydrophobicContact CD1-CB 4.07Å; F186-P215 HydrophobicContact CD1-CG 3.68Å; F186-P215 HydrophobicContact CE1-CB 3.76Å; F186-P215 HydrophobicContact CE1-CG 3.72Å
216	H	93.7	Very high	93.1	Very high	57 Å²	57	45.5 Å²	45.5	26%	0.264	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-102.2	150	169.7	-163.6	81.6	0	0	0	111.2	R115 D218 G219 E220	R115-H216 PolarHBondContact O-ND1 3.49Å; H216-D218 PolarHBondContact CD2-N 2.91Å; H216-G219 PolarHBondContact CD2-N 2.64Å; H216-E220 WeakPolarHBondContact CB-O 3.16Å
217	S	90.8	Very high	93.2	Very high	32 Å²	32	45.4 Å²	45.4	22%	0.224	25%	0.247	C	C	.	.	S	Bend	trans	-70.4	-42.3	-178.4	73.4	0	0	0	0	112.5	K145 R152	K145-S217 WeakPolarHBondContact CE-O 3.38Å; K145-S217 PolarHBondContact NZ-O 2.9Å; R152-S217 VanDerWaalsContact NH2-CB 3.28Å; R152-S217 PolarHBondContact NH2-O 3.27Å; R152-S217 VanDerWaalsContact NH2-O 3.08Å; R152-S217 PolarHBondContact NH2-OG 3.18Å
218	D	88.7	Confident	93.3	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	24%	0.239	S	C	.	.	S	Bend	trans	-100.4	-14.4	-177.1	-74.6	-54.1	0	0	0	115.6	P114 R152 C181 H216	P114-D218 HydrophobicContact CG-CB 4.09Å; R152-D218 IonicContact CZ-OD1 3.33Å; R152-D218 VanDerWaalsContact CZ-OD1 3.26Å; R152-D218 IonicContact CZ-OD2 2.75Å; R152-D218 IonicContact NH1-OD1 2.82Å; R152-D218 PolarHBondContact NH1-OD1 3.14Å; R152-D218 IonicContact NH1-OD2 3.97Å; R152-D218 PolarHBondContact NH1-OD2 3.29Å; R152-D218 IonicContact NH2-OD1 2.93Å; R152-D218 PolarHBondContact NH2-OD1 3.43Å; R152-D218 IonicContact NH2-OD2 2.78Å; R152-D218 PolarHBondContact NH2-OD2 3.14Å; C181-D218 PolarHBondContact SG-OD1 3.33Å; H216-D218 PolarHBondContact CD2-N 2.91Å
219	G	89	Confident	93.4	Very high	19 Å²	19	42.3 Å²	42.3	20%	0.196	23%	0.227	C	C	.	.	S	Bend	trans	-148.4	-158.4	-173.7	0	0	0	0	0	113.3	P114 H216	P114-G219 CarbonylContact O-C 3.57Å; P114-G219 WeakPolarHBondContact O-CA 3.2Å; H216-G219 PolarHBondContact CD2-N 2.64Å
220	E	90.8	Very high	93.3	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	23%	0.228	S	C	.	.			trans	-71.2	155.7	-166.9	-58.7	-171.4	145.7	0	0	112.6	P114 R115 G116 H216	P114-E220 PolarHBondContact O-N 3.34Å; R115-E220 CarbonylContact C-O 3.13Å; R115-E220 WeakPolarHBondContact CA-O 3.43Å; R115-E220 HydrophobicContact CG-CB 4.27Å; G116-E220 PolarHBondContact N-O 2.81Å; H216-E220 WeakPolarHBondContact CB-O 3.16Å
221	S	92.6	Very high	93.5	Very high	42 Å²	42	42.5 Å²	42.5	29%	0.294	22%	0.218	S	C	.	.			trans	-69.7	148.1	170.4	-58.1	0	0	0	0	109.4	G211 E214	G211-S221 WeakPolarHBondContact O-CB 3.41Å; E214-S221 CarbonylContact O-C 3.17Å; E214-S221 VanDerWaalsContact O-CA 3.32Å; E214-S221 WeakPolarHBondContact O-CA 3.35Å
222	G	92.7	Very high	93.6	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	24%	0.24	C	C	.	.			trans	-65.6	-172	173.4	0	0	0	0	0	112.1	G116 G211 E212 G213 E214	G116-G222 WeakPolarHBondContact O-CA 3.35Å; G211-G222 CarbonylContact C-O 3.59Å; G211-G222 WeakPolarHBondContact CA-O 3.29Å; G211-G222 PolarHBondContact N-O 2.92Å; E212-G222 PolarHBondContact N-O 2.87Å; G213-G222 VanDerWaalsContact CA-O 3.29Å; G213-G222 WeakPolarHBondContact CA-O 3.25Å; G213-G222 PolarHBondContact N-O 3.46Å; E214-G222 PolarHBondContact O-N 3.1Å
223	D	94.2	Very high	93.6	Very high	42 Å²	42	50.7 Å²	50.7	23%	0.225	25%	0.247	C	C	.	.			trans	-102.3	153.5	178	-67.8	-22.4	0	0	0	112.4	D118 I119 V210 G211	D118-D223 CarbonylContact C-O 3.56Å; D118-D223 VanDerWaalsContact CA-O 3.3Å; D118-D223 WeakPolarHBondContact CA-O 3.43Å; D118-D223 PolarHBondContact OD1-N 2.85Å; I119-D223 PolarHBondContact N-O 3.33Å; V210-D223 VanDerWaalsContact CA-OD1 3.29Å; V210-D223 WeakPolarHBondContact CA-OD1 3.14Å; G211-D223 PolarHBondContact N-OD1 3.24Å
224	L	95	Very high	93.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.2	169.3	173.3	66.6	0	0	0	109.5	I119 M121 L193 P208 F209 E212 F226	I119-L224 HydrophobicContact CB-CD1 3.96Å; I119-L224 HydrophobicContact CG2-CD1 3.93Å; I119-L224 CarbonylContact O-C 3.47Å; I119-L224 WeakPolarHBondContact O-CA 3.4Å; M121-L224 HydrophobicContact CB-CD1 4.36Å; M121-L224 HydrophobicContact CG-CD1 3.82Å; M121-L224 HydrophobicContact SD-CD1 3.66Å; M121-L224 HydrophobicContact SD-CD2 4.39Å; L193-L224 HydrophobicContact CD1-CD2 3.49Å; L193-L224 VanDerWaalsContact CD1-CD2 3.49Å; P208-L224 CarbonylContact C-O 3.57Å; F209-L224 HydrophobicContact CB-CB 4.21Å; F209-L224 PolarHBondContact N-O 3.5Å; F209-L224 PolarHBondContact O-N 3.48Å; E212-L224 HydrophobicContact CB-CB 3.68Å; E212-L224 HydrophobicContact CB-CD2 4.31Å; L224-F226 HydrophobicContact CD2-CD2 4.47Å; L224-F226 HydrophobicContact CD2-CE2 3.68Å; L224-F226 HydrophobicContact CD2-CZ 3.9Å; L224-F226 HydrophobicContact CG-CE2 4.18Å
225	K	94.8	Very high	93.4	Very high	64 Å²	64	57.9 Å²	57.9	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.1	177.2	-63.2	167.6	-174.3	148.8	0	109.2	D118 I119 V120 M121 F206 Y207	D118-K225 IonicContact OD2-NZ 2.68Å; D118-K225 PolarHBondContact OD2-NZ 3.34Å; I119-K225 PolarHBondContact O-N 3Å; V120-K225 CarbonylContact C-O 3.6Å; V120-K225 VanDerWaalsContact CA-O 3.3Å; V120-K225 WeakPolarHBondContact CA-O 3.27Å; V120-K225 HydrophobicContact CG2-CB 4.45Å; M121-K225 PolarHBondContact N-O 3.39Å; F206-K225 HydrophobicContact CD1-CB 4.15Å; Y207-K225 CarbonylContact O-C 3.57Å; Y207-K225 WeakPolarHBondContact O-CA 3.44Å
226	F	96.3	Very high	93.4	Very high	1 Å²	1	57 Å²	57	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.7	170.7	-72.6	-82.9	0	0	0	109.9	M121 L123 V138 L193 V195 F206 Y207 F209 L224	M121-F226 HydrophobicContact CB-CD1 3.84Å; M121-F226 HydrophobicContact CB-CE1 3.96Å; M121-F226 HydrophobicContact CE-CE1 3.63Å; M121-F226 HydrophobicContact CE-CZ 4.23Å; M121-F226 CarbonylContact O-C 3.59Å; M121-F226 VanDerWaalsContact O-CA 3.25Å; M121-F226 WeakPolarHBondContact O-CA 3.39Å; M121-F226 HydrophobicContact SD-CE1 4.07Å; M121-F226 HydrophobicContact SD-CZ 4.35Å; L123-F226 HydrophobicContact CB-CB 4.38Å; L123-F226 HydrophobicContact CB-CD1 4.06Å; V138-F226 HydrophobicContact CB-CE1 4.39Å; V138-F226 HydrophobicContact CB-CZ 4.07Å; V138-F226 HydrophobicContact CG1-CE1 3.91Å; V138-F226 HydrophobicContact CG1-CZ 3.8Å; V138-F226 HydrophobicContact CG2-CE1 4.21Å; V138-F226 HydrophobicContact CG2-CZ 4.24Å; L193-F226 HydrophobicContact CD1-CE2 4Å; L193-F226 HydrophobicContact CD1-CZ 4.31Å; V195-F226 HydrophobicContact CG2-CD2 3.89Å; V195-F226 HydrophobicContact CG2-CE2 4.01Å; V195-F226 HydrophobicContact CG2-CG 4.3Å; F206-F226 CarbonylContact C-O 3.37Å; F206-F226 VanDerWaalsContact CA-O 3.32Å; F206-F226 WeakPolarHBondContact CA-O 3.25Å; Y207-F226 PolarHBondContact N-O 3.33Å; Y207-F226 PolarHBondContact O-N 3.1Å; F209-F226 AromaticContact CD2-CD2 3.64Å; F209-F226 HydrophobicContact CD2-CD2 3.64Å; F209-F226 AromaticContact CD2-CE2 3.69Å; F209-F226 HydrophobicContact CD2-CE2 3.69Å; F209-F226 AromaticContact CE2-CD2 3.48Å; F209-F226 HydrophobicContact CE2-CD2 3.48Å; F209-F226 VanDerWaalsContact CE2-CD2 3.48Å; F209-F226 AromaticContact CE2-CE2 3.53Å; F209-F226 HydrophobicContact CE2-CE2 3.53Å; F209-F226 HydrophobicContact CZ-CE2 4.5Å; L224-F226 HydrophobicContact CD2-CD2 4.47Å; L224-F226 HydrophobicContact CD2-CE2 3.68Å; L224-F226 HydrophobicContact CD2-CZ 3.9Å; L224-F226 HydrophobicContact CG-CE2 4.18Å
227	R	96.8	Very high	93.5	Very high	90 Å²	90	59.3 Å²	59.3	34%	0.34	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.4	168	-173.8	-177.5	-58.6	168.3	3.6	108.5	V120 M121 D122 L123 F206 K229	V120-R227 HydrophobicContact CG1-CB 4.24Å; M121-R227 PolarHBondContact O-N 2.87Å; D122-R227 WeakPolarHBondContact CA-O 3.25Å; D122-R227 WeakPolarHBondContact OD1-CD 3.26Å; D122-R227 IonicContact OD1-NE 3.2Å; L123-R227 PolarHBondContact N-O 2.64Å; F206-R227 HydrophobicContact CD1-CB 4.1Å; F206-R227 HydrophobicContact CE1-CB 3.83Å; F206-R227 HydrophobicContact CE1-CG 4.08Å; F206-R227 HydrophobicContact CZ-CG 4.38Å; R227-K229 PolarHBondContact O-N 3.49Å
228	I	95.9	Very high	93.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.1	178.1	-54.3	-61.9	0	0	0	108.3	L123 V125 L130 V195 L197 M201 G204 Y205	L123-I228 HydrophobicContact CB-CD1 4.22Å; L123-I228 HydrophobicContact CD2-CD1 3.83Å; L123-I228 HydrophobicContact CG-CD1 4.48Å; V125-I228 HydrophobicContact CB-CG2 4.42Å; V125-I228 HydrophobicContact CG2-CG2 4.07Å; L130-I228 HydrophobicContact CD2-CG2 4.21Å; V195-I228 HydrophobicContact CG1-CD1 4.18Å; L197-I228 HydrophobicContact CD2-CD1 3.83Å; M201-I228 HydrophobicContact SD-CB 4.33Å; M201-I228 HydrophobicContact SD-CD1 4.29Å; M201-I228 HydrophobicContact SD-CG1 3.67Å; M201-I228 HydrophobicContact SD-CG2 4.17Å; G204-I228 WeakPolarHBondContact CA-O 3.03Å; G204-I228 PolarHBondContact N-O 2.89Å; Y205-I228 HydrophobicContact CD1-CG1 4.25Å; Y205-I228 WeakPolarHBondContact O-CG1 3.2Å; Y205-I228 PolarHBondContact O-N 2.89Å
229	K	95.8	Very high	93.9	Very high	55 Å²	55	63.7 Å²	63.7	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	177.6	-75.7	-167.2	171	174.8	0	111	D122 L123 W124 V125 D203 R227 K231	D122-K229 HydrophobicContact CB-CD 4.06Å; D122-K229 VanDerWaalsContact CG-CE 3.43Å; D122-K229 WeakPolarHBondContact OD1-CE 3.28Å; D122-K229 IonicContact OD1-NZ 3.51Å; D122-K229 VanDerWaalsContact OD2-CE 3.24Å; D122-K229 WeakPolarHBondContact OD2-CE 3.35Å; D122-K229 IonicContact OD2-NZ 3.13Å; D122-K229 PolarHBondContact OD2-NZ 2.83Å; L123-K229 PolarHBondContact O-N 2.93Å; W124-K229 CarbonylContact C-O 3.55Å; W124-K229 WeakPolarHBondContact CA-O 3.29Å; W124-K229 HydrophobicContact CD2-CB 3.98Å; W124-K229 HydrophobicContact CE3-CB 3.61Å; W124-K229 HydrophobicContact CE3-CD 4.49Å; W124-K229 HydrophobicContact CH2-CB 4.31Å; W124-K229 HydrophobicContact CH2-CD 3.78Å; W124-K229 HydrophobicContact CZ2-CD 3.79Å; W124-K229 HydrophobicContact CZ3-CB 3.8Å; W124-K229 HydrophobicContact CZ3-CD 4.14Å; V125-K229 PolarHBondContact N-O 3.46Å; D203-K229 VanDerWaalsContact OD1-CA 3.29Å; D203-K229 WeakPolarHBondContact OD1-CA 3.34Å; R227-K229 PolarHBondContact O-N 3.49Å; K229-K231 PolarHBondContact O-N 3.41Å
230	Q	94.1	Very high	94.1	Very high	39 Å²	39	65.3 Å²	65.3	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.1	174.5	171.2	-180	-30	0	0	110.6	L127 D203	L127-Q230 HydrophobicContact CD2-CG 3.92Å; L127-Q230 HydrophobicContact CG-CG 4.4Å; D203-Q230 HydrophobicContact CB-CB 4.38Å; D203-Q230 PolarHBondContact OD1-N 2.85Å
231	K	95.2	Very high	94.3	Very high	122 Å²	122	62.5 Å²	62.5	53%	0.53	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-69.4	136.7	167.1	-169.3	178.8	-179.2	-179.2	0	109.4	V125 T126 K229 H233	V125-K231 WeakPolarHBondContact O-CB 3.42Å; V125-K231 PolarHBondContact O-N 3.01Å; T126-K231 HydrophobicContact CG2-CD 4.19Å; K229-K231 PolarHBondContact O-N 3.41Å; K231-H233 PolarHBondContact O-N 2.99Å
232	K	93.8	Very high	94.4	Very high	172 Å²	172	62.6 Å²	62.6	75%	0.748	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-59.6	124.7	172.7	-173.6	177.6	-179.2	178	0	109.4
233	H	92.9	Very high	94.6	Very high	38 Å²	38	62.4 Å²	62.4	18%	0.176	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-98.1	150.3	176.9	-176.5	-72	0	0	0	109.8	L127 E128 K231 I235 F236	L127-H233 HydrophobicContact CD1-CB 3.59Å; L127-H233 HydrophobicContact CG-CB 4.13Å; E128-H233 IonicContact OE1-CD2 3.81Å; E128-H233 PolarHBondContact OE1-CD2 3.1Å; E128-H233 IonicContact OE1-NE2 2.9Å; E128-H233 PolarHBondContact OE1-NE2 2.72Å; K231-H233 PolarHBondContact O-N 2.99Å; H233-I235 PolarHBondContact CE1-N 3.08Å; H233-I235 PolarHBondContact ND1-N 3.02Å; H233-F236 WeakPolarHBondContact CB-O 3.32Å; H233-F236 AromaticContact CE1-CD2 3.48Å; H233-F236 VanDerWaalsContact CE1-CD2 3.48Å; H233-F236 WeakPolarHBondContact CE1-CD2 3.32Å; H233-F236 AromaticContact ND1-CD2 3.96Å; H233-F236 PolarHBondContact ND1-N 3.35Å
234	N	91.3	Very high	94.7	Very high	164 Å²	164	63.2 Å²	63.2	88%	0.877	30%	0.299	S	S	*	.	S	Bend	trans	-79.7	-37.1	-172	-65.7	-22.6	0	0	0	113.4
235	I	92.4	Very high	94.7	Very high	98 Å²	98	63.3 Å²	63.3	50%	0.503	30%	0.3	S	S	.	.	S	Bend	trans	-102.7	-49.6	-174	-52.1	165.8	0	0	0	111.7	H233 T245	H233-I235 PolarHBondContact CE1-N 3.08Å; H233-I235 PolarHBondContact ND1-N 3.02Å; I235-T245 VanDerWaalsContact CG2-OG1 3.3Å; I235-T245 WeakPolarHBondContact CG2-OG1 3.36Å; I235-T245 WeakPolarHBondContact O-CB 3.37Å; I235-T245 PolarHBondContact O-OG1 2.94Å
236	F	95.7	Very high	94.7	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.6	178.3	-58.4	-72.2	0	0	0	113.4	L127 H233 L243 Y244 T245 F262 L265 L303	L127-F236 HydrophobicContact CD1-CB 4.07Å; H233-F236 WeakPolarHBondContact CB-O 3.32Å; H233-F236 AromaticContact CE1-CD2 3.48Å; H233-F236 VanDerWaalsContact CE1-CD2 3.48Å; H233-F236 WeakPolarHBondContact CE1-CD2 3.32Å; H233-F236 AromaticContact ND1-CD2 3.96Å; H233-F236 PolarHBondContact ND1-N 3.35Å; F236-L243 HydrophobicContact CB-CD2 4.47Å; F236-Y244 CarbonylContact C-O 3.59Å; F236-Y244 WeakPolarHBondContact CA-O 3.33Å; F236-T245 HydrophobicContact CD1-CG2 4.4Å; F236-T245 HydrophobicContact CE1-CG2 4.22Å; F236-F262 HydrophobicContact CE1-CE2 4.07Å; F236-F262 HydrophobicContact CZ-CD2 4.14Å; F236-F262 AromaticContact CZ-CE2 3.94Å; F236-F262 HydrophobicContact CZ-CE2 3.94Å; F236-L265 HydrophobicContact CD2-CD2 3.62Å; F236-L265 HydrophobicContact CD2-CG 4.1Å; F236-L265 HydrophobicContact CE2-CD2 4.18Å; F236-L265 HydrophobicContact CE2-CG 4.4Å; F236-L265 HydrophobicContact CG-CD2 4.34Å; F236-L303 HydrophobicContact CD1-CD1 4.06Å; F236-L303 HydrophobicContact CE1-CD1 3.98Å
237	H	95.3	Very high	94.7	Very high	106 Å²	106	64.2 Å²	64.2	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.1	168.8	-179	76.1	0	0	0	108.9	L243 Y244	H237-L243 CarbonylContact O-C 3.19Å; H237-Y244 PolarHBondContact N-O 3.2Å; H237-Y244 PolarHBondContact O-N 2.93Å
238	R	95.5	Very high	94.6	Very high	17 Å²	17	64.5 Å²	64.5	6%	0.064	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.9	-179.7	178.5	-175.9	179.9	-179.3	3.8	110.8	L127 G200 M201 G240 L243 M291	L127-R238 HydrophobicContact CD1-CB 4.35Å; L127-R238 HydrophobicContact CD2-CB 3.78Å; L127-R238 HydrophobicContact CD2-CG 4.42Å; G200-R238 PolarHBondContact O-NH2 3.34Å; M201-R238 PolarHBondContact O-NH1 3.04Å; M201-R238 PolarHBondContact O-NH2 3.21Å; R238-G240 PolarHBondContact NE-O 3.14Å; R238-G240 PolarHBondContact NH2-O 3.13Å; R238-L243 HydrophobicContact CB-CD2 3.97Å; R238-L243 HydrophobicContact CG-CD2 4.4Å; R238-M291 HydrophobicContact CG-CG 3.89Å
239	R	92.5	Very high	94.5	Very high	157 Å²	157	64.6 Å²	64.6	59%	0.592	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.1	166.8	-178.2	-175.6	178.4	175.8	0.3	109.5	D241 D242 Y244	R239-D241 PolarHBondContact O-N 2.94Å; R239-D242 PolarHBondContact N-O 3.34Å; R239-D242 PolarHBondContact O-N 2.92Å; R239-Y244 HydrophobicContact CB-CD2 4.2Å; R239-Y244 HydrophobicContact CB-CE2 3.79Å
240	G	92.5	Very high	94.5	Very high	53 Å²	53	64.8 Å²	64.8	55%	0.546	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-119.8	-174	0	0	0	0	0	110.9	R238	R238-G240 PolarHBondContact NE-O 3.14Å; R238-G240 PolarHBondContact NH2-O 3.13Å
241	D	94.4	Very high	94.5	Very high	43 Å²	43	65.2 Å²	65.2	23%	0.23	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.8	176.7	-62.4	-19.4	0	0	0	112.2	R239 G290 M291 N293 G301	R239-D241 PolarHBondContact O-N 2.94Å; D241-G290 CarbonylContact O-C 3.44Å; D241-M291 WeakPolarHBondContact O-CA 3.15Å; D241-M291 WeakPolarHBondContact O-CB 3.49Å; D241-M291 PolarHBondContact O-N 3.46Å; D241-N293 PolarHBondContact OD2-ND2 2.73Å; D241-G301 WeakPolarHBondContact O-CA 3.5Å
242	D	96	Very high	94.4	Very high	43 Å²	43	63.9 Å²	63.9	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.1	-176.5	-65	-25.3	0	0	0	112.2	R239 Y244 G301 S302 Y304	R239-D242 PolarHBondContact N-O 3.34Å; R239-D242 PolarHBondContact O-N 2.92Å; D242-Y244 HydrophobicContact CB-CE2 3.95Å; D242-G301 VanDerWaalsContact OD1-CA 3.29Å; D242-G301 WeakPolarHBondContact OD1-CA 3.27Å; D242-S302 CarbonylContact C-O 3.54Å; D242-S302 VanDerWaalsContact CA-O 3.32Å; D242-S302 WeakPolarHBondContact CA-O 3.04Å; D242-S302 WeakPolarHBondContact CB-O 3.36Å; D242-S302 PolarHBondContact OD1-N 3.13Å; D242-Y304 HydrophobicContact CB-CD2 4.39Å; D242-Y304 HydrophobicContact CB-CE2 4.07Å
243	L	96.4	Very high	94.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.5	175.8	-68.7	175.9	0	0	0	110.5	F236 H237 R238 L265 M291 S302 L303 Y304	F236-L243 HydrophobicContact CB-CD2 4.47Å; H237-L243 CarbonylContact O-C 3.19Å; R238-L243 HydrophobicContact CB-CD2 3.97Å; R238-L243 HydrophobicContact CG-CD2 4.4Å; L243-L265 HydrophobicContact CD1-CD1 3.68Å; L243-L265 HydrophobicContact CD1-CG 4.48Å; L243-L265 HydrophobicContact CD2-CD1 4.28Å; L243-M291 HydrophobicContact CD1-CG 4.49Å; L243-M291 HydrophobicContact CD1-SD 4.44Å; L243-M291 HydrophobicContact CD2-CG 3.78Å; L243-M291 HydrophobicContact CD2-SD 4.03Å; L243-M291 HydrophobicContact CG-CG 4.06Å; L243-S302 PolarHBondContact N-O 3.15Å; L243-L303 HydrophobicContact CB-CD1 3.6Å; L243-L303 CarbonylContact O-C 3.53Å; L243-L303 WeakPolarHBondContact O-CA 3.19Å; L243-Y304 PolarHBondContact O-N 2.59Å
244	Y	96.7	Very high	94.5	Very high	58 Å²	58	57.7 Å²	57.7	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.5	178.5	-64.9	-96.9	0	0	0	109	F236 H237 R239 D242 Y304	F236-Y244 CarbonylContact C-O 3.59Å; F236-Y244 WeakPolarHBondContact CA-O 3.33Å; H237-Y244 PolarHBondContact N-O 3.2Å; H237-Y244 PolarHBondContact O-N 2.93Å; R239-Y244 HydrophobicContact CB-CD2 4.2Å; R239-Y244 HydrophobicContact CB-CE2 3.79Å; D242-Y244 HydrophobicContact CB-CE2 3.95Å; Y244-Y304 CarbonylContact C-O 3.56Å; Y244-Y304 WeakPolarHBondContact CA-O 3.48Å; Y244-Y304 HydrophobicContact CD1-CD2 4.16Å; Y244-Y304 HydrophobicContact CD1-CG 4.25Å; Y244-Y304 AromaticContact CE1-CD2 3.59Å; Y244-Y304 HydrophobicContact CE1-CD2 3.59Å; Y244-Y304 HydrophobicContact CE1-CE2 4.37Å; Y244-Y304 AromaticContact CE1-CG 3.86Å; Y244-Y304 HydrophobicContact CE1-CG 3.86Å; Y244-Y304 HydrophobicContact CE2-CD2 4.25Å; Y244-Y304 AromaticContact CZ-CD2 3.64Å
245	T	95.6	Very high	94.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157	175	-169.1	0	0	0	0	110.5	I235 F236 L303 Y304 I305 T306	I235-T245 VanDerWaalsContact CG2-OG1 3.3Å; I235-T245 WeakPolarHBondContact CG2-OG1 3.36Å; I235-T245 WeakPolarHBondContact O-CB 3.37Å; I235-T245 PolarHBondContact O-OG1 2.94Å; F236-T245 HydrophobicContact CD1-CG2 4.4Å; F236-T245 HydrophobicContact CE1-CG2 4.22Å; T245-L303 HydrophobicContact CG2-CD1 4.07Å; T245-Y304 PolarHBondContact N-O 3.43Å; T245-I305 HydrophobicContact CG2-CB 4.26Å; T245-I305 HydrophobicContact CG2-CG1 3.79Å; T245-I305 HydrophobicContact CG2-CG2 4.24Å; T245-I305 CarbonylContact O-C 3.6Å; T245-I305 WeakPolarHBondContact O-CA 3.07Å; T245-T306 PolarHBondContact O-N 3.36Å
246	N	94.7	Very high	94.7	Very high	63 Å²	63	54 Å²	54	34%	0.337	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.8	176.1	-61.6	-11.1	0	0	0	108.5	T306	N246-T306 CarbonylContact C-O 3.09Å; N246-T306 WeakPolarHBondContact CA-O 3.07Å; N246-T306 WeakPolarHBondContact OD1-CB 3.48Å; N246-T306 PolarHBondContact OD1-OG1 2.93Å
247	I	94.4	Very high	94.6	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.108	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.5	176.7	-66.8	-179.9	0	0	0	108.4	L249 V260 F262 I272 I305 T306 I307 D308	I247-L249 HydrophobicContact CG2-CD2 4.11Å; I247-V260 HydrophobicContact CG2-CG1 4.43Å; I247-F262 HydrophobicContact CD1-CD1 3.57Å; I247-F262 HydrophobicContact CD1-CE1 3.31Å; I247-F262 HydrophobicContact CD1-CG 4.41Å; I247-F262 HydrophobicContact CD1-CZ 3.96Å; I247-I272 HydrophobicContact CD1-CD1 3.53Å; I247-I272 HydrophobicContact CG2-CD1 4.36Å; I247-I305 HydrophobicContact CB-CG2 4.11Å; I247-I305 HydrophobicContact CD1-CG2 3.52Å; I247-I305 HydrophobicContact CG1-CG2 3.77Å; I247-T306 PolarHBondContact N-O 3.42Å; I247-I307 HydrophobicContact CB-CD1 4.27Å; I247-D308 PolarHBondContact O-N 2.82Å
248	T	94.6	Very high	94.6	Very high	96 Å²	96	50.3 Å²	50.3	59%	0.589	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.6	177	48.3	0	0	0	0	110.1	D308	T248-D308 CarbonylContact C-O 3.59Å; T248-D308 VanDerWaalsContact CA-O 3.27Å; T248-D308 WeakPolarHBondContact CA-O 3.17Å; T248-D308 HydrophobicContact CG2-CB 4.01Å
249	L	94.9	Very high	94.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146	171.7	-62	-175.1	0	0	0	110	I247 Q253 Y258 V260 I307 D308 V309 Q310	I247-L249 HydrophobicContact CG2-CD2 4.11Å; L249-Q253 HydrophobicContact CB-CB 4.4Å; L249-Y258 HydrophobicContact CD1-CD1 3.43Å; L249-Y258 VanDerWaalsContact CD1-CD1 3.43Å; L249-Y258 HydrophobicContact CD1-CD2 4.09Å; L249-Y258 HydrophobicContact CD1-CE1 3.69Å; L249-Y258 HydrophobicContact CD1-CE2 4.33Å; L249-Y258 HydrophobicContact CD1-CG 3.65Å; L249-Y258 HydrophobicContact CD2-CD2 4.42Å; L249-Y258 HydrophobicContact CD2-CG 4.28Å; L249-V260 HydrophobicContact CD2-CG2 3.72Å; L249-I307 HydrophobicContact CB-CG2 4.43Å; L249-I307 HydrophobicContact CD1-CD1 4.22Å; L249-I307 HydrophobicContact CD1-CG2 3.63Å; L249-I307 HydrophobicContact CG-CD1 4.49Å; L249-I307 HydrophobicContact CG-CG2 3.98Å; L249-D308 PolarHBondContact N-O 3.24Å; L249-V309 CarbonylContact O-C 3.59Å; L249-V309 WeakPolarHBondContact O-CA 3.03Å; L249-Q310 PolarHBondContact O-N 2.83Å
250	T	96	Very high	94.7	Very high	60 Å²	60	49.8 Å²	49.8	37%	0.368	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	154.2	168.7	61.9	0	0	0	0	110.7	V252 Q253 S254	T250-V252 PolarHBondContact O-N 2.76Å; T250-V252 VanDerWaalsContact O-N 3.16Å; T250-Q253 WeakPolarHBondContact O-CB 3.13Å; T250-Q253 PolarHBondContact O-N 2.96Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.36Å; T250-Q253 VanDerWaalsContact OG1-CD 3.25Å; T250-Q253 VanDerWaalsContact OG1-CG 3.22Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.45Å; T250-Q253 PolarHBondContact OG1-N 3.18Å; T250-Q253 PolarHBondContact OG1-OE1 2.95Å; T250-S254 PolarHBondContact O-N 3.34Å
251	L	93.9	Very high	94.8	Very high	48 Å²	48	50.1 Å²	50.1	25%	0.251	27%	0.272	S	S	.	.	H	α-helix	trans	-53.3	-36.1	174.4	-179.2	63.6	0	0	0	112.9	S254 L255 V309 Q310 F311	L251-S254 WeakPolarHBondContact CA-OG 3.34Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 PolarHBondContact O-OG 3.44Å; L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.32Å; L251-L255 HydrophobicContact CG-CD1 4.23Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.45Å; L251-V309 HydrophobicContact CB-CG1 4.35Å; L251-V309 HydrophobicContact CD1-CG1 4.22Å; L251-Q310 PolarHBondContact N-O 2.98Å; L251-Q310 VanDerWaalsContact N-O 3.11Å; L251-F311 HydrophobicContact CD1-CD1 4.24Å; L251-F311 HydrophobicContact CD1-CE1 3.74Å; L251-F311 HydrophobicContact CD1-CZ 4.11Å; L251-F311 HydrophobicContact CD2-CD1 3.85Å; L251-F311 HydrophobicContact CD2-CE1 4Å; L251-F311 HydrophobicContact CG-CE1 4.44Å
252	V	93.2	Very high	94.8	Very high	94 Å²	94	49.2 Å²	49.2	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-67.6	-43.9	178.4	179.4	0	0	0	0	110.8	T250 S254 L255 N256	T250-V252 PolarHBondContact O-N 2.76Å; T250-V252 VanDerWaalsContact O-N 3.16Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-L255 PolarHBondContact O-N 3.26Å; V252-N256 WeakPolarHBondContact O-CB 3.31Å; V252-N256 PolarHBondContact O-N 2.79Å
253	Q	94.9	Very high	94.8	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-36.4	176.2	-75.5	167.3	-30.7	0	0	112.3	L249 T250 L255 G257	L249-Q253 HydrophobicContact CB-CB 4.4Å; T250-Q253 WeakPolarHBondContact O-CB 3.13Å; T250-Q253 PolarHBondContact O-N 2.96Å; T250-Q253 WeakPolarHBondContact OG1-CB 3.36Å; T250-Q253 VanDerWaalsContact OG1-CD 3.25Å; T250-Q253 VanDerWaalsContact OG1-CG 3.22Å; T250-Q253 WeakPolarHBondContact OG1-CG 3.45Å; T250-Q253 PolarHBondContact OG1-N 3.18Å; T250-Q253 PolarHBondContact OG1-OE1 2.95Å; Q253-L255 VanDerWaalsContact C-N 3.26Å; Q253-L255 PolarHBondContact O-N 2.96Å; Q253-G257 CarbonylContact O-C 3.58Å; Q253-G257 WeakPolarHBondContact O-CA 3.43Å; Q253-G257 PolarHBondContact O-N 2.88Å; Q253-G257 VanDerWaalsContact O-N 3.16Å
254	S	94.3	Very high	94.7	Very high	4 Å²	4	51 Å²	51	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-26.4	177.4	70.6	0	0	0	0	112.6	T250 L251 V252 V277 T278	T250-S254 PolarHBondContact O-N 3.34Å; L251-S254 WeakPolarHBondContact CA-OG 3.34Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 PolarHBondContact O-OG 3.44Å; V252-S254 VanDerWaalsContact C-N 3.34Å; S254-V277 CarbonylContact O-C 3.56Å; S254-V277 WeakPolarHBondContact O-CA 3.21Å; S254-T278 PolarHBondContact O-N 2.94Å
255	L	93.7	Very high	94.6	Very high	57 Å²	57	48.8 Å²	48.8	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-91.3	-42	179.8	-67.7	179.4	0	0	0	113.6	L251 V252 Q253 V277 F329	L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.32Å; L251-L255 HydrophobicContact CG-CD1 4.23Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.45Å; V252-L255 PolarHBondContact O-N 3.26Å; Q253-L255 VanDerWaalsContact C-N 3.26Å; Q253-L255 PolarHBondContact O-N 2.96Å; L255-V277 HydrophobicContact CD2-CG1 3.87Å; L255-V277 WeakPolarHBondContact O-CG2 3.45Å; L255-F329 HydrophobicContact CD1-CZ 4.1Å; L255-F329 HydrophobicContact CD2-CE1 4.14Å; L255-F329 HydrophobicContact CD2-CZ 3.7Å
256	N	93.5	Very high	94.5	Very high	129 Å²	129	51.8 Å²	51.8	69%	0.69	29%	0.287	S	S	*	.	H	α-helix	trans	-91.3	-4.1	-175.3	-69.6	-14.4	0	0	0	113.7	V252	V252-N256 WeakPolarHBondContact O-CB 3.31Å; V252-N256 PolarHBondContact O-N 2.79Å
257	G	93.6	Very high	94.4	Very high	15 Å²	15	51.3 Å²	51.3	16%	0.155	30%	0.296	C	S	.	.			trans	91.5	161.9	-167.1	0	0	0	0	0	112.7	Q253 S274	Q253-G257 CarbonylContact O-C 3.58Å; Q253-G257 WeakPolarHBondContact O-CA 3.43Å; Q253-G257 PolarHBondContact O-N 2.88Å; Q253-G257 VanDerWaalsContact O-N 3.16Å; G257-S274 CarbonylContact C-O 3.39Å; G257-S274 WeakPolarHBondContact CA-O 3.4Å
258	Y	95.5	Very high	94.4	Very high	19 Å²	19	53 Å²	53	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.5	-174.2	58.6	-88.4	0	0	0	111.1	L249 V260 I272 S273 S274 T278 I284	L249-Y258 HydrophobicContact CD1-CD1 3.43Å; L249-Y258 VanDerWaalsContact CD1-CD1 3.43Å; L249-Y258 HydrophobicContact CD1-CD2 4.09Å; L249-Y258 HydrophobicContact CD1-CE1 3.69Å; L249-Y258 HydrophobicContact CD1-CE2 4.33Å; L249-Y258 HydrophobicContact CD1-CG 3.65Å; L249-Y258 HydrophobicContact CD2-CD2 4.42Å; L249-Y258 HydrophobicContact CD2-CG 4.28Å; Y258-V260 HydrophobicContact CD2-CG2 4.37Å; Y258-I272 HydrophobicContact CD2-CG1 4.5Å; Y258-I272 HydrophobicContact CE2-CB 4.27Å; Y258-I272 HydrophobicContact CE2-CD1 4.07Å; Y258-I272 HydrophobicContact CE2-CG1 4.17Å; Y258-S273 WeakPolarHBondContact O-CA 3.4Å; Y258-S273 WeakPolarHBondContact O-CB 3.44Å; Y258-S274 PolarHBondContact N-O 2.89Å; Y258-S274 PolarHBondContact O-N 3.38Å; Y258-S274 VanDerWaalsContact O-N 3.08Å; Y258-T278 HydrophobicContact CE1-CG2 4.24Å; Y258-T278 WeakPolarHBondContact CE1-OG1 3.32Å; Y258-I284 HydrophobicContact CE2-CD1 4.4Å; Y258-I284 WeakPolarHBondContact OH-CD1 3.32Å
259	H	95.7	Very high	94.4	Very high	131 Å²	131	53.7 Å²	53.7	61%	0.606	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	100.4	168.1	-178.3	-74.3	0	0	0	107.5
260	V	94.4	Very high	94.4	Very high	33 Å²	33	54 Å²	54	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.3	-177.9	179	0	0	0	0	109.1	I247 L249 Y258 I272	I247-V260 HydrophobicContact CG2-CG1 4.43Å; L249-V260 HydrophobicContact CD2-CG2 3.72Å; Y258-V260 HydrophobicContact CD2-CG2 4.37Å; V260-I272 HydrophobicContact CB-CD1 4.15Å; V260-I272 HydrophobicContact CB-CG1 3.85Å; V260-I272 PolarHBondContact N-O 2.79Å; V260-I272 WeakPolarHBondContact O-CG1 3.34Å; V260-I272 PolarHBondContact O-N 2.95Å
261	T	95.1	Very high	94.4	Very high	60 Å²	60	54 Å²	54	37%	0.368	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.6	176.6	-51.5	0	0	0	0	108.7	Q269 V270 V271	T261-Q269 HydrophobicContact CG2-CB 3.65Å; T261-Q269 HydrophobicContact CG2-CG 4.24Å; T261-V270 WeakPolarHBondContact CA-O 3.49Å; T261-V271 HydrophobicContact CG2-CG2 3.98Å
262	F	93.9	Very high	94.4	Very high	24 Å²	24	51.9 Å²	51.9	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.4	179.3	61.7	-87.2	0	0	0	110.9	F236 I247 V270 I272 L303 I305	F236-F262 HydrophobicContact CE1-CE2 4.07Å; F236-F262 HydrophobicContact CZ-CD2 4.14Å; F236-F262 AromaticContact CZ-CE2 3.94Å; F236-F262 HydrophobicContact CZ-CE2 3.94Å; I247-F262 HydrophobicContact CD1-CD1 3.57Å; I247-F262 HydrophobicContact CD1-CE1 3.31Å; I247-F262 HydrophobicContact CD1-CG 4.41Å; I247-F262 HydrophobicContact CD1-CZ 3.96Å; F262-V270 HydrophobicContact CD2-CB 4.43Å; F262-V270 HydrophobicContact CE1-CB 4.02Å; F262-V270 HydrophobicContact CE1-CG1 3.95Å; F262-V270 HydrophobicContact CE2-CB 3.91Å; F262-V270 HydrophobicContact CE2-CG1 4.33Å; F262-V270 HydrophobicContact CE2-CG2 4.28Å; F262-V270 HydrophobicContact CZ-CB 3.69Å; F262-V270 HydrophobicContact CZ-CG1 3.65Å; F262-V270 HydrophobicContact CZ-CG2 4.4Å; F262-V270 PolarHBondContact N-O 3.47Å; F262-V270 PolarHBondContact O-N 3.31Å; F262-I272 HydrophobicContact CE1-CD1 4.42Å; F262-I272 HydrophobicContact CE1-CG1 4.39Å; F262-I272 HydrophobicContact CE1-CG2 4.38Å; F262-L303 HydrophobicContact CE2-CD2 4.33Å; F262-L303 HydrophobicContact CZ-CD2 4.14Å; F262-I305 HydrophobicContact CE1-CD1 4.11Å; F262-I305 HydrophobicContact CZ-CD1 3.79Å; F262-I305 HydrophobicContact CZ-CG1 4.48Å
263	P	95.2	Very high	94.4	Very high	71 Å²	71	51 Å²	51	46%	0.461	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.6	178.7	29.6	-34	0	0	0	111.6	Q269	P263-Q269 VanDerWaalsContact CA-OE1 3.27Å
264	H	95.5	Very high	94.4	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.042	28%	0.281	C	S	.	.			trans	-83.6	176.2	168.6	-158.6	-86.7	0	0	0	111.4	Y131 D266 G267 H268 V270 E289	Y131-H264 AromaticContact CE2-CE1 3.54Å; Y131-H264 AromaticContact CZ-CE1 3.87Å; Y131-H264 AromaticContact CZ-ND1 3.92Å; H264-D266 IonicContact ND1-OD1 3.5Å; H264-D266 PolarHBondContact O-N 3.08Å; H264-G267 PolarHBondContact O-N 3.19Å; H264-H268 WeakPolarHBondContact CB-CE1 3.45Å; H264-H268 WeakPolarHBondContact CB-O 3.26Å; H264-H268 AromaticContact CD2-CE1 3.96Å; H264-H268 AromaticContact CG-CE1 3.34Å; H264-H268 AromaticContact CG-ND1 4Å; H264-H268 AromaticContact CG-NE2 3.85Å; H264-H268 PolarHBondContact N-O 3.09Å; H264-H268 AromaticContact ND1-CE1 3.74Å; H264-V270 HydrophobicContact CB-CG2 4.04Å; H264-E289 PolarHBondContact CE1-O 2.89Å; H264-E289 PolarHBondContact NE2-O 3.26Å
265	L	94.3	Very high	94.4	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.1	-178.9	-64.1	175.7	0	0	0	115.5	L127 E128 Y131 F236 L243 M291	L127-L265 HydrophobicContact CB-CD1 4.09Å; L127-L265 HydrophobicContact CB-CD2 3.83Å; E128-L265 HydrophobicContact CG-CD2 4Å; Y131-L265 HydrophobicContact CD1-CB 4.25Å; Y131-L265 HydrophobicContact CD2-CB 4.12Å; Y131-L265 HydrophobicContact CD2-CD1 3.84Å; Y131-L265 HydrophobicContact CG-CB 3.83Å; Y131-L265 HydrophobicContact CG-CD1 4.18Å; F236-L265 HydrophobicContact CD2-CD2 3.62Å; F236-L265 HydrophobicContact CD2-CG 4.1Å; F236-L265 HydrophobicContact CE2-CD2 4.18Å; F236-L265 HydrophobicContact CE2-CG 4.4Å; F236-L265 HydrophobicContact CG-CD2 4.34Å; L243-L265 HydrophobicContact CD1-CD1 3.68Å; L243-L265 HydrophobicContact CD1-CG 4.48Å; L243-L265 HydrophobicContact CD2-CD1 4.28Å; L265-M291 HydrophobicContact CD1-SD 3.81Å
266	D	92.8	Very high	94.3	Very high	67 Å²	67	61.7 Å²	61.7	36%	0.358	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	1	175	59.2	-6	0	0	0	112.9	Y131 V132 H264 H268	Y131-D266 HydrophobicContact CD1-CB 3.89Å; Y131-D266 HydrophobicContact CE1-CB 3.65Å; V132-D266 HydrophobicContact CG2-CB 4.26Å; H264-D266 IonicContact ND1-OD1 3.5Å; H264-D266 PolarHBondContact O-N 3.08Å; D266-H268 IonicContact OD1-CE1 2.65Å; D266-H268 IonicContact OD1-CG 3.39Å; D266-H268 PolarHBondContact OD1-N 2.9Å; D266-H268 VanDerWaalsContact OD1-N 3.09Å; D266-H268 IonicContact OD1-ND1 2.89Å; D266-H268 PolarHBondContact OD1-ND1 2.83Å; D266-H268 IonicContact OD2-CE1 3.68Å; D266-H268 IonicContact OD2-CG 3.87Å; D266-H268 IonicContact OD2-ND1 3.99Å; D266-H268 PolarHBondContact OD2-ND1 3.45Å
267	G	92.7	Very high	94.2	Very high	52 Å²	52	59.8 Å²	59.8	54%	0.536	33%	0.331	S	S	.	.	S	Bend	trans	85	0.6	-177.7	0	0	0	0	0	115.2	H264	H264-G267 PolarHBondContact O-N 3.19Å
268	H	94.5	Very high	94.2	Very high	57 Å²	57	59.7 Å²	59.7	26%	0.264	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-71.4	152.8	171.2	84.9	-103.5	0	0	0	110.6	H264 D266 V270 E289	H264-H268 WeakPolarHBondContact CB-CE1 3.45Å; H264-H268 WeakPolarHBondContact CB-O 3.26Å; H264-H268 AromaticContact CD2-CE1 3.96Å; H264-H268 AromaticContact CG-CE1 3.34Å; H264-H268 AromaticContact CG-ND1 4Å; H264-H268 AromaticContact CG-NE2 3.85Å; H264-H268 PolarHBondContact N-O 3.09Å; H264-H268 AromaticContact ND1-CE1 3.74Å; D266-H268 IonicContact OD1-CE1 2.65Å; D266-H268 IonicContact OD1-CG 3.39Å; D266-H268 PolarHBondContact OD1-N 2.9Å; D266-H268 VanDerWaalsContact OD1-N 3.09Å; D266-H268 IonicContact OD1-ND1 2.89Å; D266-H268 PolarHBondContact OD1-ND1 2.83Å; D266-H268 IonicContact OD2-CE1 3.68Å; D266-H268 IonicContact OD2-CG 3.87Å; D266-H268 IonicContact OD2-ND1 3.99Å; D266-H268 PolarHBondContact OD2-ND1 3.45Å; H268-V270 VanDerWaalsContact NE2-CG2 3.29Å; H268-V270 WeakPolarHBondContact NE2-CG2 3.3Å; H268-E289 IonicContact CE1-OE2 2.78Å; H268-E289 PolarHBondContact CE1-OE2 3.4Å; H268-E289 IonicContact NE2-OE1 2.93Å; H268-E289 IonicContact NE2-OE2 3.82Å; H268-E289 PolarHBondContact NE2-OE2 3.4Å
269	Q	95.5	Very high	94.1	Very high	110 Å²	110	62.4 Å²	62.4	51%	0.514	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.3	-176.3	-66.1	-65	96.7	0	0	110.9	T261 P263	T261-Q269 HydrophobicContact CG2-CB 3.65Å; T261-Q269 HydrophobicContact CG2-CG 4.24Å; P263-Q269 VanDerWaalsContact CA-OE1 3.27Å
270	V	94.7	Very high	94.1	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.1	173.2	-180	0	0	0	0	108.9	T261 F262 H264 H268	T261-V270 WeakPolarHBondContact CA-O 3.49Å; F262-V270 HydrophobicContact CD2-CB 4.43Å; F262-V270 HydrophobicContact CE1-CB 4.02Å; F262-V270 HydrophobicContact CE1-CG1 3.95Å; F262-V270 HydrophobicContact CE2-CB 3.91Å; F262-V270 HydrophobicContact CE2-CG1 4.33Å; F262-V270 HydrophobicContact CE2-CG2 4.28Å; F262-V270 HydrophobicContact CZ-CB 3.69Å; F262-V270 HydrophobicContact CZ-CG1 3.65Å; F262-V270 HydrophobicContact CZ-CG2 4.4Å; F262-V270 PolarHBondContact N-O 3.47Å; F262-V270 PolarHBondContact O-N 3.31Å; H264-V270 HydrophobicContact CB-CG2 4.04Å; H268-V270 VanDerWaalsContact NE2-CG2 3.29Å; H268-V270 WeakPolarHBondContact NE2-CG2 3.3Å
271	V	94.9	Very high	94	Very high	62 Å²	62	59.9 Å²	59.9	38%	0.376	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.9	177.1	-175.4	0	0	0	0	109.9	T261 K286	T261-V271 HydrophobicContact CG2-CG2 3.98Å; V271-K286 PolarHBondContact O-NZ 3.08Å
272	I	93.8	Very high	93.9	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.8	168.7	57.7	166.9	0	0	0	109.2	I247 Y258 V260 F262 I284 I305 I307	I247-I272 HydrophobicContact CD1-CD1 3.53Å; I247-I272 HydrophobicContact CG2-CD1 4.36Å; Y258-I272 HydrophobicContact CD2-CG1 4.5Å; Y258-I272 HydrophobicContact CE2-CB 4.27Å; Y258-I272 HydrophobicContact CE2-CD1 4.07Å; Y258-I272 HydrophobicContact CE2-CG1 4.17Å; V260-I272 HydrophobicContact CB-CD1 4.15Å; V260-I272 HydrophobicContact CB-CG1 3.85Å; V260-I272 PolarHBondContact N-O 2.79Å; V260-I272 WeakPolarHBondContact O-CG1 3.34Å; V260-I272 PolarHBondContact O-N 2.95Å; F262-I272 HydrophobicContact CE1-CD1 4.42Å; F262-I272 HydrophobicContact CE1-CG1 4.39Å; F262-I272 HydrophobicContact CE1-CG2 4.38Å; I272-I284 HydrophobicContact CB-CD1 4.48Å; I272-I284 HydrophobicContact CD1-CD1 4.37Å; I272-I305 HydrophobicContact CD1-CG2 4.49Å; I272-I305 HydrophobicContact CG2-CD1 3.66Å; I272-I307 HydrophobicContact CD1-CD1 4.42Å
273	S	94.2	Very high	94	Very high	76 Å²	76	62.3 Å²	62.3	53%	0.531	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146	176.6	59.2	0	0	0	0	111	Y258	Y258-S273 WeakPolarHBondContact O-CA 3.4Å; Y258-S273 WeakPolarHBondContact O-CB 3.44Å
274	S	94.2	Very high	93.9	Very high	27 Å²	27	60.5 Å²	60.5	19%	0.189	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	137	173.3	178	0	0	0	0	108.3	G257 Y258 Y276	G257-S274 CarbonylContact C-O 3.39Å; G257-S274 WeakPolarHBondContact CA-O 3.4Å; Y258-S274 PolarHBondContact N-O 2.89Å; Y258-S274 PolarHBondContact O-N 3.38Å; Y258-S274 VanDerWaalsContact O-N 3.08Å; S274-Y276 PolarHBondContact OG-N 2.89Å; S274-Y276 PolarHBondContact OG-O 3.37Å
275	D	93.8	Very high	93.9	Very high	145 Å²	145	64.5 Å²	64.5	78%	0.775	37%	0.368	S	S	*	.	S	Bend	trans	-93.7	-0.8	173.4	-58.1	-39.8	0	0	0	112
276	Y	92.1	Very high	94	Very high	188 Å²	188	67.3 Å²	67.3	74%	0.737	38%	0.379	S	S	*	.	S	Bend	trans	-103.1	152.5	-178.2	-60	-83.8	0	0	0	112.2	S274 T278	S274-Y276 PolarHBondContact OG-N 2.89Å; S274-Y276 PolarHBondContact OG-O 3.37Å; Y276-T278 PolarHBondContact O-N 3.38Å; Y276-T278 PolarHBondContact O-OG1 3.02Å
277	V	92.5	Very high	94.1	Very high	89 Å²	89	67.7 Å²	67.7	54%	0.539	39%	0.385	S	S	.	.			trans	-54.4	124.7	171.7	179.6	0	0	0	0	109.9	S254 L255	S254-V277 CarbonylContact O-C 3.56Å; S254-V277 WeakPolarHBondContact O-CA 3.21Å; L255-V277 HydrophobicContact CD2-CG1 3.87Å; L255-V277 WeakPolarHBondContact O-CG2 3.45Å
278	T	93.1	Very high	94.2	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.086	39%	0.386	C	S	.	.			trans	-115.4	120.1	-177.5	-61	0	0	0	0	110.1	S254 Y258 Y276 T282 I307	S254-T278 PolarHBondContact O-N 2.94Å; Y258-T278 HydrophobicContact CE1-CG2 4.24Å; Y258-T278 WeakPolarHBondContact CE1-OG1 3.32Å; Y276-T278 PolarHBondContact O-N 3.38Å; Y276-T278 PolarHBondContact O-OG1 3.02Å; T278-T282 HydrophobicContact CG2-CG2 4.18Å; T278-I307 HydrophobicContact CG2-CB 4.42Å; T278-I307 HydrophobicContact CG2-CG1 4.35Å; T278-I307 HydrophobicContact CG2-CG2 4.13Å
279	S	93.2	Very high	94.2	Very high	75 Å²	75	70 Å²	70	52%	0.524	39%	0.386	S	S	.	.			trans	-74.7	149.8	178.6	-57.3	0	0	0	0	111.6	T282	S279-T282 WeakPolarHBondContact O-CB 3.49Å; S279-T282 PolarHBondContact O-N 2.99Å; S279-T282 PolarHBondContact O-OG1 2.9Å
280	P	94.8	Very high	94.2	Very high	85 Å²	85	64.8 Å²	64.8	55%	0.552	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	144.1	171.3	26.3	-33.6	0	0	0	111	T282 V309	P280-T282 VanDerWaalsContact C-N 3.27Å; P280-T282 PolarHBondContact O-N 3.13Å; P280-V309 HydrophobicContact CB-CB 4.1Å; P280-V309 HydrophobicContact CB-CG2 3.88Å
281	G	93	Very high	94.3	Very high	27 Å²	27	64.4 Å²	64.4	28%	0.278	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	0.4	-176.3	0	0	0	0	0	114.5	I283 I307	G281-I283 PolarHBondContact O-N 3.42Å; G281-I307 PolarHBondContact N-O 3.06Å
282	T	93.6	Very high	94.3	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.331	34%	0.343	S	S	.	.			trans	-60.6	132.9	173.7	-61	0	0	0	0	109.9	T278 S279 P280 I307	T278-T282 HydrophobicContact CG2-CG2 4.18Å; S279-T282 WeakPolarHBondContact O-CB 3.49Å; S279-T282 PolarHBondContact O-N 2.99Å; S279-T282 PolarHBondContact O-OG1 2.9Å; P280-T282 VanDerWaalsContact C-N 3.27Å; P280-T282 PolarHBondContact O-N 3.13Å; T282-I307 PolarHBondContact O-N 3.09Å
283	I	95.5	Very high	94.3	Very high	80 Å²	80	62.9 Å²	62.9	41%	0.41	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.3	178.1	-58.3	173.2	0	0	0	108.8	G281 Y304 I305	G281-I283 PolarHBondContact O-N 3.42Å; I283-Y304 HydrophobicContact CG2-CD1 4.03Å; I283-I305 CarbonylContact C-O 3.57Å; I283-I305 WeakPolarHBondContact CA-O 3.47Å
284	I	94.1	Very high	94.2	Very high	34 Å²	34	61.5 Å²	61.5	17%	0.174	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.7	172	-53.3	170.8	0	0	0	107.9	Y258 I272 I305 I307	Y258-I284 HydrophobicContact CE2-CD1 4.4Å; Y258-I284 WeakPolarHBondContact OH-CD1 3.32Å; I272-I284 HydrophobicContact CB-CD1 4.48Å; I272-I284 HydrophobicContact CD1-CD1 4.37Å; I284-I305 HydrophobicContact CB-CB 4.2Å; I284-I305 PolarHBondContact N-O 3.41Å; I284-I305 PolarHBondContact O-N 3.17Å; I284-I307 HydrophobicContact CD1-CD1 3.83Å; I284-I307 HydrophobicContact CD1-CG1 3.97Å; I284-I307 HydrophobicContact CG1-CG1 4.31Å
285	H	95.7	Very high	94	Very high	93 Å²	93	67.8 Å²	67.8	43%	0.431	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.7	175.6	175	-124.4	0	0	0	110.4	S302 Y304	H285-S302 VanDerWaalsContact NE2-CB 3.27Å; H285-S302 WeakPolarHBondContact NE2-CB 3.41Å; H285-S302 PolarHBondContact NE2-OG 3.44Å; H285-Y304 HydrophobicContact CB-CD1 4.48Å; H285-Y304 HydrophobicContact CB-CE1 4.44Å; H285-Y304 AromaticContact CD2-CE1 3.5Å; H285-Y304 VanDerWaalsContact CD2-CE1 3.5Å; H285-Y304 WeakPolarHBondContact CD2-CE1 3.45Å; H285-Y304 AromaticContact CD2-CZ 3.88Å
286	K	95.3	Very high	93.8	Very high	69 Å²	69	63.9 Å²	63.9	30%	0.3	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	100.8	172.4	-72	-70.3	-167.9	166.8	0	108.9	V271 E289 L303 I305	V271-K286 PolarHBondContact O-NZ 3.08Å; K286-E289 HydrophobicContact CB-CB 4.23Å; K286-E289 HydrophobicContact CB-CG 4.06Å; K286-L303 HydrophobicContact CB-CB 4.18Å; K286-L303 PolarHBondContact N-O 2.7Å; K286-L303 PolarHBondContact O-N 2.87Å; K286-I305 HydrophobicContact CG-CD1 4.29Å
287	P	95.1	Very high	93.6	Very high	75 Å²	75	58.7 Å²	58.7	49%	0.487	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	149.7	-179.5	28.1	-34.3	0	0	0	111.5	E289	P287-E289 PolarHBondContact O-N 2.99Å
288	N	94.7	Very high	93.5	Very high	103 Å²	103	63.7 Å²	63.7	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	5.3	-180	-56	-56.5	0	0	0	116.4	R300 G301	N288-R300 HydrophobicContact CB-CB 4.39Å; N288-R300 WeakPolarHBondContact O-CB 3.4Å; N288-R300 VanDerWaalsContact O-CD 3.23Å; N288-R300 WeakPolarHBondContact O-CD 3.46Å; N288-G301 CarbonylContact C-O 3.5Å; N288-G301 WeakPolarHBondContact CA-O 3.26Å; N288-G301 PolarHBondContact N-O 2.88Å; N288-G301 VanDerWaalsContact N-O 3.14Å
289	E	94.9	Very high	93.6	Very high	55 Å²	55	71.4 Å²	71.4	26%	0.257	37%	0.366	S	S	.	.			trans	-96.1	12.3	173	-60.4	-60.5	173.5	0	0	112.7	H264 H268 K286 P287 G301 L303	H264-E289 PolarHBondContact CE1-O 2.89Å; H264-E289 PolarHBondContact NE2-O 3.26Å; H268-E289 IonicContact CE1-OE2 2.78Å; H268-E289 PolarHBondContact CE1-OE2 3.4Å; H268-E289 IonicContact NE2-OE1 2.93Å; H268-E289 IonicContact NE2-OE2 3.82Å; H268-E289 PolarHBondContact NE2-OE2 3.4Å; K286-E289 HydrophobicContact CB-CB 4.23Å; K286-E289 HydrophobicContact CB-CG 4.06Å; P287-E289 PolarHBondContact O-N 2.99Å; E289-G301 PolarHBondContact N-O 3.36Å; E289-L303 HydrophobicContact CB-CB 3.69Å; E289-L303 HydrophobicContact CB-CD2 4.27Å
290	G	95.1	Very high	93.6	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	-86.6	-171	173.1	0	0	0	0	0	113.3	Y131 D241 G301	Y131-G290 WeakPolarHBondContact CE2-O 3.45Å; D241-G290 CarbonylContact O-C 3.44Å; G290-G301 VanDerWaalsContact CA-C 3.47Å; G290-G301 WeakPolarHBondContact CA-O 3.46Å; G290-G301 PolarHBondContact N-O 3.35Å
291	M	95.9	Very high	93.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63.2	146.9	173.5	-65.5	-67.4	-65.5	0	0	111.2	L130 Y131 R238 D241 L243 L265 R300 G301	L130-M291 HydrophobicContact CB-CE 3.8Å; Y131-M291 HydrophobicContact CD2-SD 3.86Å; R238-M291 HydrophobicContact CG-CG 3.89Å; D241-M291 WeakPolarHBondContact O-CA 3.15Å; D241-M291 WeakPolarHBondContact O-CB 3.49Å; D241-M291 PolarHBondContact O-N 3.46Å; L243-M291 HydrophobicContact CD1-CG 4.49Å; L243-M291 HydrophobicContact CD1-SD 4.44Å; L243-M291 HydrophobicContact CD2-CG 3.78Å; L243-M291 HydrophobicContact CD2-SD 4.03Å; L243-M291 HydrophobicContact CG-CG 4.06Å; L265-M291 HydrophobicContact CD1-SD 3.81Å; M291-R300 WeakPolarHBondContact O-CA 3.47Å; M291-G301 PolarHBondContact O-N 2.86Å
292	P	96.1	Very high	93.8	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.039	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-64.5	144.6	168.1	25.6	-30.9	0	0	0	110.5	P199 G200	P199-P292 HydrophobicContact CB-CB 4.39Å; P199-P292 HydrophobicContact CB-CG 3.84Å; G200-P292 WeakPolarHBondContact CA-O 2.96Å
293	N	93.8	Very high	93.9	Very high	26 Å²	26	66.5 Å²	66.5	14%	0.139	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-75.5	131.6	175.2	177.6	-85.4	0	0	0	110.4	D241 E295 N296 N297 R299	D241-N293 PolarHBondContact OD2-ND2 2.73Å; N293-E295 VanDerWaalsContact C-N 3.34Å; N293-E295 PolarHBondContact O-N 3.4Å; N293-E295 PolarHBondContact OD1-N 2.76Å; N293-N296 CarbonylContact O-C 3.6Å; N293-N296 PolarHBondContact O-N 3.14Å; N293-N296 PolarHBondContact OD1-N 2.76Å; N293-N297 WeakPolarHBondContact O-CA 3.48Å; N293-N297 PolarHBondContact O-N 2.79Å; N293-N297 PolarHBondContact O-OD1 3.49Å; N293-N297 VanDerWaalsContact O-OD1 3.07Å; N293-R299 HydrophobicContact CB-CB 4.19Å; N293-R299 PolarHBondContact N-O 3.02Å
294	F	91.3	Very high	94	Very high	47 Å²	47	65.8 Å²	65.8	21%	0.206	31%	0.308	C	S	.	.	S	Bend	trans	-61.4	-33.5	-175.5	-177.5	-118.7	0	0	0	115.3	K198 M201 Y205	K198-F294 HydrophobicContact CB-CD2 4.42Å; K198-F294 HydrophobicContact CB-CE2 3.96Å; K198-F294 HydrophobicContact CD-CE2 4.18Å; M201-F294 VanDerWaalsContact CA-CD2 3.48Å; M201-F294 HydrophobicContact CB-CD2 4.06Å; M201-F294 HydrophobicContact CB-CE2 3.99Å; M201-F294 HydrophobicContact CE-CE2 4.22Å; M201-F294 HydrophobicContact CG-CE2 4.16Å; Y205-F294 HydrophobicContact CD2-CE1 4.25Å; Y205-F294 HydrophobicContact CD2-CZ 4.09Å; Y205-F294 AromaticContact CE2-CE1 3.89Å; Y205-F294 HydrophobicContact CE2-CE1 3.89Å; Y205-F294 AromaticContact CE2-CZ 3.65Å; Y205-F294 HydrophobicContact CE2-CZ 3.65Å; Y205-F294 AromaticContact CZ-CZ 3.97Å
295	E	89.8	Confident	94.1	Very high	159 Å²	159	64.1 Å²	64.1	74%	0.743	30%	0.3	S	S	*	.	S	Bend	trans	-83.6	-36.4	-179.4	-65.2	176.7	-170.1	0	0	111.1	N293	N293-E295 VanDerWaalsContact C-N 3.34Å; N293-E295 PolarHBondContact O-N 3.4Å; N293-E295 PolarHBondContact OD1-N 2.76Å
296	N	90.5	Very high	94.1	Very high	63 Å²	63	59.9 Å²	59.9	34%	0.337	28%	0.28	S	S	.	.			trans	-135.8	93.4	179.2	-176.5	1.5	0	0	0	111.2	N293 K298 R299	N293-N296 CarbonylContact O-C 3.6Å; N293-N296 PolarHBondContact O-N 3.14Å; N293-N296 PolarHBondContact OD1-N 2.76Å; N296-K298 PolarHBondContact O-N 3.06Å; N296-K298 WeakPolarHBondContact OD1-CB 3.32Å; N296-K298 PolarHBondContact OD1-N 2.74Å; N296-R299 PolarHBondContact O-N 3.31Å
297	N	88.7	Confident	94.1	Very high	79 Å²	79	56.6 Å²	56.6	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.5	-178.9	-62.6	6.6	0	0	0	114.6	N293 R299	N293-N297 WeakPolarHBondContact O-CA 3.48Å; N293-N297 PolarHBondContact O-N 2.79Å; N293-N297 PolarHBondContact O-OD1 3.49Å; N293-N297 VanDerWaalsContact O-OD1 3.07Å; N297-R299 VanDerWaalsContact C-N 3.3Å
298	K	90.3	Very high	94.1	Very high	193 Å²	193	54.5 Å²	54.5	84%	0.839	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-23.5	173.7	-61.1	-175.7	178.6	-177.2	0	112.5	N296	N296-K298 PolarHBondContact O-N 3.06Å; N296-K298 WeakPolarHBondContact OD1-CB 3.32Å; N296-K298 PolarHBondContact OD1-N 2.74Å
299	R	94.1	Very high	94.1	Very high	177 Å²	177	50.7 Å²	50.7	67%	0.668	23%	0.231	S	C	*	.			trans	-91	135.4	174.9	-65.7	-177.1	178	-178.6	-1.1	108.5	N293 N296 N297	N293-R299 HydrophobicContact CB-CB 4.19Å; N293-R299 PolarHBondContact N-O 3.02Å; N296-R299 PolarHBondContact O-N 3.31Å; N297-R299 VanDerWaalsContact C-N 3.3Å
300	R	94.5	Very high	94	Very high	111 Å²	111	53.5 Å²	53.5	42%	0.419	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-122.7	149	175.5	-65.5	-176	174.4	-169.4	-7	108.8	Y131 N288 M291	Y131-R300 PolarHBondContact OH-NH1 3.35Å; Y131-R300 VanDerWaalsContact OH-NH1 3.14Å; N288-R300 HydrophobicContact CB-CB 4.39Å; N288-R300 WeakPolarHBondContact O-CB 3.4Å; N288-R300 VanDerWaalsContact O-CD 3.23Å; N288-R300 WeakPolarHBondContact O-CD 3.46Å; M291-R300 WeakPolarHBondContact O-CA 3.47Å
301	G	94.4	Very high	93.9	Very high	7 Å²	7	59.7 Å²	59.7	7%	0.072	27%	0.272	C	S	.	.			trans	-72.4	-167.1	169.4	0	0	0	0	0	111.9	D241 D242 N288 E289 G290 M291	D241-G301 WeakPolarHBondContact O-CA 3.5Å; D242-G301 VanDerWaalsContact OD1-CA 3.29Å; D242-G301 WeakPolarHBondContact OD1-CA 3.27Å; N288-G301 CarbonylContact C-O 3.5Å; N288-G301 WeakPolarHBondContact CA-O 3.26Å; N288-G301 PolarHBondContact N-O 2.88Å; N288-G301 VanDerWaalsContact N-O 3.14Å; E289-G301 PolarHBondContact N-O 3.36Å; G290-G301 VanDerWaalsContact CA-C 3.47Å; G290-G301 WeakPolarHBondContact CA-O 3.46Å; G290-G301 PolarHBondContact N-O 3.35Å; M291-G301 PolarHBondContact O-N 2.86Å
302	S	96.1	Very high	93.6	Very high	20 Å²	20	63.3 Å²	63.3	14%	0.14	30%	0.295	C	S	.	.			trans	-109.3	154.5	178	-59.2	0	0	0	0	111.9	D242 L243 H285	D242-S302 CarbonylContact C-O 3.54Å; D242-S302 VanDerWaalsContact CA-O 3.32Å; D242-S302 WeakPolarHBondContact CA-O 3.04Å; D242-S302 WeakPolarHBondContact CB-O 3.36Å; D242-S302 PolarHBondContact OD1-N 3.13Å; L243-S302 PolarHBondContact N-O 3.15Å; H285-S302 VanDerWaalsContact NE2-CB 3.27Å; H285-S302 WeakPolarHBondContact NE2-CB 3.41Å; H285-S302 PolarHBondContact NE2-OG 3.44Å
303	L	96.4	Very high	93.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.8	168	176.9	65.5	0	0	0	109.4	F236 L243 T245 F262 K286 E289 I305	F236-L303 HydrophobicContact CD1-CD1 4.06Å; F236-L303 HydrophobicContact CE1-CD1 3.98Å; L243-L303 HydrophobicContact CB-CD1 3.6Å; L243-L303 CarbonylContact O-C 3.53Å; L243-L303 WeakPolarHBondContact O-CA 3.19Å; T245-L303 HydrophobicContact CG2-CD1 4.07Å; F262-L303 HydrophobicContact CE2-CD2 4.33Å; F262-L303 HydrophobicContact CZ-CD2 4.14Å; K286-L303 HydrophobicContact CB-CB 4.18Å; K286-L303 PolarHBondContact N-O 2.7Å; K286-L303 PolarHBondContact O-N 2.87Å; E289-L303 HydrophobicContact CB-CB 3.69Å; E289-L303 HydrophobicContact CB-CD2 4.27Å; L303-I305 HydrophobicContact CD2-CD1 4.11Å; L303-I305 HydrophobicContact CD2-CG1 4.15Å; L303-I305 HydrophobicContact CG-CD1 4.39Å; L303-I305 HydrophobicContact CG-CG1 3.96Å
304	Y	97.1	Very high	92.8	Very high	64 Å²	64	78 Å²	78	25%	0.251	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.2	173.8	-62	-84.7	0	0	0	109.5	D242 L243 Y244 T245 I283 H285	D242-Y304 HydrophobicContact CB-CD2 4.39Å; D242-Y304 HydrophobicContact CB-CE2 4.07Å; L243-Y304 PolarHBondContact O-N 2.59Å; Y244-Y304 CarbonylContact C-O 3.56Å; Y244-Y304 WeakPolarHBondContact CA-O 3.48Å; Y244-Y304 HydrophobicContact CD1-CD2 4.16Å; Y244-Y304 HydrophobicContact CD1-CG 4.25Å; Y244-Y304 AromaticContact CE1-CD2 3.59Å; Y244-Y304 HydrophobicContact CE1-CD2 3.59Å; Y244-Y304 HydrophobicContact CE1-CE2 4.37Å; Y244-Y304 AromaticContact CE1-CG 3.86Å; Y244-Y304 HydrophobicContact CE1-CG 3.86Å; Y244-Y304 HydrophobicContact CE2-CD2 4.25Å; Y244-Y304 AromaticContact CZ-CD2 3.64Å; T245-Y304 PolarHBondContact N-O 3.43Å; I283-Y304 HydrophobicContact CG2-CD1 4.03Å; H285-Y304 HydrophobicContact CB-CD1 4.48Å; H285-Y304 HydrophobicContact CB-CE1 4.44Å; H285-Y304 AromaticContact CD2-CE1 3.5Å; H285-Y304 VanDerWaalsContact CD2-CE1 3.5Å; H285-Y304 WeakPolarHBondContact CD2-CE1 3.45Å; H285-Y304 AromaticContact CD2-CZ 3.88Å
305	I	95.8	Very high	92.4	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.4	-176.3	-55.7	167.9	0	0	0	107.8	T245 I247 F262 I272 I283 I284 K286 L303 I307	T245-I305 HydrophobicContact CG2-CB 4.26Å; T245-I305 HydrophobicContact CG2-CG1 3.79Å; T245-I305 HydrophobicContact CG2-CG2 4.24Å; T245-I305 CarbonylContact O-C 3.6Å; T245-I305 WeakPolarHBondContact O-CA 3.07Å; I247-I305 HydrophobicContact CB-CG2 4.11Å; I247-I305 HydrophobicContact CD1-CG2 3.52Å; I247-I305 HydrophobicContact CG1-CG2 3.77Å; F262-I305 HydrophobicContact CE1-CD1 4.11Å; F262-I305 HydrophobicContact CZ-CD1 3.79Å; F262-I305 HydrophobicContact CZ-CG1 4.48Å; I272-I305 HydrophobicContact CD1-CG2 4.49Å; I272-I305 HydrophobicContact CG2-CD1 3.66Å; I283-I305 CarbonylContact C-O 3.57Å; I283-I305 WeakPolarHBondContact CA-O 3.47Å; I284-I305 HydrophobicContact CB-CB 4.2Å; I284-I305 PolarHBondContact N-O 3.41Å; I284-I305 PolarHBondContact O-N 3.17Å; K286-I305 HydrophobicContact CG-CD1 4.29Å; L303-I305 HydrophobicContact CD2-CD1 4.11Å; L303-I305 HydrophobicContact CD2-CG1 4.15Å; L303-I305 HydrophobicContact CG-CD1 4.39Å; L303-I305 HydrophobicContact CG-CG1 3.96Å; I305-I307 HydrophobicContact CG2-CD1 4.17Å
306	T	95.4	Very high	92.3	Very high	3 Å²	3	82.2 Å²	82.2	2%	0.018	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.5	173.5	-47.2	0	0	0	0	109.1	T245 N246 I247 P350	T245-T306 PolarHBondContact O-N 3.36Å; N246-T306 CarbonylContact C-O 3.09Å; N246-T306 WeakPolarHBondContact CA-O 3.07Å; N246-T306 WeakPolarHBondContact OD1-CB 3.48Å; N246-T306 PolarHBondContact OD1-OG1 2.93Å; I247-T306 PolarHBondContact N-O 3.42Å; T306-P350 HydrophobicContact CG2-CB 4.01Å
307	I	95.3	Very high	92	Very high	0 Å²	0	82 Å²	82	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.8	176.5	-60.9	-56.7	0	0	0	109.9	I247 L249 I272 T278 G281 T282 I284 I305 V309	I247-I307 HydrophobicContact CB-CD1 4.27Å; L249-I307 HydrophobicContact CB-CG2 4.43Å; L249-I307 HydrophobicContact CD1-CD1 4.22Å; L249-I307 HydrophobicContact CD1-CG2 3.63Å; L249-I307 HydrophobicContact CG-CD1 4.49Å; L249-I307 HydrophobicContact CG-CG2 3.98Å; I272-I307 HydrophobicContact CD1-CD1 4.42Å; T278-I307 HydrophobicContact CG2-CB 4.42Å; T278-I307 HydrophobicContact CG2-CG1 4.35Å; T278-I307 HydrophobicContact CG2-CG2 4.13Å; G281-I307 PolarHBondContact N-O 3.06Å; T282-I307 PolarHBondContact O-N 3.09Å; I284-I307 HydrophobicContact CD1-CD1 3.83Å; I284-I307 HydrophobicContact CD1-CG1 3.97Å; I284-I307 HydrophobicContact CG1-CG1 4.31Å; I305-I307 HydrophobicContact CG2-CD1 4.17Å; I307-V309 HydrophobicContact CG2-CG2 4.33Å
308	D	95.1	Very high	92.1	Very high	32 Å²	32	80.8 Å²	80.8	17%	0.171	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.3	170.6	-72.7	-29.5	0	0	0	108.8	I247 T248 L249 Q352	I247-D308 PolarHBondContact O-N 2.82Å; T248-D308 CarbonylContact C-O 3.59Å; T248-D308 VanDerWaalsContact CA-O 3.27Å; T248-D308 WeakPolarHBondContact CA-O 3.17Å; T248-D308 HydrophobicContact CG2-CB 4.01Å; L249-D308 PolarHBondContact N-O 3.24Å; D308-Q352 PolarHBondContact OD1-NE2 3.23Å
309	V	94.9	Very high	91.9	Very high	23 Å²	23	78.4 Å²	78.4	14%	0.139	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119	179.8	-178.6	0	0	0	0	110.1	L249 L251 P280 I307 F311	L249-V309 CarbonylContact O-C 3.59Å; L249-V309 WeakPolarHBondContact O-CA 3.03Å; L251-V309 HydrophobicContact CB-CG1 4.35Å; L251-V309 HydrophobicContact CD1-CG1 4.22Å; P280-V309 HydrophobicContact CB-CB 4.1Å; P280-V309 HydrophobicContact CB-CG2 3.88Å; I307-V309 HydrophobicContact CG2-CG2 4.33Å; V309-F311 HydrophobicContact CG1-CE2 4.23Å
310	Q	94.2	Very high	91.6	Very high	114 Å²	114	74.8 Å²	74.8	53%	0.533	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.5	174.3	-171.4	176.2	3.6	0	0	110.3	L249 L251	L249-Q310 PolarHBondContact O-N 2.83Å; L251-Q310 PolarHBondContact N-O 2.98Å; L251-Q310 VanDerWaalsContact N-O 3.11Å
311	F	92.7	Very high	91.3	Very high	129 Å²	129	74.9 Å²	74.9	57%	0.566	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-80.1	146.1	172.9	-75	-97.8	0	0	0	110.9	L251 V309	L251-F311 HydrophobicContact CD1-CD1 4.24Å; L251-F311 HydrophobicContact CD1-CE1 3.74Å; L251-F311 HydrophobicContact CD1-CZ 4.11Å; L251-F311 HydrophobicContact CD2-CD1 3.85Å; L251-F311 HydrophobicContact CD2-CE1 4Å; L251-F311 HydrophobicContact CG-CE1 4.44Å; V309-F311 HydrophobicContact CG1-CE2 4.23Å
312	P	89.4	Confident	90.8	Very high	77 Å²	77	80 Å²	80	50%	0.5	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-66	135.1	175.3	27.8	-33.8	0	0	0	111.1	F315	P312-F315 HydrophobicContact CB-CB 4.11Å; P312-F315 HydrophobicContact CG-CB 4.29Å
313	E	88.6	Confident	90.2	Very high	163 Å²	163	85.8 Å²	85.8	76%	0.762	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	133.4	-178.6	-63.5	179.3	-174.3	0	0	111.7	F315	E313-F315 PolarHBondContact O-N 3.06Å
314	N	85.1	Confident	89.8	Confident	176 Å²	176	91.1 Å²	91.1	94%	0.941	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	31.4	171.8	-64.9	-32.9	0	0	0	115.6
315	F	83.2	Confident	89.2	Confident	135 Å²	135	91.3 Å²	91.3	59%	0.592	44%	0.439	S	S	*	.			trans	-92	107.5	-178.3	-176.5	-103.9	0	0	0	111.5	P312 E313 I317	P312-F315 HydrophobicContact CB-CB 4.11Å; P312-F315 HydrophobicContact CG-CB 4.29Å; E313-F315 PolarHBondContact O-N 3.06Å; F315-I317 HydrophobicContact CD1-CG1 3.98Å; F315-I317 HydrophobicContact CE1-CG1 3.82Å; F315-I317 PolarHBondContact O-N 3.49Å
316	K	85.8	Confident	88.7	Confident	160 Å²	160	94.9 Å²	94.9	70%	0.696	46%	0.464	S	S	*	.			trans	-81.8	111.8	171.2	-171.3	179.4	179.9	-176	0	109.6	P318	K316-P318 WeakPolarHBondContact O-CD 3.4Å
317	I	85.4	Confident	88.2	Confident	60 Å²	60	100.9 Å²	100.9	31%	0.308	49%	0.492	S	S	.	.			trans	-63.3	126.4	173.9	-60.5	157.7	0	0	0	109.5	F315 K321 R322 I325	F315-I317 HydrophobicContact CD1-CG1 3.98Å; F315-I317 HydrophobicContact CE1-CG1 3.82Å; F315-I317 PolarHBondContact O-N 3.49Å; I317-K321 HydrophobicContact CG2-CB 3.89Å; I317-R322 HydrophobicContact CB-CG 4.16Å; I317-R322 HydrophobicContact CG2-CG 3.83Å; I317-R322 PolarHBondContact O-NE 2.92Å; I317-I325 HydrophobicContact CD1-CD1 3.7Å; I317-I325 HydrophobicContact CG1-CD1 4.46Å; I317-I325 HydrophobicContact CG2-CD1 4Å
318	P	90.5	Very high	87.6	Confident	53 Å²	53	107.4 Å²	107.4	34%	0.344	53%	0.525	S	S	.	.			trans	-55.2	145.8	172.4	-28.2	37.3	0	0	0	113.3	K316 D320 K321 R322	K316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-D320 VanDerWaalsContact C-N 3.35Å; P318-D320 WeakPolarHBondContact CB-OD1 3.5Å; P318-D320 PolarHBondContact O-N 3.27Å; P318-K321 HydrophobicContact CB-CG 4.48Å; P318-K321 HydrophobicContact CG-CD 4.43Å; P318-K321 PolarHBondContact O-N 2.02Å; P318-K321 VanDerWaalsContact O-N 3.09Å; P318-R322 WeakPolarHBondContact O-CG 3.33Å; P318-R322 PolarHBondContact O-N 2.86Å; P318-R322 VanDerWaalsContact O-N 3.07Å
319	E	86.3	Confident	87	Confident	143 Å²	143	111.3 Å²	111.3	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-63.5	-35.4	-170.7	-66.3	-173.5	171.6	0	0	114.4	K321 R322	E319-K321 VanDerWaalsContact C-N 3.31Å; E319-K321 PolarHBondContact O-N 3.04Å; E319-R322 PolarHBondContact O-N 3.16Å
320	D	87.6	Confident	86.1	Confident	100 Å²	100	118 Å²	118	54%	0.535	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-41.6	173.2	59.7	-49.4	0	0	0	111.7	P318	P318-D320 VanDerWaalsContact C-N 3.35Å; P318-D320 WeakPolarHBondContact CB-OD1 3.5Å; P318-D320 PolarHBondContact O-N 3.27Å
321	K	88	Confident	84.1	Confident	113 Å²	113	116.9 Å²	116.9	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-78.3	-24.1	179.3	-60.8	-173.2	-178.6	-178.2	0	113.3	I317 P318 E319 K323 M324 I325	I317-K321 HydrophobicContact CG2-CB 3.89Å; P318-K321 HydrophobicContact CB-CG 4.48Å; P318-K321 HydrophobicContact CG-CD 4.43Å; P318-K321 PolarHBondContact O-N 2.02Å; P318-K321 VanDerWaalsContact O-N 3.09Å; E319-K321 VanDerWaalsContact C-N 3.31Å; E319-K321 PolarHBondContact O-N 3.04Å; K321-K323 VanDerWaalsContact C-N 3.3Å; K321-K323 PolarHBondContact O-N 3.26Å; K321-M324 PolarHBondContact O-N 2.86Å; K321-I325 PolarHBondContact O-N 3.02Å
322	R	83.3	Confident	82.2	Confident	114 Å²	114	116.2 Å²	116.2	43%	0.43	59%	0.587	S	S	.	*	H	α-helix	trans	-61.5	-39.6	176.8	-71.5	178.3	-175.3	-159.6	-11.5	111.9	I317 P318 E319 M324 I325 S326	I317-R322 HydrophobicContact CB-CG 4.16Å; I317-R322 HydrophobicContact CG2-CG 3.83Å; I317-R322 PolarHBondContact O-NE 2.92Å; P318-R322 WeakPolarHBondContact O-CG 3.33Å; P318-R322 PolarHBondContact O-N 2.86Å; P318-R322 VanDerWaalsContact O-N 3.07Å; E319-R322 PolarHBondContact O-N 3.16Å; R322-M324 VanDerWaalsContact C-N 3.35Å; R322-I325 PolarHBondContact O-N 3.31Å; R322-S326 PolarHBondContact O-N 3.04Å; R322-S326 VanDerWaalsContact O-N 3.1Å; R322-S326 PolarHBondContact O-OG 3.4Å
323	K	84.6	Confident	80.2	Confident	143 Å²	143	117.4 Å²	117.4	62%	0.622	60%	0.597	S	S	*	*	H	α-helix	trans	-61.2	-43.7	177.9	-67.6	-175	-179.9	-178.8	0	111.7	K321 I325 S326 E327	K321-K323 VanDerWaalsContact C-N 3.3Å; K321-K323 PolarHBondContact O-N 3.26Å; K323-I325 VanDerWaalsContact C-N 3.31Å; K323-I325 PolarHBondContact O-N 2.9Å; K323-S326 WeakPolarHBondContact CA-OG 2.81Å; K323-S326 PolarHBondContact O-N 3.19Å; K323-S326 PolarHBondContact O-OG 2.86Å; K323-E327 WeakPolarHBondContact O-CG 3.47Å; K323-E327 PolarHBondContact O-N 2.04Å
324	M	87.2	Confident	78.3	Confident	111 Å²	111	115.1 Å²	115.1	55%	0.547	59%	0.594	S	S	.	*	H	α-helix	trans	-59.3	-40.9	176.4	-62.4	179.2	-179.5	0	0	112.2	K321 R322 E327 L328	K321-M324 PolarHBondContact O-N 2.86Å; R322-M324 VanDerWaalsContact C-N 3.35Å; M324-E327 PolarHBondContact O-N 2.83Å; M324-L328 WeakPolarHBondContact O-CB 3.48Å; M324-L328 VanDerWaalsContact O-CG 3.28Å; M324-L328 WeakPolarHBondContact O-CG 3.37Å; M324-L328 PolarHBondContact O-N 2.7Å
325	I	85.6	Confident	76.3	Confident	69 Å²	69	111 Å²	111	35%	0.354	58%	0.579	S	S	.	*	H	α-helix	trans	-65.6	-43.4	177.8	-64.3	170.9	0	0	0	110.8	I317 K321 R322 K323 E327 L328 F329	I317-I325 HydrophobicContact CD1-CD1 3.7Å; I317-I325 HydrophobicContact CG1-CD1 4.46Å; I317-I325 HydrophobicContact CG2-CD1 4Å; K321-I325 PolarHBondContact O-N 3.02Å; R322-I325 PolarHBondContact O-N 3.31Å; K323-I325 VanDerWaalsContact C-N 3.31Å; K323-I325 PolarHBondContact O-N 2.9Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 2.95Å; I325-L328 PolarHBondContact O-N 2.87Å; I325-F329 HydrophobicContact CG2-CD2 3.85Å; I325-F329 HydrophobicContact CG2-CE2 4.06Å; I325-F329 WeakPolarHBondContact O-CD2 3.47Å; I325-F329 PolarHBondContact O-N 3.18Å
326	S	83.7	Confident	74.3	Confident	74 Å²	74	111.2 Å²	111.2	52%	0.517	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-33.7	177.7	52.4	0	0	0	0	113.4	R322 K323 H330	R322-S326 PolarHBondContact O-N 3.04Å; R322-S326 VanDerWaalsContact O-N 3.1Å; R322-S326 PolarHBondContact O-OG 3.4Å; K323-S326 WeakPolarHBondContact CA-OG 2.81Å; K323-S326 PolarHBondContact O-N 3.19Å; K323-S326 PolarHBondContact O-OG 2.86Å; S326-H330 PolarHBondContact O-N 2.86Å
327	E	86	Confident	72.1	Confident	130 Å²	130	108.7 Å²	108.7	61%	0.607	59%	0.59	S	S	*	*	H	α-helix	trans	-68.1	-46.4	174.7	-72.5	167.7	-169.6	0	0	111	K323 M324 I325 F329 H330	K323-E327 WeakPolarHBondContact O-CG 3.47Å; K323-E327 PolarHBondContact O-N 2.04Å; M324-E327 PolarHBondContact O-N 2.83Å; I325-E327 VanDerWaalsContact C-N 3.3Å; I325-E327 PolarHBondContact O-N 2.95Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 2.83Å; E327-H330 PolarHBondContact O-CD2 3.49Å; E327-H330 PolarHBondContact O-N 2.72Å
328	L	82.6	Confident	70	Confident	136 Å²	136	113.1 Å²	113.1	71%	0.712	61%	0.614	S	S	*	*	H	α-helix	trans	-62.3	-34.8	-178.4	-76.2	168	0	0	0	113.7	M324 I325	M324-L328 WeakPolarHBondContact O-CB 3.48Å; M324-L328 VanDerWaalsContact O-CG 3.28Å; M324-L328 WeakPolarHBondContact O-CG 3.37Å; M324-L328 PolarHBondContact O-N 2.7Å; I325-L328 PolarHBondContact O-N 2.87Å
329	F	81.9	Confident	67.6	Low	115 Å²	115	115.6 Å²	115.6	50%	0.504	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.7	9.3	-176.6	-67.4	-71.6	0	0	0	114.8	L255 I325 E327 S331	L255-F329 HydrophobicContact CD1-CZ 4.1Å; L255-F329 HydrophobicContact CD2-CE1 4.14Å; L255-F329 HydrophobicContact CD2-CZ 3.7Å; I325-F329 HydrophobicContact CG2-CD2 3.85Å; I325-F329 HydrophobicContact CG2-CE2 4.06Å; I325-F329 WeakPolarHBondContact O-CD2 3.47Å; I325-F329 PolarHBondContact O-N 3.18Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 2.83Å; F329-S331 PolarHBondContact O-N 3.41Å
330	H	76.1	Confident	65.6	Low	163 Å²	163	114.9 Å²	114.9	76%	0.755	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	33.3	72	179.2	-63.9	129.7	0	0	0	114.1	S326 E327 S332	S326-H330 PolarHBondContact O-N 2.86Å; E327-H330 PolarHBondContact O-CD2 3.49Å; E327-H330 PolarHBondContact O-N 2.72Å; H330-S332 PolarHBondContact O-N 2.84Å
331	S	52.7	Low	63.4	Low	91 Å²	91	115.1 Å²	115.1	64%	0.636	65%	0.646	S	S	*	*			trans	23.5	88.9	166.5	62.9	0	0	0	0	117.5	F329 S333	F329-S331 PolarHBondContact O-N 3.41Å; S331-S333 PolarHBondContact O-N 2.73Å
332	S	51.6	Low	60.9	Low	115 Å²	115	114.7 Å²	114.7	80%	0.804	66%	0.657	S	S	*	*			trans	-71.7	59.5	145.9	48.5	0	0	0	0	109.9	H330 T334	H330-S332 PolarHBondContact O-N 2.84Å; S332-T334 PolarHBondContact O-N 3.4Å
333	S	48.9	Very low	58.7	Low	102 Å²	102	115.1 Å²	115.1	71%	0.713	68%	0.677	S	S	*	*			trans	-77.9	65.5	155.2	62.2	0	0	0	0	107.6	S331	S331-S333 PolarHBondContact O-N 2.73Å
334	T	47.8	Very low	56.3	Low	115 Å²	115	117 Å²	117	71%	0.706	69%	0.689	S	S	*	*			trans	-114.8	94.9	169.1	-45.7	0	0	0	0	107.1	S332	S332-T334 PolarHBondContact O-N 3.4Å
335	S	44.6	Very low	54.1	Low	89 Å²	89	116.9 Å²	116.9	62%	0.622	70%	0.696	S	S	*	*			trans	27.9	110	137.5	-36.2	0	0	0	0	115.3	T337	S335-T337 PolarHBondContact O-N 2.87Å
336	T	41.1	Very low	51.9	Low	140 Å²	140	121.5 Å²	121.5	86%	0.859	72%	0.721	S	S	*	*			trans	-57	79.8	155.4	7.4	0	0	0	0	109.4
337	T	38.8	Very low	49.5	Very low	107 Å²	107	126.4 Å²	126.4	66%	0.656	74%	0.736	S	S	*	*			trans	-88.5	101.7	159.4	42	0	0	0	0	106.9	S335 T339	S335-T337 PolarHBondContact O-N 2.87Å; T337-T339 PolarHBondContact O-N 2.98Å
338	N	42	Very low	47.2	Very low	152 Å²	152	125.7 Å²	125.7	81%	0.813	74%	0.743	S	S	*	*			trans	-60.5	85.8	162.6	-67.8	-29.9	0	0	0	107.9
339	T	38.2	Very low	45.2	Very low	106 Å²	106	123 Å²	123	65%	0.65	73%	0.732	S	S	*	*			trans	-103.8	107.9	167.8	-52.5	0	0	0	0	107.4	T337 S341	T337-T339 PolarHBondContact O-N 2.98Å; T339-S341 PolarHBondContact O-N 3.29Å
340	P	44.8	Very low	43	Very low	128 Å²	128	120.2 Å²	120.2	83%	0.831	73%	0.726	S	S	*	*			trans	-74.4	95	175.4	29.2	-30.1	0	0	0	108.2	S342	P340-S342 PolarHBondContact O-N 2.9Å
341	S	41.3	Very low	41.5	Very low	105 Å²	105	114.4 Å²	114.4	73%	0.734	71%	0.706	S	S	*	*			trans	-84.3	113	170.9	56.6	0	0	0	0	109.8	T339	T339-S341 PolarHBondContact O-N 3.29Å
342	S	36.5	Very low	40.9	Very low	103 Å²	103	116.6 Å²	116.6	72%	0.72	71%	0.706	S	S	*	*			trans	-17.8	134.1	160.9	55.9	0	0	0	0	116.7	P340 Q344	P340-S342 PolarHBondContact O-N 2.9Å; S342-Q344 PolarHBondContact O-N 2.85Å
343	S	36.2	Very low	40.2	Very low	123 Å²	123	117.2 Å²	117.2	86%	0.86	70%	0.699	S	S	*	*			trans	-50.2	110.2	165.6	54.4	0	0	0	0	112.7
344	Q	35.4	Very low	39.8	Very low	184 Å²	184	118.8 Å²	118.8	86%	0.86	69%	0.69	S	S	*	*			trans	-113.7	155.6	152	-89.7	-158.4	-59.4	0	0	109.1	S342	S342-Q344 PolarHBondContact O-N 2.85Å
345	P	41.1	Very low	39.2	Very low	108 Å²	108	120.5 Å²	120.5	70%	0.701	70%	0.695	S	S	*	*			trans	-87.9	144.4	-141.3	32.8	-34.9	0	0	0	115	Q347	P345-Q347 PolarHBondContact O-N 2.82Å
346	D	38.5	Very low	38.6	Very low	166 Å²	166	119.3 Å²	119.3	89%	0.888	70%	0.697	S	S	*	*			trans	20.3	79.6	157.9	-63.2	-20.1	0	0	0	116.7
347	Q	32.3	Very low	38	Very low	176 Å²	176	120.1 Å²	120.1	82%	0.822	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-76.1	139.2	152	-70.7	-165.1	-56.2	0	0	109.1	P345 T349	P345-Q347 PolarHBondContact O-N 2.82Å; Q347-T349 PolarHBondContact O-N 3.01Å; Q347-T349 VanDerWaalsContact O-N 3.08Å
348	P	37.7	Very low	37.7	Very low	115 Å²	115	122.6 Å²	122.6	75%	0.747	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61	118	-178.9	23.1	-31	0	0	0	109.9
349	T	40.7	Very low	37.1	Very low	81 Å²	81	119.4 Å²	119.4	50%	0.497	71%	0.708	S	S	.	*	P	Polyproline II helix	trans	-61.5	141	177	39	0	0	0	0	110.2	Q347	Q347-T349 PolarHBondContact O-N 3.01Å; Q347-T349 VanDerWaalsContact O-N 3.08Å
350	P	36.5	Very low	36.6	Very low	56 Å²	56	117.7 Å²	117.7	36%	0.364	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-51	152.6	168.5	-23.9	32.9	0	0	0	110.3	T306 Q352	T306-P350 HydrophobicContact CG2-CB 4.01Å; P350-Q352 PolarHBondContact O-N 3.11Å
351	A	44.6	Very low	35.8	Very low	41 Å²	41	117.8 Å²	117.8	34%	0.339	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	15.6	-170.3	0	0	0	0	0	116.6
352	Q	41.2	Very low	35.3	Very low	136 Å²	136	122.6 Å²	122.6	64%	0.636	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	175.1	-68.6	-172.3	-8.6	0	0	114.8	D308 P350	D308-Q352 PolarHBondContact OD1-NE2 3.23Å; P350-Q352 PolarHBondContact O-N 3.11Å
353	I	35.6	Very low	35	Very low	128 Å²	128	126.5 Å²	126.5	66%	0.656	73%	0.726	S	S	*	*	S	Bend	trans	-136	69.3	166.5	-46.9	177.1	0	0	0	110.9
354	Y	40.5	Very low	34.5	Very low	136 Å²	136	127.6 Å²	127.6	53%	0.533	72%	0.721	S	S	.	*			trans	-137	50.2	154.8	-82.3	-76.7	0	0	0	110.5
355	N	35.9	Very low	34.3	Very low	150 Å²	150	128.9 Å²	128.9	80%	0.802	72%	0.719	S	S	*	*	S	Bend	trans	-90.5	94.5	155.4	-77.4	-35.7	0	0	0	107.6
356	G	31.2	Very low	34.1	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	72%	0.723	S	S	*	*			trans	91.3	52.2	155.3	0	0	0	0	0	118.7
357	L	29.4	Very low	33.9	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	72%	0.721	S	S	*	*			trans	-105.4	48.2	153.6	-69	-179.7	0	0	0	111.3
358	D	32.1	Very low	34.5	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	74%	0.742	S	S	*	*	S	Bend	trans	-101.9	106.8	154.4	-70.7	-34.4	0	0	0	107.5
359	G	28.7	Very low	34.3	Very low	85 Å²	85	135.2 Å²	135.2	88%	0.876	74%	0.742	S	S	*	*	S	Bend	trans	69.1	98.3	157.5	0	0	0	0	0	117.7
360	G	27.8	Very low	34	Very low	69 Å²	69	138 Å²	138	71%	0.711	76%	0.755	S	S	*	*			trans	144.3	88.8	154.8	0	0	0	0	0	114	K362	G360-K362 PolarHBondContact O-N 3.11Å
361	S	28.6	Very low	33.8	Very low	130 Å²	130	142.6 Å²	142.6	91%	0.909	78%	0.777	S	S	*	*			trans	-52.2	94.7	164	-32.9	0	0	0	0	110.4
362	K	30.7	Very low	33.2	Very low	207 Å²	207	148.5 Å²	148.5	90%	0.9	80%	0.803	S	S	*	*			trans	-116.9	104.7	162.9	-98.8	-174.5	176.7	179.3	0	109.3	G360	G360-K362 PolarHBondContact O-N 3.11Å
363	K	30.1	Very low	32.7	Very low	185 Å²	185	149.3 Å²	149.3	80%	0.804	81%	0.813	S	S	*	*			trans	-55.3	139	178	-73.2	174.7	173.3	177.5	0	111.7
364	I	26.6	Very low	32.5	Very low	146 Å²	146	150.7 Å²	150.7	75%	0.749	82%	0.824	S	S	*	*			trans	-62	133.5	166	-61.5	163	0	0	0	109.3	V366	I364-V366 HydrophobicContact CG2-CG2 4.14Å
365	Y	29.6	Very low	31.9	Very low	210 Å²	210	151.8 Å²	151.8	82%	0.824	84%	0.844	S	S	*	*			trans	-130.6	110.3	150.1	-79.9	-83.1	0	0	0	107.4
366	V	37.8	Very low	31.6	Very low	129 Å²	129	151.9 Å²	151.9	78%	0.782	85%	0.848	S	S	*	*			trans	-113.1	111.1	160.6	-177.2	0	0	0	0	105.4	I364	I364-V366 HydrophobicContact CG2-CG2 4.14Å
367	K	34.5	Very low	31.7	Very low	195 Å²	195	159.2 Å²	159.2	85%	0.848	86%	0.862	S	S	*	*			trans	-78.6	140.1	167.9	-87.9	-177.9	172.4	-179.5	0	108.1
368	N	43.9	Very low	31.9	Very low	238 Å²	238	159.4 Å²	159.4	100%	1.273	87%	0.866	S	S	*	*			trans	-43.2	0	175.5	-66.2	-14.9	0	0	0	114.3

Retrieved 368 of 368 residues in 651.8 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).