A0A077Z021_TRITR Loading...

Aminomethyltransferase

The glycine cleavage system catalyzes the degradation of glycine.

AlphaFold DB , UniProt , Accession A0A077Z021, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	32.1	Very low	240 Å²	240	147.8 Å²	147.8	100%	1.182	79%	0.785	S	S	*	*				0	120	0	-71	167.5	173.8	0	0	106.5
2	A	33.5	Very low	32.1	Very low	91 Å²	91	155.5 Å²	155.5	75%	0.752	80%	0.795	S	S	*	*				77.3	125.2	61.8	0	0	0	0	0	110.9
3	L	30.6	Very low	32	Very low	139 Å²	139	153.8 Å²	153.8	73%	0.728	80%	0.797	S	S	*	*			cis	-137.7	169.6	-7.4	-97.7	61.2	0	0	0	105.8
4	R	31.9	Very low	31.4	Very low	206 Å²	206	156.2 Å²	156.2	78%	0.777	80%	0.799	S	S	*	*			cis	-155.5	150.8	-14.2	-101	170.5	-177	168.1	1	105.1
5	F	29.9	Very low	31.3	Very low	182 Å²	182	154.7 Å²	154.7	80%	0.798	80%	0.8	S	S	*	*				85.7	143.6	51.3	-104.4	-84.2	0	0	0	116.3
6	F	33.3	Very low	30.9	Very low	178 Å²	178	159.4 Å²	159.4	78%	0.781	80%	0.804	S	S	*	*			trans	75.7	135.6	179.5	-62.6	-91.7	0	0	0	117.4
7	C	30.8	Very low	30.6	Very low	88 Å²	88	155.9 Å²	155.9	60%	0.595	81%	0.805	S	S	*	*			cis	-159.1	143.5	-22	-115.4	0	0	0	0	109
8	L	31.5	Very low	30.2	Very low	141 Å²	141	156.5 Å²	156.5	74%	0.738	81%	0.809	S	S	*	*				48.8	128.6	89.1	-55.5	-174.4	0	0	0	113.9
9	Q	33.2	Very low	29.8	Very low	176 Å²	176	153.8 Å²	153.8	82%	0.822	81%	0.805	S	S	*	*			cis	-150.4	172.5	4.9	-100.6	157.9	26.8	0	0	108.7
10	G	30.4	Very low	29.6	Very low	68 Å²	68	157.9 Å²	157.9	70%	0.701	81%	0.809	S	S	*	*			cis	-159.6	-164.4	16.8	0	0	0	0	0	114.3
11	P	35	Very low	29.3	Very low	117 Å²	117	157.2 Å²	157.2	76%	0.76	81%	0.812	S	S	*	*			trans	-127.9	-173.8	-147.9	42.3	-29	0	0	0	117.3
12	R	32.2	Very low	29	Very low	240 Å²	240	151.8 Å²	151.8	91%	0.906	80%	0.797	S	S	*	*			trans	90.4	139.9	174.3	-53.5	173.5	-177.5	-170.4	0.7	113.9
13	T	31.2	Very low	28.5	Very low	133 Å²	133	151.8 Å²	151.8	82%	0.816	79%	0.79	S	S	*	*			cis	-124.1	165.6	3.3	47.3	0	0	0	0	112.6
14	F	23.6	Very low	28.3	Very low	188 Å²	188	151.4 Å²	151.4	83%	0.825	80%	0.796	S	S	*	*			trans	-128.8	110.7	178.7	-162.7	-78.8	0	0	0	109.2
15	V	30.1	Very low	28.1	Very low	134 Å²	134	149.7 Å²	149.7	81%	0.812	79%	0.794	S	S	*	*			trans	-138.2	125.1	174.6	-179.4	0	0	0	0	109.6
16	R	23.8	Very low	27.9	Very low	229 Å²	229	147.2 Å²	147.2	86%	0.864	78%	0.783	S	S	*	*			trans	-83.7	141.1	170.3	-70.4	170.5	164	174.3	-6.6	110.1
17	A	26.7	Very low	27.5	Very low	100 Å²	100	147.4 Å²	147.4	83%	0.826	78%	0.784	S	S	*	*			trans	-147.4	129.5	153.4	0	0	0	0	0	110.1
18	L	22.3	Very low	27.4	Very low	167 Å²	167	152 Å²	152	87%	0.874	79%	0.794	S	S	*	*			trans	-114.8	152.5	173.4	-96.8	163.9	0	0	0	108.9
19	S	23.1	Very low	27.4	Very low	106 Å²	106	153.2 Å²	153.2	74%	0.741	79%	0.794	S	S	*	*			trans	67	151.9	-179.4	82.5	0	0	0	0	114.1
20	R	26.5	Very low	27.4	Very low	235 Å²	235	149.1 Å²	149.1	89%	0.887	79%	0.785	S	S	*	*			cis	-138.1	161	26.4	-69.2	179.2	166.5	-177.5	-6.9	114.3
21	V	23.9	Very low	27.2	Very low	143 Å²	143	151.2 Å²	151.2	87%	0.867	79%	0.788	S	S	*	*			trans	-59.4	136.1	161.3	174.8	0	0	0	0	110.5
22	C	25.2	Very low	26.9	Very low	127 Å²	127	152.7 Å²	152.7	86%	0.858	79%	0.79	S	S	*	*			trans	-156.3	142.9	146.9	-142.4	0	0	0	0	110.9
23	C	22.5	Very low	26.9	Very low	91 Å²	91	145.7 Å²	145.7	62%	0.615	78%	0.783	S	S	*	*			trans	-101.1	130.9	-171.3	-167.8	0	0	0	0	111.7	F25	C23-F25 VanDerWaalsContact C-N 3.27Å; C23-F25 PolarHBondContact O-N 2.74Å
24	P	28.1	Very low	26.8	Very low	131 Å²	131	144.7 Å²	144.7	85%	0.851	79%	0.789	S	S	*	*			trans	-81.9	66.8	178.2	34.4	-35.7	0	0	0	112.1
25	F	26.1	Very low	27.3	Very low	169 Å²	169	143.3 Å²	143.3	74%	0.741	79%	0.789	S	S	*	*			trans	-84.3	140	168.2	-110.1	-112.8	0	0	0	111	C23	C23-F25 VanDerWaalsContact C-N 3.27Å; C23-F25 PolarHBondContact O-N 2.74Å
26	F	26.9	Very low	27.4	Very low	130 Å²	130	142.1 Å²	142.1	57%	0.57	79%	0.793	S	S	*	*			trans	51.4	91.7	175.7	-82.3	-89.2	0	0	0	117.9	F29	F26-F29 HydrophobicContact CE1-CE2 4.2Å
27	K	25.3	Very low	28.1	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.796	79%	0.791	S	S	*	*			trans	-138.5	169	135	-103.3	170	-174.6	179.2	0	108.6
28	F	27.6	Very low	28.8	Very low	183 Å²	183	144.2 Å²	144.2	80%	0.803	79%	0.793	S	S	*	*			trans	67.7	72.3	-168.9	-58.2	-79.7	0	0	0	115.5
29	F	30.9	Very low	30	Very low	167 Å²	167	141.6 Å²	141.6	73%	0.732	80%	0.795	S	S	*	*				-73.3	145.8	120.7	-82.5	-90.2	0	0	0	107.8	F26 S31	F26-F29 HydrophobicContact CE1-CE2 4.2Å; F29-S31 PolarHBondContact O-N 2.97Å
30	S	33.7	Very low	32	Very low	91 Å²	91	140.8 Å²	140.8	64%	0.636	79%	0.79	S	S	*	*			trans	-78.7	108	-173.2	-164.5	0	0	0	0	111.4	N32	S30-N32 VanDerWaalsContact C-N 3.31Å; S30-N32 PolarHBondContact O-N 3.17Å
31	S	27.6	Very low	34.8	Very low	111 Å²	111	134 Å²	134	78%	0.776	78%	0.784	S	S	*	*			trans	-78	77.6	173.9	57.4	0	0	0	0	110.9	F29	F29-S31 PolarHBondContact O-N 2.97Å
32	N	28.7	Very low	38	Very low	149 Å²	149	129 Å²	129	80%	0.797	75%	0.753	S	S	*	*			trans	-130.4	54.6	173.9	-91.8	-31.8	0	0	0	111.3	S30	S30-N32 VanDerWaalsContact C-N 3.31Å; S30-N32 PolarHBondContact O-N 3.17Å
33	A	32.2	Very low	41.3	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	73%	0.729	S	S	*	*			trans	-135.6	66.7	169.8	0	0	0	0	0	109	L35	A33-L35 PolarHBondContact O-N 2.87Å
34	A	28	Very low	44.9	Very low	113 Å²	113	127.5 Å²	127.5	93%	0.934	72%	0.722	S	S	*	*			trans	-79.4	52.7	-178.3	0	0	0	0	0	112.5
35	L	34.5	Very low	48.2	Very low	158 Å²	158	121.6 Å²	121.6	83%	0.827	68%	0.683	S	S	*	*			trans	-108	118.5	164.6	-96	162.4	0	0	0	107.5	A33 Q37	A33-L35 PolarHBondContact O-N 2.87Å; L35-Q37 PolarHBondContact O-N 2.67Å
36	A	31.5	Very low	51.6	Low	109 Å²	109	116 Å²	116	90%	0.901	66%	0.664	S	S	*	*			trans	-75.3	69.7	-177.5	0	0	0	0	0	111.5
37	Q	38.6	Very low	55	Low	177 Å²	177	109.8 Å²	109.8	83%	0.827	64%	0.637	S	S	*	*			trans	-59.6	139.8	166.1	-100.1	179.6	-0.2	0	0	109.7	L35 A39	L35-Q37 PolarHBondContact O-N 2.67Å; Q37-A39 PolarHBondContact O-N 3.11Å
38	K	41.5	Very low	58.5	Low	197 Å²	197	103.2 Å²	103.2	86%	0.857	61%	0.607	S	S	*	*			trans	-52.5	137.8	165.6	-78	179.6	173.6	177.2	0	108.4	S40	K38-S40 PolarHBondContact O-N 2.87Å
39	A	48.3	Very low	61.9	Low	111 Å²	111	99.6 Å²	99.6	92%	0.917	60%	0.596	S	S	*	*			trans	-65.5	85.1	173.1	0	0	0	0	0	110.3	Q37	Q37-A39 PolarHBondContact O-N 3.11Å
40	S	63.9	Low	65.1	Low	90 Å²	90	92.4 Å²	92.4	63%	0.629	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-67.5	146.3	167.7	46.1	0	0	0	0	109.3	K38 V42	K38-S40 PolarHBondContact O-N 2.87Å; S40-V42 PolarHBondContact O-N 2.96Å
41	A	85.8	Confident	68.2	Low	93 Å²	93	88 Å²	88	77%	0.769	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-63.5	128.2	174.7	0	0	0	0	0	109.7	K43	A41-K43 PolarHBondContact O-N 2.74Å
42	V	91.8	Very high	71.5	Confident	37 Å²	37	86.1 Å²	86.1	22%	0.224	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-58.1	123.2	177.8	-179.7	0	0	0	0	109	S40 D60 W64 Y65	S40-V42 PolarHBondContact O-N 2.96Å; V42-D60 HydrophobicContact CG1-CB 4.36Å; V42-D60 HydrophobicContact CG2-CB 4.43Å; V42-W64 VanDerWaalsContact CG1-C 3.45Å; V42-Y65 HydrophobicContact CB-CD2 3.86Å; V42-Y65 HydrophobicContact CB-CE2 3.61Å; V42-Y65 HydrophobicContact CB-CG 4.45Å; V42-Y65 HydrophobicContact CG1-CD1 4.03Å; V42-Y65 HydrophobicContact CG1-CD2 3.53Å; V42-Y65 HydrophobicContact CG1-CE1 4.23Å; V42-Y65 HydrophobicContact CG1-CE2 3.76Å; V42-Y65 HydrophobicContact CG1-CG 3.67Å
43	K	95.1	Very high	74.8	Confident	81 Å²	81	82.8 Å²	82.8	35%	0.352	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	152.3	-172.6	-61.1	169.9	-178.7	171.6	0	110.6	A41 G63 W64 Y65 E159	A41-K43 PolarHBondContact O-N 2.74Å; K43-G63 WeakPolarHBondContact CB-O 3.3Å; K43-G63 PolarHBondContact N-O 2.73Å; K43-W64 HydrophobicContact CB-CD2 3.59Å; K43-W64 HydrophobicContact CB-CE3 3.41Å; K43-W64 VanDerWaalsContact CB-CE3 3.41Å; K43-W64 HydrophobicContact CB-CG 4.15Å; K43-W64 HydrophobicContact CB-CH2 4.28Å; K43-W64 HydrophobicContact CB-CZ2 4.44Å; K43-W64 HydrophobicContact CB-CZ3 3.78Å; K43-W64 HydrophobicContact CD-CD2 4.11Å; K43-W64 HydrophobicContact CD-CH2 4.2Å; K43-W64 HydrophobicContact CD-CZ2 3.77Å; K43-W64 HydrophobicContact CG-CD2 4.48Å; K43-W64 CarbonylContact O-C 3.55Å; K43-W64 WeakPolarHBondContact O-CA 3.4Å; K43-Y65 PolarHBondContact O-N 3.19Å; K43-E159 IonicContact NZ-OE1 2.83Å; K43-E159 PolarHBondContact NZ-OE1 3.33Å; K43-E159 VanDerWaalsContact NZ-OE1 3.09Å
44	K	96.6	Very high	77.9	Confident	106 Å²	106	82.5 Å²	82.5	46%	0.461	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.5	173.5	-72.2	-171.4	168.7	-161.5	0	110.2	Y48 D49 W64	K44-Y48 HydrophobicContact CB-CD2 4.39Å; K44-Y48 HydrophobicContact CB-CG 4.11Å; K44-Y48 HydrophobicContact CD-CD1 3.55Å; K44-Y48 HydrophobicContact CD-CD2 4.13Å; K44-Y48 HydrophobicContact CD-CE1 4.15Å; K44-Y48 HydrophobicContact CD-CG 3.57Å; K44-Y48 HydrophobicContact CG-CD1 4.12Å; K44-Y48 HydrophobicContact CG-CD2 3.74Å; K44-Y48 HydrophobicContact CG-CE2 4.33Å; K44-Y48 HydrophobicContact CG-CG 3.63Å; K44-D49 IonicContact NZ-OD1 2.73Å; K44-D49 PolarHBondContact NZ-OD1 2.85Å; K44-D49 VanDerWaalsContact NZ-OD1 3.08Å; K44-D49 IonicContact NZ-OD2 2.7Å; K44-D49 PolarHBondContact NZ-OD2 2.89Å; K44-W64 WeakPolarHBondContact O-CZ3 3.44Å
45	T	97.5	Very high	81.2	Confident	6 Å²	6	83.7 Å²	83.7	4%	0.037	48%	0.48	C	S	.	.			trans	-74.9	163.4	162.9	63.6	0	0	0	0	110.3	L47 Y48 W64 M66 D90 H93	T45-L47 PolarHBondContact O-N 2.77Å; T45-Y48 WeakPolarHBondContact O-CB 3.42Å; T45-Y48 PolarHBondContact O-N 3.4Å; T45-W64 HydrophobicContact CG2-CE3 4.04Å; T45-W64 HydrophobicContact CG2-CZ3 4.4Å; T45-M66 HydrophobicContact CG2-CE 4.01Å; T45-M66 HydrophobicContact CG2-SD 3.54Å; T45-M66 VanDerWaalsContact CG2-SD 3.54Å; T45-D90 VanDerWaalsContact CB-OD2 3.24Å; T45-D90 WeakPolarHBondContact CB-OD2 3.47Å; T45-D90 WeakPolarHBondContact CG2-OD2 3.21Å; T45-D90 PolarHBondContact OG1-OD2 2.88Å; T45-H93 HydrophobicContact CG2-CB 4.31Å
46	P	97.9	Very high	84.2	Confident	52 Å²	52	76.7 Å²	76.7	34%	0.338	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.3	174.3	-25.4	37	0	0	0	114.6	A188 S247 A250	P46-A188 HydrophobicContact CG-CB 4.21Å; P46-S247 WeakPolarHBondContact CG-OG 3.41Å; P46-A250 HydrophobicContact CB-CB 3.92Å
47	L	98.5	Very high	87.4	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	5.1	178.2	-72	157.8	0	0	0	113.2	T45 D49 F50 H51 D90 L190 A250 V251 C254	T45-L47 PolarHBondContact O-N 2.77Å; L47-D49 PolarHBondContact O-N 3.28Å; L47-F50 HydrophobicContact CB-CB 4.47Å; L47-F50 HydrophobicContact CD2-CB 4.02Å; L47-F50 HydrophobicContact CD2-CD1 3.98Å; L47-F50 HydrophobicContact CD2-CD2 4.5Å; L47-F50 HydrophobicContact CD2-CG 3.91Å; L47-F50 CarbonylContact O-C 3.57Å; L47-F50 WeakPolarHBondContact O-CA 3.25Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-F50 VanDerWaalsContact O-N 3.12Å; L47-H51 WeakPolarHBondContact CB-NE2 3.38Å; L47-H51 PolarHBondContact O-CD2 3.08Å; L47-H51 PolarHBondContact O-N 2.83Å; L47-D90 HydrophobicContact CD1-CB 4.08Å; L47-L190 HydrophobicContact CD1-CD1 4.48Å; L47-L190 HydrophobicContact CD1-CD2 3.42Å; L47-L190 VanDerWaalsContact CD1-CD2 3.42Å; L47-L190 HydrophobicContact CD1-CG 4.15Å; L47-A250 HydrophobicContact CG-CB 4.36Å; L47-V251 HydrophobicContact CD2-CG2 4.12Å; L47-C254 HydrophobicContact CD2-CB 3.81Å
48	Y	98.4	Very high	90.3	Very high	45 Å²	45	70.9 Å²	70.9	18%	0.176	40%	0.398	C	S	.	.	H	α-helix	trans	-52.7	-50.6	-176.9	171.3	-80.5	0	0	0	112.8	K44 T45 F50 H51 V52 M58 Y65	K44-Y48 HydrophobicContact CB-CD2 4.39Å; K44-Y48 HydrophobicContact CB-CG 4.11Å; K44-Y48 HydrophobicContact CD-CD1 3.55Å; K44-Y48 HydrophobicContact CD-CD2 4.13Å; K44-Y48 HydrophobicContact CD-CE1 4.15Å; K44-Y48 HydrophobicContact CD-CG 3.57Å; K44-Y48 HydrophobicContact CG-CD1 4.12Å; K44-Y48 HydrophobicContact CG-CD2 3.74Å; K44-Y48 HydrophobicContact CG-CE2 4.33Å; K44-Y48 HydrophobicContact CG-CG 3.63Å; T45-Y48 WeakPolarHBondContact O-CB 3.42Å; T45-Y48 PolarHBondContact O-N 3.4Å; Y48-F50 VanDerWaalsContact C-N 3.31Å; Y48-F50 PolarHBondContact O-N 2.8Å; Y48-H51 PolarHBondContact O-N 2.78Å; Y48-V52 HydrophobicContact CD1-CG2 4.36Å; Y48-V52 HydrophobicContact CE1-CG2 3.78Å; Y48-V52 WeakPolarHBondContact O-CG2 3.17Å; Y48-V52 PolarHBondContact O-N 2.75Å; Y48-V52 VanDerWaalsContact O-N 3.09Å; Y48-M58 HydrophobicContact CD2-CE 3.77Å; Y48-M58 HydrophobicContact CE2-CE 4.17Å; Y48-M58 HydrophobicContact CE2-CG 4.44Å; Y48-Y65 HydrophobicContact CD2-CD2 4.39Å; Y48-Y65 HydrophobicContact CD2-CG 4.2Å; Y48-Y65 HydrophobicContact CE2-CD1 4.46Å; Y48-Y65 AromaticContact CE2-CD2 3.89Å; Y48-Y65 HydrophobicContact CE2-CD2 3.89Å; Y48-Y65 AromaticContact CE2-CG 3.74Å; Y48-Y65 HydrophobicContact CE2-CG 3.74Å
49	D	98.4	Very high	92.9	Very high	106 Å²	106	63.7 Å²	63.7	57%	0.567	37%	0.37	S	S	*	.	H	α-helix	trans	-75.2	-25.8	-176.1	-59	-67	0	0	0	111	K44 L47 V52 A53	K44-D49 IonicContact NZ-OD1 2.73Å; K44-D49 PolarHBondContact NZ-OD1 2.85Å; K44-D49 VanDerWaalsContact NZ-OD1 3.08Å; K44-D49 IonicContact NZ-OD2 2.7Å; K44-D49 PolarHBondContact NZ-OD2 2.89Å; L47-D49 PolarHBondContact O-N 3.28Å; D49-V52 PolarHBondContact O-N 3.09Å; D49-A53 WeakPolarHBondContact O-CB 3.41Å; D49-A53 PolarHBondContact O-N 3.21Å
50	F	98.5	Very high	95.2	Very high	16 Å²	16	63 Å²	63	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-44.1	168.1	174.3	-81.6	0	0	0	111.7	L47 Y48 A53 H54 V251 C254 E255 L258 M268	L47-F50 HydrophobicContact CB-CB 4.47Å; L47-F50 HydrophobicContact CD2-CB 4.02Å; L47-F50 HydrophobicContact CD2-CD1 3.98Å; L47-F50 HydrophobicContact CD2-CD2 4.5Å; L47-F50 HydrophobicContact CD2-CG 3.91Å; L47-F50 CarbonylContact O-C 3.57Å; L47-F50 WeakPolarHBondContact O-CA 3.25Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-F50 VanDerWaalsContact O-N 3.12Å; Y48-F50 VanDerWaalsContact C-N 3.31Å; Y48-F50 PolarHBondContact O-N 2.8Å; F50-A53 PolarHBondContact O-N 3.13Å; F50-H54 AromaticContact CD1-ND1 3.82Å; F50-H54 AromaticContact CD2-CE1 3.72Å; F50-H54 AromaticContact CD2-ND1 3.95Å; F50-H54 AromaticContact CE1-CE1 3.8Å; F50-H54 AromaticContact CE1-ND1 3.61Å; F50-H54 AromaticContact CE2-CE1 3.23Å; F50-H54 WeakPolarHBondContact CE2-CE1 3.25Å; F50-H54 AromaticContact CE2-ND1 3.78Å; F50-H54 AromaticContact CG-ND1 3.97Å; F50-H54 AromaticContact CZ-CE1 3.25Å; F50-H54 WeakPolarHBondContact CZ-CE1 3.38Å; F50-H54 AromaticContact CZ-ND1 3.58Å; F50-H54 AromaticContact CZ-NE2 3.77Å; F50-H54 PolarHBondContact O-N 2.71Å; F50-H54 PolarHBondContact O-ND1 2.78Å; F50-V251 HydrophobicContact CD2-CG1 4.1Å; F50-C254 VanDerWaalsContact CE1-SG 3.54Å; F50-C254 HydrophobicContact CE2-CB 4.41Å; F50-C254 HydrophobicContact CZ-CB 4.22Å; F50-C254 VanDerWaalsContact CZ-SG 3.56Å; F50-E255 HydrophobicContact CE2-CG 3.91Å; F50-L258 HydrophobicContact CZ-CD1 3.68Å; F50-M268 HydrophobicContact CE1-CE 4.04Å; F50-M268 HydrophobicContact CE1-CG 4.22Å; F50-M268 HydrophobicContact CE1-SD 3.98Å; F50-M268 HydrophobicContact CZ-SD 4.48Å
51	H	98.5	Very high	96.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.6	-61.3	-36.5	0	0	0	111.2	L47 Y48 H54 E55 A56 M58 Y70 D90	L47-H51 WeakPolarHBondContact CB-NE2 3.38Å; L47-H51 PolarHBondContact O-CD2 3.08Å; L47-H51 PolarHBondContact O-N 2.83Å; Y48-H51 PolarHBondContact O-N 2.78Å; H51-H54 CarbonylContact O-C 3.51Å; H51-H54 PolarHBondContact O-N 2.76Å; H51-E55 PolarHBondContact O-N 3.2Å; H51-A56 HydrophobicContact CB-CB 3.86Å; H51-A56 WeakPolarHBondContact O-CB 3.34Å; H51-A56 PolarHBondContact O-N 3.38Å; H51-M58 HydrophobicContact CB-CE 3.92Å; H51-M58 HydrophobicContact CB-SD 3.62Å; H51-Y70 PolarHBondContact ND1-OH 3.41Å; H51-Y70 VanDerWaalsContact ND1-OH 3.1Å; H51-D90 IonicContact CD2-OD2 3.85Å; H51-D90 IonicContact CE1-OD2 3.49Å; H51-D90 WeakPolarHBondContact NE2-CB 3.46Å; H51-D90 IonicContact NE2-OD2 2.75Å; H51-D90 PolarHBondContact NE2-OD2 2.93Å
52	V	98.2	Very high	96.8	Very high	71 Å²	71	60.5 Å²	60.5	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-41.1	175.6	173.3	0	0	0	0	111.5	Y48 D49 H54 E55 M58	Y48-V52 HydrophobicContact CD1-CG2 4.36Å; Y48-V52 HydrophobicContact CE1-CG2 3.78Å; Y48-V52 WeakPolarHBondContact O-CG2 3.17Å; Y48-V52 PolarHBondContact O-N 2.75Å; Y48-V52 VanDerWaalsContact O-N 3.09Å; D49-V52 PolarHBondContact O-N 3.09Å; V52-H54 VanDerWaalsContact C-N 3.27Å; V52-H54 PolarHBondContact O-N 2.82Å; V52-E55 PolarHBondContact O-N 3.36Å; V52-E55 VanDerWaalsContact O-N 3.11Å; V52-M58 HydrophobicContact CG2-CG 4.09Å
53	A	97.8	Very high	96.8	Very high	79 Å²	79	60 Å²	60	65%	0.653	32%	0.322	S	S	*	.	H	α-helix	trans	-64.9	-28.3	175.6	0	0	0	0	0	113.4	D49 F50 E55	D49-A53 WeakPolarHBondContact O-CB 3.41Å; D49-A53 PolarHBondContact O-N 3.21Å; F50-A53 PolarHBondContact O-N 3.13Å; A53-E55 VanDerWaalsContact C-N 3.26Å; A53-E55 PolarHBondContact O-N 3.11Å
54	H	96.9	Very high	96.9	Very high	85 Å²	85	58.1 Å²	58.1	39%	0.394	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	24.5	173.2	-67.6	77.9	0	0	0	112.9	F50 H51 V52 A56 Y70	F50-H54 AromaticContact CD1-ND1 3.82Å; F50-H54 AromaticContact CD2-CE1 3.72Å; F50-H54 AromaticContact CD2-ND1 3.95Å; F50-H54 AromaticContact CE1-CE1 3.8Å; F50-H54 AromaticContact CE1-ND1 3.61Å; F50-H54 AromaticContact CE2-CE1 3.23Å; F50-H54 WeakPolarHBondContact CE2-CE1 3.25Å; F50-H54 AromaticContact CE2-ND1 3.78Å; F50-H54 AromaticContact CG-ND1 3.97Å; F50-H54 AromaticContact CZ-CE1 3.25Å; F50-H54 WeakPolarHBondContact CZ-CE1 3.38Å; F50-H54 AromaticContact CZ-ND1 3.58Å; F50-H54 AromaticContact CZ-NE2 3.77Å; F50-H54 PolarHBondContact O-N 2.71Å; F50-H54 PolarHBondContact O-ND1 2.78Å; H51-H54 CarbonylContact O-C 3.51Å; H51-H54 PolarHBondContact O-N 2.76Å; V52-H54 VanDerWaalsContact C-N 3.27Å; V52-H54 PolarHBondContact O-N 2.82Å; H54-A56 PolarHBondContact O-N 2.69Å; H54-A56 VanDerWaalsContact O-N 3.12Å; H54-Y70 HydrophobicContact CB-CD1 4.08Å; H54-Y70 HydrophobicContact CB-CE1 4.19Å; H54-Y70 WeakPolarHBondContact O-CD1 3.25Å
55	E	97.7	Very high	96.9	Very high	138 Å²	138	57.4 Å²	57.4	65%	0.645	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	31.8	177.4	-57.2	-168.2	141.2	0	0	114.5	H51 V52 A53 S71	H51-E55 PolarHBondContact O-N 3.2Å; V52-E55 PolarHBondContact O-N 3.36Å; V52-E55 VanDerWaalsContact O-N 3.11Å; A53-E55 VanDerWaalsContact C-N 3.26Å; A53-E55 PolarHBondContact O-N 3.11Å; E55-S71 WeakPolarHBondContact CB-OG 3.37Å; E55-S71 PolarHBondContact O-N 2.85Å; E55-S71 WeakPolarHBondContact OE2-CB 3.4Å; E55-S71 PolarHBondContact OE2-OG 3.38Å
56	A	98.2	Very high	97	Very high	12 Å²	12	57.1 Å²	57.1	10%	0.099	31%	0.306	C	S	.	.			trans	-69.1	135.4	178.5	0	0	0	0	0	112.1	H51 H54 M58 P67 Y70	H51-A56 HydrophobicContact CB-CB 3.86Å; H51-A56 WeakPolarHBondContact O-CB 3.34Å; H51-A56 PolarHBondContact O-N 3.38Å; H54-A56 PolarHBondContact O-N 2.69Å; H54-A56 VanDerWaalsContact O-N 3.12Å; A56-M58 HydrophobicContact CB-SD 3.87Å; A56-M58 PolarHBondContact O-N 3.35Å; A56-P67 HydrophobicContact CB-CB 3.71Å; A56-Y70 HydrophobicContact CB-CD1 3.67Å; A56-Y70 HydrophobicContact CB-CE1 3.57Å; A56-Y70 HydrophobicContact CB-CG 4.34Å
57	K	98.2	Very high	97	Very high	129 Å²	129	54.9 Å²	54.9	56%	0.561	29%	0.291	S	S	*	.			trans	-76	94.9	168.3	-176.1	174.5	-178.9	174.2	0	109.6	V68 V69	K57-V68 HydrophobicContact CB-CG1 4.02Å; K57-V68 HydrophobicContact CD-CG1 4Å; K57-V68 HydrophobicContact CG-CG1 3.96Å; K57-V68 WeakPolarHBondContact O-CG1 3.44Å; K57-V68 PolarHBondContact O-N 2.83Å; K57-V69 HydrophobicContact CB-CG1 4.22Å; K57-V69 PolarHBondContact N-O 2.99Å
58	M	98.1	Very high	97	Very high	35 Å²	35	56 Å²	56	17%	0.172	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.3	176.1	-54.3	-53	-81	0	0	111.6	Y48 H51 V52 A56 Y65 M66 P67	Y48-M58 HydrophobicContact CD2-CE 3.77Å; Y48-M58 HydrophobicContact CE2-CE 4.17Å; Y48-M58 HydrophobicContact CE2-CG 4.44Å; H51-M58 HydrophobicContact CB-CE 3.92Å; H51-M58 HydrophobicContact CB-SD 3.62Å; V52-M58 HydrophobicContact CG2-CG 4.09Å; A56-M58 HydrophobicContact CB-SD 3.87Å; A56-M58 PolarHBondContact O-N 3.35Å; M58-Y65 HydrophobicContact CB-CD1 4.42Å; M58-Y65 VanDerWaalsContact CE-O 3.22Å; M58-Y65 WeakPolarHBondContact CE-O 3.36Å; M58-M66 WeakPolarHBondContact CA-O 3.38Å; M58-P67 HydrophobicContact SD-CB 3.92Å
59	V	97.3	Very high	97	Very high	46 Å²	46	55.2 Å²	55.2	28%	0.279	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.8	174.2	-61.9	0	0	0	0	110	F61 Y65 M66 V68 L271	V59-F61 PolarHBondContact O-N 3.33Å; V59-Y65 WeakPolarHBondContact O-CA 3.2Å; V59-M66 PolarHBondContact N-O 3.12Å; V59-M66 PolarHBondContact O-N 3.44Å; V59-V68 HydrophobicContact CG1-CB 4.12Å; V59-V68 HydrophobicContact CG1-CG1 4.07Å; V59-V68 HydrophobicContact CG2-CB 4.02Å; V59-L271 HydrophobicContact CG2-CD1 4.18Å
60	D	95.9	Very high	97	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.8	163.7	-176.6	-5.6	0	0	0	109.1	V42 G63 W64	V42-D60 HydrophobicContact CG1-CB 4.36Å; V42-D60 HydrophobicContact CG2-CB 4.43Å; D60-G63 VanDerWaalsContact OD1-CA 3.23Å; D60-G63 WeakPolarHBondContact OD1-CA 3.06Å; D60-G63 PolarHBondContact OD1-N 3.18Å; D60-W64 WeakPolarHBondContact CA-O 3.21Å
61	F	93.3	Very high	96.9	Very high	65 Å²	65	53.2 Å²	53.2	29%	0.285	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.8	173.2	-178.3	-103.1	0	0	0	108.4	V59 G63 W64 M66 H93 L271	V59-F61 PolarHBondContact O-N 3.33Å; F61-G63 PolarHBondContact O-N 3.17Å; F61-W64 PolarHBondContact N-O 3.17Å; F61-W64 PolarHBondContact O-N 2.72Å; F61-M66 HydrophobicContact CB-CB 4.13Å; F61-M66 HydrophobicContact CB-CG 4.08Å; F61-M66 HydrophobicContact CD1-CG 4.24Å; F61-H93 AromaticContact CD1-CD2 3.99Å; F61-H93 AromaticContact CD1-NE2 3.79Å; F61-H93 AromaticContact CE1-NE2 3.66Å; F61-L271 HydrophobicContact CB-CD1 3.61Å; F61-L271 HydrophobicContact CD1-CD1 3.96Å; F61-L271 HydrophobicContact CD1-CD2 4.05Å; F61-L271 HydrophobicContact CD2-CD1 3.7Å; F61-L271 HydrophobicContact CE1-CD2 4.02Å; F61-L271 HydrophobicContact CE2-CD1 4.35Å; F61-L271 HydrophobicContact CG-CD1 3.48Å; F61-L271 VanDerWaalsContact CG-CD1 3.48Å; F61-L271 HydrophobicContact CG-CD2 4.37Å; F61-L271 HydrophobicContact CZ-CD2 4.31Å
62	C	89.4	Confident	96.7	Very high	66 Å²	66	57 Å²	57	45%	0.446	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	32.2	-177.1	-60.3	0	0	0	0	114.3	A155 G156	C62-A155 HydrophobicContact CB-CB 4.45Å; C62-G156 VanDerWaalsContact SG-CA 3.59Å
63	G	92.5	Very high	96.6	Very high	27 Å²	27	54.2 Å²	54.2	28%	0.278	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	16.3	-177.7	0	0	0	0	0	114.1	K43 D60 F61	K43-G63 WeakPolarHBondContact CB-O 3.3Å; K43-G63 PolarHBondContact N-O 2.73Å; D60-G63 VanDerWaalsContact OD1-CA 3.23Å; D60-G63 WeakPolarHBondContact OD1-CA 3.06Å; D60-G63 PolarHBondContact OD1-N 3.18Å; F61-G63 PolarHBondContact O-N 3.17Å
64	W	96.3	Very high	96.6	Very high	41 Å²	41	53.3 Å²	53.3	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.2	173.9	-62.7	84.8	0	0	0	111.2	V42 K43 K44 T45 D60 F61 M66 H93 I158	V42-W64 VanDerWaalsContact CG1-C 3.45Å; K43-W64 HydrophobicContact CB-CD2 3.59Å; K43-W64 HydrophobicContact CB-CE3 3.41Å; K43-W64 VanDerWaalsContact CB-CE3 3.41Å; K43-W64 HydrophobicContact CB-CG 4.15Å; K43-W64 HydrophobicContact CB-CH2 4.28Å; K43-W64 HydrophobicContact CB-CZ2 4.44Å; K43-W64 HydrophobicContact CB-CZ3 3.78Å; K43-W64 HydrophobicContact CD-CD2 4.11Å; K43-W64 HydrophobicContact CD-CH2 4.2Å; K43-W64 HydrophobicContact CD-CZ2 3.77Å; K43-W64 HydrophobicContact CG-CD2 4.48Å; K43-W64 CarbonylContact O-C 3.55Å; K43-W64 WeakPolarHBondContact O-CA 3.4Å; K44-W64 WeakPolarHBondContact O-CZ3 3.44Å; T45-W64 HydrophobicContact CG2-CE3 4.04Å; T45-W64 HydrophobicContact CG2-CZ3 4.4Å; D60-W64 WeakPolarHBondContact CA-O 3.21Å; F61-W64 PolarHBondContact N-O 3.17Å; F61-W64 PolarHBondContact O-N 2.72Å; W64-M66 HydrophobicContact CB-CG 4.02Å; W64-M66 HydrophobicContact CB-SD 3.98Å; W64-M66 PolarHBondContact O-N 3.28Å; W64-H93 HydrophobicContact CB-CB 4.21Å; W64-H93 HydrophobicContact CD2-CB 3.69Å; W64-H93 HydrophobicContact CE3-CB 4.24Å; W64-H93 HydrophobicContact CG-CB 3.68Å; W64-I158 HydrophobicContact CZ2-CD1 4.22Å
65	Y	97.9	Very high	96.7	Very high	90 Å²	90	52 Å²	52	35%	0.353	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	105.6	168.9	-82.1	-61.9	0	0	0	110	V42 K43 Y48 M58 V59	V42-Y65 HydrophobicContact CB-CD2 3.86Å; V42-Y65 HydrophobicContact CB-CE2 3.61Å; V42-Y65 HydrophobicContact CB-CG 4.45Å; V42-Y65 HydrophobicContact CG1-CD1 4.03Å; V42-Y65 HydrophobicContact CG1-CD2 3.53Å; V42-Y65 HydrophobicContact CG1-CE1 4.23Å; V42-Y65 HydrophobicContact CG1-CE2 3.76Å; V42-Y65 HydrophobicContact CG1-CG 3.67Å; K43-Y65 PolarHBondContact O-N 3.19Å; Y48-Y65 HydrophobicContact CD2-CD2 4.39Å; Y48-Y65 HydrophobicContact CD2-CG 4.2Å; Y48-Y65 HydrophobicContact CE2-CD1 4.46Å; Y48-Y65 AromaticContact CE2-CD2 3.89Å; Y48-Y65 HydrophobicContact CE2-CD2 3.89Å; Y48-Y65 AromaticContact CE2-CG 3.74Å; Y48-Y65 HydrophobicContact CE2-CG 3.74Å; M58-Y65 HydrophobicContact CB-CD1 4.42Å; M58-Y65 VanDerWaalsContact CE-O 3.22Å; M58-Y65 WeakPolarHBondContact CE-O 3.36Å; V59-Y65 WeakPolarHBondContact O-CA 3.2Å
66	M	98.3	Very high	96.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.4	-178.6	-60.4	-51.4	-51.6	0	0	111.7	T45 M58 V59 F61 W64 V68 D90 H93 L271	T45-M66 HydrophobicContact CG2-CE 4.01Å; T45-M66 HydrophobicContact CG2-SD 3.54Å; T45-M66 VanDerWaalsContact CG2-SD 3.54Å; M58-M66 WeakPolarHBondContact CA-O 3.38Å; V59-M66 PolarHBondContact N-O 3.12Å; V59-M66 PolarHBondContact O-N 3.44Å; F61-M66 HydrophobicContact CB-CB 4.13Å; F61-M66 HydrophobicContact CB-CG 4.08Å; F61-M66 HydrophobicContact CD1-CG 4.24Å; W64-M66 HydrophobicContact CB-CG 4.02Å; W64-M66 HydrophobicContact CB-SD 3.98Å; W64-M66 PolarHBondContact O-N 3.28Å; M66-V68 PolarHBondContact O-N 2.63Å; M66-D90 HydrophobicContact CE-CB 4.15Å; M66-D90 VanDerWaalsContact CE-O 3.29Å; M66-D90 WeakPolarHBondContact CE-O 3.27Å; M66-H93 VanDerWaalsContact CE-ND1 3.26Å; M66-H93 WeakPolarHBondContact CE-ND1 3.41Å; M66-H93 HydrophobicContact SD-CB 3.96Å; M66-H93 PolarHBondContact SD-ND1 2.76Å; M66-L271 HydrophobicContact CB-CD1 3.76Å; M66-L271 HydrophobicContact CB-CG 4.25Å
67	P	98.3	Very high	96.7	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.032	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120	179.8	31.4	-32.9	0	0	0	110.8	A56 M58 Y70 G270 L271	A56-P67 HydrophobicContact CB-CB 3.71Å; M58-P67 HydrophobicContact SD-CB 3.92Å; P67-Y70 HydrophobicContact CB-CE2 3.97Å; P67-Y70 HydrophobicContact CG-CE2 4.22Å; P67-Y70 WeakPolarHBondContact CG-OH 3.48Å; P67-G270 CarbonylContact O-C 3.57Å; P67-G270 WeakPolarHBondContact O-CA 3.35Å; P67-L271 PolarHBondContact O-N 3.39Å
68	V	98.1	Very high	96.7	Very high	22 Å²	22	45.4 Å²	45.4	13%	0.133	26%	0.256	C	S	.	.	S	Bend	trans	-79.6	-34.4	175.6	78.1	0	0	0	0	112.2	K57 V59 M66 G270 L271 G272	K57-V68 HydrophobicContact CB-CG1 4.02Å; K57-V68 HydrophobicContact CD-CG1 4Å; K57-V68 HydrophobicContact CG-CG1 3.96Å; K57-V68 WeakPolarHBondContact O-CG1 3.44Å; K57-V68 PolarHBondContact O-N 2.83Å; V59-V68 HydrophobicContact CG1-CB 4.12Å; V59-V68 HydrophobicContact CG1-CG1 4.07Å; V59-V68 HydrophobicContact CG2-CB 4.02Å; M66-V68 PolarHBondContact O-N 2.63Å; V68-G270 CarbonylContact O-C 3.59Å; V68-L271 HydrophobicContact CG2-CB 4.39Å; V68-L271 PolarHBondContact O-N 3.49Å; V68-G272 PolarHBondContact O-N 2.81Å; V68-G272 VanDerWaalsContact O-N 3.07Å
69	V	98.3	Very high	96.8	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.182	25%	0.248	C	C	.	.			trans	-163.4	158.1	177.5	73.9	0	0	0	0	109.2	K57 Q73 I75	K57-V69 HydrophobicContact CB-CG1 4.22Å; K57-V69 PolarHBondContact N-O 2.99Å; V69-Q73 WeakPolarHBondContact CG2-O 3.25Å; V69-I75 HydrophobicContact CB-CG1 4.1Å; V69-I75 HydrophobicContact CG2-CG1 3.86Å
70	Y	98.4	Very high	96.8	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.027	25%	0.247	C	C	.	.			trans	-102.4	159.1	173.9	-63.8	-99.8	0	0	0	110.1	H51 H54 A56 P67 D72 Q73 M268	H51-Y70 PolarHBondContact ND1-OH 3.41Å; H51-Y70 VanDerWaalsContact ND1-OH 3.1Å; H54-Y70 HydrophobicContact CB-CD1 4.08Å; H54-Y70 HydrophobicContact CB-CE1 4.19Å; H54-Y70 WeakPolarHBondContact O-CD1 3.25Å; A56-Y70 HydrophobicContact CB-CD1 3.67Å; A56-Y70 HydrophobicContact CB-CE1 3.57Å; A56-Y70 HydrophobicContact CB-CG 4.34Å; P67-Y70 HydrophobicContact CB-CE2 3.97Å; P67-Y70 HydrophobicContact CG-CE2 4.22Å; P67-Y70 WeakPolarHBondContact CG-OH 3.48Å; Y70-D72 VanDerWaalsContact C-N 3.3Å; Y70-D72 WeakPolarHBondContact CB-OD1 3.26Å; Y70-D72 PolarHBondContact O-N 3.09Å; Y70-Q73 VanDerWaalsContact O-O 3.08Å; Y70-M268 HydrophobicContact CD1-CB 3.97Å; Y70-M268 HydrophobicContact CD2-CB 3.89Å; Y70-M268 HydrophobicContact CE1-CB 3.59Å; Y70-M268 HydrophobicContact CE1-CG 4.05Å; Y70-M268 HydrophobicContact CE2-CB 3.53Å; Y70-M268 HydrophobicContact CG-CB 4.12Å; Y70-M268 WeakPolarHBondContact OH-CE 3.24Å
71	S	96.5	Very high	96.9	Very high	72 Å²	72	40.4 Å²	40.4	50%	0.503	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.8	-173.9	66.9	0	0	0	0	113.9	E55 Q73	E55-S71 WeakPolarHBondContact CB-OG 3.37Å; E55-S71 PolarHBondContact O-N 2.85Å; E55-S71 WeakPolarHBondContact OE2-CB 3.4Å; E55-S71 PolarHBondContact OE2-OG 3.38Å; S71-Q73 PolarHBondContact O-N 2.93Å
72	D	94.8	Very high	97.2	Very high	81 Å²	81	37.3 Å²	37.3	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.2	-171.2	78.6	-58.9	0	0	0	114.6	Y70 K267	Y70-D72 VanDerWaalsContact C-N 3.3Å; Y70-D72 WeakPolarHBondContact CB-OD1 3.26Å; Y70-D72 PolarHBondContact O-N 3.09Å; D72-K267 IonicContact OD2-NZ 3.58Å; D72-K267 PolarHBondContact OD2-NZ 3.35Å
73	Q	95.9	Very high	97.6	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.056	20%	0.197	C	C	.	.	S	Bend	trans	-157.7	138	-170.3	61.8	-164.2	-65.4	0	0	112.3	V69 Y70 S71 Q77 S78 M268	V69-Q73 WeakPolarHBondContact CG2-O 3.25Å; Y70-Q73 VanDerWaalsContact O-O 3.08Å; S71-Q73 PolarHBondContact O-N 2.93Å; Q73-Q77 HydrophobicContact CB-CB 4.18Å; Q73-S78 PolarHBondContact OE1-OG 2.76Å; Q73-M268 PolarHBondContact NE2-O 3.11Å
74	S	98	Very high	97.8	Very high	60 Å²	60	40.1 Å²	40.1	42%	0.42	21%	0.211	S	C	.	.			trans	-69.4	160.3	164.5	68.5	0	0	0	0	111.4	G76 Q77 S78	S74-G76 PolarHBondContact O-N 2.89Å; S74-G76 VanDerWaalsContact O-N 3.16Å; S74-Q77 VanDerWaalsContact CB-OE1 3.26Å; S74-Q77 PolarHBondContact O-N 2.92Å; S74-Q77 PolarHBondContact OG-N 2.87Å; S74-Q77 PolarHBondContact OG-OE1 2.87Å; S74-S78 PolarHBondContact O-N 3.1Å
75	I	98.2	Very high	97.8	Very high	57 Å²	57	41.1 Å²	41.1	29%	0.292	22%	0.218	S	C	.	.	H	α-helix	trans	-50.4	-40.8	173.8	-70.1	166.9	0	0	0	111.8	V69 S78 H79 G272	V69-I75 HydrophobicContact CB-CG1 4.1Å; V69-I75 HydrophobicContact CG2-CG1 3.86Å; I75-S78 PolarHBondContact O-N 3.19Å; I75-H79 VanDerWaalsContact O-CB 3.29Å; I75-H79 WeakPolarHBondContact O-CB 3.5Å; I75-H79 PolarHBondContact O-N 3.47Å; I75-G272 VanDerWaalsContact CG2-C 3.43Å; I75-G272 VanDerWaalsContact CG2-O 3.28Å; I75-G272 WeakPolarHBondContact CG2-O 3.36Å
76	G	98.5	Very high	97.8	Very high	25 Å²	25	36.8 Å²	36.8	26%	0.258	20%	0.201	S	C	.	.	H	α-helix	trans	-69.2	-34.6	178.9	0	0	0	0	0	113.8	S74 L80	S74-G76 PolarHBondContact O-N 2.89Å; S74-G76 VanDerWaalsContact O-N 3.16Å; G76-L80 VanDerWaalsContact O-CG 3.29Å; G76-L80 WeakPolarHBondContact O-CG 3.35Å; G76-L80 PolarHBondContact O-N 2.72Å; G76-L80 VanDerWaalsContact O-N 3.15Å
77	Q	98.4	Very high	97.8	Very high	114 Å²	114	36.8 Å²	36.8	53%	0.533	20%	0.201	S	C	.	.	H	α-helix	trans	-70.6	-44.4	173.2	-73.4	159.3	-70.4	0	0	111	Q73 S74 H79 L80 H81	Q73-Q77 HydrophobicContact CB-CB 4.18Å; S74-Q77 VanDerWaalsContact CB-OE1 3.26Å; S74-Q77 PolarHBondContact O-N 2.92Å; S74-Q77 PolarHBondContact OG-N 2.87Å; S74-Q77 PolarHBondContact OG-OE1 2.87Å; Q77-H79 VanDerWaalsContact C-N 3.34Å; Q77-H79 PolarHBondContact O-N 2.86Å; Q77-L80 PolarHBondContact O-N 3.04Å; Q77-H81 VanDerWaalsContact O-CB 3.25Å; Q77-H81 WeakPolarHBondContact O-CB 3.3Å; Q77-H81 PolarHBondContact O-N 3.43Å
78	S	98.6	Very high	97.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-42.7	177.7	-165.8	0	0	0	0	112.4	Q73 S74 I75 T82 A269	Q73-S78 PolarHBondContact OE1-OG 2.76Å; S74-S78 PolarHBondContact O-N 3.1Å; I75-S78 PolarHBondContact O-N 3.19Å; S78-T82 PolarHBondContact O-N 2.79Å; S78-T82 PolarHBondContact O-OG1 3.49Å; S78-A269 WeakPolarHBondContact OG-CB 3.37Å
79	H	98.8	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58	-54.6	171.6	-179.2	119.8	0	0	0	111.8	I75 Q77 H81 T82 R83 S276 L277 E280 P368	I75-H79 VanDerWaalsContact O-CB 3.29Å; I75-H79 WeakPolarHBondContact O-CB 3.5Å; I75-H79 PolarHBondContact O-N 3.47Å; Q77-H79 VanDerWaalsContact C-N 3.34Å; Q77-H79 PolarHBondContact O-N 2.86Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.19Å; H79-T82 WeakPolarHBondContact O-CB 3.34Å; H79-T82 PolarHBondContact O-N 3.39Å; H79-T82 VanDerWaalsContact O-N 3.14Å; H79-R83 PolarHBondContact NE2-NE 3.08Å; H79-R83 PolarHBondContact O-N 3.09Å; H79-S276 VanDerWaalsContact CE1-C 3.5Å; H79-S276 PolarHBondContact CE1-O 2.96Å; H79-S276 WeakPolarHBondContact ND1-CB 3.25Å; H79-S276 PolarHBondContact ND1-OG 3.19Å; H79-L277 PolarHBondContact ND1-N 2.95Å; H79-E280 IonicContact CE1-OE1 3.93Å; H79-E280 PolarHBondContact CE1-OE1 3.01Å; H79-E280 IonicContact CE1-OE2 3.67Å; H79-E280 PolarHBondContact CE1-OE2 3.48Å; H79-E280 VanDerWaalsContact CE1-OE2 3.23Å; H79-E280 VanDerWaalsContact NE2-CD 3.3Å; H79-E280 IonicContact NE2-OE1 3.08Å; H79-E280 PolarHBondContact NE2-OE1 3.31Å; H79-E280 IonicContact NE2-OE2 3.22Å; H79-E280 PolarHBondContact NE2-OE2 2.94Å; H79-P368 HydrophobicContact CB-CB 4.14Å; H79-P368 HydrophobicContact CB-CG 3.84Å
80	L	98.5	Very high	97.9	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-41.7	-177.4	-73.9	169.2	0	0	0	111.7	G76 Q77 T82 R83 Q84 P368 V369	G76-L80 VanDerWaalsContact O-CG 3.29Å; G76-L80 WeakPolarHBondContact O-CG 3.35Å; G76-L80 PolarHBondContact O-N 2.72Å; G76-L80 VanDerWaalsContact O-N 3.15Å; Q77-L80 PolarHBondContact O-N 3.04Å; L80-T82 VanDerWaalsContact C-N 3.31Å; L80-T82 PolarHBondContact O-N 3.17Å; L80-R83 PolarHBondContact O-N 3.36Å; L80-R83 VanDerWaalsContact O-N 3.14Å; L80-Q84 WeakPolarHBondContact O-CB 3.45Å; L80-Q84 VanDerWaalsContact O-CG 3.28Å; L80-Q84 WeakPolarHBondContact O-CG 3.26Å; L80-Q84 PolarHBondContact O-N 2.97Å; L80-Q84 VanDerWaalsContact O-N 3.14Å; L80-Q84 PolarHBondContact O-OE1 2.7Å; L80-P368 HydrophobicContact CD2-CB 4.42Å; L80-P368 HydrophobicContact CG-CB 4.09Å; L80-V369 HydrophobicContact CD2-CG2 4.29Å
81	H	98.3	Very high	97.9	Very high	22 Å²	22	34.3 Å²	34.3	10%	0.102	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-42.3	173.9	-179.1	80.7	0	0	0	112	Q77 H79 R83 Q84 H85 A86 S265 K267	Q77-H81 VanDerWaalsContact O-CB 3.25Å; Q77-H81 WeakPolarHBondContact O-CB 3.3Å; Q77-H81 PolarHBondContact O-N 3.43Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.19Å; H81-R83 VanDerWaalsContact C-N 3.3Å; H81-R83 PolarHBondContact O-N 3.25Å; H81-Q84 PolarHBondContact O-N 3.09Å; H81-H85 AromaticContact CE1-CD2 3.88Å; H81-H85 AromaticContact ND1-CD2 3.65Å; H81-H85 PolarHBondContact O-N 2.66Å; H81-A86 PolarHBondContact NE2-O 2.84Å; H81-S265 PolarHBondContact CE1-O 3.42Å; H81-S265 PolarHBondContact NE2-O 3.2Å; H81-S265 VanDerWaalsContact NE2-O 3.13Å; H81-K267 WeakPolarHBondContact NE2-CB 3.28Å; H81-K267 WeakPolarHBondContact NE2-CG 3.09Å
82	T	98.5	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-37.6	176.3	-48.4	0	0	0	0	112.4	S78 H79 L80 Q84 S87 F89 Q193 G194 L277	S78-T82 PolarHBondContact O-N 2.79Å; S78-T82 PolarHBondContact O-OG1 3.49Å; H79-T82 WeakPolarHBondContact O-CB 3.34Å; H79-T82 PolarHBondContact O-N 3.39Å; H79-T82 VanDerWaalsContact O-N 3.14Å; L80-T82 VanDerWaalsContact C-N 3.31Å; L80-T82 PolarHBondContact O-N 3.17Å; T82-Q84 VanDerWaalsContact C-N 3.31Å; T82-S87 WeakPolarHBondContact CA-OG 3.46Å; T82-S87 WeakPolarHBondContact CB-OG 3.48Å; T82-S87 VanDerWaalsContact OG1-CB 3.3Å; T82-S87 WeakPolarHBondContact OG1-CB 3.4Å; T82-S87 PolarHBondContact OG1-OG 3.21Å; T82-F89 HydrophobicContact CG2-CE2 4.08Å; T82-F89 HydrophobicContact CG2-CZ 4.26Å; T82-Q193 HydrophobicContact CG2-CB 4.2Å; T82-G194 WeakPolarHBondContact O-CA 3.41Å; T82-L277 HydrophobicContact CG2-CD1 3.62Å; T82-L277 HydrophobicContact CG2-CD2 4.33Å
83	R	98.3	Very high	98	Very high	29 Å²	29	27.6 Å²	27.6	11%	0.109	15%	0.145	C	C	.	.	H	α-helix	trans	-80.2	-8.5	176.6	-60.7	-150	-173.9	-71.8	-2.9	114.4	H79 L80 H81 T236 E238 L277 E280	H79-R83 PolarHBondContact NE2-NE 3.08Å; H79-R83 PolarHBondContact O-N 3.09Å; L80-R83 PolarHBondContact O-N 3.36Å; L80-R83 VanDerWaalsContact O-N 3.14Å; H81-R83 VanDerWaalsContact C-N 3.3Å; H81-R83 PolarHBondContact O-N 3.25Å; R83-T236 PolarHBondContact NH1-O 3.35Å; R83-E238 VanDerWaalsContact CD-OE1 3.22Å; R83-E238 WeakPolarHBondContact CD-OE1 3.19Å; R83-E238 HydrophobicContact CG-CG 4.36Å; R83-E238 VanDerWaalsContact CG-OE1 3.24Å; R83-E238 WeakPolarHBondContact CG-OE1 3.41Å; R83-E238 IonicContact CZ-OE1 3.82Å; R83-E238 IonicContact NE-OE1 2.72Å; R83-E238 IonicContact NH1-OE1 3.35Å; R83-E238 PolarHBondContact NH1-OE1 2.81Å; R83-L277 HydrophobicContact CG-CD2 3.78Å; R83-L277 PolarHBondContact NH2-O 3.32Å; R83-E280 IonicContact CZ-OE2 3.09Å; R83-E280 VanDerWaalsContact CZ-OE2 3.26Å; R83-E280 IonicContact NE-OE2 3.47Å; R83-E280 PolarHBondContact NE-OE2 2.98Å; R83-E280 IonicContact NH2-OE2 3.35Å; R83-E280 PolarHBondContact NH2-OE2 3.05Å
84	Q	96.9	Very high	98	Very high	123 Å²	123	28.5 Å²	28.5	58%	0.575	15%	0.15	S	C	*	.	H	α-helix	trans	-110.1	-30.3	-176.4	-71.3	175.8	-41.4	0	0	113	L80 H81 T82	L80-Q84 WeakPolarHBondContact O-CB 3.45Å; L80-Q84 VanDerWaalsContact O-CG 3.28Å; L80-Q84 WeakPolarHBondContact O-CG 3.26Å; L80-Q84 PolarHBondContact O-N 2.97Å; L80-Q84 VanDerWaalsContact O-N 3.14Å; L80-Q84 PolarHBondContact O-OE1 2.7Å; H81-Q84 PolarHBondContact O-N 3.09Å; T82-Q84 VanDerWaalsContact C-N 3.31Å
85	H	96.8	Very high	98	Very high	62 Å²	62	26.2 Å²	26.2	29%	0.287	13%	0.133	S	C	.	.	S	Bend	trans	-135.3	-114.1	-171.9	-63.4	-62.9	0	0	0	111.6	H81 G194 P195 E196 T264 S265	H81-H85 AromaticContact CE1-CD2 3.88Å; H81-H85 AromaticContact ND1-CD2 3.65Å; H81-H85 PolarHBondContact O-N 2.66Å; H85-G194 CarbonylContact O-C 3.58Å; H85-G194 VanDerWaalsContact O-C 3.27Å; H85-G194 WeakPolarHBondContact O-CA 3.49Å; H85-P195 VanDerWaalsContact O-CD 3.3Å; H85-P195 WeakPolarHBondContact O-CD 3.25Å; H85-E196 IonicContact CE1-OE2 2.77Å; H85-E196 IonicContact CG-OE2 2.9Å; H85-E196 IonicContact ND1-OE2 2.89Å; H85-E196 PolarHBondContact ND1-OE2 3.05Å; H85-E196 PolarHBondContact O-N 3.26Å; H85-T264 HydrophobicContact CB-CG2 3.98Å; H85-S265 WeakPolarHBondContact CB-O 3.24Å
86	A	97.6	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	130.6	175	0	0	0	0	0	110.8	H81 I192 Q193 A197 T264 V266 K267	H81-A86 PolarHBondContact NE2-O 2.84Å; A86-I192 HydrophobicContact CB-CD1 4.31Å; A86-I192 HydrophobicContact CB-CG1 4.26Å; A86-Q193 CarbonylContact C-O 3.59Å; A86-Q193 WeakPolarHBondContact CA-O 3.43Å; A86-A197 HydrophobicContact CB-CB 4.05Å; A86-T264 HydrophobicContact CB-CG2 4.04Å; A86-V266 HydrophobicContact CB-CG1 4.42Å; A86-V266 HydrophobicContact CB-CG2 4.38Å; A86-V266 WeakPolarHBondContact O-CA 3.29Å; A86-K267 PolarHBondContact O-N 2.8Å
87	S	98.5	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140	173.6	-61.9	0	0	0	0	111.9	T82 I192 Q193 K267	T82-S87 WeakPolarHBondContact CA-OG 3.46Å; T82-S87 WeakPolarHBondContact CB-OG 3.48Å; T82-S87 VanDerWaalsContact OG1-CB 3.3Å; T82-S87 WeakPolarHBondContact OG1-CB 3.4Å; T82-S87 PolarHBondContact OG1-OG 3.21Å; S87-I192 WeakPolarHBondContact O-CA 3.39Å; S87-Q193 PolarHBondContact N-O 2.86Å; S87-Q193 PolarHBondContact O-N 3.17Å; S87-K267 CarbonylContact C-O 3.56Å; S87-K267 VanDerWaalsContact CA-O 3.25Å; S87-K267 WeakPolarHBondContact CA-O 3.46Å
88	I	98.7	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.8	173.5	-56.4	170.7	0	0	0	109.6	L190 A191 I192 L257 L258 V266 K267 M268 A269	I88-L190 HydrophobicContact CG2-CB 4.44Å; I88-L190 HydrophobicContact CG2-CD1 4.47Å; I88-L190 HydrophobicContact CG2-CD2 3.75Å; I88-L190 HydrophobicContact CG2-CG 4.45Å; I88-A191 CarbonylContact C-O 3Å; I88-A191 WeakPolarHBondContact CA-O 3.31Å; I88-I192 HydrophobicContact CG1-CB 4.25Å; I88-I192 HydrophobicContact CG1-CD1 4.05Å; I88-I192 HydrophobicContact CG1-CG1 3.96Å; I88-L257 HydrophobicContact CD1-CB 3.53Å; I88-L257 HydrophobicContact CD1-CD1 4.35Å; I88-L257 HydrophobicContact CG1-CB 4.46Å; I88-L258 HydrophobicContact CD1-CD2 3.8Å; I88-L258 HydrophobicContact CD1-CG 3.74Å; I88-V266 HydrophobicContact CD1-CG1 3.85Å; I88-V266 HydrophobicContact CG1-CG1 3.84Å; I88-K267 PolarHBondContact N-O 2.82Å; I88-M268 HydrophobicContact CB-CE 4.37Å; I88-M268 HydrophobicContact CB-SD 3.8Å; I88-M268 HydrophobicContact CD1-SD 4.28Å; I88-M268 HydrophobicContact CG2-CE 4.07Å; I88-M268 HydrophobicContact CG2-SD 3.96Å; I88-A269 PolarHBondContact O-N 2.98Å
89	F	98.8	Very high	98	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.2	171.4	-58.2	-97.6	0	0	0	109.5	T82 V91 A191 Q193 T236 A269 A273 R274 L277	T82-F89 HydrophobicContact CG2-CE2 4.08Å; T82-F89 HydrophobicContact CG2-CZ 4.26Å; F89-V91 HydrophobicContact CB-CG1 4.41Å; F89-V91 PolarHBondContact O-N 3.39Å; F89-A191 HydrophobicContact CB-CB 4.35Å; F89-A191 PolarHBondContact N-O 2.89Å; F89-A191 PolarHBondContact O-N 3.25Å; F89-Q193 HydrophobicContact CD2-CB 4.47Å; F89-Q193 HydrophobicContact CD2-CG 4.11Å; F89-Q193 HydrophobicContact CE2-CB 4.13Å; F89-Q193 HydrophobicContact CE2-CG 4.2Å; F89-T236 HydrophobicContact CE2-CG2 4.16Å; F89-T236 HydrophobicContact CZ-CG2 4.47Å; F89-A269 HydrophobicContact CD1-CB 3.85Å; F89-A269 WeakPolarHBondContact CD1-O 3.41Å; F89-A269 HydrophobicContact CD2-CB 4.47Å; F89-A269 HydrophobicContact CE1-CB 3.33Å; F89-A269 HydrophobicContact CE2-CB 4.02Å; F89-A269 HydrophobicContact CG-CB 4.39Å; F89-A269 HydrophobicContact CZ-CB 3.42Å; F89-A269 VanDerWaalsContact CZ-CB 3.42Å; F89-A273 HydrophobicContact CE1-CB 4.14Å; F89-A273 HydrophobicContact CZ-CB 4.47Å; F89-R274 HydrophobicContact CD1-CB 4.01Å; F89-R274 HydrophobicContact CE1-CB 3.85Å; F89-L277 HydrophobicContact CE1-CD1 4.45Å; F89-L277 HydrophobicContact CE2-CD1 4.44Å; F89-L277 HydrophobicContact CZ-CD1 3.64Å
90	D	98.7	Very high	98	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.037	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.1	166.4	176.6	15.9	0	0	0	110	T45 L47 H51 M66 S92 H93 L190	T45-D90 VanDerWaalsContact CB-OD2 3.24Å; T45-D90 WeakPolarHBondContact CB-OD2 3.47Å; T45-D90 WeakPolarHBondContact CG2-OD2 3.21Å; T45-D90 PolarHBondContact OG1-OD2 2.88Å; L47-D90 HydrophobicContact CD1-CB 4.08Å; H51-D90 IonicContact CD2-OD2 3.85Å; H51-D90 IonicContact CE1-OD2 3.49Å; H51-D90 WeakPolarHBondContact NE2-CB 3.46Å; H51-D90 IonicContact NE2-OD2 2.75Å; H51-D90 PolarHBondContact NE2-OD2 2.93Å; M66-D90 HydrophobicContact CE-CB 4.15Å; M66-D90 VanDerWaalsContact CE-O 3.29Å; M66-D90 WeakPolarHBondContact CE-O 3.27Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 3.43Å; D90-S92 PolarHBondContact OD1-OG 3.05Å; D90-H93 PolarHBondContact O-CE1 2.84Å; D90-L190 HydrophobicContact CB-CD2 4.39Å
91	V	98.2	Very high	98	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.097	C	C	.	.			trans	-120.1	20.7	176.7	-66.9	0	0	0	0	112	F89 H93 M94 V189 A191	F89-V91 HydrophobicContact CB-CG1 4.41Å; F89-V91 PolarHBondContact O-N 3.39Å; V91-H93 PolarHBondContact O-N 3.26Å; V91-M94 HydrophobicContact CB-CG 4.16Å; V91-M94 WeakPolarHBondContact O-CB 3.42Å; V91-M94 VanDerWaalsContact O-CG 3.29Å; V91-M94 WeakPolarHBondContact O-CG 3.34Å; V91-M94 PolarHBondContact O-N 3Å; V91-V189 CarbonylContact C-O 3.59Å; V91-V189 HydrophobicContact CG2-CB 3.86Å; V91-V189 HydrophobicContact CG2-CG1 3.65Å; V91-V189 WeakPolarHBondContact CG2-O 3.24Å; V91-V189 PolarHBondContact N-O 3.38Å; V91-A191 HydrophobicContact CG2-CB 3.9Å
92	S	98	Very high	98	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.063	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-3.8	177.3	-48.3	0	0	0	0	115	D90 A188 V189	D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 3.43Å; D90-S92 PolarHBondContact OD1-OG 3.05Å; S92-A188 WeakPolarHBondContact OG-CA 3.46Å; S92-A188 WeakPolarHBondContact OG-CB 3.38Å; S92-V189 PolarHBondContact N-O 3.37Å; S92-V189 PolarHBondContact OG-N 3.23Å; S92-V189 PolarHBondContact OG-O 3.14Å
93	H	95.7	Very high	98	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.6	175.3	57.1	-69.4	0	0	0	112.9	T45 F61 W64 M66 D90 V91 A155	T45-H93 HydrophobicContact CG2-CB 4.31Å; F61-H93 AromaticContact CD1-CD2 3.99Å; F61-H93 AromaticContact CD1-NE2 3.79Å; F61-H93 AromaticContact CE1-NE2 3.66Å; W64-H93 HydrophobicContact CB-CB 4.21Å; W64-H93 HydrophobicContact CD2-CB 3.69Å; W64-H93 HydrophobicContact CE3-CB 4.24Å; W64-H93 HydrophobicContact CG-CB 3.68Å; M66-H93 VanDerWaalsContact CE-ND1 3.26Å; M66-H93 WeakPolarHBondContact CE-ND1 3.41Å; M66-H93 HydrophobicContact SD-CB 3.96Å; M66-H93 PolarHBondContact SD-ND1 2.76Å; D90-H93 PolarHBondContact O-CE1 2.84Å; V91-H93 PolarHBondContact O-N 3.26Å; H93-A155 HydrophobicContact CB-CB 4.16Å; H93-A155 WeakPolarHBondContact CD2-CB 3.44Å; H93-A155 WeakPolarHBondContact O-CA 3.38Å; H93-A155 WeakPolarHBondContact O-CB 3.38Å
94	M	96.6	Very high	98	Very high	31 Å²	31	24.8 Å²	24.8	15%	0.153	13%	0.133	C	C	.	.	S	Bend	trans	-69.5	148	175.2	-61.7	-69.6	-76.7	0	0	111.4	V91 Q96 V152 S153 A155	V91-M94 HydrophobicContact CB-CG 4.16Å; V91-M94 WeakPolarHBondContact O-CB 3.42Å; V91-M94 VanDerWaalsContact O-CG 3.29Å; V91-M94 WeakPolarHBondContact O-CG 3.34Å; V91-M94 PolarHBondContact O-N 3Å; M94-Q96 PolarHBondContact O-N 2.71Å; M94-V152 HydrophobicContact CB-CG1 3.93Å; M94-V152 HydrophobicContact CE-CG1 4.27Å; M94-S153 WeakPolarHBondContact CE-O 3.41Å; M94-A155 HydrophobicContact SD-CB 4.23Å
95	L	97.1	Very high	98	Very high	12 Å²	12	20 Å²	20	6%	0.063	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.3	175.5	179.9	58.4	0	0	0	109.7	V152 S153 I158 D161 K162 H183	L95-V152 VanDerWaalsContact O-CA 3.28Å; L95-V152 WeakPolarHBondContact O-CA 3.49Å; L95-S153 PolarHBondContact N-O 3.04Å; L95-S153 PolarHBondContact O-N 3.05Å; L95-I158 HydrophobicContact CB-CG1 4.2Å; L95-I158 HydrophobicContact CD1-CG2 4.43Å; L95-D161 HydrophobicContact CD2-CB 3.96Å; L95-K162 HydrophobicContact CD1-CG 4.48Å; L95-K162 HydrophobicContact CD2-CG 4.17Å; L95-H183 HydrophobicContact CD1-CB 4.47Å
96	Q	98.3	Very high	98.1	Very high	13 Å²	13	19 Å²	19	6%	0.061	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133	166.1	-73.6	169.6	90.1	0	0	109.4	M94 F150 I151 V152 P184 R187 V189 S244	M94-Q96 PolarHBondContact O-N 2.71Å; Q96-F150 HydrophobicContact CB-CE2 4.24Å; Q96-F150 HydrophobicContact CB-CZ 4.46Å; Q96-F150 HydrophobicContact CG-CE2 4.24Å; Q96-F150 HydrophobicContact CG-CZ 3.98Å; Q96-I151 WeakPolarHBondContact CA-O 3.44Å; Q96-V152 HydrophobicContact CG-CG2 4.41Å; Q96-P184 WeakPolarHBondContact O-CD 3.1Å; Q96-R187 VanDerWaalsContact NE2-CB 3.26Å; Q96-V189 VanDerWaalsContact CD-CG2 3.48Å; Q96-V189 HydrophobicContact CG-CG2 4.27Å; Q96-S244 PolarHBondContact OE1-OG 2.84Å
97	T	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.5	-178.2	-58	0	0	0	0	110	I99 I151 L165 V181 E182 H183	T97-I99 HydrophobicContact CG2-CD1 4.45Å; T97-I99 HydrophobicContact CG2-CG1 4Å; T97-I151 PolarHBondContact N-O 3.14Å; T97-I151 PolarHBondContact O-N 2.69Å; T97-L165 HydrophobicContact CG2-CD1 4.22Å; T97-V181 HydrophobicContact CG2-CG1 3.75Å; T97-E182 CarbonylContact C-O 3.36Å; T97-E182 WeakPolarHBondContact CA-O 3.32Å; T97-E182 WeakPolarHBondContact CG2-O 3.29Å; T97-H183 PolarHBondContact OG1-CE1 3.42Å; T97-H183 PolarHBondContact OG1-ND1 3.02Å
98	R	98.3	Very high	98.2	Very high	65 Å²	65	19 Å²	19	25%	0.245	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.1	171	175.4	167.7	-164	-121.1	9.3	108.6	D147 H148 L149 E182 P184	R98-D147 IonicContact CZ-OD1 3.76Å; R98-D147 IonicContact CZ-OD2 2.91Å; R98-D147 IonicContact NH2-OD1 3.76Å; R98-D147 PolarHBondContact NH2-OD1 3.4Å; R98-D147 IonicContact NH2-OD2 2.67Å; R98-D147 PolarHBondContact NH2-OD2 3.28Å; R98-H148 HydrophobicContact CG-CB 3.78Å; R98-H148 VanDerWaalsContact NE-CG 3.29Å; R98-H148 PolarHBondContact NE-ND1 3.18Å; R98-L149 WeakPolarHBondContact CA-O 3.49Å; R98-E182 HydrophobicContact CB-CB 4.3Å; R98-E182 WeakPolarHBondContact CD-OE2 3.48Å; R98-E182 IonicContact CZ-OE2 2.7Å; R98-E182 PolarHBondContact N-O 2.97Å; R98-E182 IonicContact NH1-OE2 3.43Å; R98-E182 PolarHBondContact NH1-OE2 3.43Å; R98-E182 VanDerWaalsContact NH1-OE2 3.09Å; R98-E182 PolarHBondContact O-N 3.25Å; R98-P184 HydrophobicContact CB-CG 4.28Å
99	I	98.7	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.8	177.1	-53.9	-177.4	0	0	0	108.7	T97 R104 F107 V108 H148 L149 I151 L165 V179 V180 V181	T97-I99 HydrophobicContact CG2-CD1 4.45Å; T97-I99 HydrophobicContact CG2-CG1 4Å; I99-R104 HydrophobicContact CG2-CB 3.96Å; I99-R104 WeakPolarHBondContact O-CD 3.33Å; I99-F107 HydrophobicContact CD1-CD1 4.2Å; I99-F107 HydrophobicContact CD1-CE1 4.02Å; I99-F107 HydrophobicContact CG2-CD1 3.92Å; I99-F107 HydrophobicContact CG2-CE1 4.39Å; I99-V108 HydrophobicContact CD1-CG2 3.58Å; I99-V108 HydrophobicContact CG2-CG2 4.45Å; I99-H148 CarbonylContact O-C 3.22Å; I99-H148 VanDerWaalsContact O-CA 3.31Å; I99-H148 WeakPolarHBondContact O-CA 3.42Å; I99-H148 WeakPolarHBondContact O-CB 3.38Å; I99-L149 HydrophobicContact CB-CB 4.41Å; I99-L149 PolarHBondContact N-O 2.89Å; I99-L149 PolarHBondContact O-N 3.04Å; I99-I151 HydrophobicContact CD1-CD1 3.58Å; I99-I151 HydrophobicContact CG1-CD1 4.44Å; I99-L165 HydrophobicContact CD1-CD2 4.14Å; I99-V179 HydrophobicContact CG2-CG2 3.71Å; I99-V180 VanDerWaalsContact CA-O 3.3Å; I99-V180 WeakPolarHBondContact CA-O 3.43Å; I99-V181 HydrophobicContact CD1-CG2 4.45Å; I99-V181 HydrophobicContact CG1-CG2 4.25Å; I99-V181 HydrophobicContact CG2-CG2 4.43Å
100	S	98.7	Very high	98.2	Very high	18 Å²	18	21.1 Å²	21.1	13%	0.126	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-178.3	-175.9	58.5	0	0	0	0	110.9	V179 V180	S100-V179 WeakPolarHBondContact O-CA 3.24Å; S100-V180 PolarHBondContact N-O 3.31Å; S100-V180 PolarHBondContact O-N 3.32Å
101	G	98.3	Very high	98.1	Very high	16 Å²	16	21.4 Å²	21.4	17%	0.165	13%	0.129	C	C	.	.	S	Bend	trans	93.2	161.9	-169.8	0	0	0	0	0	112.7	D103 R104 D178	G101-D103 VanDerWaalsContact C-N 3.26Å; G101-D103 PolarHBondContact O-N 3.49Å; G101-R104 WeakPolarHBondContact O-CB 3.38Å; G101-R104 WeakPolarHBondContact O-CD 3.32Å; G101-R104 VanDerWaalsContact O-CG 3.27Å; G101-R104 WeakPolarHBondContact O-CG 3.07Å; G101-R104 PolarHBondContact O-N 3.15Å; G101-R104 PolarHBondContact O-NH1 3.09Å; G101-D178 CarbonylContact C-O 3.55Å; G101-D178 VanDerWaalsContact C-O 3.31Å; G101-D178 WeakPolarHBondContact CA-O 3.22Å; G101-D178 WeakPolarHBondContact CA-OD2 3.22Å
102	A	98	Very high	98.2	Very high	75 Å²	75	21.3 Å²	21.3	62%	0.62	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.1	-176.2	0	0	0	0	0	113.2	D178	A102-D178 HydrophobicContact CB-CB 4.26Å; A102-D178 PolarHBondContact N-O 3.18Å; A102-D178 PolarHBondContact N-OD2 2.77Å
103	D	98.5	Very high	98.2	Very high	29 Å²	29	20.9 Å²	20.9	16%	0.155	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	2.4	-175.2	-69.8	-51	0	0	0	114.3	G101 T105 A106 F107 W172 R177 D178	G101-D103 VanDerWaalsContact C-N 3.26Å; G101-D103 PolarHBondContact O-N 3.49Å; D103-T105 VanDerWaalsContact C-N 3.25Å; D103-T105 PolarHBondContact O-N 2.78Å; D103-T105 VanDerWaalsContact O-N 3.08Å; D103-A106 PolarHBondContact O-N 2.89Å; D103-A106 VanDerWaalsContact O-N 3.09Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 2.82Å; D103-W172 HydrophobicContact CB-CE3 4.17Å; D103-W172 HydrophobicContact CB-CZ3 3.99Å; D103-R177 HydrophobicContact CB-CB 4.4Å; D103-R177 IonicContact OD1-CZ 2.74Å; D103-R177 IonicContact OD1-NE 2.67Å; D103-R177 PolarHBondContact OD1-NE 2.83Å; D103-R177 IonicContact OD1-NH2 3.66Å; D103-R177 PolarHBondContact OD1-NH2 3.14Å; D103-R177 VanDerWaalsContact OD2-CA 3.24Å; D103-R177 WeakPolarHBondContact OD2-CA 3.16Å; D103-R177 WeakPolarHBondContact OD2-CB 3.2Å; D103-R177 IonicContact OD2-CZ 3.61Å; D103-R177 IonicContact OD2-NE 3.64Å; D103-R177 PolarHBondContact OD2-NE 3.39Å; D103-R177 IonicContact OD2-NH2 3.73Å; D103-D178 WeakPolarHBondContact CB-O 3.36Å; D103-D178 PolarHBondContact N-O 2.87Å; D103-D178 PolarHBondContact OD2-N 2.77Å
104	R	98.6	Very high	98.3	Very high	52 Å²	52	20.9 Å²	20.9	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-47.9	-41	-174.9	65.7	-171.5	176.9	-75.1	5.6	114.7	I99 G101 V108 D146 L149	I99-R104 HydrophobicContact CG2-CB 3.96Å; I99-R104 WeakPolarHBondContact O-CD 3.33Å; G101-R104 WeakPolarHBondContact O-CB 3.38Å; G101-R104 WeakPolarHBondContact O-CD 3.32Å; G101-R104 VanDerWaalsContact O-CG 3.27Å; G101-R104 WeakPolarHBondContact O-CG 3.07Å; G101-R104 PolarHBondContact O-N 3.15Å; G101-R104 PolarHBondContact O-NH1 3.09Å; R104-V108 WeakPolarHBondContact O-CG2 3.36Å; R104-V108 PolarHBondContact O-N 2.82Å; R104-V108 VanDerWaalsContact O-N 3.16Å; R104-D146 PolarHBondContact NH2-O 2.93Å; R104-L149 HydrophobicContact CB-CD1 4.37Å; R104-L149 HydrophobicContact CB-CG 4.42Å; R104-L149 HydrophobicContact CG-CD1 4.45Å; R104-L149 HydrophobicContact CG-CG 4.2Å; R104-L149 WeakPolarHBondContact O-CD1 3.42Å
105	T	98.3	Very high	98.4	Very high	23 Å²	23	21.7 Å²	21.7	14%	0.141	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-57	178.1	-52.9	0	0	0	0	111.2	D103 F107 V108 E109 I116 D117	D103-T105 VanDerWaalsContact C-N 3.25Å; D103-T105 PolarHBondContact O-N 2.78Å; D103-T105 VanDerWaalsContact O-N 3.08Å; T105-F107 VanDerWaalsContact C-N 3.25Å; T105-F107 PolarHBondContact O-N 2.91Å; T105-V108 PolarHBondContact O-N 2.86Å; T105-E109 WeakPolarHBondContact O-CG 3.44Å; T105-E109 PolarHBondContact O-N 2.9Å; T105-I116 HydrophobicContact CG2-CB 4.22Å; T105-I116 HydrophobicContact CG2-CG2 4.15Å; T105-D117 HydrophobicContact CG2-CB 3.77Å
106	A	98.3	Very high	98.5	Very high	39 Å²	39	21.1 Å²	21.1	32%	0.322	13%	0.128	S	C	.	.	H	α-helix	trans	-64.6	-32	-177.9	0	0	0	0	0	112	D103 S110 W172	D103-A106 PolarHBondContact O-N 2.89Å; D103-A106 VanDerWaalsContact O-N 3.09Å; A106-S110 WeakPolarHBondContact O-CB 3.13Å; A106-S110 PolarHBondContact O-N 3.06Å; A106-W172 HydrophobicContact CB-CH2 3.74Å; A106-W172 HydrophobicContact CB-CZ3 4.1Å
107	F	98.7	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-54.7	171.6	177.1	-104.6	0	0	0	112	I99 D103 T105 E109 S110 L111 L165 A168 C169 W172 V179 V181	I99-F107 HydrophobicContact CD1-CD1 4.2Å; I99-F107 HydrophobicContact CD1-CE1 4.02Å; I99-F107 HydrophobicContact CG2-CD1 3.92Å; I99-F107 HydrophobicContact CG2-CE1 4.39Å; D103-F107 WeakPolarHBondContact O-CB 3.46Å; D103-F107 PolarHBondContact O-N 2.82Å; T105-F107 VanDerWaalsContact C-N 3.25Å; T105-F107 PolarHBondContact O-N 2.91Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 2.85Å; F107-S110 PolarHBondContact O-N 3.28Å; F107-S110 VanDerWaalsContact O-N 3.13Å; F107-S110 PolarHBondContact O-OG 2.85Å; F107-L111 HydrophobicContact CE1-CD1 4.02Å; F107-L111 HydrophobicContact CE2-CD1 4.36Å; F107-L111 HydrophobicContact CZ-CD1 3.87Å; F107-L165 HydrophobicContact CE1-CD2 4Å; F107-L165 HydrophobicContact CZ-CD2 4.38Å; F107-A168 HydrophobicContact CE2-CB 3.61Å; F107-A168 HydrophobicContact CZ-CB 3.78Å; F107-C169 HydrophobicContact CE2-CB 4.29Å; F107-C169 HydrophobicContact CZ-CB 4.07Å; F107-W172 HydrophobicContact CB-CD2 4.42Å; F107-W172 HydrophobicContact CB-CE3 4.38Å; F107-W172 HydrophobicContact CD2-CB 4.28Å; F107-W172 AromaticContact CD2-CD1 3.66Å; F107-W172 AromaticContact CD2-CD2 3.85Å; F107-W172 HydrophobicContact CD2-CD2 3.85Å; F107-W172 AromaticContact CD2-CG 3.68Å; F107-W172 HydrophobicContact CD2-CG 3.68Å; F107-W172 AromaticContact CD2-NE1 3.81Å; F107-W172 AromaticContact CE2-CD1 3.91Å; F107-W172 HydrophobicContact CE2-CG 4.18Å; F107-V179 HydrophobicContact CB-CB 4.49Å; F107-V179 HydrophobicContact CB-CG2 4Å; F107-V179 HydrophobicContact CD1-CG2 3.83Å; F107-V179 HydrophobicContact CD2-CG1 4.16Å; F107-V179 HydrophobicContact CD2-CG2 4.23Å; F107-V179 HydrophobicContact CE1-CG2 4.37Å; F107-V179 HydrophobicContact CG-CB 4.47Å; F107-V179 HydrophobicContact CG-CG1 4.45Å; F107-V179 HydrophobicContact CG-CG2 3.74Å; F107-V181 HydrophobicContact CE1-CG2 3.88Å; F107-V181 HydrophobicContact CZ-CG2 4.15Å
108	V	98.7	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-32.4	-179.2	178.7	0	0	0	0	111.8	I99 R104 T105 S110 L111 T112 I116 V142 L149 I151	I99-V108 HydrophobicContact CD1-CG2 3.58Å; I99-V108 HydrophobicContact CG2-CG2 4.45Å; R104-V108 WeakPolarHBondContact O-CG2 3.36Å; R104-V108 PolarHBondContact O-N 2.82Å; R104-V108 VanDerWaalsContact O-N 3.16Å; T105-V108 PolarHBondContact O-N 2.86Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.26Å; V108-L111 PolarHBondContact O-N 3.47Å; V108-T112 HydrophobicContact CG1-CG2 4.09Å; V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.49Å; V108-T112 PolarHBondContact O-N 3.34Å; V108-T112 VanDerWaalsContact O-N 3.12Å; V108-T112 PolarHBondContact O-OG1 3.05Å; V108-I116 HydrophobicContact CG1-CD1 4.48Å; V108-I116 HydrophobicContact CG1-CG1 4.13Å; V108-V142 HydrophobicContact CG1-CG1 4.25Å; V108-V142 HydrophobicContact CG1-CG2 4.05Å; V108-L149 HydrophobicContact CB-CD1 3.94Å; V108-L149 HydrophobicContact CG2-CD1 3.57Å; V108-I151 HydrophobicContact CG1-CD1 4.29Å; V108-I151 HydrophobicContact CG2-CD1 4.14Å
109	E	98.7	Very high	98.2	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-35.8	170.8	-71.5	-156.7	148.8	0	0	112.5	T105 F107 L111 T112 D115 I116 D117 R309 R312	T105-E109 WeakPolarHBondContact O-CG 3.44Å; T105-E109 PolarHBondContact O-N 2.9Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 2.85Å; E109-L111 PolarHBondContact O-N 3Å; E109-L111 VanDerWaalsContact O-N 3.14Å; E109-T112 PolarHBondContact O-N 2.98Å; E109-D115 WeakPolarHBondContact OE1-CA 3.3Å; E109-I116 HydrophobicContact CG-CB 3.78Å; E109-I116 HydrophobicContact CG-CG1 3.84Å; E109-I116 PolarHBondContact OE1-N 3.17Å; E109-D117 PolarHBondContact OE1-N 2.9Å; E109-R309 PolarHBondContact O-NH1 3.4Å; E109-R309 VanDerWaalsContact O-NH1 3.08Å; E109-R309 PolarHBondContact O-NH2 3.4Å; E109-R312 IonicContact OE1-NH2 3.63Å; E109-R312 IonicContact OE2-CZ 3.04Å; E109-R312 IonicContact OE2-NH1 3.36Å; E109-R312 IonicContact OE2-NH2 3.09Å; E109-R312 PolarHBondContact OE2-NH2 3.21Å
110	S	98.4	Very high	98.1	Very high	36 Å²	36	32.6 Å²	32.6	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.1	176.9	77.7	0	0	0	0	114.9	A106 F107 V108 W172 P316	A106-S110 WeakPolarHBondContact O-CB 3.13Å; A106-S110 PolarHBondContact O-N 3.06Å; F107-S110 PolarHBondContact O-N 3.28Å; F107-S110 VanDerWaalsContact O-N 3.13Å; F107-S110 PolarHBondContact O-OG 2.85Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.26Å; S110-W172 WeakPolarHBondContact OG-CZ2 3.5Å; S110-W172 PolarHBondContact OG-NE1 2.86Å; S110-P316 WeakPolarHBondContact O-CD 3.15Å; S110-P316 WeakPolarHBondContact O-CG 3.47Å
111	L	98.6	Very high	98	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-15.8	179.2	-55.4	179.3	0	0	0	113.4	F107 V108 E109 F129 T130 L165 A168	F107-L111 HydrophobicContact CE1-CD1 4.02Å; F107-L111 HydrophobicContact CE2-CD1 4.36Å; F107-L111 HydrophobicContact CZ-CD1 3.87Å; V108-L111 PolarHBondContact O-N 3.47Å; E109-L111 PolarHBondContact O-N 3Å; E109-L111 VanDerWaalsContact O-N 3.14Å; L111-F129 HydrophobicContact CB-CD1 3.76Å; L111-F129 HydrophobicContact CB-CE1 3.95Å; L111-F129 HydrophobicContact CD1-CE1 4.23Å; L111-F129 WeakPolarHBondContact O-CA 3.49Å; L111-T130 PolarHBondContact O-N 2.77Å; L111-L165 HydrophobicContact CD1-CD2 3.83Å; L111-A168 HydrophobicContact CD1-CB 4Å; L111-A168 HydrophobicContact CD2-CB 3.88Å; L111-A168 HydrophobicContact CG-CB 4.5Å
112	T	98.7	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-133	163.9	-168.1	69.5	0	0	0	0	113.6	V108 E109 T127 V128 F129 R309	V108-T112 HydrophobicContact CG1-CG2 4.09Å; V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.49Å; V108-T112 PolarHBondContact O-N 3.34Å; V108-T112 VanDerWaalsContact O-N 3.12Å; V108-T112 PolarHBondContact O-OG1 3.05Å; E109-T112 PolarHBondContact O-N 2.98Å; T112-T127 HydrophobicContact CG2-CG2 3.92Å; T112-V128 VanDerWaalsContact CA-O 3.29Å; T112-V128 WeakPolarHBondContact CA-O 3.33Å; T112-V128 WeakPolarHBondContact CB-O 3.46Å; T112-F129 HydrophobicContact CG2-CD1 3.52Å; T112-F129 HydrophobicContact CG2-CE1 3.74Å; T112-F129 HydrophobicContact CG2-CG 4.49Å; T112-R309 PolarHBondContact O-NH1 3.28Å
113	V	98.7	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-91.8	0	-176.3	-56.5	0	0	0	0	115.1	V128 T130 L304 I305 A306 R309 F315	V113-V128 HydrophobicContact CG1-CG2 4.21Å; V113-V128 HydrophobicContact CG2-CG2 3.59Å; V113-T130 HydrophobicContact CG1-CG2 3.77Å; V113-L304 HydrophobicContact CG2-CB 3.9Å; V113-I305 HydrophobicContact CB-CB 4.44Å; V113-I305 HydrophobicContact CB-CG1 4.25Å; V113-I305 HydrophobicContact CB-CG2 4.41Å; V113-I305 HydrophobicContact CG2-CG1 4.31Å; V113-I305 WeakPolarHBondContact O-CA 3.41Å; V113-A306 PolarHBondContact O-N 3.38Å; V113-R309 WeakPolarHBondContact O-CG 3.37Å; V113-F315 HydrophobicContact CG1-CD2 3.8Å; V113-F315 HydrophobicContact CG1-CE2 4.05Å; V113-F315 HydrophobicContact CG1-CG 4.42Å
114	A	98.3	Very high	97.9	Very high	4 Å²	4	37 Å²	37	3%	0.033	21%	0.211	C	C	.	.	S	Bend	trans	-91.3	161.1	-175.8	0	0	0	0	0	112.9	I116 A125 T127 R309	A114-I116 HydrophobicContact CB-CD1 3.8Å; A114-A125 HydrophobicContact CB-CB 4.27Å; A114-T127 HydrophobicContact CB-CG2 4.46Å; A114-T127 VanDerWaalsContact CB-OG1 3.31Å; A114-T127 WeakPolarHBondContact CB-OG1 3.29Å; A114-T127 PolarHBondContact N-OG1 3.32Å; A114-R309 VanDerWaalsContact O-CD 3.31Å; A114-R309 WeakPolarHBondContact O-CD 3.32Å; A114-R309 VanDerWaalsContact O-CG 3.25Å; A114-R309 WeakPolarHBondContact O-CG 3.21Å; A114-R309 PolarHBondContact O-NH1 3.07Å
115	D	98.1	Very high	97.9	Very high	47 Å²	47	35.4 Å²	35.4	25%	0.251	21%	0.209	S	C	.	.			trans	-93.9	91.1	173.6	-171.8	-11.7	0	0	0	107.6	E109 G118 A306 A308 R309	E109-D115 WeakPolarHBondContact OE1-CA 3.3Å; D115-G118 WeakPolarHBondContact OD1-CA 3.47Å; D115-G118 PolarHBondContact OD1-N 2.79Å; D115-A306 HydrophobicContact CB-CB 3.49Å; D115-A306 VanDerWaalsContact CB-CB 3.49Å; D115-A308 VanDerWaalsContact OD2-CB 3.24Å; D115-A308 WeakPolarHBondContact OD2-CB 3.44Å; D115-R309 HydrophobicContact CB-CG 4.47Å
116	I	98.2	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-84.6	-27.6	-176.6	-51.5	-59.4	0	0	0	109.9	T105 V108 E109 A114 L119 V142 K144 L149	T105-I116 HydrophobicContact CG2-CB 4.22Å; T105-I116 HydrophobicContact CG2-CG2 4.15Å; V108-I116 HydrophobicContact CG1-CD1 4.48Å; V108-I116 HydrophobicContact CG1-CG1 4.13Å; E109-I116 HydrophobicContact CG-CB 3.78Å; E109-I116 HydrophobicContact CG-CG1 3.84Å; E109-I116 PolarHBondContact OE1-N 3.17Å; A114-I116 HydrophobicContact CB-CD1 3.8Å; I116-L119 HydrophobicContact CD1-CD1 4.17Å; I116-L119 HydrophobicContact CG2-CD1 4.44Å; I116-L119 PolarHBondContact O-N 2.64Å; I116-V142 HydrophobicContact CD1-CB 4.11Å; I116-V142 HydrophobicContact CD1-CG1 4Å; I116-V142 HydrophobicContact CD1-CG2 4.4Å; I116-V142 HydrophobicContact CG2-CG1 4.45Å; I116-K144 PolarHBondContact O-NZ 2.85Å; I116-K144 VanDerWaalsContact O-NZ 3.08Å; I116-L149 HydrophobicContact CG2-CD1 3.82Å; I116-L149 HydrophobicContact CG2-CD2 4.02Å
117	D	97.1	Very high	97.9	Very high	104 Å²	104	34.7 Å²	34.7	56%	0.556	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-43.5	172.1	-164.2	50.4	0	0	0	111	T105 E109 L119 K144	T105-D117 HydrophobicContact CG2-CB 3.77Å; E109-D117 PolarHBondContact OE1-N 2.9Å; D117-L119 PolarHBondContact O-N 3.01Å; D117-K144 PolarHBondContact O-NZ 3.35Å
118	G	96.8	Very high	97.9	Very high	55 Å²	55	34.7 Å²	34.7	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-6	174.5	0	0	0	0	0	116.3	D115	D115-G118 WeakPolarHBondContact OD1-CA 3.47Å; D115-G118 PolarHBondContact OD1-N 2.79Å
119	L	97	Very high	98	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.136	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-69.5	142	170.6	-75.1	175.9	0	0	0	111.1	I116 D117 M123 A125 K144	I116-L119 HydrophobicContact CD1-CD1 4.17Å; I116-L119 HydrophobicContact CG2-CD1 4.44Å; I116-L119 PolarHBondContact O-N 2.64Å; D117-L119 PolarHBondContact O-N 3.01Å; L119-M123 HydrophobicContact CD2-CB 4.09Å; L119-A125 HydrophobicContact CD1-CB 4.26Å; L119-A125 HydrophobicContact CD2-CB 4.35Å; L119-K144 HydrophobicContact CB-CB 4.05Å; L119-K144 HydrophobicContact CB-CD 3.64Å; L119-K144 HydrophobicContact CD1-CB 4.25Å; L119-K144 VanDerWaalsContact O-CD 3.3Å; L119-K144 WeakPolarHBondContact O-CD 3.31Å; L119-K144 WeakPolarHBondContact O-CE 3.25Å; L119-K144 PolarHBondContact O-NZ 3.28Å
120	Q	96.5	Very high	98	Very high	135 Å²	135	34 Å²	34	63%	0.631	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-84.6	160.9	165.6	-62.6	179.7	-38.6	0	0	110.3	M123	Q120-M123 HydrophobicContact CB-CG 3.86Å; Q120-M123 WeakPolarHBondContact O-CB 3.47Å; Q120-M123 PolarHBondContact O-N 3.33Å; Q120-M123 VanDerWaalsContact O-N 3.11Å
121	E	96.6	Very high	98	Very high	142 Å²	142	33.7 Å²	33.7	66%	0.664	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141.6	171.9	-163.1	-171	130.2	0	0	111.2	M123 K144	E121-M123 PolarHBondContact O-N 3.28Å; E121-M123 VanDerWaalsContact O-N 3.13Å; E121-K144 CarbonylContact C-O 3.59Å
122	G	96.6	Very high	97.9	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-13.5	-173.4	0	0	0	0	0	114.6	K144 S216 S217	G122-K144 PolarHBondContact N-O 2.87Å; G122-S216 CarbonylContact O-C 3.57Å; G122-S216 VanDerWaalsContact O-CA 3.25Å; G122-S216 WeakPolarHBondContact O-CA 3.43Å; G122-S217 PolarHBondContact O-N 2.55Å
123	M	97.8	Very high	97.9	Very high	57 Å²	57	43.1 Å²	43.1	28%	0.281	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-84.1	154.7	179	-61.1	-66.6	152.7	0	0	112.1	L119 Q120 E121 K144	L119-M123 HydrophobicContact CD2-CB 4.09Å; Q120-M123 HydrophobicContact CB-CG 3.86Å; Q120-M123 WeakPolarHBondContact O-CB 3.47Å; Q120-M123 PolarHBondContact O-N 3.33Å; Q120-M123 VanDerWaalsContact O-N 3.11Å; E121-M123 PolarHBondContact O-N 3.28Å; E121-M123 VanDerWaalsContact O-N 3.13Å; M123-K144 PolarHBondContact O-N 2.89Å
124	A	98.1	Very high	97.9	Very high	15 Å²	15	43.1 Å²	43.1	12%	0.124	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.9	-179.4	0	0	0	0	0	112.8	I141 V142 T143 M215	A124-I141 HydrophobicContact CB-CG2 3.95Å; A124-V142 CarbonylContact C-O 3.47Å; A124-V142 WeakPolarHBondContact CA-O 3.46Å; A124-V142 WeakPolarHBondContact CB-O 3.38Å; A124-T143 HydrophobicContact CB-CG2 4.35Å; A124-T143 WeakPolarHBondContact CB-OG1 3.47Å; A124-M215 HydrophobicContact CB-CE 4.01Å; A124-M215 PolarHBondContact N-O 3.19Å
125	A	98	Very high	97.9	Very high	19 Å²	19	43 Å²	43	16%	0.157	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.6	170.6	0	0	0	0	0	109.8	A114 L119 I141 V142	A114-A125 HydrophobicContact CB-CB 4.27Å; L119-A125 HydrophobicContact CD1-CB 4.26Å; L119-A125 HydrophobicContact CD2-CB 4.35Å; A125-I141 WeakPolarHBondContact O-CA 3.47Å; A125-V142 PolarHBondContact N-O 2.98Å; A125-V142 PolarHBondContact O-N 3.31Å
126	L	98.4	Very high	98	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.246	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.7	153.9	179.5	64.4	0	0	0	106.5	I141 M215 W303 L304	L126-I141 HydrophobicContact CD1-CG1 4.09Å; L126-M215 HydrophobicContact CB-CE 4.36Å; L126-M215 VanDerWaalsContact N-CE 3.35Å; L126-W303 HydrophobicContact CB-CH2 4.44Å; L126-W303 HydrophobicContact CD2-CH2 3.94Å; L126-W303 HydrophobicContact CD2-CZ2 4.06Å; L126-L304 HydrophobicContact CB-CD2 4.14Å; L126-L304 HydrophobicContact CD2-CD2 4.04Å; L126-L304 HydrophobicContact CG-CD2 3.9Å; L126-L304 WeakPolarHBondContact O-CD2 3.46Å
127	T	98.7	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-179.3	177.3	-167	0	0	0	0	109.5	T112 A114 L140 V142	T112-T127 HydrophobicContact CG2-CG2 3.92Å; A114-T127 HydrophobicContact CB-CG2 4.46Å; A114-T127 VanDerWaalsContact CB-OG1 3.31Å; A114-T127 WeakPolarHBondContact CB-OG1 3.29Å; A114-T127 PolarHBondContact N-OG1 3.32Å; T127-L140 HydrophobicContact CG2-CD1 4.21Å; T127-L140 HydrophobicContact CG2-CD2 4.01Å; T127-L140 HydrophobicContact CG2-CG 3.74Å; T127-L140 PolarHBondContact N-O 2.94Å; T127-L140 PolarHBondContact O-N 2.77Å; T127-V142 HydrophobicContact CG2-CG2 3.67Å
128	V	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.1	174.4	-76.8	0	0	0	0	109.2	T112 V113 T130 I136 D138 D139 P296 L304	T112-V128 VanDerWaalsContact CA-O 3.29Å; T112-V128 WeakPolarHBondContact CA-O 3.33Å; T112-V128 WeakPolarHBondContact CB-O 3.46Å; V113-V128 HydrophobicContact CG1-CG2 4.21Å; V113-V128 HydrophobicContact CG2-CG2 3.59Å; V128-T130 HydrophobicContact CG2-CG2 4.17Å; V128-I136 HydrophobicContact CB-CG1 4.18Å; V128-I136 HydrophobicContact CB-CG2 3.99Å; V128-I136 HydrophobicContact CG1-CD1 4.15Å; V128-I136 HydrophobicContact CG1-CG1 4.08Å; V128-I136 HydrophobicContact CG1-CG2 3.7Å; V128-I136 HydrophobicContact CG2-CG1 4.29Å; V128-D138 CarbonylContact C-O 3.59Å; V128-D138 VanDerWaalsContact CA-O 3.24Å; V128-D138 WeakPolarHBondContact CA-O 3.39Å; V128-D139 HydrophobicContact CG1-CB 3.84Å; V128-P296 HydrophobicContact CG2-CG 3.94Å; V128-L304 HydrophobicContact CG1-CD1 3.89Å; V128-L304 HydrophobicContact CG2-CD1 4.18Å
129	F	98.8	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.6	158.4	-70.4	-51.4	0	0	0	108	L111 T112 I136 K137 D138 L140 L165	L111-F129 HydrophobicContact CB-CD1 3.76Å; L111-F129 HydrophobicContact CB-CE1 3.95Å; L111-F129 HydrophobicContact CD1-CE1 4.23Å; L111-F129 WeakPolarHBondContact O-CA 3.49Å; T112-F129 HydrophobicContact CG2-CD1 3.52Å; T112-F129 HydrophobicContact CG2-CE1 3.74Å; T112-F129 HydrophobicContact CG2-CG 4.49Å; F129-I136 CarbonylContact O-C 3.48Å; F129-I136 WeakPolarHBondContact O-CA 3.3Å; F129-K137 HydrophobicContact CB-CB 3.82Å; F129-K137 HydrophobicContact CB-CG 4.39Å; F129-K137 PolarHBondContact O-N 2.79Å; F129-D138 HydrophobicContact CD2-CB 4.27Å; F129-D138 PolarHBondContact N-O 3.45Å; F129-L140 HydrophobicContact CB-CD2 4.38Å; F129-L140 HydrophobicContact CD1-CD1 4.46Å; F129-L140 HydrophobicContact CD1-CD2 4.2Å; F129-L140 HydrophobicContact CD2-CD1 4.32Å; F129-L140 HydrophobicContact CD2-CD2 3.66Å; F129-L140 HydrophobicContact CE1-CD1 3.88Å; F129-L140 HydrophobicContact CE1-CD2 4.41Å; F129-L140 HydrophobicContact CE2-CD1 3.73Å; F129-L140 HydrophobicContact CE2-CD2 3.91Å; F129-L140 HydrophobicContact CE2-CG 4.38Å; F129-L140 HydrophobicContact CG-CD2 3.8Å; F129-L140 HydrophobicContact CZ-CD1 3.47Å; F129-L140 VanDerWaalsContact CZ-CD1 3.47Å; F129-L140 HydrophobicContact CZ-CD2 4.27Å; F129-L140 VanDerWaalsContact N-CD2 3.33Å; F129-L165 HydrophobicContact CE1-CD2 4.17Å; F129-L165 HydrophobicContact CZ-CD1 4.19Å; F129-L165 HydrophobicContact CZ-CD2 3.85Å; F129-L165 HydrophobicContact CZ-CG 4.11Å
130	T	98.8	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.8	174.4	51.9	0	0	0	0	112.5	L111 V113 V128 G135 P296 P316 I321	L111-T130 PolarHBondContact O-N 2.77Å; V113-T130 HydrophobicContact CG1-CG2 3.77Å; V128-T130 HydrophobicContact CG2-CG2 4.17Å; T130-G135 CarbonylContact C-O 3.47Å; T130-G135 VanDerWaalsContact CA-O 3.28Å; T130-G135 WeakPolarHBondContact CA-O 3.46Å; T130-P296 HydrophobicContact CG2-CG 4.17Å; T130-P316 WeakPolarHBondContact CB-O 3.47Å; T130-P316 WeakPolarHBondContact O-CB 3.44Å; T130-P316 PolarHBondContact OG1-O 3.33Å; T130-I321 HydrophobicContact CG2-CD1 4.06Å
131	N	98.5	Very high	98.3	Very high	29 Å²	29	30.2 Å²	30.2	16%	0.155	17%	0.172	C	C	.	.			trans	-106.3	171	169.7	65.5	44.2	0	0	0	110.9	A133 G134 G135 K137 D292 P316 G317	N131-A133 PolarHBondContact O-N 2.83Å; N131-A133 VanDerWaalsContact O-N 3.17Å; N131-A133 WeakPolarHBondContact OD1-CA 3.4Å; N131-A133 WeakPolarHBondContact OD1-CB 3.3Å; N131-A133 PolarHBondContact OD1-N 2.87Å; N131-A133 VanDerWaalsContact OD1-N 3.1Å; N131-G134 WeakPolarHBondContact O-CA 3.44Å; N131-G134 PolarHBondContact O-N 2.8Å; N131-G134 PolarHBondContact OD1-N 3.37Å; N131-G135 PolarHBondContact N-O 2.73Å; N131-G135 PolarHBondContact ND2-O 2.91Å; N131-G135 PolarHBondContact OD1-N 2.79Å; N131-K137 HydrophobicContact CB-CD 4.1Å; N131-K137 HydrophobicContact CB-CG 4.06Å; N131-D292 PolarHBondContact ND2-O 3.08Å; N131-D292 PolarHBondContact ND2-OD1 2.78Å; N131-P316 CarbonylContact O-C 3.5Å; N131-P316 VanDerWaalsContact O-C 3.3Å; N131-G317 WeakPolarHBondContact O-CA 3.31Å; N131-G317 PolarHBondContact O-N 2.75Å
132	D	98.1	Very high	98.4	Very high	140 Å²	140	23.4 Å²	23.4	75%	0.749	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.5	-175	-57.3	-47.9	0	0	0	114.3	G134 G317	D132-G134 VanDerWaalsContact C-N 3.27Å; D132-G317 WeakPolarHBondContact O-CA 3.3Å
133	A	98.2	Very high	98.5	Very high	69 Å²	69	22.8 Å²	22.8	57%	0.57	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.5	169.7	0	0	0	0	0	113.1	N131 G135	N131-A133 PolarHBondContact O-N 2.83Å; N131-A133 VanDerWaalsContact O-N 3.17Å; N131-A133 WeakPolarHBondContact OD1-CA 3.4Å; N131-A133 WeakPolarHBondContact OD1-CB 3.3Å; N131-A133 PolarHBondContact OD1-N 2.87Å; N131-A133 VanDerWaalsContact OD1-N 3.1Å; A133-G135 VanDerWaalsContact C-N 3.33Å
134	G	98.4	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	82.6	1.7	-178.5	0	0	0	0	0	115	N131 D132 T295 P296	N131-G134 WeakPolarHBondContact O-CA 3.44Å; N131-G134 PolarHBondContact O-N 2.8Å; N131-G134 PolarHBondContact OD1-N 3.37Å; D132-G134 VanDerWaalsContact C-N 3.27Å; G134-T295 WeakPolarHBondContact O-CA 3.41Å; G134-T295 WeakPolarHBondContact O-CG2 3.34Å; G134-P296 WeakPolarHBondContact O-CD 3.28Å
135	G	98.6	Very high	98.5	Very high	2 Å²	2	22 Å²	22	2%	0.021	13%	0.127	C	C	.	.			trans	-72.3	151	177.6	0	0	0	0	0	112.6	T130 N131 A133	T130-G135 CarbonylContact C-O 3.47Å; T130-G135 VanDerWaalsContact CA-O 3.28Å; T130-G135 WeakPolarHBondContact CA-O 3.46Å; N131-G135 PolarHBondContact N-O 2.73Å; N131-G135 PolarHBondContact ND2-O 2.91Å; N131-G135 PolarHBondContact OD1-N 2.79Å; A133-G135 VanDerWaalsContact C-N 3.33Å
136	I	98.8	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.8	179.9	-68	163.6	0	0	0	109.5	V128 F129 Y286 M290 D291 D292 T294 P296 A299 L301	V128-I136 HydrophobicContact CB-CG1 4.18Å; V128-I136 HydrophobicContact CB-CG2 3.99Å; V128-I136 HydrophobicContact CG1-CD1 4.15Å; V128-I136 HydrophobicContact CG1-CG1 4.08Å; V128-I136 HydrophobicContact CG1-CG2 3.7Å; V128-I136 HydrophobicContact CG2-CG1 4.29Å; F129-I136 CarbonylContact O-C 3.48Å; F129-I136 WeakPolarHBondContact O-CA 3.3Å; I136-Y286 HydrophobicContact CG2-CD2 4.16Å; I136-Y286 HydrophobicContact CG2-CE2 4.05Å; I136-Y286 WeakPolarHBondContact O-CE2 3.28Å; I136-Y286 PolarHBondContact O-OH 2.84Å; I136-M290 HydrophobicContact CD1-CB 3.98Å; I136-M290 HydrophobicContact CD1-CG 4.42Å; I136-M290 HydrophobicContact CD1-SD 3.99Å; I136-M290 HydrophobicContact CG2-CG 4.47Å; I136-M290 HydrophobicContact CG2-SD 4.42Å; I136-D291 PolarHBondContact N-O 2.67Å; I136-D291 CarbonylContact O-C 3.57Å; I136-D291 VanDerWaalsContact O-O 3.09Å; I136-D292 VanDerWaalsContact O-CA 3.27Å; I136-D292 WeakPolarHBondContact O-CA 3.46Å; I136-D292 PolarHBondContact O-N 3.48Å; I136-T294 WeakPolarHBondContact CG1-O 3.12Å; I136-T294 PolarHBondContact N-O 2.77Å; I136-P296 HydrophobicContact CD1-CG 4.25Å; I136-P296 HydrophobicContact CG1-CG 3.98Å; I136-A299 HydrophobicContact CD1-CB 4.12Å; I136-L301 HydrophobicContact CD1-CD1 4.19Å
137	K	98.6	Very high	98.2	Very high	38 Å²	38	27.9 Å²	27.9	17%	0.165	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-42.4	174.1	-49.8	-164.1	58.9	52.2	0	112.1	F129 N131 K160 Y286 D292	F129-K137 HydrophobicContact CB-CB 3.82Å; F129-K137 HydrophobicContact CB-CG 4.39Å; F129-K137 PolarHBondContact O-N 2.79Å; N131-K137 HydrophobicContact CB-CD 4.1Å; N131-K137 HydrophobicContact CB-CG 4.06Å; K137-K160 WeakPolarHBondContact O-CE 3.32Å; K137-K160 PolarHBondContact O-NZ 2.89Å; K137-Y286 WeakPolarHBondContact O-CE2 3.29Å; K137-Y286 PolarHBondContact O-OH 3.13Å; K137-D292 IonicContact NZ-OD1 3.39Å; K137-D292 PolarHBondContact NZ-OD1 2.97Å
138	D	98.7	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	162.5	167.6	-158.9	37.2	0	0	0	109.7	V128 F129 S153 N154 C157 Y286	V128-D138 CarbonylContact C-O 3.59Å; V128-D138 VanDerWaalsContact CA-O 3.24Å; V128-D138 WeakPolarHBondContact CA-O 3.39Å; F129-D138 HydrophobicContact CD2-CB 4.27Å; F129-D138 PolarHBondContact N-O 3.45Å; D138-S153 WeakPolarHBondContact OD2-CB 3.46Å; D138-N154 VanDerWaalsContact CG-ND2 3.35Å; D138-N154 PolarHBondContact OD1-ND2 2.87Å; D138-N154 WeakPolarHBondContact OD2-CB 3.28Å; D138-N154 PolarHBondContact OD2-N 3.44Å; D138-N154 PolarHBondContact OD2-ND2 3.03Å; D138-C157 HydrophobicContact CB-CB 4.36Å; D138-C157 VanDerWaalsContact CG-SG 3.6Å; D138-C157 PolarHBondContact OD1-SG 2.93Å; D138-Y286 VanDerWaalsContact OD1-CG 3.26Å
139	D	98.6	Very high	98.2	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.123	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.9	164.6	76.9	-60.6	0	0	0	111.9	V128 N154 M290	V128-D139 HydrophobicContact CG1-CB 3.84Å; D139-N154 PolarHBondContact O-ND2 2.96Å; D139-N154 PolarHBondContact OD1-ND2 2.95Å; D139-M290 HydrophobicContact CB-CE 3.57Å; D139-M290 WeakPolarHBondContact OD1-CE 3.37Å
140	L	98.8	Very high	98.2	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.9	-169.1	62	153.8	0	0	0	111.9	T127 F129 V142 I151 V152	T127-L140 HydrophobicContact CG2-CD1 4.21Å; T127-L140 HydrophobicContact CG2-CD2 4.01Å; T127-L140 HydrophobicContact CG2-CG 3.74Å; T127-L140 PolarHBondContact N-O 2.94Å; T127-L140 PolarHBondContact O-N 2.77Å; F129-L140 HydrophobicContact CB-CD2 4.38Å; F129-L140 HydrophobicContact CD1-CD1 4.46Å; F129-L140 HydrophobicContact CD1-CD2 4.2Å; F129-L140 HydrophobicContact CD2-CD1 4.32Å; F129-L140 HydrophobicContact CD2-CD2 3.66Å; F129-L140 HydrophobicContact CE1-CD1 3.88Å; F129-L140 HydrophobicContact CE1-CD2 4.41Å; F129-L140 HydrophobicContact CE2-CD1 3.73Å; F129-L140 HydrophobicContact CE2-CD2 3.91Å; F129-L140 HydrophobicContact CE2-CG 4.38Å; F129-L140 HydrophobicContact CG-CD2 3.8Å; F129-L140 HydrophobicContact CZ-CD1 3.47Å; F129-L140 VanDerWaalsContact CZ-CD1 3.47Å; F129-L140 HydrophobicContact CZ-CD2 4.27Å; F129-L140 VanDerWaalsContact N-CD2 3.33Å; L140-V142 HydrophobicContact CD1-CG2 3.78Å; L140-V142 HydrophobicContact CG-CG2 4.37Å; L140-I151 HydrophobicContact CB-CG2 4.27Å; L140-I151 HydrophobicContact CD1-CD1 4.16Å; L140-I151 HydrophobicContact CD1-CG2 3.58Å; L140-V152 VanDerWaalsContact CA-O 3.28Å; L140-V152 WeakPolarHBondContact CA-O 3.27Å; L140-V152 WeakPolarHBondContact CB-O 3.4Å
141	I	98.7	Very high	98.2	Very high	34 Å²	34	29.9 Å²	29.9	17%	0.174	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.3	168.4	-63	178.5	0	0	0	108.3	A124 A125 L126 I151 V152 M215 C233	A124-I141 HydrophobicContact CB-CG2 3.95Å; A125-I141 WeakPolarHBondContact O-CA 3.47Å; L126-I141 HydrophobicContact CD1-CG1 4.09Å; I141-I151 WeakPolarHBondContact O-CA 3.49Å; I141-V152 PolarHBondContact N-O 3.22Å; I141-V152 PolarHBondContact O-N 3.16Å; I141-M215 HydrophobicContact CD1-CE 4.31Å; I141-M215 HydrophobicContact CG1-CE 4.32Å; I141-M215 HydrophobicContact CG2-CE 3.91Å; I141-C233 HydrophobicContact CD1-CB 4.14Å
142	V	98.7	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.3	171.6	-175.4	0	0	0	0	108.5	V108 I116 A124 A125 T127 L140 L149 I151	V108-V142 HydrophobicContact CG1-CG1 4.25Å; V108-V142 HydrophobicContact CG1-CG2 4.05Å; I116-V142 HydrophobicContact CD1-CB 4.11Å; I116-V142 HydrophobicContact CD1-CG1 4Å; I116-V142 HydrophobicContact CD1-CG2 4.4Å; I116-V142 HydrophobicContact CG2-CG1 4.45Å; A124-V142 CarbonylContact C-O 3.47Å; A124-V142 WeakPolarHBondContact CA-O 3.46Å; A124-V142 WeakPolarHBondContact CB-O 3.38Å; A125-V142 PolarHBondContact N-O 2.98Å; A125-V142 PolarHBondContact O-N 3.31Å; T127-V142 HydrophobicContact CG2-CG2 3.67Å; L140-V142 HydrophobicContact CD1-CG2 3.78Å; L140-V142 HydrophobicContact CG-CG2 4.37Å; V142-L149 HydrophobicContact CG1-CB 4.35Å; V142-L149 HydrophobicContact CG1-CD1 4.47Å; V142-I151 HydrophobicContact CB-CG1 4.34Å; V142-I151 HydrophobicContact CG1-CD1 4.39Å; V142-I151 HydrophobicContact CG1-CG1 4.1Å; V142-I151 HydrophobicContact CG2-CD1 3.96Å; V142-I151 HydrophobicContact CG2-CG1 3.99Å
143	T	98.7	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.1	173	-54.7	0	0	0	0	109.4	A124 L149 F150 S217	A124-T143 HydrophobicContact CB-CG2 4.35Å; A124-T143 WeakPolarHBondContact CB-OG1 3.47Å; T143-L149 CarbonylContact O-C 3.58Å; T143-L149 VanDerWaalsContact O-CA 3.29Å; T143-L149 WeakPolarHBondContact O-CA 3.28Å; T143-F150 PolarHBondContact N-O 2.68Å; T143-F150 PolarHBondContact O-N 3.32Å; T143-S217 WeakPolarHBondContact CG2-OG 3.21Å
144	K	98.4	Very high	98.1	Very high	35 Å²	35	20.8 Å²	20.8	15%	0.152	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.8	177	-175	171.1	-179.5	176.9	0	111	I116 D117 L119 E121 G122 M123 L149	I116-K144 PolarHBondContact O-NZ 2.85Å; I116-K144 VanDerWaalsContact O-NZ 3.08Å; D117-K144 PolarHBondContact O-NZ 3.35Å; L119-K144 HydrophobicContact CB-CB 4.05Å; L119-K144 HydrophobicContact CB-CD 3.64Å; L119-K144 HydrophobicContact CD1-CB 4.25Å; L119-K144 VanDerWaalsContact O-CD 3.3Å; L119-K144 WeakPolarHBondContact O-CD 3.31Å; L119-K144 WeakPolarHBondContact O-CE 3.25Å; L119-K144 PolarHBondContact O-NZ 3.28Å; E121-K144 CarbonylContact C-O 3.59Å; G122-K144 PolarHBondContact N-O 2.87Å; M123-K144 PolarHBondContact O-N 2.89Å; K144-L149 HydrophobicContact CB-CD2 3.89Å; K144-L149 HydrophobicContact CG-CD2 3.81Å
145	D	97.1	Very high	97.9	Very high	21 Å²	21	21 Å²	21	11%	0.112	11%	0.109	C	C	.	.			trans	-113.6	-179.5	173.3	-57.2	-83.7	0	0	0	109.7	H148 R229	D145-H148 CarbonylContact C-O 3.55Å; D145-H148 WeakPolarHBondContact CA-O 3.34Å; D145-H148 WeakPolarHBondContact CB-O 3.22Å; D145-H148 PolarHBondContact N-O 2.99Å; D145-H148 IonicContact OD2-CD2 2.89Å; D145-H148 IonicContact OD2-CE1 3.83Å; D145-H148 IonicContact OD2-NE2 3.86Å; D145-H148 PolarHBondContact OD2-NE2 3.43Å; D145-R229 IonicContact OD1-CZ 2.76Å; D145-R229 IonicContact OD1-NH1 3.34Å; D145-R229 PolarHBondContact OD1-NH1 3.26Å; D145-R229 IonicContact OD1-NH2 2.69Å; D145-R229 PolarHBondContact OD1-NH2 2.95Å; D145-R229 IonicContact OD2-CZ 3.82Å; D145-R229 IonicContact OD2-NH1 3.41Å; D145-R229 PolarHBondContact OD2-NH1 3.34Å; D145-R229 IonicContact OD2-NH2 3.93Å; D145-R229 PolarHBondContact OD2-NH2 3.21Å
146	D	94.4	Very high	97.7	Very high	111 Å²	111	23.6 Å²	23.6	59%	0.594	14%	0.135	S	C	*	.	S	Bend	trans	-64.1	-52.9	179.2	65	-32.3	0	0	0	111.9	R104	R104-D146 PolarHBondContact NH2-O 2.93Å
147	D	96.1	Very high	97.6	Very high	77 Å²	77	23.9 Å²	23.9	41%	0.412	14%	0.137	S	C	.	.	S	Bend	trans	-101.6	-12.5	-174.3	88.5	-18.5	0	0	0	114.6	R98	R98-D147 IonicContact CZ-OD1 3.76Å; R98-D147 IonicContact CZ-OD2 2.91Å; R98-D147 IonicContact NH2-OD1 3.76Å; R98-D147 PolarHBondContact NH2-OD1 3.4Å; R98-D147 IonicContact NH2-OD2 2.67Å; R98-D147 PolarHBondContact NH2-OD2 3.28Å
148	H	98.4	Very high	97.4	Very high	25 Å²	25	22.6 Å²	22.6	12%	0.116	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.8	-176.8	69.4	-76.2	0	0	0	114.3	R98 I99 D145 R229	R98-H148 HydrophobicContact CG-CB 3.78Å; R98-H148 VanDerWaalsContact NE-CG 3.29Å; R98-H148 PolarHBondContact NE-ND1 3.18Å; I99-H148 CarbonylContact O-C 3.22Å; I99-H148 VanDerWaalsContact O-CA 3.31Å; I99-H148 WeakPolarHBondContact O-CA 3.42Å; I99-H148 WeakPolarHBondContact O-CB 3.38Å; D145-H148 CarbonylContact C-O 3.55Å; D145-H148 WeakPolarHBondContact CA-O 3.34Å; D145-H148 WeakPolarHBondContact CB-O 3.22Å; D145-H148 PolarHBondContact N-O 2.99Å; D145-H148 IonicContact OD2-CD2 2.89Å; D145-H148 IonicContact OD2-CE1 3.83Å; D145-H148 IonicContact OD2-NE2 3.86Å; D145-H148 PolarHBondContact OD2-NE2 3.43Å; H148-R229 PolarHBondContact NE2-NH2 2.79Å; H148-R229 VanDerWaalsContact NE2-NH2 3.17Å
149	L	98.7	Very high	97.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.1	157.5	-55.7	176.6	0	0	0	108.2	R98 I99 R104 V108 I116 V142 T143 K144	R98-L149 WeakPolarHBondContact CA-O 3.49Å; I99-L149 HydrophobicContact CB-CB 4.41Å; I99-L149 PolarHBondContact N-O 2.89Å; I99-L149 PolarHBondContact O-N 3.04Å; R104-L149 HydrophobicContact CB-CD1 4.37Å; R104-L149 HydrophobicContact CB-CG 4.42Å; R104-L149 HydrophobicContact CG-CD1 4.45Å; R104-L149 HydrophobicContact CG-CG 4.2Å; R104-L149 WeakPolarHBondContact O-CD1 3.42Å; V108-L149 HydrophobicContact CB-CD1 3.94Å; V108-L149 HydrophobicContact CG2-CD1 3.57Å; I116-L149 HydrophobicContact CG2-CD1 3.82Å; I116-L149 HydrophobicContact CG2-CD2 4.02Å; V142-L149 HydrophobicContact CG1-CB 4.35Å; V142-L149 HydrophobicContact CG1-CD1 4.47Å; T143-L149 CarbonylContact O-C 3.58Å; T143-L149 VanDerWaalsContact O-CA 3.29Å; T143-L149 WeakPolarHBondContact O-CA 3.28Å; K144-L149 HydrophobicContact CB-CD2 3.89Å; K144-L149 HydrophobicContact CG-CD2 3.81Å
150	F	98.4	Very high	97.2	Very high	18 Å²	18	29.1 Å²	29.1	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.2	175	174.6	-100.4	0	0	0	109.9	Q96 T143 V152	Q96-F150 HydrophobicContact CB-CE2 4.24Å; Q96-F150 HydrophobicContact CB-CZ 4.46Å; Q96-F150 HydrophobicContact CG-CE2 4.24Å; Q96-F150 HydrophobicContact CG-CZ 3.98Å; T143-F150 PolarHBondContact N-O 2.68Å; T143-F150 PolarHBondContact O-N 3.32Å; F150-V152 HydrophobicContact CD1-CG2 4.39Å; F150-V152 HydrophobicContact CE1-CG2 3.54Å; F150-V152 HydrophobicContact CZ-CG2 3.86Å
151	I	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.7	-175	-63.5	-172.1	0	0	0	110.9	Q96 T97 I99 V108 L140 I141 V142	Q96-I151 WeakPolarHBondContact CA-O 3.44Å; T97-I151 PolarHBondContact N-O 3.14Å; T97-I151 PolarHBondContact O-N 2.69Å; I99-I151 HydrophobicContact CD1-CD1 3.58Å; I99-I151 HydrophobicContact CG1-CD1 4.44Å; V108-I151 HydrophobicContact CG1-CD1 4.29Å; V108-I151 HydrophobicContact CG2-CD1 4.14Å; L140-I151 HydrophobicContact CB-CG2 4.27Å; L140-I151 HydrophobicContact CD1-CD1 4.16Å; L140-I151 HydrophobicContact CD1-CG2 3.58Å; I141-I151 WeakPolarHBondContact O-CA 3.49Å; V142-I151 HydrophobicContact CB-CG1 4.34Å; V142-I151 HydrophobicContact CG1-CD1 4.39Å; V142-I151 HydrophobicContact CG1-CG1 4.1Å; V142-I151 HydrophobicContact CG2-CD1 3.96Å; V142-I151 HydrophobicContact CG2-CG1 3.99Å
152	V	98.5	Very high	97.2	Very high	19 Å²	19	30.6 Å²	30.6	12%	0.115	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.9	166.7	-172.6	0	0	0	0	109.8	M94 L95 Q96 L140 I141 F150	M94-V152 HydrophobicContact CB-CG1 3.93Å; M94-V152 HydrophobicContact CE-CG1 4.27Å; L95-V152 VanDerWaalsContact O-CA 3.28Å; L95-V152 WeakPolarHBondContact O-CA 3.49Å; Q96-V152 HydrophobicContact CG-CG2 4.41Å; L140-V152 VanDerWaalsContact CA-O 3.28Å; L140-V152 WeakPolarHBondContact CA-O 3.27Å; L140-V152 WeakPolarHBondContact CB-O 3.4Å; I141-V152 PolarHBondContact N-O 3.22Å; I141-V152 PolarHBondContact O-N 3.16Å; F150-V152 HydrophobicContact CD1-CG2 4.39Å; F150-V152 HydrophobicContact CE1-CG2 3.54Å; F150-V152 HydrophobicContact CZ-CG2 3.86Å
153	S	98	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	171.4	177.9	80.6	0	0	0	0	112.5	M94 L95 D138 D161	M94-S153 WeakPolarHBondContact CE-O 3.41Å; L95-S153 PolarHBondContact N-O 3.04Å; L95-S153 PolarHBondContact O-N 3.05Å; D138-S153 WeakPolarHBondContact OD2-CB 3.46Å; S153-D161 WeakPolarHBondContact CB-OD2 3.29Å; S153-D161 PolarHBondContact OG-OD2 3.34Å
154	N	97.2	Very high	97.1	Very high	26 Å²	26	39.3 Å²	39.3	14%	0.139	21%	0.207	C	C	.	.			trans	-69.3	141.6	-162	-76.4	-63.6	0	0	0	114.8	D138 D139 G156 C157 I158	D138-N154 VanDerWaalsContact CG-ND2 3.35Å; D138-N154 PolarHBondContact OD1-ND2 2.87Å; D138-N154 WeakPolarHBondContact OD2-CB 3.28Å; D138-N154 PolarHBondContact OD2-N 3.44Å; D138-N154 PolarHBondContact OD2-ND2 3.03Å; D139-N154 PolarHBondContact O-ND2 2.96Å; D139-N154 PolarHBondContact OD1-ND2 2.95Å; N154-G156 PolarHBondContact O-N 2.99Å; N154-C157 HydrophobicContact CB-CB 4.07Å; N154-C157 WeakPolarHBondContact O-CA 3.31Å; N154-C157 WeakPolarHBondContact O-CB 3.48Å; N154-C157 PolarHBondContact O-N 3.42Å; N154-I158 PolarHBondContact O-N 2.92Å
155	A	94.5	Very high	97.1	Very high	6 Å²	6	37.7 Å²	37.7	5%	0.05	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.9	175.5	0	0	0	0	0	114	C62 H93 M94 C157 I158	C62-A155 HydrophobicContact CB-CB 4.45Å; H93-A155 HydrophobicContact CB-CB 4.16Å; H93-A155 WeakPolarHBondContact CD2-CB 3.44Å; H93-A155 WeakPolarHBondContact O-CA 3.38Å; H93-A155 WeakPolarHBondContact O-CB 3.38Å; M94-A155 HydrophobicContact SD-CB 4.23Å; A155-C157 PolarHBondContact O-N 3.18Å; A155-I158 WeakPolarHBondContact O-CD1 3.28Å; A155-I158 VanDerWaalsContact O-CG1 3.29Å; A155-I158 WeakPolarHBondContact O-CG1 3.33Å
156	G	93.4	Very high	97.2	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.4	173.4	0	0	0	0	0	114.3	C62 N154	C62-G156 VanDerWaalsContact SG-CA 3.59Å; N154-G156 PolarHBondContact O-N 2.99Å
157	C	96.5	Very high	97.3	Very high	6 Å²	6	43 Å²	43	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-11.7	-171.1	-61.5	0	0	0	0	113.1	D138 N154 A155 E159 K160 D161 Y286	D138-C157 HydrophobicContact CB-CB 4.36Å; D138-C157 VanDerWaalsContact CG-SG 3.6Å; D138-C157 PolarHBondContact OD1-SG 2.93Å; N154-C157 HydrophobicContact CB-CB 4.07Å; N154-C157 WeakPolarHBondContact O-CA 3.31Å; N154-C157 WeakPolarHBondContact O-CB 3.48Å; N154-C157 PolarHBondContact O-N 3.42Å; A155-C157 PolarHBondContact O-N 3.18Å; C157-E159 PolarHBondContact O-N 3.01Å; C157-K160 WeakPolarHBondContact O-CA 3.34Å; C157-K160 WeakPolarHBondContact O-CB 3.48Å; C157-K160 PolarHBondContact O-N 3.02Å; C157-K160 PolarHBondContact SG-NZ 3.47Å; C157-D161 VanDerWaalsContact CB-OD2 3.28Å; C157-D161 WeakPolarHBondContact CB-OD2 3.46Å; C157-D161 PolarHBondContact O-N 3.07Å; C157-Y286 WeakPolarHBondContact SG-CD1 3.41Å
158	I	95.6	Very high	97.4	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-29.5	-62.4	-177.8	-63.3	167.2	0	0	0	114.2	W64 L95 N154 A155 K162	W64-I158 HydrophobicContact CZ2-CD1 4.22Å; L95-I158 HydrophobicContact CB-CG1 4.2Å; L95-I158 HydrophobicContact CD1-CG2 4.43Å; N154-I158 PolarHBondContact O-N 2.92Å; A155-I158 WeakPolarHBondContact O-CD1 3.28Å; A155-I158 VanDerWaalsContact O-CG1 3.29Å; A155-I158 WeakPolarHBondContact O-CG1 3.33Å; I158-K162 HydrophobicContact CG2-CD 4.1Å; I158-K162 VanDerWaalsContact CG2-CE 3.45Å; I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 WeakPolarHBondContact O-CG 3.45Å; I158-K162 PolarHBondContact O-N 2.93Å
159	E	96.1	Very high	97.4	Very high	101 Å²	101	39 Å²	39	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-76.2	-32.2	-169.9	-42.2	-58	172.8	0	0	111.8	K43 C157 K162 E163	K43-E159 IonicContact NZ-OE1 2.83Å; K43-E159 PolarHBondContact NZ-OE1 3.33Å; K43-E159 VanDerWaalsContact NZ-OE1 3.09Å; C157-E159 PolarHBondContact O-N 3.01Å; E159-K162 IonicContact OE1-NZ 2.71Å; E159-K162 WeakPolarHBondContact OE2-CD 3.45Å; E159-K162 IonicContact OE2-NZ 3.55Å; E159-K162 PolarHBondContact OE2-NZ 3.07Å; E159-E163 WeakPolarHBondContact O-CB 3.37Å; E159-E163 PolarHBondContact O-N 3.41Å
160	K	97.2	Very high	97.4	Very high	59 Å²	59	41.6 Å²	41.6	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-42.1	172.9	173.6	-160.5	71.3	-170.4	0	111.4	K137 C157 E163 H164	K137-K160 WeakPolarHBondContact O-CE 3.32Å; K137-K160 PolarHBondContact O-NZ 2.89Å; C157-K160 WeakPolarHBondContact O-CA 3.34Å; C157-K160 WeakPolarHBondContact O-CB 3.48Å; C157-K160 PolarHBondContact O-N 3.02Å; C157-K160 PolarHBondContact SG-NZ 3.47Å; K160-E163 PolarHBondContact O-N 3.49Å; K160-H164 VanDerWaalsContact O-CB 3.28Å; K160-H164 WeakPolarHBondContact O-CB 3.49Å; K160-H164 PolarHBondContact O-N 2.86Å
161	D	98.3	Very high	97.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-72.1	-40.9	-178.8	-63.5	-6.8	0	0	0	111	L95 S153 C157 H164 L165	L95-D161 HydrophobicContact CD2-CB 3.96Å; S153-D161 WeakPolarHBondContact CB-OD2 3.29Å; S153-D161 PolarHBondContact OG-OD2 3.34Å; C157-D161 VanDerWaalsContact CB-OD2 3.28Å; C157-D161 WeakPolarHBondContact CB-OD2 3.46Å; C157-D161 PolarHBondContact O-N 3.07Å; D161-H164 PolarHBondContact O-N 2.9Å; D161-L165 VanDerWaalsContact O-CB 3.26Å; D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 VanDerWaalsContact O-CG 3.31Å; D161-L165 WeakPolarHBondContact O-CG 3.22Å; D161-L165 PolarHBondContact O-N 2.8Å
162	K	98.1	Very high	97.4	Very high	66 Å²	66	45 Å²	45	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-57.3	-46.9	169.8	-75.5	172	-175.8	169	0	111.8	L95 I158 E159 K166	L95-K162 HydrophobicContact CD1-CG 4.48Å; L95-K162 HydrophobicContact CD2-CG 4.17Å; I158-K162 HydrophobicContact CG2-CD 4.1Å; I158-K162 VanDerWaalsContact CG2-CE 3.45Å; I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 WeakPolarHBondContact O-CG 3.45Å; I158-K162 PolarHBondContact O-N 2.93Å; E159-K162 IonicContact OE1-NZ 2.71Å; E159-K162 WeakPolarHBondContact OE2-CD 3.45Å; E159-K162 IonicContact OE2-NZ 3.55Å; E159-K162 PolarHBondContact OE2-NZ 3.07Å; K162-K166 WeakPolarHBondContact O-CB 3.35Å; K162-K166 PolarHBondContact O-N 3.37Å
163	E	98	Very high	97.4	Very high	147 Å²	147	51.1 Å²	51.1	69%	0.687	25%	0.249	S	C	*	.	H	α-helix	trans	-63.5	-46	178.4	-177.6	170.2	-143.8	0	0	111.3	E159 K160 K166 H167	E159-E163 WeakPolarHBondContact O-CB 3.37Å; E159-E163 PolarHBondContact O-N 3.41Å; K160-E163 PolarHBondContact O-N 3.49Å; E163-K166 PolarHBondContact O-N 3.41Å; E163-H167 VanDerWaalsContact O-CB 3.3Å; E163-H167 WeakPolarHBondContact O-CB 3.36Å; E163-H167 PolarHBondContact O-N 3.05Å
164	H	97.9	Very high	97.4	Very high	39 Å²	39	58.3 Å²	58.3	18%	0.181	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-50.7	177.4	-179.7	43.9	0	0	0	112.4	K160 D161 H167 A168	K160-H164 VanDerWaalsContact O-CB 3.28Å; K160-H164 WeakPolarHBondContact O-CB 3.49Å; K160-H164 PolarHBondContact O-N 2.86Å; D161-H164 PolarHBondContact O-N 2.9Å; H164-H167 PolarHBondContact O-N 2.89Å; H164-A168 WeakPolarHBondContact O-CB 3.41Å; H164-A168 PolarHBondContact O-N 3.35Å
165	L	98.5	Very high	97.4	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-40.5	178.3	-74.7	165.6	0	0	0	112	T97 I99 F107 L111 F129 D161 C169 V181	T97-L165 HydrophobicContact CG2-CD1 4.22Å; I99-L165 HydrophobicContact CD1-CD2 4.14Å; F107-L165 HydrophobicContact CE1-CD2 4Å; F107-L165 HydrophobicContact CZ-CD2 4.38Å; L111-L165 HydrophobicContact CD1-CD2 3.83Å; F129-L165 HydrophobicContact CE1-CD2 4.17Å; F129-L165 HydrophobicContact CZ-CD1 4.19Å; F129-L165 HydrophobicContact CZ-CD2 3.85Å; F129-L165 HydrophobicContact CZ-CG 4.11Å; D161-L165 VanDerWaalsContact O-CB 3.26Å; D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 VanDerWaalsContact O-CG 3.31Å; D161-L165 WeakPolarHBondContact O-CG 3.22Å; D161-L165 PolarHBondContact O-N 2.8Å; L165-C169 WeakPolarHBondContact O-CB 3.31Å; L165-C169 PolarHBondContact O-N 2.79Å; L165-V181 HydrophobicContact CB-CG1 4.2Å
166	K	98.1	Very high	97.6	Very high	117 Å²	117	68.3 Å²	68.3	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-50.4	175.4	172.9	163.5	170.8	46.2	0	111.3	K162 E163 A168 C169 D170	K162-K166 WeakPolarHBondContact O-CB 3.35Å; K162-K166 PolarHBondContact O-N 3.37Å; E163-K166 PolarHBondContact O-N 3.41Å; K166-A168 VanDerWaalsContact C-N 3.33Å; K166-A168 PolarHBondContact O-N 2.72Å; K166-C169 PolarHBondContact O-N 2.91Å; K166-D170 IonicContact NZ-OD1 3.72Å; K166-D170 PolarHBondContact NZ-OD1 3.29Å; K166-D170 IonicContact NZ-OD2 3.23Å; K166-D170 PolarHBondContact NZ-OD2 3.44Å; K166-D170 VanDerWaalsContact O-CG 3.27Å; K166-D170 PolarHBondContact O-N 3Å
167	H	98	Very high	97.8	Very high	125 Å²	125	70.6 Å²	70.6	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-59.1	-45.7	-179.7	179.7	-82.7	0	0	0	111.3	E163 H164 E171	E163-H167 VanDerWaalsContact O-CB 3.3Å; E163-H167 WeakPolarHBondContact O-CB 3.36Å; E163-H167 PolarHBondContact O-N 3.05Å; H164-H167 PolarHBondContact O-N 2.89Å; H167-E171 WeakPolarHBondContact O-CB 3.26Å; H167-E171 PolarHBondContact O-N 3.46Å
168	A	98.2	Very high	97.9	Very high	10 Å²	10	74.3 Å²	74.3	8%	0.083	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-44.6	175.2	0	0	0	0	0	112	F107 L111 H164 K166 E171 W172	F107-A168 HydrophobicContact CE2-CB 3.61Å; F107-A168 HydrophobicContact CZ-CB 3.78Å; L111-A168 HydrophobicContact CD1-CB 4Å; L111-A168 HydrophobicContact CD2-CB 3.88Å; L111-A168 HydrophobicContact CG-CB 4.5Å; H164-A168 WeakPolarHBondContact O-CB 3.41Å; H164-A168 PolarHBondContact O-N 3.35Å; K166-A168 VanDerWaalsContact C-N 3.33Å; K166-A168 PolarHBondContact O-N 2.72Å; A168-E171 PolarHBondContact O-N 3.28Å; A168-W172 VanDerWaalsContact O-CD1 3.27Å; A168-W172 PolarHBondContact O-N 2.97Å
169	C	98.5	Very high	98.1	Very high	8 Å²	8	73.8 Å²	73.8	5%	0.054	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-45.6	179.4	-179.5	0	0	0	0	111.7	F107 L165 K166 E171 W172 R173 V181	F107-C169 HydrophobicContact CE2-CB 4.29Å; F107-C169 HydrophobicContact CZ-CB 4.07Å; L165-C169 WeakPolarHBondContact O-CB 3.31Å; L165-C169 PolarHBondContact O-N 2.79Å; K166-C169 PolarHBondContact O-N 2.91Å; C169-E171 VanDerWaalsContact C-N 3.31Å; C169-E171 PolarHBondContact O-N 3.49Å; C169-W172 PolarHBondContact O-N 3.07Å; C169-R173 WeakPolarHBondContact O-CB 3.49Å; C169-R173 VanDerWaalsContact O-CG 3.28Å; C169-R173 WeakPolarHBondContact O-CG 3.36Å; C169-R173 PolarHBondContact O-N 2.9Å; C169-V181 HydrophobicContact CB-CB 4.48Å; C169-V181 HydrophobicContact CB-CG2 3.79Å
170	D	98.4	Very high	98.2	Very high	57 Å²	57	71.6 Å²	71.6	31%	0.305	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-42	175.1	-66.3	-26.7	0	0	0	111.1	K166 K174	K166-D170 IonicContact NZ-OD1 3.72Å; K166-D170 PolarHBondContact NZ-OD1 3.29Å; K166-D170 IonicContact NZ-OD2 3.23Å; K166-D170 PolarHBondContact NZ-OD2 3.44Å; K166-D170 VanDerWaalsContact O-CG 3.27Å; K166-D170 PolarHBondContact O-N 3Å; D170-K174 VanDerWaalsContact O-CG 3.25Å; D170-K174 WeakPolarHBondContact O-CG 3.25Å; D170-K174 PolarHBondContact O-N 2.97Å
171	E	98.3	Very high	98.3	Very high	48 Å²	48	70.2 Å²	70.2	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-38.6	176.5	-84.1	-59.6	118.4	0	0	114.1	H167 A168 C169 K174 R175	H167-E171 WeakPolarHBondContact O-CB 3.26Å; H167-E171 PolarHBondContact O-N 3.46Å; A168-E171 PolarHBondContact O-N 3.28Å; C169-E171 VanDerWaalsContact C-N 3.31Å; C169-E171 PolarHBondContact O-N 3.49Å; E171-K174 WeakPolarHBondContact OE1-CD 3.48Å; E171-K174 WeakPolarHBondContact OE1-CE 3.14Å; E171-K174 IonicContact OE1-NZ 2.81Å; E171-K174 PolarHBondContact OE1-NZ 2.79Å; E171-R175 WeakPolarHBondContact O-CD 3.47Å; E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-NE 2.94Å; E171-R175 IonicContact OE2-CZ 2.66Å; E171-R175 IonicContact OE2-NE 2.84Å; E171-R175 IonicContact OE2-NH2 3.75Å; E171-R175 PolarHBondContact OE2-NH2 2.86Å
172	W	98.3	Very high	98.2	Very high	41 Å²	41	74 Å²	74	16%	0.155	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-45.2	174.5	-87.9	67.8	0	0	0	111.3	D103 A106 F107 S110 A168 C169 K174 R175 R177 V179	D103-W172 HydrophobicContact CB-CE3 4.17Å; D103-W172 HydrophobicContact CB-CZ3 3.99Å; A106-W172 HydrophobicContact CB-CH2 3.74Å; A106-W172 HydrophobicContact CB-CZ3 4.1Å; F107-W172 HydrophobicContact CB-CD2 4.42Å; F107-W172 HydrophobicContact CB-CE3 4.38Å; F107-W172 HydrophobicContact CD2-CB 4.28Å; F107-W172 AromaticContact CD2-CD1 3.66Å; F107-W172 AromaticContact CD2-CD2 3.85Å; F107-W172 HydrophobicContact CD2-CD2 3.85Å; F107-W172 AromaticContact CD2-CG 3.68Å; F107-W172 HydrophobicContact CD2-CG 3.68Å; F107-W172 AromaticContact CD2-NE1 3.81Å; F107-W172 AromaticContact CE2-CD1 3.91Å; F107-W172 HydrophobicContact CE2-CG 4.18Å; S110-W172 WeakPolarHBondContact OG-CZ2 3.5Å; S110-W172 PolarHBondContact OG-NE1 2.86Å; A168-W172 VanDerWaalsContact O-CD1 3.27Å; A168-W172 PolarHBondContact O-N 2.97Å; C169-W172 PolarHBondContact O-N 3.07Å; W172-K174 PolarHBondContact O-N 3.03Å; W172-R175 WeakPolarHBondContact O-CA 3.38Å; W172-R175 WeakPolarHBondContact O-CB 3.35Å; W172-R175 PolarHBondContact O-N 3.4Å; W172-R177 HydrophobicContact CB-CB 4.25Å; W172-R177 HydrophobicContact CD2-CB 4.49Å; W172-R177 HydrophobicContact CE3-CB 3.67Å; W172-R177 HydrophobicContact CE3-CG 3.76Å; W172-R177 HydrophobicContact CZ3-CB 4.43Å; W172-R177 HydrophobicContact CZ3-CG 4.27Å; W172-R177 WeakPolarHBondContact O-CB 3.48Å; W172-R177 PolarHBondContact O-N 3.32Å; W172-V179 HydrophobicContact CB-CG1 3.77Å
173	R	98.4	Very high	98.2	Very high	147 Å²	147	74 Å²	74	56%	0.555	35%	0.353	S	S	*	.	H	α-helix	trans	-65.8	-35	-179.8	-67.9	178.2	75.3	-168.7	2.8	112.9	C169 R175 G176 V179	C169-R173 WeakPolarHBondContact O-CB 3.49Å; C169-R173 VanDerWaalsContact O-CG 3.28Å; C169-R173 WeakPolarHBondContact O-CG 3.36Å; C169-R173 PolarHBondContact O-N 2.9Å; R173-R175 PolarHBondContact O-N 2.98Å; R173-G176 PolarHBondContact O-N 3.22Å; R173-V179 VanDerWaalsContact CD-O 3.3Å; R173-V179 WeakPolarHBondContact CD-O 3.3Å; R173-V179 HydrophobicContact CG-CG1 4.2Å
174	K	98.1	Very high	97.9	Very high	152 Å²	152	69.2 Å²	69.2	66%	0.661	34%	0.335	S	S	*	.	H	α-helix	trans	-57.4	-26.2	169.9	-75.3	170.1	-160	172.9	0	113.3	D170 E171 W172 G176	D170-K174 VanDerWaalsContact O-CG 3.25Å; D170-K174 WeakPolarHBondContact O-CG 3.25Å; D170-K174 PolarHBondContact O-N 2.97Å; E171-K174 WeakPolarHBondContact OE1-CD 3.48Å; E171-K174 WeakPolarHBondContact OE1-CE 3.14Å; E171-K174 IonicContact OE1-NZ 2.81Å; E171-K174 PolarHBondContact OE1-NZ 2.79Å; W172-K174 PolarHBondContact O-N 3.03Å; K174-G176 VanDerWaalsContact C-N 3.32Å
175	R	97.9	Very high	97.5	Very high	171 Å²	171	72.3 Å²	72.3	65%	0.645	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	15.6	179.7	-58	166.8	-158.1	-165.6	2.8	112.4	E171 W172 R173 R177	E171-R175 WeakPolarHBondContact O-CD 3.47Å; E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-NE 2.94Å; E171-R175 IonicContact OE2-CZ 2.66Å; E171-R175 IonicContact OE2-NE 2.84Å; E171-R175 IonicContact OE2-NH2 3.75Å; E171-R175 PolarHBondContact OE2-NH2 2.86Å; W172-R175 WeakPolarHBondContact O-CA 3.38Å; W172-R175 WeakPolarHBondContact O-CB 3.35Å; W172-R175 PolarHBondContact O-N 3.4Å; R173-R175 PolarHBondContact O-N 2.98Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 HydrophobicContact CB-CG 4.38Å; R175-R177 PolarHBondContact O-N 2.82Å
176	G	98.1	Very high	97.1	Very high	72 Å²	72	77.8 Å²	77.8	74%	0.742	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	17.3	179.2	0	0	0	0	0	114.7	R173 K174	R173-G176 PolarHBondContact O-N 3.22Å; K174-G176 VanDerWaalsContact C-N 3.32Å
177	R	98.5	Very high	97.1	Very high	102 Å²	102	75 Å²	75	39%	0.385	38%	0.375	S	S	.	.			trans	-87.5	141.9	180	-55.6	-55.9	-68.4	-100.7	3.6	111.6	D103 W172 R175 V179	D103-R177 HydrophobicContact CB-CB 4.4Å; D103-R177 IonicContact OD1-CZ 2.74Å; D103-R177 IonicContact OD1-NE 2.67Å; D103-R177 PolarHBondContact OD1-NE 2.83Å; D103-R177 IonicContact OD1-NH2 3.66Å; D103-R177 PolarHBondContact OD1-NH2 3.14Å; D103-R177 VanDerWaalsContact OD2-CA 3.24Å; D103-R177 WeakPolarHBondContact OD2-CA 3.16Å; D103-R177 WeakPolarHBondContact OD2-CB 3.2Å; D103-R177 IonicContact OD2-CZ 3.61Å; D103-R177 IonicContact OD2-NE 3.64Å; D103-R177 PolarHBondContact OD2-NE 3.39Å; D103-R177 IonicContact OD2-NH2 3.73Å; W172-R177 HydrophobicContact CB-CB 4.25Å; W172-R177 HydrophobicContact CD2-CB 4.49Å; W172-R177 HydrophobicContact CE3-CB 3.67Å; W172-R177 HydrophobicContact CE3-CG 3.76Å; W172-R177 HydrophobicContact CZ3-CB 4.43Å; W172-R177 HydrophobicContact CZ3-CG 4.27Å; W172-R177 WeakPolarHBondContact O-CB 3.48Å; W172-R177 PolarHBondContact O-N 3.32Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 HydrophobicContact CB-CG 4.38Å; R175-R177 PolarHBondContact O-N 2.82Å; R177-V179 PolarHBondContact O-N 2.89Å
178	D	98.4	Very high	97.1	Very high	85 Å²	85	69.1 Å²	69.1	46%	0.455	35%	0.347	S	S	.	.			trans	-93.2	91.4	-178.5	178.4	37.3	0	0	0	110.8	G101 A102 D103	G101-D178 CarbonylContact C-O 3.55Å; G101-D178 VanDerWaalsContact C-O 3.31Å; G101-D178 WeakPolarHBondContact CA-O 3.22Å; G101-D178 WeakPolarHBondContact CA-OD2 3.22Å; A102-D178 HydrophobicContact CB-CB 4.26Å; A102-D178 PolarHBondContact N-O 3.18Å; A102-D178 PolarHBondContact N-OD2 2.77Å; D103-D178 WeakPolarHBondContact CB-O 3.36Å; D103-D178 PolarHBondContact N-O 2.87Å; D103-D178 PolarHBondContact OD2-N 2.77Å
179	V	98.6	Very high	97.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.			trans	-137.8	139	171.4	61.7	0	0	0	0	110.4	I99 S100 F107 W172 R173 R177	I99-V179 HydrophobicContact CG2-CG2 3.71Å; S100-V179 WeakPolarHBondContact O-CA 3.24Å; F107-V179 HydrophobicContact CB-CB 4.49Å; F107-V179 HydrophobicContact CB-CG2 4Å; F107-V179 HydrophobicContact CD1-CG2 3.83Å; F107-V179 HydrophobicContact CD2-CG1 4.16Å; F107-V179 HydrophobicContact CD2-CG2 4.23Å; F107-V179 HydrophobicContact CE1-CG2 4.37Å; F107-V179 HydrophobicContact CG-CB 4.47Å; F107-V179 HydrophobicContact CG-CG1 4.45Å; F107-V179 HydrophobicContact CG-CG2 3.74Å; W172-V179 HydrophobicContact CB-CG1 3.77Å; R173-V179 VanDerWaalsContact CD-O 3.3Å; R173-V179 WeakPolarHBondContact CD-O 3.3Å; R173-V179 HydrophobicContact CG-CG1 4.2Å; R177-V179 PolarHBondContact O-N 2.89Å
180	V	98.4	Very high	97.1	Very high	55 Å²	55	68.5 Å²	68.5	33%	0.333	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	172.2	-176.1	0	0	0	0	108.2	I99 S100 E182	I99-V180 VanDerWaalsContact CA-O 3.3Å; I99-V180 WeakPolarHBondContact CA-O 3.43Å; S100-V180 PolarHBondContact N-O 3.31Å; S100-V180 PolarHBondContact O-N 3.32Å; V180-E182 HydrophobicContact CG1-CG 3.98Å
181	V	98.6	Very high	97.1	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.6	174.1	177.8	0	0	0	0	108	T97 I99 F107 L165 C169	T97-V181 HydrophobicContact CG2-CG1 3.75Å; I99-V181 HydrophobicContact CD1-CG2 4.45Å; I99-V181 HydrophobicContact CG1-CG2 4.25Å; I99-V181 HydrophobicContact CG2-CG2 4.43Å; F107-V181 HydrophobicContact CE1-CG2 3.88Å; F107-V181 HydrophobicContact CZ-CG2 4.15Å; L165-V181 HydrophobicContact CB-CG1 4.2Å; C169-V181 HydrophobicContact CB-CB 4.48Å; C169-V181 HydrophobicContact CB-CG2 3.79Å
182	E	98	Very high	97.1	Very high	82 Å²	82	63.5 Å²	63.5	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.1	178.3	-47.3	-177.2	89.8	0	0	109.5	T97 R98 V180 P184	T97-E182 CarbonylContact C-O 3.36Å; T97-E182 WeakPolarHBondContact CA-O 3.32Å; T97-E182 WeakPolarHBondContact CG2-O 3.29Å; R98-E182 HydrophobicContact CB-CB 4.3Å; R98-E182 WeakPolarHBondContact CD-OE2 3.48Å; R98-E182 IonicContact CZ-OE2 2.7Å; R98-E182 PolarHBondContact N-O 2.97Å; R98-E182 IonicContact NH1-OE2 3.43Å; R98-E182 PolarHBondContact NH1-OE2 3.43Å; R98-E182 VanDerWaalsContact NH1-OE2 3.09Å; R98-E182 PolarHBondContact O-N 3.25Å; V180-E182 HydrophobicContact CG1-CG 3.98Å; E182-P184 WeakPolarHBondContact O-CD 3.41Å
183	H	96.7	Very high	97.2	Very high	64 Å²	64	61.6 Å²	61.6	30%	0.296	31%	0.31	S	S	.	.			trans	-114.9	95.4	170.4	-54.5	-69	0	0	0	107.8	L95 T97 P185	L95-H183 HydrophobicContact CD1-CB 4.47Å; T97-H183 PolarHBondContact OG1-CE1 3.42Å; T97-H183 PolarHBondContact OG1-ND1 3.02Å; H183-P185 WeakPolarHBondContact O-CD 3.36Å
184	P	92.9	Very high	97.2	Very high	48 Å²	48	54.6 Å²	54.6	31%	0.312	28%	0.284	S	S	.	.			trans	-57.2	120.8	-171.2	-28.6	36.8	0	0	0	112.2	Q96 R98 E182 R187	Q96-P184 WeakPolarHBondContact O-CD 3.1Å; R98-P184 HydrophobicContact CB-CG 4.28Å; E182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-R187 HydrophobicContact CB-CG 4.02Å
185	P	88.9	Confident	97.1	Very high	104 Å²	104	50 Å²	50	68%	0.675	27%	0.269	S	S	*	.	S	Bend	trans	-69.2	164.8	175.7	31	-35.5	0	0	0	110.5	H183 R187	H183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-R187 VanDerWaalsContact C-N 3.3Å; P185-R187 PolarHBondContact O-N 3.37Å
186	N	90.8	Very high	97	Very high	116 Å²	116	43.9 Å²	43.9	62%	0.62	25%	0.248	S	C	*	.	S	Bend	trans	54.9	40	169.9	-53.3	-19.5	0	0	0	114.3	S247	N186-S247 PolarHBondContact O-N 3.17Å; N186-S247 PolarHBondContact O-OG 2.91Å
187	R	96.6	Very high	97	Very high	59 Å²	59	40.4 Å²	40.4	22%	0.223	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.6	169.4	-60.1	-60.1	-67.2	-168.4	-6.4	111.2	Q96 P184 P185 N227 S244 V245 S247	Q96-R187 VanDerWaalsContact NE2-CB 3.26Å; P184-R187 HydrophobicContact CB-CG 4.02Å; P185-R187 VanDerWaalsContact C-N 3.3Å; P185-R187 PolarHBondContact O-N 3.37Å; R187-N227 PolarHBondContact NH2-O 2.95Å; R187-S244 PolarHBondContact NE-OG 3.43Å; R187-S244 VanDerWaalsContact NH2-C 3.3Å; R187-S244 PolarHBondContact NH2-O 3.43Å; R187-S244 PolarHBondContact NH2-OG 2.65Å; R187-V245 CarbonylContact C-O 3.31Å; R187-V245 WeakPolarHBondContact CA-O 3.39Å; R187-V245 VanDerWaalsContact CZ-C 3.41Å; R187-V245 PolarHBondContact NE-O 2.89Å; R187-S247 VanDerWaalsContact C-OG 3.28Å; R187-S247 PolarHBondContact N-OG 3.38Å
188	A	98	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	162	166.9	0	0	0	0	0	110.2	P46 S92 S244 V245 A250	P46-A188 HydrophobicContact CG-CB 4.21Å; S92-A188 WeakPolarHBondContact OG-CA 3.46Å; S92-A188 WeakPolarHBondContact OG-CB 3.38Å; A188-S244 WeakPolarHBondContact O-CA 3.27Å; A188-V245 HydrophobicContact CB-CG1 3.92Å; A188-V245 PolarHBondContact N-O 2.77Å; A188-V245 PolarHBondContact O-N 3.15Å; A188-A250 HydrophobicContact CB-CB 3.5Å
189	V	98.6	Very high	96.8	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	123.3	173	-168	0	0	0	0	110	V91 S92 Q96 E242 I243	V91-V189 CarbonylContact C-O 3.59Å; V91-V189 HydrophobicContact CG2-CB 3.86Å; V91-V189 HydrophobicContact CG2-CG1 3.65Å; V91-V189 WeakPolarHBondContact CG2-O 3.24Å; V91-V189 PolarHBondContact N-O 3.38Å; S92-V189 PolarHBondContact N-O 3.37Å; S92-V189 PolarHBondContact OG-N 3.23Å; S92-V189 PolarHBondContact OG-O 3.14Å; Q96-V189 VanDerWaalsContact CD-CG2 3.48Å; Q96-V189 HydrophobicContact CG-CG2 4.27Å; V189-E242 HydrophobicContact CG1-CB 4.14Å; V189-I243 WeakPolarHBondContact CA-O 3.38Å
190	L	98.8	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123	171.8	-75.4	179.8	0	0	0	109.9	L47 I88 D90 E242 I243 L253 C254 L257	L47-L190 HydrophobicContact CD1-CD1 4.48Å; L47-L190 HydrophobicContact CD1-CD2 3.42Å; L47-L190 VanDerWaalsContact CD1-CD2 3.42Å; L47-L190 HydrophobicContact CD1-CG 4.15Å; I88-L190 HydrophobicContact CG2-CB 4.44Å; I88-L190 HydrophobicContact CG2-CD1 4.47Å; I88-L190 HydrophobicContact CG2-CD2 3.75Å; I88-L190 HydrophobicContact CG2-CG 4.45Å; D90-L190 HydrophobicContact CB-CD2 4.39Å; L190-E242 WeakPolarHBondContact O-CA 3.26Å; L190-I243 PolarHBondContact N-O 3.14Å; L190-I243 PolarHBondContact O-N 3.12Å; L190-L253 HydrophobicContact CD1-CB 4.25Å; L190-L253 HydrophobicContact CD1-CD2 4.06Å; L190-L253 HydrophobicContact CD1-CG 3.96Å; L190-C254 HydrophobicContact CD1-CB 3.8Å; L190-L257 HydrophobicContact CD1-CD1 4.16Å
191	A	98.9	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.9	172.6	0	0	0	0	0	109.4	I88 F89 V91 Q193 V241 E242	I88-A191 CarbonylContact C-O 3Å; I88-A191 WeakPolarHBondContact CA-O 3.31Å; F89-A191 HydrophobicContact CB-CB 4.35Å; F89-A191 PolarHBondContact N-O 2.89Å; F89-A191 PolarHBondContact O-N 3.25Å; V91-A191 HydrophobicContact CG2-CB 3.9Å; A191-Q193 HydrophobicContact CB-CG 4.28Å; A191-V241 CarbonylContact C-O 3.5Å; A191-V241 WeakPolarHBondContact CA-O 3.12Å; A191-E242 HydrophobicContact CB-CB 4.46Å; A191-E242 HydrophobicContact CB-CG 3.73Å
192	I	98.7	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.8	171.5	-169.7	176.5	0	0	0	109.3	A86 S87 I88 A197 V200 V201 G240 V241 L257 V266	A86-I192 HydrophobicContact CB-CD1 4.31Å; A86-I192 HydrophobicContact CB-CG1 4.26Å; S87-I192 WeakPolarHBondContact O-CA 3.39Å; I88-I192 HydrophobicContact CG1-CB 4.25Å; I88-I192 HydrophobicContact CG1-CD1 4.05Å; I88-I192 HydrophobicContact CG1-CG1 3.96Å; I192-A197 HydrophobicContact CB-CB 4.47Å; I192-A197 HydrophobicContact CD1-CB 4.47Å; I192-A197 HydrophobicContact CG1-CB 3.85Å; I192-A197 HydrophobicContact CG2-CB 4.39Å; I192-V200 HydrophobicContact CD1-CB 4.22Å; I192-V200 HydrophobicContact CD1-CG1 4.07Å; I192-V201 HydrophobicContact CG2-CG2 3.47Å; I192-V201 VanDerWaalsContact CG2-CG2 3.47Å; I192-G240 CarbonylContact O-C 3.3Å; I192-G240 VanDerWaalsContact O-CA 3.28Å; I192-G240 WeakPolarHBondContact O-CA 3.3Å; I192-V241 HydrophobicContact CG2-CG2 3.63Å; I192-V241 PolarHBondContact N-O 3.43Å; I192-V241 PolarHBondContact O-N 2.87Å; I192-V241 VanDerWaalsContact O-O 3.09Å; I192-L257 HydrophobicContact CD1-CD2 4.02Å; I192-V266 HydrophobicContact CD1-CG1 4.1Å
193	Q	98.8	Very high	96.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.9	-160.5	-58.2	-77.9	-75.7	0	0	110.6	T82 A86 S87 F89 A191 C233 T236	T82-Q193 HydrophobicContact CG2-CB 4.2Å; A86-Q193 CarbonylContact C-O 3.59Å; A86-Q193 WeakPolarHBondContact CA-O 3.43Å; S87-Q193 PolarHBondContact N-O 2.86Å; S87-Q193 PolarHBondContact O-N 3.17Å; F89-Q193 HydrophobicContact CD2-CB 4.47Å; F89-Q193 HydrophobicContact CD2-CG 4.11Å; F89-Q193 HydrophobicContact CE2-CB 4.13Å; F89-Q193 HydrophobicContact CE2-CG 4.2Å; A191-Q193 HydrophobicContact CB-CG 4.28Å; Q193-C233 PolarHBondContact NE2-O 2.75Å; Q193-T236 HydrophobicContact CB-CG2 3.73Å; Q193-T236 HydrophobicContact CG-CG2 3.73Å; Q193-T236 PolarHBondContact OE1-OG1 3Å
194	G	98.3	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	129.8	163.9	-177.6	0	0	0	0	0	113	T82 H85 E196 A197 D239	T82-G194 WeakPolarHBondContact O-CA 3.41Å; H85-G194 CarbonylContact O-C 3.58Å; H85-G194 VanDerWaalsContact O-C 3.27Å; H85-G194 WeakPolarHBondContact O-CA 3.49Å; G194-E196 PolarHBondContact O-N 2.92Å; G194-A197 VanDerWaalsContact O-CB 3.29Å; G194-A197 WeakPolarHBondContact O-CB 3.44Å; G194-A197 PolarHBondContact O-N 3.18Å; G194-D239 PolarHBondContact N-O 2.74Å
195	P	96.8	Very high	96.5	Very high	55 Å²	55	33.5 Å²	33.5	36%	0.357	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9	-175.3	26.9	-37.4	0	0	0	115	H85	H85-P195 VanDerWaalsContact O-CD 3.3Å; H85-P195 WeakPolarHBondContact O-CD 3.25Å
196	E	96.4	Very high	96.9	Very high	42 Å²	42	40.6 Å²	40.6	20%	0.196	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-9	177.8	-48.4	-150.2	93.1	0	0	113.3	H85 G194 V198 K199 V200 T264	H85-E196 IonicContact CE1-OE2 2.77Å; H85-E196 IonicContact CG-OE2 2.9Å; H85-E196 IonicContact ND1-OE2 2.89Å; H85-E196 PolarHBondContact ND1-OE2 3.05Å; H85-E196 PolarHBondContact O-N 3.26Å; G194-E196 PolarHBondContact O-N 2.92Å; E196-V198 PolarHBondContact O-N 2.67Å; E196-K199 HydrophobicContact CB-CD 4.22Å; E196-K199 VanDerWaalsContact O-CB 3.32Å; E196-K199 WeakPolarHBondContact O-CB 3.47Å; E196-K199 PolarHBondContact O-N 2.66Å; E196-K199 IonicContact OE1-NZ 3.22Å; E196-K199 PolarHBondContact OE1-NZ 3.05Å; E196-V200 PolarHBondContact O-N 3.13Å; E196-T264 HydrophobicContact CB-CG2 3.5Å; E196-T264 HydrophobicContact CG-CG2 4.2Å
197	A	97.2	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.2	-45.9	-173.7	0	0	0	0	0	113.7	A86 I192 G194 K199 V200 V201	A86-A197 HydrophobicContact CB-CB 4.05Å; I192-A197 HydrophobicContact CB-CB 4.47Å; I192-A197 HydrophobicContact CD1-CB 4.47Å; I192-A197 HydrophobicContact CG1-CB 3.85Å; I192-A197 HydrophobicContact CG2-CB 4.39Å; G194-A197 VanDerWaalsContact O-CB 3.29Å; G194-A197 WeakPolarHBondContact O-CB 3.44Å; G194-A197 PolarHBondContact O-N 3.18Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 3.14Å; A197-V200 PolarHBondContact O-N 2.75Å; A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 2.86Å; A197-V201 VanDerWaalsContact O-N 3.15Å
198	V	97	Very high	97.3	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.097	18%	0.179	C	C	.	.	H	α-helix	trans	-70.7	-27.3	-177.9	173.8	0	0	0	0	112.1	E196 Q202 L209 V241	E196-V198 PolarHBondContact O-N 2.67Å; V198-Q202 WeakPolarHBondContact O-CB 3.37Å; V198-Q202 PolarHBondContact O-N 2.97Å; V198-L209 HydrophobicContact CG1-CB 3.74Å; V198-L209 HydrophobicContact CG1-CD1 4.03Å; V198-V241 HydrophobicContact CG2-CG1 4.21Å
199	K	95.3	Very high	97.3	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-64.9	-46.1	174.1	-54.1	168	-175.7	151.4	0	110.1	E196 A197 V201 Q202 E203	E196-K199 HydrophobicContact CB-CD 4.22Å; E196-K199 VanDerWaalsContact O-CB 3.32Å; E196-K199 WeakPolarHBondContact O-CB 3.47Å; E196-K199 PolarHBondContact O-N 2.66Å; E196-K199 IonicContact OE1-NZ 3.22Å; E196-K199 PolarHBondContact OE1-NZ 3.05Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 3.14Å; K199-V201 PolarHBondContact O-N 3.05Å; K199-Q202 WeakPolarHBondContact O-CB 3.29Å; K199-Q202 PolarHBondContact O-N 2.83Å; K199-E203 PolarHBondContact O-N 2.83Å
200	V	96.2	Very high	97.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-44.9	177.6	177.1	0	0	0	0	111.1	I192 E196 A197 Q202 E203 L257 T264 V266	I192-V200 HydrophobicContact CD1-CB 4.22Å; I192-V200 HydrophobicContact CD1-CG1 4.07Å; E196-V200 PolarHBondContact O-N 3.13Å; A197-V200 PolarHBondContact O-N 2.75Å; V200-Q202 VanDerWaalsContact C-N 3.31Å; V200-Q202 PolarHBondContact O-N 2.71Å; V200-E203 PolarHBondContact O-N 2.83Å; V200-L257 HydrophobicContact CG1-CD2 4.21Å; V200-L257 WeakPolarHBondContact CG1-O 3.47Å; V200-T264 HydrophobicContact CG2-CG2 4.35Å; V200-V266 HydrophobicContact CG1-CG2 4.18Å; V200-V266 HydrophobicContact CG2-CG2 3.77Å
201	V	97.1	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-33.3	177.5	-176.2	0	0	0	0	111.7	I192 A197 K199 E203 G204 V205 L209 I230 V241 I243 L257	I192-V201 HydrophobicContact CG2-CG2 3.47Å; I192-V201 VanDerWaalsContact CG2-CG2 3.47Å; A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 2.86Å; A197-V201 VanDerWaalsContact O-N 3.15Å; K199-V201 PolarHBondContact O-N 3.05Å; V201-E203 VanDerWaalsContact C-N 3.27Å; V201-E203 PolarHBondContact O-N 3.34Å; V201-G204 PolarHBondContact O-N 3.21Å; V201-G204 VanDerWaalsContact O-N 3.12Å; V201-V205 HydrophobicContact CG1-CG2 3.97Å; V201-V205 WeakPolarHBondContact O-CB 3.43Å; V201-V205 VanDerWaalsContact O-CG2 3.24Å; V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 3.41Å; V201-L209 HydrophobicContact CB-CD1 3.95Å; V201-L209 HydrophobicContact CG1-CD1 3.84Å; V201-I230 HydrophobicContact CG1-CD1 4.24Å; V201-V241 HydrophobicContact CB-CG2 4.49Å; V201-V241 HydrophobicContact CG1-CG2 4.44Å; V201-V241 HydrophobicContact CG2-CG2 3.77Å; V201-I243 HydrophobicContact CG1-CD1 4.04Å; V201-I243 HydrophobicContact CG2-CD1 4.03Å; V201-L257 HydrophobicContact CG2-CD2 3.8Å
202	Q	96.7	Very high	97	Very high	57 Å²	57	49.8 Å²	49.8	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-33	178.6	-172.6	64.5	86.9	0	0	112.8	V198 K199 V200 G204 V205 Y207 L209	V198-Q202 WeakPolarHBondContact O-CB 3.37Å; V198-Q202 PolarHBondContact O-N 2.97Å; K199-Q202 WeakPolarHBondContact O-CB 3.29Å; K199-Q202 PolarHBondContact O-N 2.83Å; V200-Q202 VanDerWaalsContact C-N 3.31Å; V200-Q202 PolarHBondContact O-N 2.71Å; Q202-G204 PolarHBondContact O-N 3.5Å; Q202-V205 PolarHBondContact NE2-O 2.81Å; Q202-V205 PolarHBondContact O-N 3.26Å; Q202-V205 VanDerWaalsContact O-O 3.09Å; Q202-Y207 PolarHBondContact NE2-O 2.9Å; Q202-L209 HydrophobicContact CB-CD1 4.13Å
203	E	95	Very high	96.9	Very high	107 Å²	107	51.6 Å²	51.6	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-29.1	177	-66.4	172.2	162.4	0	0	112	K199 V200 V201	K199-E203 PolarHBondContact O-N 2.83Å; V200-E203 PolarHBondContact O-N 2.83Å; V201-E203 VanDerWaalsContact C-N 3.27Å; V201-E203 PolarHBondContact O-N 3.34Å
204	G	95.8	Very high	96.9	Very high	16 Å²	16	54 Å²	54	17%	0.165	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.6	177.5	0	0	0	0	0	115.9	V201 Q202 F223	V201-G204 PolarHBondContact O-N 3.21Å; V201-G204 VanDerWaalsContact O-N 3.12Å; Q202-G204 PolarHBondContact O-N 3.5Å; G204-F223 PolarHBondContact O-N 2.77Å
205	V	97.2	Very high	96.9	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.067	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-132.9	130.1	-163.5	175.2	0	0	0	0	111.7	V201 Q202 L209 T220 V222 I230	V201-V205 HydrophobicContact CG1-CG2 3.97Å; V201-V205 WeakPolarHBondContact O-CB 3.43Å; V201-V205 VanDerWaalsContact O-CG2 3.24Å; V201-V205 WeakPolarHBondContact O-CG2 3.4Å; V201-V205 PolarHBondContact O-N 3.41Å; Q202-V205 PolarHBondContact NE2-O 2.81Å; Q202-V205 PolarHBondContact O-N 3.26Å; Q202-V205 VanDerWaalsContact O-O 3.09Å; V205-L209 HydrophobicContact CG1-CD2 4.49Å; V205-T220 HydrophobicContact CG1-CG2 3.97Å; V205-V222 HydrophobicContact CG2-CB 4.15Å; V205-V222 HydrophobicContact CG2-CG1 4.09Å; V205-V222 HydrophobicContact CG2-CG2 3.77Å; V205-I230 HydrophobicContact CG1-CD1 4.04Å; V205-I230 HydrophobicContact CG2-CD1 3.83Å
206	R	97.7	Very high	96.9	Very high	253 Å²	253	53.3 Å²	53.3	96%	0.955	24%	0.241	S	C	*	.	S	Bend	trans	-77.9	-26	177	-179.2	173.5	175.1	177.4	-0.5	113.6
207	Y	97.5	Very high	97	Very high	84 Å²	84	51.8 Å²	51.8	33%	0.329	24%	0.235	S	C	.	.	S	Bend	trans	-68.3	137	174.5	-176.4	-80.9	0	0	0	110.1	Q202 L209 C211 L212 V218	Q202-Y207 PolarHBondContact NE2-O 2.9Å; Y207-L209 HydrophobicContact CD1-CD2 4.19Å; Y207-L209 PolarHBondContact O-N 2.81Å; Y207-C211 HydrophobicContact CE1-CB 4.21Å; Y207-L212 HydrophobicContact CE1-CB 4.14Å; Y207-L212 HydrophobicContact CE1-CD1 4.48Å; Y207-V218 HydrophobicContact CD1-CG1 4.15Å; Y207-V218 HydrophobicContact CD2-CG2 3.91Å; Y207-V218 HydrophobicContact CE1-CG1 4.32Å; Y207-V218 HydrophobicContact CE2-CB 4.5Å; Y207-V218 HydrophobicContact CE2-CG2 3.89Å; Y207-V218 HydrophobicContact CG-CG1 4.29Å; Y207-V218 HydrophobicContact CG-CG2 4.42Å
208	D	97.6	Very high	97	Very high	54 Å²	54	53 Å²	53	29%	0.289	24%	0.242	S	C	.	.			trans	-77.4	103.3	178.3	-172.3	-11.3	0	0	0	110.7	R210 C211	D208-R210 PolarHBondContact O-N 2.81Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.47Å; D208-R210 VanDerWaalsContact OD1-CG 3.25Å; D208-R210 WeakPolarHBondContact OD1-CG 3.42Å; D208-R210 IonicContact OD1-CZ 3.75Å; D208-R210 PolarHBondContact OD1-N 2.92Å; D208-R210 IonicContact OD1-NE 2.87Å; D208-R210 PolarHBondContact OD1-NE 3.41Å; D208-R210 IonicContact OD1-NH2 3.8Å; D208-R210 IonicContact OD2-CZ 3.29Å; D208-R210 VanDerWaalsContact OD2-CZ 3.29Å; D208-R210 IonicContact OD2-NE 3.11Å; D208-R210 PolarHBondContact OD2-NE 2.9Å; D208-R210 VanDerWaalsContact OD2-NE 3.11Å; D208-R210 IonicContact OD2-NH2 2.67Å; D208-R210 PolarHBondContact OD2-NH2 3.04Å; D208-C211 WeakPolarHBondContact O-CB 3.41Å; D208-C211 PolarHBondContact O-N 3.36Å
209	L	97.7	Very high	97.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8	-178.8	-60.3	174.9	0	0	0	112.6	V198 V201 Q202 V205 Y207 C211 L212 I230 R232	V198-L209 HydrophobicContact CG1-CB 3.74Å; V198-L209 HydrophobicContact CG1-CD1 4.03Å; V201-L209 HydrophobicContact CB-CD1 3.95Å; V201-L209 HydrophobicContact CG1-CD1 3.84Å; Q202-L209 HydrophobicContact CB-CD1 4.13Å; V205-L209 HydrophobicContact CG1-CD2 4.49Å; Y207-L209 HydrophobicContact CD1-CD2 4.19Å; Y207-L209 PolarHBondContact O-N 2.81Å; L209-C211 PolarHBondContact O-N 3.22Å; L209-L212 HydrophobicContact CD2-CB 4.36Å; L209-L212 HydrophobicContact CD2-CD2 3.92Å; L209-L212 PolarHBondContact O-N 2.62Å; L209-I230 HydrophobicContact CD2-CD1 4.01Å; L209-I230 HydrophobicContact CD2-CG2 4.39Å; L209-R232 PolarHBondContact O-NH1 3.29Å
210	R	96.4	Very high	97.2	Very high	167 Å²	167	52.1 Å²	52.1	63%	0.63	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17	167.6	-55.3	173.1	-64.4	178.5	4.7	112.3	D208 Y417	D208-R210 PolarHBondContact O-N 2.81Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.47Å; D208-R210 VanDerWaalsContact OD1-CG 3.25Å; D208-R210 WeakPolarHBondContact OD1-CG 3.42Å; D208-R210 IonicContact OD1-CZ 3.75Å; D208-R210 PolarHBondContact OD1-N 2.92Å; D208-R210 IonicContact OD1-NE 2.87Å; D208-R210 PolarHBondContact OD1-NE 3.41Å; D208-R210 IonicContact OD1-NH2 3.8Å; D208-R210 IonicContact OD2-CZ 3.29Å; D208-R210 VanDerWaalsContact OD2-CZ 3.29Å; D208-R210 IonicContact OD2-NE 3.11Å; D208-R210 PolarHBondContact OD2-NE 2.9Å; D208-R210 VanDerWaalsContact OD2-NE 3.11Å; D208-R210 IonicContact OD2-NH2 2.67Å; D208-R210 PolarHBondContact OD2-NH2 3.04Å; R210-Y417 WeakPolarHBondContact O-CE1 3.11Å; R210-Y417 PolarHBondContact O-OH 2.79Å; R210-Y417 VanDerWaalsContact O-OH 3.11Å
211	C	95.9	Very high	97.3	Very high	68 Å²	68	57.9 Å²	57.9	46%	0.459	27%	0.271	S	S	.	.	S	Bend	trans	-86.6	-16.1	170.5	-61.1	0	0	0	0	113	Y207 D208 L209 F213	Y207-C211 HydrophobicContact CE1-CB 4.21Å; D208-C211 WeakPolarHBondContact O-CB 3.41Å; D208-C211 PolarHBondContact O-N 3.36Å; L209-C211 PolarHBondContact O-N 3.22Å; C211-F213 VanDerWaalsContact O-CD2 3.25Å; C211-F213 WeakPolarHBondContact O-CD2 3.48Å; C211-F213 WeakPolarHBondContact O-CE2 3.28Å; C211-F213 PolarHBondContact O-N 2.93Å
212	L	97.5	Very high	97.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	27%	0.271	C	S	.	.			trans	-91	82.9	-176	-163.6	75	0	0	0	111.2	Y207 L209 V218 I230 R232	Y207-L212 HydrophobicContact CE1-CB 4.14Å; Y207-L212 HydrophobicContact CE1-CD1 4.48Å; L209-L212 HydrophobicContact CD2-CB 4.36Å; L209-L212 HydrophobicContact CD2-CD2 3.92Å; L209-L212 PolarHBondContact O-N 2.62Å; L212-V218 HydrophobicContact CD1-CB 4.02Å; L212-V218 HydrophobicContact CD1-CG1 3.91Å; L212-V218 HydrophobicContact CD2-CG1 4.22Å; L212-I230 HydrophobicContact CD2-CB 4.28Å; L212-I230 HydrophobicContact CD2-CG2 3.83Å; L212-R232 HydrophobicContact CD2-CB 4.12Å; L212-R232 HydrophobicContact CG-CB 4.06Å; L212-R232 WeakPolarHBondContact O-CD 3.44Å; L212-R232 VanDerWaalsContact O-CG 3.25Å; L212-R232 WeakPolarHBondContact O-CG 3.36Å; L212-R232 PolarHBondContact O-NH1 3.3Å
213	F	97.3	Very high	97.3	Very high	37 Å²	37	56.7 Å²	56.7	16%	0.162	27%	0.265	C	S	.	.			trans	-71.9	159.2	-177.8	-57.8	-73.1	0	0	0	113.4	C211 M215 S216 R232 Y417 R419	C211-F213 VanDerWaalsContact O-CD2 3.25Å; C211-F213 WeakPolarHBondContact O-CD2 3.48Å; C211-F213 WeakPolarHBondContact O-CE2 3.28Å; C211-F213 PolarHBondContact O-N 2.93Å; F213-M215 PolarHBondContact O-N 3.03Å; F213-S216 PolarHBondContact N-OG 2.93Å; F213-S216 WeakPolarHBondContact O-CB 3.29Å; F213-S216 PolarHBondContact O-N 3Å; F213-S216 PolarHBondContact O-OG 3.48Å; F213-R232 WeakPolarHBondContact O-CB 3.34Å; F213-Y417 AromaticContact CD1-CD1 3.86Å; F213-Y417 HydrophobicContact CD1-CD1 3.86Å; F213-Y417 AromaticContact CD1-CE1 3.58Å; F213-Y417 HydrophobicContact CD1-CE1 3.58Å; F213-Y417 HydrophobicContact CE1-CD1 4.44Å; F213-Y417 AromaticContact CE1-CE1 3.72Å; F213-Y417 HydrophobicContact CE1-CE1 3.72Å; F213-R419 HydrophobicContact CB-CB 4.35Å; F213-R419 VanDerWaalsContact CD1-CA 3.49Å; F213-R419 HydrophobicContact CD1-CB 3.62Å; F213-R419 HydrophobicContact CD1-CG 4.4Å; F213-R419 VanDerWaalsContact CD1-N 3.29Å; F213-R419 HydrophobicContact CD2-CB 3.87Å; F213-R419 HydrophobicContact CD2-CG 4.18Å; F213-R419 HydrophobicContact CE1-CB 3.77Å; F213-R419 HydrophobicContact CE1-CG 4.11Å; F213-R419 HydrophobicContact CE2-CB 4.02Å; F213-R419 HydrophobicContact CE2-CG 3.87Å; F213-R419 HydrophobicContact CG-CB 3.66Å; F213-R419 HydrophobicContact CG-CG 4.42Å; F213-R419 HydrophobicContact CZ-CB 3.96Å; F213-R419 HydrophobicContact CZ-CG 3.83Å
214	F	98.3	Very high	97.4	Very high	51 Å²	51	53.6 Å²	53.6	22%	0.224	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	133.6	177.4	177.1	-110.1	0	0	0	112	R232 Y416 Y417 L418	F214-R232 CarbonylContact C-O 3.56Å; F214-R232 WeakPolarHBondContact CA-O 3.35Å; F214-R232 VanDerWaalsContact CD2-O 3.32Å; F214-R232 WeakPolarHBondContact CD2-O 3.47Å; F214-Y416 HydrophobicContact CD1-CD2 4.17Å; F214-Y416 HydrophobicContact CD1-CG 4.02Å; F214-Y416 AromaticContact CD2-CD1 3.75Å; F214-Y416 HydrophobicContact CD2-CD1 3.75Å; F214-Y416 HydrophobicContact CD2-CE1 4.36Å; F214-Y416 AromaticContact CD2-CG 3.92Å; F214-Y416 HydrophobicContact CD2-CG 3.92Å; F214-Y416 HydrophobicContact CE1-CD1 4.35Å; F214-Y416 AromaticContact CE1-CD2 3.74Å; F214-Y416 HydrophobicContact CE1-CD2 3.74Å; F214-Y416 HydrophobicContact CE1-CE2 4.03Å; F214-Y416 AromaticContact CE1-CG 3.92Å; F214-Y416 HydrophobicContact CE1-CG 3.92Å; F214-Y416 AromaticContact CE2-CD1 3.44Å; F214-Y416 HydrophobicContact CE2-CD1 3.44Å; F214-Y416 VanDerWaalsContact CE2-CD1 3.44Å; F214-Y416 HydrophobicContact CE2-CD2 4.31Å; F214-Y416 AromaticContact CE2-CE1 3.6Å; F214-Y416 HydrophobicContact CE2-CE1 3.6Å; F214-Y416 HydrophobicContact CE2-CE2 4.45Å; F214-Y416 AromaticContact CE2-CG 3.82Å; F214-Y416 HydrophobicContact CE2-CG 3.82Å; F214-Y416 HydrophobicContact CG-CD1 4.33Å; F214-Y416 HydrophobicContact CG-CG 4.03Å; F214-Y416 AromaticContact CZ-CD1 3.78Å; F214-Y416 HydrophobicContact CZ-CD1 3.78Å; F214-Y416 AromaticContact CZ-CD2 3.83Å; F214-Y416 HydrophobicContact CZ-CD2 3.83Å; F214-Y416 AromaticContact CZ-CE1 3.74Å; F214-Y416 HydrophobicContact CZ-CE1 3.74Å; F214-Y416 AromaticContact CZ-CE2 3.8Å; F214-Y416 HydrophobicContact CZ-CE2 3.8Å; F214-Y416 AromaticContact CZ-CG 3.82Å; F214-Y416 HydrophobicContact CZ-CG 3.82Å; F214-Y416 AromaticContact CZ-CZ 3.74Å; F214-Y417 WeakPolarHBondContact CB-O 3.49Å; F214-Y417 PolarHBondContact N-O 3.11Å; F214-L418 HydrophobicContact CB-CD2 4.19Å; F214-L418 HydrophobicContact CD1-CD2 4.01Å
215	M	97.7	Very high	97.6	Very high	34 Å²	34	53.2 Å²	53.2	17%	0.167	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	37.5	-169	-55	-59.3	-62.9	0	0	114.7	A124 L126 I141 F213 R232 C233	A124-M215 HydrophobicContact CB-CE 4.01Å; A124-M215 PolarHBondContact N-O 3.19Å; L126-M215 HydrophobicContact CB-CE 4.36Å; L126-M215 VanDerWaalsContact N-CE 3.35Å; I141-M215 HydrophobicContact CD1-CE 4.31Å; I141-M215 HydrophobicContact CG1-CE 4.32Å; I141-M215 HydrophobicContact CG2-CE 3.91Å; F213-M215 PolarHBondContact O-N 3.03Å; M215-R232 PolarHBondContact N-O 3.23Å; M215-C233 HydrophobicContact SD-CB 3.99Å
216	S	97.7	Very high	97.6	Very high	8 Å²	8	56.3 Å²	56.3	6%	0.056	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-129.4	161	161.7	70.6	0	0	0	0	111.4	G122 F213 R232	G122-S216 CarbonylContact O-C 3.57Å; G122-S216 VanDerWaalsContact O-CA 3.25Å; G122-S216 WeakPolarHBondContact O-CA 3.43Å; F213-S216 PolarHBondContact N-OG 2.93Å; F213-S216 WeakPolarHBondContact O-CB 3.29Å; F213-S216 PolarHBondContact O-N 3Å; F213-S216 PolarHBondContact O-OG 3.48Å; S216-R232 PolarHBondContact O-N 3.13Å
217	S	98.2	Very high	97.5	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.7	179.1	85.2	0	0	0	0	112.6	G122 T143 R229 I230 S231	G122-S217 PolarHBondContact O-N 2.55Å; T143-S217 WeakPolarHBondContact CG2-OG 3.21Å; S217-R229 PolarHBondContact OG-NH1 3.03Å; S217-I230 CarbonylContact C-O 3.5Å; S217-I230 WeakPolarHBondContact CA-O 3.42Å; S217-I230 VanDerWaalsContact CB-O 3.28Å; S217-I230 WeakPolarHBondContact CB-O 3.46Å; S217-S231 VanDerWaalsContact CB-OG 3.3Å; S217-S231 WeakPolarHBondContact CB-OG 3.17Å
218	V	97.8	Very high	97.5	Very high	26 Å²	26	45.7 Å²	45.7	16%	0.158	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.7	172.5	64.6	0	0	0	0	110.1	Y207 L212 T220 R229 I230	Y207-V218 HydrophobicContact CD1-CG1 4.15Å; Y207-V218 HydrophobicContact CD2-CG2 3.91Å; Y207-V218 HydrophobicContact CE1-CG1 4.32Å; Y207-V218 HydrophobicContact CE2-CB 4.5Å; Y207-V218 HydrophobicContact CE2-CG2 3.89Å; Y207-V218 HydrophobicContact CG-CG1 4.29Å; Y207-V218 HydrophobicContact CG-CG2 4.42Å; L212-V218 HydrophobicContact CD1-CB 4.02Å; L212-V218 HydrophobicContact CD1-CG1 3.91Å; L212-V218 HydrophobicContact CD2-CG1 4.22Å; V218-T220 HydrophobicContact CG1-CG2 4.28Å; V218-R229 WeakPolarHBondContact O-CA 3.15Å; V218-I230 HydrophobicContact CG1-CB 4.31Å; V218-I230 PolarHBondContact N-O 3.32Å; V218-I230 PolarHBondContact O-N 2.97Å
219	V	97.7	Very high	97.6	Very high	77 Å²	77	43.6 Å²	43.6	47%	0.467	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.4	167.7	-178.6	0	0	0	0	108.5	C228 R229	V219-C228 WeakPolarHBondContact CA-O 3.42Å; V219-R229 HydrophobicContact CG2-CB 4.23Å; V219-R229 HydrophobicContact CG2-CG 4.38Å
220	T	97.9	Very high	97.6	Very high	33 Å²	33	43.6 Å²	43.6	20%	0.202	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-172.7	-173.5	-161	0	0	0	0	112.5	V205 V218 V222 N227 C228 I230	V205-T220 HydrophobicContact CG1-CG2 3.97Å; V218-T220 HydrophobicContact CG1-CG2 4.28Å; T220-V222 HydrophobicContact CG2-CG2 4.29Å; T220-N227 PolarHBondContact O-N 3.04Å; T220-C228 PolarHBondContact N-O 2.77Å; T220-C228 PolarHBondContact O-N 3.06Å; T220-C228 VanDerWaalsContact O-N 3.1Å; T220-I230 HydrophobicContact CG2-CD1 3.49Å; T220-I230 VanDerWaalsContact CG2-CD1 3.49Å; T220-I230 HydrophobicContact CG2-CG1 4.05Å
221	K	98.4	Very high	97.7	Very high	121 Å²	121	36.3 Å²	36.3	53%	0.526	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.7	175.1	-152.1	-176.9	-144.8	-125.5	0	110	G224 I225	K221-G224 WeakPolarHBondContact CE-O 3.48Å; K221-G224 PolarHBondContact NZ-O 3.36Å; K221-I225 CarbonylContact C-O 3.56Å; K221-I225 VanDerWaalsContact CA-O 3.26Å; K221-I225 WeakPolarHBondContact CA-O 3.37Å; K221-I225 WeakPolarHBondContact CG-O 3.24Å
222	V	98.3	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.9	-177	-178.6	0	0	0	0	109.3	V205 T220 G224 I225 C228 I230 I243 L253	V205-V222 HydrophobicContact CG2-CB 4.15Å; V205-V222 HydrophobicContact CG2-CG1 4.09Å; V205-V222 HydrophobicContact CG2-CG2 3.77Å; T220-V222 HydrophobicContact CG2-CG2 4.29Å; V222-G224 PolarHBondContact O-N 2.97Å; V222-G224 VanDerWaalsContact O-N 3.09Å; V222-I225 PolarHBondContact N-O 2.87Å; V222-I225 WeakPolarHBondContact O-CA 3.33Å; V222-I225 VanDerWaalsContact O-CB 3.25Å; V222-I225 WeakPolarHBondContact O-CB 3.38Å; V222-I225 PolarHBondContact O-N 3.05Å; V222-C228 HydrophobicContact CB-CB 4.06Å; V222-C228 HydrophobicContact CG2-CB 3.5Å; V222-I230 HydrophobicContact CG2-CD1 3.77Å; V222-I230 HydrophobicContact CG2-CG1 3.84Å; V222-I243 HydrophobicContact CG1-CD1 4.46Å; V222-I243 HydrophobicContact CG2-CG2 4.48Å; V222-L253 HydrophobicContact CB-CD1 4.46Å; V222-L253 HydrophobicContact CG1-CD1 3.55Å
223	F	96.9	Very high	97.9	Very high	32 Å²	32	33.8 Å²	33.8	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	37.6	-173.9	-64.6	-73.3	0	0	0	113.6	G204 I225 L253 Q256 L257 N260	G204-F223 PolarHBondContact O-N 2.77Å; F223-I225 VanDerWaalsContact C-N 3.28Å; F223-I225 PolarHBondContact O-N 3.45Å; F223-L253 HydrophobicContact CD2-CD1 4.14Å; F223-Q256 HydrophobicContact CB-CB 3.81Å; F223-Q256 HydrophobicContact CB-CG 3.89Å; F223-Q256 HydrophobicContact CD1-CB 3.98Å; F223-Q256 HydrophobicContact CD2-CB 3.77Å; F223-Q256 HydrophobicContact CE2-CB 4.36Å; F223-Q256 HydrophobicContact CG-CB 3.57Å; F223-Q256 HydrophobicContact CG-CG 4.2Å; F223-L257 HydrophobicContact CE2-CD2 3.71Å; F223-L257 HydrophobicContact CE2-CG 4.12Å; F223-N260 WeakPolarHBondContact CD1-ND2 3.48Å; F223-N260 HydrophobicContact CE1-CB 4Å; F223-N260 WeakPolarHBondContact CE1-ND2 3.4Å
224	G	97.2	Very high	97.9	Very high	42 Å²	42	32.9 Å²	32.9	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-12.1	-177.6	0	0	0	0	0	115.6	K221 V222	K221-G224 WeakPolarHBondContact CE-O 3.48Å; K221-G224 PolarHBondContact NZ-O 3.36Å; V222-G224 PolarHBondContact O-N 2.97Å; V222-G224 VanDerWaalsContact O-N 3.09Å
225	I	98.1	Very high	98	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.046	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.1	175.8	-53.2	159.5	0	0	0	109.4	K221 V222 F223 V245 N249 L253	K221-I225 CarbonylContact C-O 3.56Å; K221-I225 VanDerWaalsContact CA-O 3.26Å; K221-I225 WeakPolarHBondContact CA-O 3.37Å; K221-I225 WeakPolarHBondContact CG-O 3.24Å; V222-I225 PolarHBondContact N-O 2.87Å; V222-I225 WeakPolarHBondContact O-CA 3.33Å; V222-I225 VanDerWaalsContact O-CB 3.25Å; V222-I225 WeakPolarHBondContact O-CB 3.38Å; V222-I225 PolarHBondContact O-N 3.05Å; F223-I225 VanDerWaalsContact C-N 3.28Å; F223-I225 PolarHBondContact O-N 3.45Å; I225-V245 HydrophobicContact CG2-CG2 3.79Å; I225-N249 HydrophobicContact CD1-CB 4.08Å; I225-N249 HydrophobicContact CG1-CB 4.24Å; I225-N249 HydrophobicContact CG2-CB 3.7Å; I225-L253 HydrophobicContact CD1-CB 3.78Å; I225-L253 HydrophobicContact CD1-CD1 4.25Å
226	P	97.4	Very high	98	Very high	75 Å²	75	30.6 Å²	30.6	49%	0.487	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	165.1	178.5	34.5	-35.9	0	0	0	112.8	C228	P226-C228 PolarHBondContact O-N 3.32Å
227	N	96	Very high	98	Very high	115 Å²	115	30.2 Å²	30.2	62%	0.615	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54.8	37.7	168.6	-55.8	-10	0	0	0	114	R187 T220	R187-N227 PolarHBondContact NH2-O 2.95Å; T220-N227 PolarHBondContact O-N 3.04Å
228	C	98.3	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.2	169.4	-63.5	0	0	0	0	109	V219 T220 V222 P226 I243 S244	V219-C228 WeakPolarHBondContact CA-O 3.42Å; T220-C228 PolarHBondContact N-O 2.77Å; T220-C228 PolarHBondContact O-N 3.06Å; T220-C228 VanDerWaalsContact O-N 3.1Å; V222-C228 HydrophobicContact CB-CB 4.06Å; V222-C228 HydrophobicContact CG2-CB 3.5Å; P226-C228 PolarHBondContact O-N 3.32Å; C228-I243 HydrophobicContact CB-CG2 4.1Å; C228-S244 CarbonylContact C-O 3.58Å; C228-S244 VanDerWaalsContact CA-O 3.26Å; C228-S244 WeakPolarHBondContact CA-O 3.28Å
229	R	98.2	Very high	98.1	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.2	166.2	-176.7	-171.7	-67.2	-84	4.5	108.1	D145 H148 S217 V218 V219 I243 S244	D145-R229 IonicContact OD1-CZ 2.76Å; D145-R229 IonicContact OD1-NH1 3.34Å; D145-R229 PolarHBondContact OD1-NH1 3.26Å; D145-R229 IonicContact OD1-NH2 2.69Å; D145-R229 PolarHBondContact OD1-NH2 2.95Å; D145-R229 IonicContact OD2-CZ 3.82Å; D145-R229 IonicContact OD2-NH1 3.41Å; D145-R229 PolarHBondContact OD2-NH1 3.34Å; D145-R229 IonicContact OD2-NH2 3.93Å; D145-R229 PolarHBondContact OD2-NH2 3.21Å; H148-R229 PolarHBondContact NE2-NH2 2.79Å; H148-R229 VanDerWaalsContact NE2-NH2 3.17Å; S217-R229 PolarHBondContact OG-NH1 3.03Å; V218-R229 WeakPolarHBondContact O-CA 3.15Å; V219-R229 HydrophobicContact CG2-CB 4.23Å; V219-R229 HydrophobicContact CG2-CG 4.38Å; R229-I243 CarbonylContact O-C 3.47Å; R229-I243 WeakPolarHBondContact O-CA 3.28Å; R229-S244 PolarHBondContact N-O 3.38Å; R229-S244 PolarHBondContact O-N 3.41Å
230	I	98.8	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.6	168.6	-49.9	174.4	0	0	0	107.2	V201 V205 L209 L212 S217 V218 T220 V222 V241	V201-I230 HydrophobicContact CG1-CD1 4.24Å; V205-I230 HydrophobicContact CG1-CD1 4.04Å; V205-I230 HydrophobicContact CG2-CD1 3.83Å; L209-I230 HydrophobicContact CD2-CD1 4.01Å; L209-I230 HydrophobicContact CD2-CG2 4.39Å; L212-I230 HydrophobicContact CD2-CB 4.28Å; L212-I230 HydrophobicContact CD2-CG2 3.83Å; S217-I230 CarbonylContact C-O 3.5Å; S217-I230 WeakPolarHBondContact CA-O 3.42Å; S217-I230 VanDerWaalsContact CB-O 3.28Å; S217-I230 WeakPolarHBondContact CB-O 3.46Å; V218-I230 HydrophobicContact CG1-CB 4.31Å; V218-I230 PolarHBondContact N-O 3.32Å; V218-I230 PolarHBondContact O-N 2.97Å; T220-I230 HydrophobicContact CG2-CD1 3.49Å; T220-I230 VanDerWaalsContact CG2-CD1 3.49Å; T220-I230 HydrophobicContact CG2-CG1 4.05Å; V222-I230 HydrophobicContact CG2-CD1 3.77Å; V222-I230 HydrophobicContact CG2-CG1 3.84Å; I230-V241 HydrophobicContact CG2-CB 3.67Å; I230-V241 HydrophobicContact CG2-CG1 3.55Å; I230-V241 HydrophobicContact CG2-CG2 3.98Å
231	S	98.7	Very high	98.2	Very high	14 Å²	14	24.8 Å²	24.8	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.1	173.1	-62.3	0	0	0	0	109.7	S217 C233 V241 E242	S217-S231 VanDerWaalsContact CB-OG 3.3Å; S217-S231 WeakPolarHBondContact CB-OG 3.17Å; S231-C233 VanDerWaalsContact CB-SG 3.51Å; S231-C233 PolarHBondContact O-N 2.65Å; S231-V241 CarbonylContact O-C 3.44Å; S231-V241 WeakPolarHBondContact O-CA 3.41Å; S231-V241 WeakPolarHBondContact O-CB 3.31Å; S231-E242 PolarHBondContact N-O 2.85Å; S231-E242 PolarHBondContact O-N 3.28Å
232	R	98.6	Very high	98.2	Very high	7 Å²	7	20 Å²	20	3%	0.026	12%	0.121	C	C	.	.	S	Bend	trans	-78.6	70.9	177.2	-166	80.3	168	-109.8	13.7	110.5	L209 L212 F213 F214 M215 S216 D239 G240 Y417	L209-R232 PolarHBondContact O-NH1 3.29Å; L212-R232 HydrophobicContact CD2-CB 4.12Å; L212-R232 HydrophobicContact CG-CB 4.06Å; L212-R232 WeakPolarHBondContact O-CD 3.44Å; L212-R232 VanDerWaalsContact O-CG 3.25Å; L212-R232 WeakPolarHBondContact O-CG 3.36Å; L212-R232 PolarHBondContact O-NH1 3.3Å; F213-R232 WeakPolarHBondContact O-CB 3.34Å; F214-R232 CarbonylContact C-O 3.56Å; F214-R232 WeakPolarHBondContact CA-O 3.35Å; F214-R232 VanDerWaalsContact CD2-O 3.32Å; F214-R232 WeakPolarHBondContact CD2-O 3.47Å; M215-R232 PolarHBondContact N-O 3.23Å; S216-R232 PolarHBondContact O-N 3.13Å; R232-D239 IonicContact CZ-OD1 3.8Å; R232-D239 IonicContact CZ-OD2 2.97Å; R232-D239 IonicContact NE-OD1 3.62Å; R232-D239 PolarHBondContact NE-OD1 3.02Å; R232-D239 IonicContact NE-OD2 2.66Å; R232-D239 IonicContact NH2-OD1 2.75Å; R232-D239 PolarHBondContact NH2-OD1 3.42Å; R232-D239 IonicContact NH2-OD2 3.7Å; R232-D239 PolarHBondContact NH2-OD2 3.49Å; R232-G240 WeakPolarHBondContact CD-O 3.38Å; R232-Y417 VanDerWaalsContact CZ-CD1 3.41Å; R232-Y417 VanDerWaalsContact NH1-CD1 3.34Å; R232-Y417 VanDerWaalsContact NH2-CB 3.27Å
233	C	98.5	Very high	98.2	Very high	10 Å²	10	20 Å²	20	7%	0.068	12%	0.121	C	C	.	.			trans	-146.4	-178.6	-179.2	61.2	0	0	0	0	110.5	I141 Q193 M215 S231	I141-C233 HydrophobicContact CD1-CB 4.14Å; Q193-C233 PolarHBondContact NE2-O 2.75Å; M215-C233 HydrophobicContact SD-CB 3.99Å; S231-C233 VanDerWaalsContact CB-SG 3.51Å; S231-C233 PolarHBondContact O-N 2.65Å
234	G	98.2	Very high	98.3	Very high	17 Å²	17	18.7 Å²	18.7	18%	0.175	12%	0.116	C	C	.	.			trans	154.1	178.3	172	0	0	0	0	0	113.4
235	Y	98.6	Very high	98.4	Very high	38 Å²	38	16.7 Å²	16.7	15%	0.149	10%	0.096	C	C	.	.	S	Bend	trans	-116.1	40.9	-162.3	-165	-120.2	0	0	0	112	R274 R278 L283 C284 L285	Y235-R274 HydrophobicContact CD1-CG 3.87Å; Y235-R274 HydrophobicContact CE1-CG 4.46Å; Y235-R278 HydrophobicContact CD1-CB 3.56Å; Y235-R278 HydrophobicContact CD1-CG 3.99Å; Y235-R278 HydrophobicContact CD2-CB 4.25Å; Y235-R278 HydrophobicContact CE1-CB 3.48Å; Y235-R278 VanDerWaalsContact CE1-CB 3.48Å; Y235-R278 HydrophobicContact CE1-CG 3.42Å; Y235-R278 VanDerWaalsContact CE1-CG 3.42Å; Y235-R278 HydrophobicContact CE2-CB 4.14Å; Y235-R278 HydrophobicContact CG-CB 3.98Å; Y235-R278 VanDerWaalsContact O-CB 3.29Å; Y235-R278 WeakPolarHBondContact O-CB 3.37Å; Y235-R278 WeakPolarHBondContact OH-CD 3.29Å; Y235-L283 HydrophobicContact CD2-CB 4.17Å; Y235-L283 HydrophobicContact CD2-CD1 3.71Å; Y235-L283 HydrophobicContact CE2-CB 3.84Å; Y235-L283 HydrophobicContact CE2-CD1 4.26Å; Y235-L283 HydrophobicContact CG-CD1 4.27Å; Y235-C284 PolarHBondContact OH-O 3.28Å; Y235-L285 WeakPolarHBondContact OH-CA 3.28Å
236	T	98.8	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-130.9	-17.6	-173.4	61.3	0	0	0	0	114.7	R83 F89 Q193 E238 L277 A281	R83-T236 PolarHBondContact NH1-O 3.35Å; F89-T236 HydrophobicContact CE2-CG2 4.16Å; F89-T236 HydrophobicContact CZ-CG2 4.47Å; Q193-T236 HydrophobicContact CB-CG2 3.73Å; Q193-T236 HydrophobicContact CG-CG2 3.73Å; Q193-T236 PolarHBondContact OE1-OG1 3Å; T236-E238 PolarHBondContact O-N 2.85Å; T236-E238 PolarHBondContact OG1-N 3.4Å; T236-L277 HydrophobicContact CG2-CB 4.28Å; T236-L277 HydrophobicContact CG2-CD1 3.97Å; T236-A281 WeakPolarHBondContact O-CB 3.39Å
237	G	98.4	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	80.1	-11.2	-170.4	0	0	0	0	0	114.8	H414 H415	G237-H414 CarbonylContact O-C 3.58Å; G237-H414 VanDerWaalsContact O-CA 3.22Å; G237-H414 WeakPolarHBondContact O-CA 3.41Å; G237-H415 PolarHBondContact O-N 3.24Å
238	E	98.7	Very high	98.5	Very high	5 Å²	5	16 Å²	16	2%	0.023	10%	0.098	C	C	.	.	S	Bend	trans	-79.4	174.2	174	-60.6	-55.8	146.7	0	0	111.5	R83 T236 H415 Y416	R83-E238 VanDerWaalsContact CD-OE1 3.22Å; R83-E238 WeakPolarHBondContact CD-OE1 3.19Å; R83-E238 HydrophobicContact CG-CG 4.36Å; R83-E238 VanDerWaalsContact CG-OE1 3.24Å; R83-E238 WeakPolarHBondContact CG-OE1 3.41Å; R83-E238 IonicContact CZ-OE1 3.82Å; R83-E238 IonicContact NE-OE1 2.72Å; R83-E238 IonicContact NH1-OE1 3.35Å; R83-E238 PolarHBondContact NH1-OE1 2.81Å; T236-E238 PolarHBondContact O-N 2.85Å; T236-E238 PolarHBondContact OG1-N 3.4Å; E238-H415 IonicContact OE1-ND1 2.76Å; E238-H415 IonicContact OE2-CE1 3.34Å; E238-H415 IonicContact OE2-CG 3.83Å; E238-H415 IonicContact OE2-ND1 3.21Å; E238-H415 PolarHBondContact OE2-ND1 3.02Å; E238-Y416 WeakPolarHBondContact O-CD1 3.3Å
239	D	98.6	Very high	98.5	Very high	22 Å²	22	18.4 Å²	18.4	12%	0.118	11%	0.111	C	C	.	.	S	Bend	trans	-68.3	158.2	157.7	-165.6	23.5	0	0	0	110.5	G194 R232 Y417	G194-D239 PolarHBondContact N-O 2.74Å; R232-D239 IonicContact CZ-OD1 3.8Å; R232-D239 IonicContact CZ-OD2 2.97Å; R232-D239 IonicContact NE-OD1 3.62Å; R232-D239 PolarHBondContact NE-OD1 3.02Å; R232-D239 IonicContact NE-OD2 2.66Å; R232-D239 IonicContact NH2-OD1 2.75Å; R232-D239 PolarHBondContact NH2-OD1 3.42Å; R232-D239 IonicContact NH2-OD2 3.7Å; R232-D239 PolarHBondContact NH2-OD2 3.49Å; D239-Y417 WeakPolarHBondContact OD1-CB 3.38Å
240	G	98.6	Very high	98.5	Very high	3 Å²	3	18 Å²	18	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	178.1	-177.5	0	0	0	0	0	113.3	I192 R232	I192-G240 CarbonylContact O-C 3.3Å; I192-G240 VanDerWaalsContact O-CA 3.28Å; I192-G240 WeakPolarHBondContact O-CA 3.3Å; R232-G240 WeakPolarHBondContact CD-O 3.38Å
241	V	98.8	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.5	174.3	-62.5	0	0	0	0	111.5	A191 I192 V198 V201 I230 S231 I243	A191-V241 CarbonylContact C-O 3.5Å; A191-V241 WeakPolarHBondContact CA-O 3.12Å; I192-V241 HydrophobicContact CG2-CG2 3.63Å; I192-V241 PolarHBondContact N-O 3.43Å; I192-V241 PolarHBondContact O-N 2.87Å; I192-V241 VanDerWaalsContact O-O 3.09Å; V198-V241 HydrophobicContact CG2-CG1 4.21Å; V201-V241 HydrophobicContact CB-CG2 4.49Å; V201-V241 HydrophobicContact CG1-CG2 4.44Å; V201-V241 HydrophobicContact CG2-CG2 3.77Å; I230-V241 HydrophobicContact CG2-CB 3.67Å; I230-V241 HydrophobicContact CG2-CG1 3.55Å; I230-V241 HydrophobicContact CG2-CG2 3.98Å; S231-V241 CarbonylContact O-C 3.44Å; S231-V241 WeakPolarHBondContact O-CA 3.41Å; S231-V241 WeakPolarHBondContact O-CB 3.31Å; V241-I243 HydrophobicContact CG2-CD1 4.13Å; V241-I243 HydrophobicContact CG2-CG1 3.9Å
242	E	98.8	Very high	98.4	Very high	20 Å²	20	22.1 Å²	22.1	9%	0.093	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.5	161.2	-53.2	-160.6	150.1	0	0	108.6	V189 L190 A191 S231	V189-E242 HydrophobicContact CG1-CB 4.14Å; L190-E242 WeakPolarHBondContact O-CA 3.26Å; A191-E242 HydrophobicContact CB-CB 4.46Å; A191-E242 HydrophobicContact CB-CG 3.73Å; S231-E242 PolarHBondContact N-O 2.85Å; S231-E242 PolarHBondContact O-N 3.28Å
243	I	98.8	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.5	-176.1	-52.7	171.6	0	0	0	108.3	V189 L190 V201 V222 C228 R229 V241 L253 L257	V189-I243 WeakPolarHBondContact CA-O 3.38Å; L190-I243 PolarHBondContact N-O 3.14Å; L190-I243 PolarHBondContact O-N 3.12Å; V201-I243 HydrophobicContact CG1-CD1 4.04Å; V201-I243 HydrophobicContact CG2-CD1 4.03Å; V222-I243 HydrophobicContact CG1-CD1 4.46Å; V222-I243 HydrophobicContact CG2-CG2 4.48Å; C228-I243 HydrophobicContact CB-CG2 4.1Å; R229-I243 CarbonylContact O-C 3.47Å; R229-I243 WeakPolarHBondContact O-CA 3.28Å; V241-I243 HydrophobicContact CG2-CD1 4.13Å; V241-I243 HydrophobicContact CG2-CG1 3.9Å; I243-L253 HydrophobicContact CB-CD2 4.14Å; I243-L253 HydrophobicContact CG2-CD2 3.7Å; I243-L257 HydrophobicContact CD1-CD1 4.34Å
244	S	98.7	Very high	98.4	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.7	168.3	171.5	0	0	0	0	109.2	Q96 R187 A188 C228 R229	Q96-S244 PolarHBondContact OE1-OG 2.84Å; R187-S244 PolarHBondContact NE-OG 3.43Å; R187-S244 VanDerWaalsContact NH2-C 3.3Å; R187-S244 PolarHBondContact NH2-O 3.43Å; R187-S244 PolarHBondContact NH2-OG 2.65Å; A188-S244 WeakPolarHBondContact O-CA 3.27Å; C228-S244 CarbonylContact C-O 3.58Å; C228-S244 VanDerWaalsContact CA-O 3.26Å; C228-S244 WeakPolarHBondContact CA-O 3.28Å; R229-S244 PolarHBondContact N-O 3.38Å; R229-S244 PolarHBondContact O-N 3.41Å
245	V	98.5	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.5	-176.9	67.8	0	0	0	0	110.2	R187 A188 I225 N249 A250 L253	R187-V245 CarbonylContact C-O 3.31Å; R187-V245 WeakPolarHBondContact CA-O 3.39Å; R187-V245 VanDerWaalsContact CZ-C 3.41Å; R187-V245 PolarHBondContact NE-O 2.89Å; A188-V245 HydrophobicContact CB-CG1 3.92Å; A188-V245 PolarHBondContact N-O 2.77Å; A188-V245 PolarHBondContact O-N 3.15Å; I225-V245 HydrophobicContact CG2-CG2 3.79Å; V245-N249 HydrophobicContact CG2-CB 3.91Å; V245-A250 HydrophobicContact CG1-CB 4.42Å; V245-L253 HydrophobicContact CB-CD2 3.97Å; V245-L253 HydrophobicContact CG1-CD2 3.82Å; V245-L253 HydrophobicContact CG2-CD2 4.29Å
246	D	98.1	Very high	98.2	Very high	61 Å²	61	25.9 Å²	25.9	33%	0.326	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136.3	167.4	-173.2	-77.8	0	0	0	110.3	S248 N249 A250	D246-S248 PolarHBondContact O-N 2.89Å; D246-S248 VanDerWaalsContact O-N 3.14Å; D246-S248 VanDerWaalsContact OD1-CB 3.3Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 2.9Å; D246-S248 PolarHBondContact OD1-OG 3.23Å; D246-N249 PolarHBondContact O-N 3.25Å; D246-A250 PolarHBondContact O-N 2.7Å
247	S	97.9	Very high	98.1	Very high	26 Å²	26	25.9 Å²	25.9	18%	0.182	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-55.2	-31.7	-177	-71.1	0	0	0	0	113.7	P46 N186 R187 N249 A250	P46-S247 WeakPolarHBondContact CG-OG 3.41Å; N186-S247 PolarHBondContact O-N 3.17Å; N186-S247 PolarHBondContact O-OG 2.91Å; R187-S247 VanDerWaalsContact C-OG 3.28Å; R187-S247 PolarHBondContact N-OG 3.38Å; S247-N249 PolarHBondContact O-N 3.14Å; S247-A250 WeakPolarHBondContact O-CB 3.38Å; S247-A250 PolarHBondContact O-N 3.01Å
248	S	97.7	Very high	98	Very high	98 Å²	98	27.5 Å²	27.5	69%	0.685	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-65.2	-21.7	177	61.8	0	0	0	0	113.6	D246	D246-S248 PolarHBondContact O-N 2.89Å; D246-S248 VanDerWaalsContact O-N 3.14Å; D246-S248 VanDerWaalsContact OD1-CB 3.3Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 2.9Å; D246-S248 PolarHBondContact OD1-OG 3.23Å
249	N	98.3	Very high	97.6	Very high	50 Å²	50	33.3 Å²	33.3	27%	0.267	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-105	0.7	-179.2	-67.2	-98.1	0	0	0	112.6	I225 V245 D246 S247 V251 S252 L253	I225-N249 HydrophobicContact CD1-CB 4.08Å; I225-N249 HydrophobicContact CG1-CB 4.24Å; I225-N249 HydrophobicContact CG2-CB 3.7Å; V245-N249 HydrophobicContact CG2-CB 3.91Å; D246-N249 PolarHBondContact O-N 3.25Å; S247-N249 PolarHBondContact O-N 3.14Å; N249-V251 PolarHBondContact O-N 2.69Å; N249-S252 PolarHBondContact O-N 2.95Å; N249-L253 WeakPolarHBondContact O-CB 3.25Å; N249-L253 PolarHBondContact O-N 2.81Å
250	A	98.4	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-173.5	0	0	0	0	0	113.5	P46 L47 A188 V245 D246 S247 C254	P46-A250 HydrophobicContact CB-CB 3.92Å; L47-A250 HydrophobicContact CG-CB 4.36Å; A188-A250 HydrophobicContact CB-CB 3.5Å; V245-A250 HydrophobicContact CG1-CB 4.42Å; D246-A250 PolarHBondContact O-N 2.7Å; S247-A250 WeakPolarHBondContact O-CB 3.38Å; S247-A250 PolarHBondContact O-N 3.01Å; A250-C254 WeakPolarHBondContact O-CB 3.26Å; A250-C254 PolarHBondContact O-N 3Å; A250-C254 VanDerWaalsContact O-N 3.07Å
251	V	98.4	Very high	95.3	Very high	54 Å²	54	36 Å²	36	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-51.6	176	177.7	0	0	0	0	110.2	L47 F50 N249 L253 C254 E255	L47-V251 HydrophobicContact CD2-CG2 4.12Å; F50-V251 HydrophobicContact CD2-CG1 4.1Å; N249-V251 PolarHBondContact O-N 2.69Å; V251-L253 VanDerWaalsContact C-N 3.35Å; V251-L253 PolarHBondContact O-N 3.16Å; V251-C254 WeakPolarHBondContact O-CA 3.48Å; V251-C254 VanDerWaalsContact O-CB 3.28Å; V251-C254 WeakPolarHBondContact O-CB 3.3Å; V251-C254 PolarHBondContact O-N 3.12Å; V251-E255 HydrophobicContact CG1-CG 4.38Å; V251-E255 WeakPolarHBondContact O-CG 3.2Å; V251-E255 PolarHBondContact O-N 3.3Å
252	S	97.7	Very high	93.8	Very high	48 Å²	48	40.2 Å²	40.2	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-42.3	179.8	-169.2	0	0	0	0	112.1	N249 C254 E255 Q256	N249-S252 PolarHBondContact O-N 2.95Å; S252-C254 VanDerWaalsContact C-N 3.32Å; S252-C254 PolarHBondContact O-N 3.31Å; S252-E255 PolarHBondContact O-N 3.4Å; S252-Q256 WeakPolarHBondContact O-CB 3.33Å; S252-Q256 WeakPolarHBondContact O-CG 3.38Å; S252-Q256 PolarHBondContact O-N 3Å
253	L	98.3	Very high	92.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-42.3	174.1	-179.7	61.1	0	0	0	111.9	L190 V222 F223 I225 I243 V245 N249 V251 Q256 L257	L190-L253 HydrophobicContact CD1-CB 4.25Å; L190-L253 HydrophobicContact CD1-CD2 4.06Å; L190-L253 HydrophobicContact CD1-CG 3.96Å; V222-L253 HydrophobicContact CB-CD1 4.46Å; V222-L253 HydrophobicContact CG1-CD1 3.55Å; F223-L253 HydrophobicContact CD2-CD1 4.14Å; I225-L253 HydrophobicContact CD1-CB 3.78Å; I225-L253 HydrophobicContact CD1-CD1 4.25Å; I243-L253 HydrophobicContact CB-CD2 4.14Å; I243-L253 HydrophobicContact CG2-CD2 3.7Å; V245-L253 HydrophobicContact CB-CD2 3.97Å; V245-L253 HydrophobicContact CG1-CD2 3.82Å; V245-L253 HydrophobicContact CG2-CD2 4.29Å; N249-L253 WeakPolarHBondContact O-CB 3.25Å; N249-L253 PolarHBondContact O-N 2.81Å; V251-L253 VanDerWaalsContact C-N 3.35Å; V251-L253 PolarHBondContact O-N 3.16Å; L253-Q256 PolarHBondContact O-N 3.48Å; L253-L257 HydrophobicContact CD1-CD1 4.06Å; L253-L257 HydrophobicContact CD1-CG 4.23Å; L253-L257 HydrophobicContact CG-CD1 3.94Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 WeakPolarHBondContact O-CD1 3.48Å; L253-L257 WeakPolarHBondContact O-CG 3.23Å; L253-L257 PolarHBondContact O-N 3.43Å
254	C	98	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-48.1	177.5	-158.3	0	0	0	0	111.5	L47 F50 L190 A250 V251 S252 Q256 L257 L258	L47-C254 HydrophobicContact CD2-CB 3.81Å; F50-C254 VanDerWaalsContact CE1-SG 3.54Å; F50-C254 HydrophobicContact CE2-CB 4.41Å; F50-C254 HydrophobicContact CZ-CB 4.22Å; F50-C254 VanDerWaalsContact CZ-SG 3.56Å; L190-C254 HydrophobicContact CD1-CB 3.8Å; A250-C254 WeakPolarHBondContact O-CB 3.26Å; A250-C254 PolarHBondContact O-N 3Å; A250-C254 VanDerWaalsContact O-N 3.07Å; V251-C254 WeakPolarHBondContact O-CA 3.48Å; V251-C254 VanDerWaalsContact O-CB 3.28Å; V251-C254 WeakPolarHBondContact O-CB 3.3Å; V251-C254 PolarHBondContact O-N 3.12Å; S252-C254 VanDerWaalsContact C-N 3.32Å; S252-C254 PolarHBondContact O-N 3.31Å; C254-Q256 PolarHBondContact O-N 2.94Å; C254-L257 PolarHBondContact O-N 2.86Å; C254-L258 WeakPolarHBondContact O-CG 3.38Å; C254-L258 PolarHBondContact O-N 2.84Å
255	E	96.9	Very high	91	Very high	83 Å²	83	52 Å²	52	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-41.2	177.8	-68.1	170.1	154.3	0	0	112.4	F50 V251 S252 L258 N259	F50-E255 HydrophobicContact CE2-CG 3.91Å; V251-E255 HydrophobicContact CG1-CG 4.38Å; V251-E255 WeakPolarHBondContact O-CG 3.2Å; V251-E255 PolarHBondContact O-N 3.3Å; S252-E255 PolarHBondContact O-N 3.4Å; E255-L258 PolarHBondContact O-N 2.79Å; E255-N259 VanDerWaalsContact O-CB 3.27Å; E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 3.38Å; E255-N259 PolarHBondContact O-ND2 2.91Å
256	Q	96.5	Very high	90.9	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-39.1	177.6	-65.9	-80.1	-44	0	0	111.4	F223 S252 L253 C254 N260	F223-Q256 HydrophobicContact CB-CB 3.81Å; F223-Q256 HydrophobicContact CB-CG 3.89Å; F223-Q256 HydrophobicContact CD1-CB 3.98Å; F223-Q256 HydrophobicContact CD2-CB 3.77Å; F223-Q256 HydrophobicContact CE2-CB 4.36Å; F223-Q256 HydrophobicContact CG-CB 3.57Å; F223-Q256 HydrophobicContact CG-CG 4.2Å; S252-Q256 WeakPolarHBondContact O-CB 3.33Å; S252-Q256 WeakPolarHBondContact O-CG 3.38Å; S252-Q256 PolarHBondContact O-N 3Å; L253-Q256 PolarHBondContact O-N 3.48Å; C254-Q256 PolarHBondContact O-N 2.94Å; Q256-N260 VanDerWaalsContact O-CB 3.29Å; Q256-N260 WeakPolarHBondContact O-CB 3.47Å; Q256-N260 PolarHBondContact O-N 2.91Å; Q256-N260 PolarHBondContact O-ND2 3.1Å; Q256-N260 VanDerWaalsContact O-ND2 3.09Å; Q256-N260 PolarHBondContact OE1-ND2 3.26Å
257	L	96.6	Very high	90.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-33.8	175.9	-72.6	166.4	0	0	0	113.2	I88 L190 I192 V200 V201 F223 I243 L253 C254	I88-L257 HydrophobicContact CD1-CB 3.53Å; I88-L257 HydrophobicContact CD1-CD1 4.35Å; I88-L257 HydrophobicContact CG1-CB 4.46Å; L190-L257 HydrophobicContact CD1-CD1 4.16Å; I192-L257 HydrophobicContact CD1-CD2 4.02Å; V200-L257 HydrophobicContact CG1-CD2 4.21Å; V200-L257 WeakPolarHBondContact CG1-O 3.47Å; V201-L257 HydrophobicContact CG2-CD2 3.8Å; F223-L257 HydrophobicContact CE2-CD2 3.71Å; F223-L257 HydrophobicContact CE2-CG 4.12Å; I243-L257 HydrophobicContact CD1-CD1 4.34Å; L253-L257 HydrophobicContact CD1-CD1 4.06Å; L253-L257 HydrophobicContact CD1-CG 4.23Å; L253-L257 HydrophobicContact CG-CD1 3.94Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 WeakPolarHBondContact O-CD1 3.48Å; L253-L257 WeakPolarHBondContact O-CG 3.23Å; L253-L257 PolarHBondContact O-N 3.43Å; C254-L257 PolarHBondContact O-N 2.86Å
258	L	95.4	Very high	90.9	Very high	33 Å²	33	52 Å²	52	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-75.9	-45.5	176.3	-71.9	167.7	0	0	0	112.5	F50 I88 C254 E255 V266 M268	F50-L258 HydrophobicContact CZ-CD1 3.68Å; I88-L258 HydrophobicContact CD1-CD2 3.8Å; I88-L258 HydrophobicContact CD1-CG 3.74Å; C254-L258 WeakPolarHBondContact O-CG 3.38Å; C254-L258 PolarHBondContact O-N 2.84Å; E255-L258 PolarHBondContact O-N 2.79Å; L258-V266 HydrophobicContact CD2-CB 4.37Å; L258-V266 HydrophobicContact CD2-CG1 4.1Å; L258-M268 HydrophobicContact CD1-CG 4.29Å; L258-M268 HydrophobicContact CD1-SD 4.03Å; L258-M268 HydrophobicContact CD2-CG 4.44Å; L258-M268 HydrophobicContact CD2-SD 4.29Å; L258-M268 HydrophobicContact CG-SD 4.48Å
259	N	91.3	Very high	91	Very high	128 Å²	128	47.3 Å²	47.3	68%	0.684	26%	0.261	S	S	*	.	H	α-helix	trans	-95	-29.2	-163.9	-64.9	-56.3	0	0	0	115	E255 S261	E255-N259 VanDerWaalsContact O-CB 3.27Å; E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 3.38Å; E255-N259 PolarHBondContact O-ND2 2.91Å; N259-S261 VanDerWaalsContact C-N 3.28Å; N259-S261 PolarHBondContact O-N 2.84Å
260	N	78.4	Confident	91	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.353	25%	0.25	S	C	.	.	S	Bend	trans	-76	-17.5	-176.9	-69.1	-36.5	0	0	0	113.7	F223 Q256 A262	F223-N260 WeakPolarHBondContact CD1-ND2 3.48Å; F223-N260 HydrophobicContact CE1-CB 4Å; F223-N260 WeakPolarHBondContact CE1-ND2 3.4Å; Q256-N260 VanDerWaalsContact O-CB 3.29Å; Q256-N260 WeakPolarHBondContact O-CB 3.47Å; Q256-N260 PolarHBondContact O-N 2.91Å; Q256-N260 PolarHBondContact O-ND2 3.1Å; Q256-N260 VanDerWaalsContact O-ND2 3.09Å; Q256-N260 PolarHBondContact OE1-ND2 3.26Å; N260-A262 PolarHBondContact O-N 3.28Å
261	S	70.9	Confident	91	Very high	15 Å²	15	46.4 Å²	46.4	11%	0.105	26%	0.256	C	S	.	.			trans	-67.2	88.7	-176.7	173	0	0	0	0	111.8	N259 K263 T264	N259-S261 VanDerWaalsContact C-N 3.28Å; N259-S261 PolarHBondContact O-N 2.84Å; S261-K263 PolarHBondContact O-N 2.98Å; S261-T264 WeakPolarHBondContact OG-CA 3.23Å; S261-T264 WeakPolarHBondContact OG-CB 3.37Å; S261-T264 PolarHBondContact OG-N 3.5Å; S261-T264 PolarHBondContact OG-O 3.29Å
262	A	65.8	Low	90.9	Very high	88 Å²	88	44.6 Å²	44.6	73%	0.727	25%	0.249	S	C	*	.	S	Bend	trans	-68.6	-5.1	-176.1	0	0	0	0	0	114.5	N260	N260-A262 PolarHBondContact O-N 3.28Å
263	K	73.3	Confident	91	Very high	197 Å²	197	42.4 Å²	42.4	86%	0.857	23%	0.233	S	C	*	.	S	Bend	trans	-141	-25.1	-175.5	-65	-175.7	-177.8	175.1	0	115.8	S261	S261-K263 PolarHBondContact O-N 2.98Å
264	T	77.9	Confident	91	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.086	24%	0.239	C	C	.	.	S	Bend	trans	-94.5	131.6	175.6	-46.1	0	0	0	0	109	H85 A86 E196 V200 S261 V266	H85-T264 HydrophobicContact CB-CG2 3.98Å; A86-T264 HydrophobicContact CB-CG2 4.04Å; E196-T264 HydrophobicContact CB-CG2 3.5Å; E196-T264 HydrophobicContact CG-CG2 4.2Å; V200-T264 HydrophobicContact CG2-CG2 4.35Å; S261-T264 WeakPolarHBondContact OG-CA 3.23Å; S261-T264 WeakPolarHBondContact OG-CB 3.37Å; S261-T264 PolarHBondContact OG-N 3.5Å; S261-T264 PolarHBondContact OG-O 3.29Å; T264-V266 HydrophobicContact CG2-CG2 4.11Å; T264-V266 PolarHBondContact O-N 3.11Å; T264-V266 VanDerWaalsContact O-N 3.14Å
265	S	87.5	Confident	91	Very high	64 Å²	64	46.7 Å²	46.7	45%	0.448	25%	0.254	S	S	.	.			trans	-72.5	105	160.7	-179.7	0	0	0	0	107.2	H81 H85	H81-S265 PolarHBondContact CE1-O 3.42Å; H81-S265 PolarHBondContact NE2-O 3.2Å; H81-S265 VanDerWaalsContact NE2-O 3.13Å; H85-S265 WeakPolarHBondContact CB-O 3.24Å
266	V	96.8	Very high	91.1	Very high	15 Å²	15	43 Å²	43	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.7	173.9	-170.2	0	0	0	0	108.2	A86 I88 I192 V200 L258 T264	A86-V266 HydrophobicContact CB-CG1 4.42Å; A86-V266 HydrophobicContact CB-CG2 4.38Å; A86-V266 WeakPolarHBondContact O-CA 3.29Å; I88-V266 HydrophobicContact CD1-CG1 3.85Å; I88-V266 HydrophobicContact CG1-CG1 3.84Å; I192-V266 HydrophobicContact CD1-CG1 4.1Å; V200-V266 HydrophobicContact CG1-CG2 4.18Å; V200-V266 HydrophobicContact CG2-CG2 3.77Å; L258-V266 HydrophobicContact CD2-CB 4.37Å; L258-V266 HydrophobicContact CD2-CG1 4.1Å; T264-V266 HydrophobicContact CG2-CG2 4.11Å; T264-V266 PolarHBondContact O-N 3.11Å; T264-V266 VanDerWaalsContact O-N 3.14Å
267	K	97	Very high	91.2	Very high	60 Å²	60	39.8 Å²	39.8	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.3	176.6	-70.5	-170.5	170.8	-142	0	112.6	D72 H81 A86 S87 I88	D72-K267 IonicContact OD2-NZ 3.58Å; D72-K267 PolarHBondContact OD2-NZ 3.35Å; H81-K267 WeakPolarHBondContact NE2-CB 3.28Å; H81-K267 WeakPolarHBondContact NE2-CG 3.09Å; A86-K267 PolarHBondContact O-N 2.8Å; S87-K267 CarbonylContact C-O 3.56Å; S87-K267 VanDerWaalsContact CA-O 3.25Å; S87-K267 WeakPolarHBondContact CA-O 3.46Å; I88-K267 PolarHBondContact N-O 2.82Å
268	M	98.2	Very high	91.3	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.049	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.5	163.1	-60.8	-57.7	-65.6	0	0	110.5	F50 Y70 Q73 I88 L258	F50-M268 HydrophobicContact CE1-CE 4.04Å; F50-M268 HydrophobicContact CE1-CG 4.22Å; F50-M268 HydrophobicContact CE1-SD 3.98Å; F50-M268 HydrophobicContact CZ-SD 4.48Å; Y70-M268 HydrophobicContact CD1-CB 3.97Å; Y70-M268 HydrophobicContact CD2-CB 3.89Å; Y70-M268 HydrophobicContact CE1-CB 3.59Å; Y70-M268 HydrophobicContact CE1-CG 4.05Å; Y70-M268 HydrophobicContact CE2-CB 3.53Å; Y70-M268 HydrophobicContact CG-CB 4.12Å; Y70-M268 WeakPolarHBondContact OH-CE 3.24Å; Q73-M268 PolarHBondContact NE2-O 3.11Å; I88-M268 HydrophobicContact CB-CE 4.37Å; I88-M268 HydrophobicContact CB-SD 3.8Å; I88-M268 HydrophobicContact CD1-SD 4.28Å; I88-M268 HydrophobicContact CG2-CE 4.07Å; I88-M268 HydrophobicContact CG2-SD 3.96Å; L258-M268 HydrophobicContact CD1-CG 4.29Å; L258-M268 HydrophobicContact CD1-SD 4.03Å; L258-M268 HydrophobicContact CD2-CG 4.44Å; L258-M268 HydrophobicContact CD2-SD 4.29Å; L258-M268 HydrophobicContact CG-SD 4.48Å
269	A	98.7	Very high	91.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	22%	0.215	C	C	.	.			trans	-135.4	142.4	175.6	0	0	0	0	0	111.7	S78 I88 F89 A273	S78-A269 WeakPolarHBondContact OG-CB 3.37Å; I88-A269 PolarHBondContact O-N 2.98Å; F89-A269 HydrophobicContact CD1-CB 3.85Å; F89-A269 WeakPolarHBondContact CD1-O 3.41Å; F89-A269 HydrophobicContact CD2-CB 4.47Å; F89-A269 HydrophobicContact CE1-CB 3.33Å; F89-A269 HydrophobicContact CE2-CB 4.02Å; F89-A269 HydrophobicContact CG-CB 4.39Å; F89-A269 HydrophobicContact CZ-CB 3.42Å; F89-A269 VanDerWaalsContact CZ-CB 3.42Å; A269-A273 HydrophobicContact CB-CB 4.24Å
270	G	98.4	Very high	91.9	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	18%	0.182	C	C	.	.			trans	-102.2	176.9	-173.3	0	0	0	0	0	114.3	P67 V68 G272 A273 R274	P67-G270 CarbonylContact O-C 3.57Å; P67-G270 WeakPolarHBondContact O-CA 3.35Å; V68-G270 CarbonylContact O-C 3.59Å; G270-G272 PolarHBondContact O-N 2.62Å; G270-G272 VanDerWaalsContact O-N 3.12Å; G270-A273 WeakPolarHBondContact O-CB 3.42Å; G270-A273 PolarHBondContact O-N 3.16Å; G270-R274 PolarHBondContact O-N 3.3Å; G270-R274 VanDerWaalsContact O-N 3.07Å
271	L	98.2	Very high	92.8	Very high	27 Å²	27	29.1 Å²	29.1	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-52.9	-34.7	-179.2	-65	173.8	0	0	0	113.6	V59 F61 M66 P67 V68 A273 R274 D275	V59-L271 HydrophobicContact CG2-CD1 4.18Å; F61-L271 HydrophobicContact CB-CD1 3.61Å; F61-L271 HydrophobicContact CD1-CD1 3.96Å; F61-L271 HydrophobicContact CD1-CD2 4.05Å; F61-L271 HydrophobicContact CD2-CD1 3.7Å; F61-L271 HydrophobicContact CE1-CD2 4.02Å; F61-L271 HydrophobicContact CE2-CD1 4.35Å; F61-L271 HydrophobicContact CG-CD1 3.48Å; F61-L271 VanDerWaalsContact CG-CD1 3.48Å; F61-L271 HydrophobicContact CG-CD2 4.37Å; F61-L271 HydrophobicContact CZ-CD2 4.31Å; M66-L271 HydrophobicContact CB-CD1 3.76Å; M66-L271 HydrophobicContact CB-CG 4.25Å; P67-L271 PolarHBondContact O-N 3.39Å; V68-L271 HydrophobicContact CG2-CB 4.39Å; V68-L271 PolarHBondContact O-N 3.49Å; L271-A273 PolarHBondContact O-N 3.03Å; L271-R274 PolarHBondContact O-N 3.48Å; L271-D275 PolarHBondContact O-N 2.84Å
272	G	98.1	Very high	94.1	Very high	17 Å²	17	29 Å²	29	18%	0.175	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-33.8	178	0	0	0	0	0	113.7	V68 I75 G270 S276	V68-G272 PolarHBondContact O-N 2.81Å; V68-G272 VanDerWaalsContact O-N 3.07Å; I75-G272 VanDerWaalsContact CG2-C 3.43Å; I75-G272 VanDerWaalsContact CG2-O 3.28Å; I75-G272 WeakPolarHBondContact CG2-O 3.36Å; G270-G272 PolarHBondContact O-N 2.62Å; G270-G272 VanDerWaalsContact O-N 3.12Å; G272-S276 PolarHBondContact O-N 2.97Å; G272-S276 PolarHBondContact O-OG 2.93Å
273	A	98.7	Very high	95.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-72	-44.3	171.4	0	0	0	0	0	110.1	F89 A269 G270 L271 D275 S276 L277	F89-A273 HydrophobicContact CE1-CB 4.14Å; F89-A273 HydrophobicContact CZ-CB 4.47Å; A269-A273 HydrophobicContact CB-CB 4.24Å; G270-A273 WeakPolarHBondContact O-CB 3.42Å; G270-A273 PolarHBondContact O-N 3.16Å; L271-A273 PolarHBondContact O-N 3.03Å; A273-D275 PolarHBondContact O-N 3.12Å; A273-S276 PolarHBondContact O-N 2.91Å; A273-S276 PolarHBondContact O-OG 3.26Å; A273-S276 VanDerWaalsContact O-OG 3.08Å; A273-L277 HydrophobicContact CB-CD1 4.44Å; A273-L277 WeakPolarHBondContact O-CB 3.34Å; A273-L277 WeakPolarHBondContact O-CD1 3.3Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 3.31Å
274	R	98.8	Very high	96.9	Very high	31 Å²	31	17.4 Å²	17.4	12%	0.117	10%	0.103	C	C	.	.	H	α-helix	trans	-55.6	-47.7	177.8	-172.3	173.9	174.7	88.9	-5.9	112.3	F89 Y235 G270 L271 R278	F89-R274 HydrophobicContact CD1-CB 4.01Å; F89-R274 HydrophobicContact CE1-CB 3.85Å; Y235-R274 HydrophobicContact CD1-CG 3.87Å; Y235-R274 HydrophobicContact CE1-CG 4.46Å; G270-R274 PolarHBondContact O-N 3.3Å; G270-R274 VanDerWaalsContact O-N 3.07Å; L271-R274 PolarHBondContact O-N 3.48Å; R274-R278 WeakPolarHBondContact O-CB 3.26Å; R274-R278 VanDerWaalsContact O-CG 3.23Å; R274-R278 WeakPolarHBondContact O-CG 3.45Å; R274-R278 PolarHBondContact O-N 3.13Å
275	D	98.5	Very high	97.9	Very high	60 Å²	60	18.6 Å²	18.6	32%	0.321	11%	0.108	S	C	.	.	H	α-helix	trans	-69.3	-34.4	-179.1	-174.4	52.4	0	0	0	113.9	L271 A273 R278 L279	L271-D275 PolarHBondContact O-N 2.84Å; A273-D275 PolarHBondContact O-N 3.12Å; D275-R278 WeakPolarHBondContact O-CG 3.24Å; D275-R278 PolarHBondContact O-NE 2.81Å; D275-R278 IonicContact OD1-CZ 2.77Å; D275-R278 VanDerWaalsContact OD1-CZ 3.22Å; D275-R278 IonicContact OD1-NE 2.79Å; D275-R278 PolarHBondContact OD1-NE 3.26Å; D275-R278 IonicContact OD1-NH2 2.77Å; D275-R278 PolarHBondContact OD1-NH2 3.35Å; D275-L279 VanDerWaalsContact O-CB 3.28Å; D275-L279 WeakPolarHBondContact O-CB 3.41Å; D275-L279 PolarHBondContact O-N 2.97Å
276	S	98.6	Very high	98.4	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-75.7	-38	175.7	52.8	0	0	0	0	112.4	H79 G272 A273 E280	H79-S276 VanDerWaalsContact CE1-C 3.5Å; H79-S276 PolarHBondContact CE1-O 2.96Å; H79-S276 WeakPolarHBondContact ND1-CB 3.25Å; H79-S276 PolarHBondContact ND1-OG 3.19Å; G272-S276 PolarHBondContact O-N 2.97Å; G272-S276 PolarHBondContact O-OG 2.93Å; A273-S276 PolarHBondContact O-N 2.91Å; A273-S276 PolarHBondContact O-OG 3.26Å; A273-S276 VanDerWaalsContact O-OG 3.08Å; S276-E280 PolarHBondContact O-N 3.11Å; S276-E280 VanDerWaalsContact O-N 3.15Å
277	L	98.9	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.5	-49.6	176	-73.1	163	0	0	0	111.9	H79 T82 R83 F89 T236 A273 L279 E280 A281	H79-L277 PolarHBondContact ND1-N 2.95Å; T82-L277 HydrophobicContact CG2-CD1 3.62Å; T82-L277 HydrophobicContact CG2-CD2 4.33Å; R83-L277 HydrophobicContact CG-CD2 3.78Å; R83-L277 PolarHBondContact NH2-O 3.32Å; F89-L277 HydrophobicContact CE1-CD1 4.45Å; F89-L277 HydrophobicContact CE2-CD1 4.44Å; F89-L277 HydrophobicContact CZ-CD1 3.64Å; T236-L277 HydrophobicContact CG2-CB 4.28Å; T236-L277 HydrophobicContact CG2-CD1 3.97Å; A273-L277 HydrophobicContact CB-CD1 4.44Å; A273-L277 WeakPolarHBondContact O-CB 3.34Å; A273-L277 WeakPolarHBondContact O-CD1 3.3Å; A273-L277 WeakPolarHBondContact O-CG 3.49Å; A273-L277 PolarHBondContact O-N 3.31Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.21Å; L277-E280 PolarHBondContact O-N 2.67Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.11Å; L277-A281 PolarHBondContact O-N 3.49Å
278	R	98.8	Very high	98.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-38.1	179.9	74.3	87.3	-168.9	-179.2	-6.4	112	Y235 R274 D275 A281 G282 L283 D289 S363	Y235-R278 HydrophobicContact CD1-CB 3.56Å; Y235-R278 HydrophobicContact CD1-CG 3.99Å; Y235-R278 HydrophobicContact CD2-CB 4.25Å; Y235-R278 HydrophobicContact CE1-CB 3.48Å; Y235-R278 VanDerWaalsContact CE1-CB 3.48Å; Y235-R278 HydrophobicContact CE1-CG 3.42Å; Y235-R278 VanDerWaalsContact CE1-CG 3.42Å; Y235-R278 HydrophobicContact CE2-CB 4.14Å; Y235-R278 HydrophobicContact CG-CB 3.98Å; Y235-R278 VanDerWaalsContact O-CB 3.29Å; Y235-R278 WeakPolarHBondContact O-CB 3.37Å; Y235-R278 WeakPolarHBondContact OH-CD 3.29Å; R274-R278 WeakPolarHBondContact O-CB 3.26Å; R274-R278 VanDerWaalsContact O-CG 3.23Å; R274-R278 WeakPolarHBondContact O-CG 3.45Å; R274-R278 PolarHBondContact O-N 3.13Å; D275-R278 WeakPolarHBondContact O-CG 3.24Å; D275-R278 PolarHBondContact O-NE 2.81Å; D275-R278 IonicContact OD1-CZ 2.77Å; D275-R278 VanDerWaalsContact OD1-CZ 3.22Å; D275-R278 IonicContact OD1-NE 2.79Å; D275-R278 PolarHBondContact OD1-NE 3.26Å; D275-R278 IonicContact OD1-NH2 2.77Å; D275-R278 PolarHBondContact OD1-NH2 3.35Å; R278-A281 CarbonylContact O-C 3.49Å; R278-A281 PolarHBondContact O-N 3.11Å; R278-G282 PolarHBondContact O-N 3.16Å; R278-G282 VanDerWaalsContact O-N 3.12Å; R278-L283 HydrophobicContact CB-CB 4.19Å; R278-L283 HydrophobicContact CB-CD1 4.31Å; R278-L283 VanDerWaalsContact CD-O 3.29Å; R278-L283 WeakPolarHBondContact CD-O 3.33Å; R278-L283 PolarHBondContact NH1-O 3.24Å; R278-L283 WeakPolarHBondContact O-CB 3.32Å; R278-L283 PolarHBondContact O-N 3.41Å; R278-D289 IonicContact CZ-OD2 3.74Å; R278-D289 IonicContact NH1-OD2 3.88Å; R278-D289 PolarHBondContact NH1-OD2 2.8Å; R278-D289 IonicContact NH2-OD2 3.27Å; R278-S363 VanDerWaalsContact NH2-CB 3.33Å; R278-S363 PolarHBondContact NH2-OG 2.83Å
279	L	98.8	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.9	-44.8	-178.1	-176.4	61.8	0	0	0	110.9	D275 L277 A281 G282 I374 F376 F411	D275-L279 VanDerWaalsContact O-CB 3.28Å; D275-L279 WeakPolarHBondContact O-CB 3.41Å; D275-L279 PolarHBondContact O-N 2.97Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.21Å; L279-A281 VanDerWaalsContact C-N 3.27Å; L279-A281 PolarHBondContact O-N 2.6Å; L279-G282 PolarHBondContact O-N 3.18Å; L279-I374 HydrophobicContact CB-CD1 4.29Å; L279-I374 HydrophobicContact CD2-CD1 4.16Å; L279-I374 HydrophobicContact CD2-CG1 3.96Å; L279-I374 HydrophobicContact CG-CD1 3.86Å; L279-I374 HydrophobicContact CG-CG1 4.16Å; L279-F376 HydrophobicContact CD1-CD1 4.21Å; L279-F376 HydrophobicContact CD1-CD2 3.46Å; L279-F376 VanDerWaalsContact CD1-CD2 3.46Å; L279-F376 HydrophobicContact CD1-CE1 4.22Å; L279-F376 HydrophobicContact CD1-CE2 3.53Å; L279-F376 HydrophobicContact CD1-CG 3.82Å; L279-F376 HydrophobicContact CD1-CZ 3.9Å; L279-F411 WeakPolarHBondContact O-CD2 3.18Å; L279-F411 VanDerWaalsContact O-CE2 3.32Å; L279-F411 WeakPolarHBondContact O-CE2 3.29Å
280	E	98.8	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-41.9	169.6	-84.9	-174.8	-173.8	0	0	111.9	H79 R83 S276 L277 G282 S367 P368 V369 I374 F411 V412	H79-E280 IonicContact CE1-OE1 3.93Å; H79-E280 PolarHBondContact CE1-OE1 3.01Å; H79-E280 IonicContact CE1-OE2 3.67Å; H79-E280 PolarHBondContact CE1-OE2 3.48Å; H79-E280 VanDerWaalsContact CE1-OE2 3.23Å; H79-E280 VanDerWaalsContact NE2-CD 3.3Å; H79-E280 IonicContact NE2-OE1 3.08Å; H79-E280 PolarHBondContact NE2-OE1 3.31Å; H79-E280 IonicContact NE2-OE2 3.22Å; H79-E280 PolarHBondContact NE2-OE2 2.94Å; R83-E280 IonicContact CZ-OE2 3.09Å; R83-E280 VanDerWaalsContact CZ-OE2 3.26Å; R83-E280 IonicContact NE-OE2 3.47Å; R83-E280 PolarHBondContact NE-OE2 2.98Å; R83-E280 IonicContact NH2-OE2 3.35Å; R83-E280 PolarHBondContact NH2-OE2 3.05Å; S276-E280 PolarHBondContact O-N 3.11Å; S276-E280 VanDerWaalsContact O-N 3.15Å; L277-E280 PolarHBondContact O-N 2.67Å; E280-G282 PolarHBondContact O-N 2.88Å; E280-G282 VanDerWaalsContact O-N 3.16Å; E280-S367 WeakPolarHBondContact OE1-CA 3.42Å; E280-S367 VanDerWaalsContact OE1-CB 3.3Å; E280-S367 WeakPolarHBondContact OE1-CB 3.41Å; E280-S367 PolarHBondContact OE1-OG 2.92Å; E280-P368 VanDerWaalsContact OE1-CD 3.31Å; E280-P368 WeakPolarHBondContact OE1-CD 3.46Å; E280-V369 PolarHBondContact OE1-N 2.86Å; E280-V369 VanDerWaalsContact OE2-CG2 3.26Å; E280-V369 WeakPolarHBondContact OE2-CG2 3.5Å; E280-I374 HydrophobicContact CB-CD1 4.1Å; E280-I374 HydrophobicContact CG-CD1 3.45Å; E280-I374 VanDerWaalsContact CG-CD1 3.45Å; E280-F411 PolarHBondContact O-N 3.02Å; E280-V412 HydrophobicContact CB-CB 4.31Å; E280-V412 HydrophobicContact CB-CG2 4.04Å; E280-V412 HydrophobicContact CG-CG2 4.01Å; E280-V412 PolarHBondContact O-N 2.86Å; E280-V412 VanDerWaalsContact O-N 3.15Å; E280-V412 WeakPolarHBondContact OE2-CG2 3.16Å
281	A	98.7	Very high	98.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	6.4	175.2	0	0	0	0	0	114.3	T236 L277 R278 L279 L283 P410 H414	T236-A281 WeakPolarHBondContact O-CB 3.39Å; L277-A281 VanDerWaalsContact O-CB 3.26Å; L277-A281 WeakPolarHBondContact O-CB 3.11Å; L277-A281 PolarHBondContact O-N 3.49Å; R278-A281 CarbonylContact O-C 3.49Å; R278-A281 PolarHBondContact O-N 3.11Å; L279-A281 VanDerWaalsContact C-N 3.27Å; L279-A281 PolarHBondContact O-N 2.6Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 HydrophobicContact CB-CD1 4.2Å; A281-L283 HydrophobicContact CB-CG 4.02Å; A281-L283 PolarHBondContact O-N 3.06Å; A281-P410 VanDerWaalsContact C-CB 3.47Å; A281-P410 WeakPolarHBondContact O-CB 3.45Å; A281-H414 PolarHBondContact O-NE2 3.06Å
282	G	98.5	Very high	98.4	Very high	13 Å²	13	23 Å²	23	13%	0.134	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	10.5	172.7	0	0	0	0	0	115.4	R278 L279 E280 F376	R278-G282 PolarHBondContact O-N 3.16Å; R278-G282 VanDerWaalsContact O-N 3.12Å; L279-G282 PolarHBondContact O-N 3.18Å; E280-G282 PolarHBondContact O-N 2.88Å; E280-G282 VanDerWaalsContact O-N 3.16Å; G282-F376 WeakPolarHBondContact O-CZ 3.42Å
283	L	98.7	Very high	98.4	Very high	34 Å²	34	27.2 Å²	27.2	18%	0.178	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-88.4	134.5	-171	-50.5	179.7	0	0	0	112.1	Y235 R278 A281 F376	Y235-L283 HydrophobicContact CD2-CB 4.17Å; Y235-L283 HydrophobicContact CD2-CD1 3.71Å; Y235-L283 HydrophobicContact CE2-CB 3.84Å; Y235-L283 HydrophobicContact CE2-CD1 4.26Å; Y235-L283 HydrophobicContact CG-CD1 4.27Å; R278-L283 HydrophobicContact CB-CB 4.19Å; R278-L283 HydrophobicContact CB-CD1 4.31Å; R278-L283 VanDerWaalsContact CD-O 3.29Å; R278-L283 WeakPolarHBondContact CD-O 3.33Å; R278-L283 PolarHBondContact NH1-O 3.24Å; R278-L283 WeakPolarHBondContact O-CB 3.32Å; R278-L283 PolarHBondContact O-N 3.41Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 HydrophobicContact CB-CD1 4.2Å; A281-L283 HydrophobicContact CB-CG 4.02Å; A281-L283 PolarHBondContact O-N 3.06Å; L283-F376 WeakPolarHBondContact O-CE2 3.43Å
284	C	98.6	Very high	98.4	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.054	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75.6	141.7	-179.6	-56.2	0	0	0	0	111.1	Y235 D289 M290 R333	Y235-C284 PolarHBondContact OH-O 3.28Å; C284-D289 HydrophobicContact CB-CB 4.09Å; C284-M290 HydrophobicContact CB-CE 3.58Å; C284-M290 HydrophobicContact CB-CG 4.45Å; C284-M290 HydrophobicContact CB-SD 3.63Å; C284-R333 PolarHBondContact SG-NE 2.83Å; C284-R333 PolarHBondContact SG-NH2 2.91Å; C284-R333 VanDerWaalsContact SG-NH2 3.38Å
285	L	98.2	Very high	98.4	Very high	39 Å²	39	26.2 Å²	26.2	20%	0.204	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-103.2	120	168.4	174.9	62.5	0	0	0	109.2	Y235 N288 D289	Y235-L285 WeakPolarHBondContact OH-CA 3.28Å; L285-N288 HydrophobicContact CB-CB 4.15Å; L285-N288 HydrophobicContact CD2-CB 4.03Å; L285-N288 HydrophobicContact CG-CB 4.08Å; L285-N288 PolarHBondContact O-N 3.1Å; L285-N288 VanDerWaalsContact O-N 3.16Å; L285-D289 PolarHBondContact N-OD2 3.42Å; L285-D289 PolarHBondContact O-N 3.49Å
286	Y	98.2	Very high	98.4	Very high	36 Å²	36	23.4 Å²	23.4	14%	0.141	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-58.5	142.3	174.6	-171.8	-89.7	0	0	0	111.6	I136 K137 D138 C157 N288 M290 D292	I136-Y286 HydrophobicContact CG2-CD2 4.16Å; I136-Y286 HydrophobicContact CG2-CE2 4.05Å; I136-Y286 WeakPolarHBondContact O-CE2 3.28Å; I136-Y286 PolarHBondContact O-OH 2.84Å; K137-Y286 WeakPolarHBondContact O-CE2 3.29Å; K137-Y286 PolarHBondContact O-OH 3.13Å; D138-Y286 VanDerWaalsContact OD1-CG 3.26Å; C157-Y286 WeakPolarHBondContact SG-CD1 3.41Å; Y286-N288 PolarHBondContact O-N 2.87Å; Y286-M290 HydrophobicContact CD2-CG 4.03Å; Y286-D292 PolarHBondContact OH-N 3.05Å; Y286-D292 PolarHBondContact OH-OD2 3.17Å; Y286-D292 VanDerWaalsContact OH-OD2 3.07Å
287	G	96.2	Very high	98.4	Very high	55 Å²	55	23.3 Å²	23.3	57%	0.567	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-11.3	-175.4	0	0	0	0	0	114.4	M290	G287-M290 PolarHBondContact N-O 2.97Å
288	N	97.6	Very high	98.4	Very high	69 Å²	69	24 Å²	24	37%	0.369	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-63.8	171.4	-89.4	80.5	0	0	0	110.9	L285 Y286 T362	L285-N288 HydrophobicContact CB-CB 4.15Å; L285-N288 HydrophobicContact CD2-CB 4.03Å; L285-N288 HydrophobicContact CG-CB 4.08Å; L285-N288 PolarHBondContact O-N 3.1Å; L285-N288 VanDerWaalsContact O-N 3.16Å; Y286-N288 PolarHBondContact O-N 2.87Å; N288-T362 PolarHBondContact ND2-O 2.9Å; N288-T362 WeakPolarHBondContact O-CB 3.21Å; N288-T362 VanDerWaalsContact O-CG2 3.26Å; N288-T362 WeakPolarHBondContact O-CG2 3.49Å
289	D	98.7	Very high	98.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-8.8	-170.9	-55.1	-51	0	0	0	113.7	R278 C284 L285 T362 S363 F376 Y378	R278-D289 IonicContact CZ-OD2 3.74Å; R278-D289 IonicContact NH1-OD2 3.88Å; R278-D289 PolarHBondContact NH1-OD2 2.8Å; R278-D289 IonicContact NH2-OD2 3.27Å; C284-D289 HydrophobicContact CB-CB 4.09Å; L285-D289 PolarHBondContact N-OD2 3.42Å; L285-D289 PolarHBondContact O-N 3.49Å; D289-T362 WeakPolarHBondContact OD1-CB 3.12Å; D289-T362 PolarHBondContact OD1-OG1 2.72Å; D289-S363 VanDerWaalsContact OD1-CB 3.27Å; D289-S363 WeakPolarHBondContact OD1-CB 3.34Å; D289-S363 PolarHBondContact OD1-OG 2.89Å; D289-S363 PolarHBondContact OD2-OG 2.87Å; D289-F376 HydrophobicContact CB-CD2 4.4Å; D289-Y378 VanDerWaalsContact O-CE2 3.26Å; D289-Y378 WeakPolarHBondContact O-CE2 3.38Å; D289-Y378 PolarHBondContact O-OH 3.24Å
290	M	98.2	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-160.7	151.1	178.3	57.6	-163.4	175.3	0	0	110.1	I136 D139 C284 Y286 G287 T294 L301	I136-M290 HydrophobicContact CD1-CB 3.98Å; I136-M290 HydrophobicContact CD1-CG 4.42Å; I136-M290 HydrophobicContact CD1-SD 3.99Å; I136-M290 HydrophobicContact CG2-CG 4.47Å; I136-M290 HydrophobicContact CG2-SD 4.42Å; D139-M290 HydrophobicContact CB-CE 3.57Å; D139-M290 WeakPolarHBondContact OD1-CE 3.37Å; C284-M290 HydrophobicContact CB-CE 3.58Å; C284-M290 HydrophobicContact CB-CG 4.45Å; C284-M290 HydrophobicContact CB-SD 3.63Å; Y286-M290 HydrophobicContact CD2-CG 4.03Å; G287-M290 PolarHBondContact N-O 2.97Å; M290-T294 HydrophobicContact CB-CG2 4.43Å; M290-L301 HydrophobicContact SD-CD1 3.57Å; M290-L301 VanDerWaalsContact SD-CD1 3.57Å
291	D	98.2	Very high	98.3	Very high	56 Å²	56	26.5 Å²	26.5	30%	0.299	17%	0.169	S	C	.	.			trans	-158.3	175.8	-173	55.8	36.4	0	0	0	110.6	I136 T293 T294	I136-D291 PolarHBondContact N-O 2.67Å; I136-D291 CarbonylContact O-C 3.57Å; I136-D291 VanDerWaalsContact O-O 3.09Å; D291-T293 PolarHBondContact O-N 3.09Å; D291-T293 VanDerWaalsContact OD1-C 3.3Å; D291-T293 VanDerWaalsContact OD1-CA 3.3Å; D291-T293 WeakPolarHBondContact OD1-CA 3.14Å; D291-T293 WeakPolarHBondContact OD1-CB 3.29Å; D291-T293 PolarHBondContact OD1-N 2.92Å; D291-T293 PolarHBondContact OD1-OG1 3.03Å; D291-T294 PolarHBondContact O-N 3.43Å; D291-T294 VanDerWaalsContact OD1-CB 3.31Å; D291-T294 WeakPolarHBondContact OD1-CB 3.47Å; D291-T294 PolarHBondContact OD1-N 3.43Å; D291-T294 VanDerWaalsContact OD1-N 3.1Å; D291-T294 PolarHBondContact OD1-OG1 3.19Å
292	D	98.2	Very high	98.3	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-6	176.5	-75.5	-86.1	0	0	0	114.1	N131 I136 K137 Y286	N131-D292 PolarHBondContact ND2-O 3.08Å; N131-D292 PolarHBondContact ND2-OD1 2.78Å; I136-D292 VanDerWaalsContact O-CA 3.27Å; I136-D292 WeakPolarHBondContact O-CA 3.46Å; I136-D292 PolarHBondContact O-N 3.48Å; K137-D292 IonicContact NZ-OD1 3.39Å; K137-D292 PolarHBondContact NZ-OD1 2.97Å; Y286-D292 PolarHBondContact OH-N 3.05Å; Y286-D292 PolarHBondContact OH-OD2 3.17Å; Y286-D292 VanDerWaalsContact OH-OD2 3.07Å
293	T	98.1	Very high	98.2	Very high	105 Å²	105	35 Å²	35	64%	0.644	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	7.9	176.4	78	0	0	0	0	113.8	D291 K331	D291-T293 PolarHBondContact O-N 3.09Å; D291-T293 VanDerWaalsContact OD1-C 3.3Å; D291-T293 VanDerWaalsContact OD1-CA 3.3Å; D291-T293 WeakPolarHBondContact OD1-CA 3.14Å; D291-T293 WeakPolarHBondContact OD1-CB 3.29Å; D291-T293 PolarHBondContact OD1-N 2.92Å; D291-T293 PolarHBondContact OD1-OG1 3.03Å; T293-K331 PolarHBondContact O-NZ 2.66Å; T293-K331 VanDerWaalsContact O-NZ 3.14Å
294	T	98.7	Very high	98.2	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.031	20%	0.196	C	C	.	.			trans	-130.7	117.8	-171.3	-62.5	0	0	0	0	110.3	I136 M290 D291 E298 A299 K331 Y378	I136-T294 WeakPolarHBondContact CG1-O 3.12Å; I136-T294 PolarHBondContact N-O 2.77Å; M290-T294 HydrophobicContact CB-CG2 4.43Å; D291-T294 PolarHBondContact O-N 3.43Å; D291-T294 VanDerWaalsContact OD1-CB 3.31Å; D291-T294 WeakPolarHBondContact OD1-CB 3.47Å; D291-T294 PolarHBondContact OD1-N 3.43Å; D291-T294 VanDerWaalsContact OD1-N 3.1Å; D291-T294 PolarHBondContact OD1-OG1 3.19Å; T294-E298 HydrophobicContact CG2-CB 4.45Å; T294-A299 HydrophobicContact CG2-CB 4.33Å; T294-K331 PolarHBondContact OG1-NZ 2.73Å; T294-Y378 HydrophobicContact CG2-CE1 3.91Å; T294-Y378 HydrophobicContact CG2-CE2 4.46Å; T294-Y378 VanDerWaalsContact CG2-OH 3.22Å; T294-Y378 WeakPolarHBondContact CG2-OH 3.33Å
295	T	98.8	Very high	98.2	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.037	19%	0.193	C	C	.	.			trans	-79.7	160	-174.3	63	0	0	0	0	113	G134 V297 E298 A299 V320 Q324	G134-T295 WeakPolarHBondContact O-CA 3.41Å; G134-T295 WeakPolarHBondContact O-CG2 3.34Å; T295-V297 PolarHBondContact O-N 3.47Å; T295-E298 WeakPolarHBondContact CB-OE2 3.36Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.21Å; T295-E298 PolarHBondContact N-OE2 3.49Å; T295-E298 PolarHBondContact O-N 3.23Å; T295-E298 WeakPolarHBondContact OG1-CB 3.41Å; T295-E298 WeakPolarHBondContact OG1-CG 3.33Å; T295-E298 PolarHBondContact OG1-N 3.15Å; T295-E298 PolarHBondContact OG1-OE2 2.5Å; T295-A299 WeakPolarHBondContact O-CB 3.22Å; T295-A299 PolarHBondContact O-N 3.43Å; T295-V320 HydrophobicContact CG2-CG1 4.27Å; T295-Q324 VanDerWaalsContact CB-OE1 3.25Å; T295-Q324 PolarHBondContact OG1-NE2 3.35Å; T295-Q324 VanDerWaalsContact OG1-NE2 3.13Å; T295-Q324 PolarHBondContact OG1-OE1 3.09Å
296	P	98.8	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.4	173.8	-24.1	34.3	0	0	0	113.9	V128 T130 G134 I136 G300 L301 A302 I305 I321	V128-P296 HydrophobicContact CG2-CG 3.94Å; T130-P296 HydrophobicContact CG2-CG 4.17Å; G134-P296 WeakPolarHBondContact O-CD 3.28Å; I136-P296 HydrophobicContact CD1-CG 4.25Å; I136-P296 HydrophobicContact CG1-CG 3.98Å; P296-G300 PolarHBondContact O-N 3.45Å; P296-L301 HydrophobicContact CB-CB 4.36Å; P296-L301 CarbonylContact O-C 3.45Å; P296-L301 VanDerWaalsContact O-CA 3.29Å; P296-L301 WeakPolarHBondContact O-CA 3.29Å; P296-L301 PolarHBondContact O-N 2.9Å; P296-A302 PolarHBondContact O-N 3.34Å; P296-I305 HydrophobicContact CB-CD1 4.24Å; P296-I305 HydrophobicContact CB-CG1 4.28Å; P296-I321 HydrophobicContact CG-CD1 4.19Å
297	V	98.6	Very high	98.1	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-42.1	179.7	-169.6	0	0	0	0	111.4	T295 A299 G300 A302 I305 I321 Q324 L325 V329	T295-V297 PolarHBondContact O-N 3.47Å; V297-A299 VanDerWaalsContact C-N 3.35Å; V297-G300 PolarHBondContact O-N 2.93Å; V297-A302 HydrophobicContact CG1-CB 4.49Å; V297-A302 HydrophobicContact CG2-CB 4.5Å; V297-I305 HydrophobicContact CG2-CD1 4.08Å; V297-I321 HydrophobicContact CG2-CG2 4.17Å; V297-Q324 HydrophobicContact CB-CB 3.81Å; V297-Q324 HydrophobicContact CG1-CB 3.94Å; V297-Q324 HydrophobicContact CG2-CB 3.82Å; V297-L325 HydrophobicContact CG1-CD2 4.46Å; V297-L325 HydrophobicContact CG2-CD2 3.91Å; V297-L325 HydrophobicContact CG2-CG 3.96Å; V297-V329 HydrophobicContact CG1-CB 4.4Å; V297-V329 HydrophobicContact CG1-CG1 4.34Å; V297-V329 HydrophobicContact CG1-CG2 4.35Å
298	E	98.7	Very high	98.2	Very high	15 Å²	15	37 Å²	37	7%	0.07	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-42.4	173.2	-64.8	165.5	132.9	0	0	110.7	T294 T295 G300 V329 K331 R332 R333 Y378	T294-E298 HydrophobicContact CG2-CB 4.45Å; T295-E298 WeakPolarHBondContact CB-OE2 3.36Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.21Å; T295-E298 PolarHBondContact N-OE2 3.49Å; T295-E298 PolarHBondContact O-N 3.23Å; T295-E298 WeakPolarHBondContact OG1-CB 3.41Å; T295-E298 WeakPolarHBondContact OG1-CG 3.33Å; T295-E298 PolarHBondContact OG1-N 3.15Å; T295-E298 PolarHBondContact OG1-OE2 2.5Å; E298-G300 PolarHBondContact O-N 3.46Å; E298-G300 VanDerWaalsContact O-N 3.11Å; E298-V329 HydrophobicContact CB-CG2 4.37Å; E298-V329 HydrophobicContact CG-CG2 3.4Å; E298-K331 HydrophobicContact CB-CG 4.21Å; E298-K331 HydrophobicContact CG-CG 3.88Å; E298-K331 WeakPolarHBondContact CG-O 3.42Å; E298-K331 WeakPolarHBondContact OE1-CE 3.38Å; E298-K331 WeakPolarHBondContact OE1-CG 3.44Å; E298-K331 WeakPolarHBondContact OE2-CE 3.46Å; E298-K331 IonicContact OE2-NZ 2.72Å; E298-R332 CarbonylContact O-C 3.55Å; E298-R332 WeakPolarHBondContact O-CA 3.48Å; E298-R333 PolarHBondContact O-N 3.16Å; E298-Y378 HydrophobicContact CB-CE1 4.12Å; E298-Y378 WeakPolarHBondContact O-CE1 3.27Å
299	A	98.6	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-0.7	178.1	0	0	0	0	0	114.7	I136 T294 T295 V297 L301 R333 Y378	I136-A299 HydrophobicContact CD1-CB 4.12Å; T294-A299 HydrophobicContact CG2-CB 4.33Å; T295-A299 WeakPolarHBondContact O-CB 3.22Å; T295-A299 PolarHBondContact O-N 3.43Å; V297-A299 VanDerWaalsContact C-N 3.35Å; A299-L301 HydrophobicContact CB-CB 4.42Å; A299-L301 HydrophobicContact CB-CD1 4.15Å; A299-L301 HydrophobicContact CB-CG 4.07Å; A299-L301 PolarHBondContact O-N 3Å; A299-R333 VanDerWaalsContact O-CZ 3.22Å; A299-R333 PolarHBondContact O-NE 2.94Å; A299-R333 PolarHBondContact O-NH2 2.94Å; A299-Y378 VanDerWaalsContact CA-OH 3.3Å; A299-Y378 WeakPolarHBondContact CA-OH 3.44Å
300	G	97.6	Very high	98.2	Very high	38 Å²	38	38.4 Å²	38.4	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	13.4	-175.2	0	0	0	0	0	113.7	P296 V297 E298 A302	P296-G300 PolarHBondContact O-N 3.45Å; V297-G300 PolarHBondContact O-N 2.93Å; E298-G300 PolarHBondContact O-N 3.46Å; E298-G300 VanDerWaalsContact O-N 3.11Å; G300-A302 VanDerWaalsContact C-N 3.31Å
301	L	98.5	Very high	98.1	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.233	C	C	.	.			trans	-94.4	17.1	177.4	-63	-179.3	0	0	0	112.1	I136 M290 P296 A299 W303 L304	I136-L301 HydrophobicContact CD1-CD1 4.19Å; M290-L301 HydrophobicContact SD-CD1 3.57Å; M290-L301 VanDerWaalsContact SD-CD1 3.57Å; P296-L301 HydrophobicContact CB-CB 4.36Å; P296-L301 CarbonylContact O-C 3.45Å; P296-L301 VanDerWaalsContact O-CA 3.29Å; P296-L301 WeakPolarHBondContact O-CA 3.29Å; P296-L301 PolarHBondContact O-N 2.9Å; A299-L301 HydrophobicContact CB-CB 4.42Å; A299-L301 HydrophobicContact CB-CD1 4.15Å; A299-L301 HydrophobicContact CB-CG 4.07Å; A299-L301 PolarHBondContact O-N 3Å; L301-W303 PolarHBondContact O-N 3.16Å; L301-L304 HydrophobicContact CB-CD1 3.82Å; L301-L304 HydrophobicContact CB-CG 4.1Å; L301-L304 HydrophobicContact CD1-CD1 4.09Å; L301-L304 HydrophobicContact CD2-CD1 4.42Å; L301-L304 HydrophobicContact CG-CD1 4.33Å; L301-L304 WeakPolarHBondContact O-CB 3.4Å; L301-L304 WeakPolarHBondContact O-CG 3.49Å; L301-L304 PolarHBondContact O-N 3.21Å
302	A	98	Very high	98.1	Very high	27 Å²	27	47.9 Å²	47.9	22%	0.223	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-14.2	178	0	0	0	0	0	114.4	P296 V297 G300 R310 L325	P296-A302 PolarHBondContact O-N 3.34Å; V297-A302 HydrophobicContact CG1-CB 4.49Å; V297-A302 HydrophobicContact CG2-CB 4.5Å; G300-A302 VanDerWaalsContact C-N 3.31Å; A302-R310 PolarHBondContact O-NH2 2.86Å; A302-L325 HydrophobicContact CB-CD2 3.89Å
303	W	97.4	Very high	98	Very high	166 Å²	166	46.8 Å²	46.8	63%	0.629	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.7	175.1	66	-89	0	0	0	113.6	L126 L301 I305	L126-W303 HydrophobicContact CB-CH2 4.44Å; L126-W303 HydrophobicContact CD2-CH2 3.94Å; L126-W303 HydrophobicContact CD2-CZ2 4.06Å; L301-W303 PolarHBondContact O-N 3.16Å; W303-I305 VanDerWaalsContact C-N 3.28Å; W303-I305 PolarHBondContact O-N 2.9Å
304	L	98.2	Very high	98	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.6	173.9	-57.8	-176.9	0	0	0	112	V113 L126 V128 L301 A306	V113-L304 HydrophobicContact CG2-CB 3.9Å; L126-L304 HydrophobicContact CB-CD2 4.14Å; L126-L304 HydrophobicContact CD2-CD2 4.04Å; L126-L304 HydrophobicContact CG-CD2 3.9Å; L126-L304 WeakPolarHBondContact O-CD2 3.46Å; V128-L304 HydrophobicContact CG1-CD1 3.89Å; V128-L304 HydrophobicContact CG2-CD1 4.18Å; L301-L304 HydrophobicContact CB-CD1 3.82Å; L301-L304 HydrophobicContact CB-CG 4.1Å; L301-L304 HydrophobicContact CD1-CD1 4.09Å; L301-L304 HydrophobicContact CD2-CD1 4.42Å; L301-L304 HydrophobicContact CG-CD1 4.33Å; L301-L304 WeakPolarHBondContact O-CB 3.4Å; L301-L304 WeakPolarHBondContact O-CG 3.49Å; L301-L304 PolarHBondContact O-N 3.21Å; L304-A306 PolarHBondContact O-N 2.57Å
305	I	98.4	Very high	98	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-70	98.7	-179.4	-44.9	158.3	0	0	0	108	V113 P296 V297 W303 R310 F315 I321 L325	V113-I305 HydrophobicContact CB-CB 4.44Å; V113-I305 HydrophobicContact CB-CG1 4.25Å; V113-I305 HydrophobicContact CB-CG2 4.41Å; V113-I305 HydrophobicContact CG2-CG1 4.31Å; V113-I305 WeakPolarHBondContact O-CA 3.41Å; P296-I305 HydrophobicContact CB-CD1 4.24Å; P296-I305 HydrophobicContact CB-CG1 4.28Å; V297-I305 HydrophobicContact CG2-CD1 4.08Å; W303-I305 VanDerWaalsContact C-N 3.28Å; W303-I305 PolarHBondContact O-N 2.9Å; I305-R310 HydrophobicContact CB-CG 4.47Å; I305-R310 HydrophobicContact CG2-CG 3.65Å; I305-R310 VanDerWaalsContact O-CZ 3.24Å; I305-R310 PolarHBondContact O-NE 2.98Å; I305-R310 PolarHBondContact O-NH2 3.49Å; I305-F315 HydrophobicContact CG2-CE1 4.3Å; I305-F315 HydrophobicContact CG2-CZ 3.89Å; I305-I321 HydrophobicContact CD1-CG2 3.36Å; I305-I321 HydrophobicContact CG1-CG2 4.16Å; I305-L325 HydrophobicContact CD1-CD1 4.03Å; I305-L325 HydrophobicContact CD1-CD2 4.21Å; I305-L325 HydrophobicContact CD1-CG 4.24Å
306	A	97.6	Very high	98	Very high	23 Å²	23	45.9 Å²	45.9	19%	0.19	23%	0.231	C	C	.	.			trans	-71.3	154.7	-170.5	0	0	0	0	0	112.4	V113 D115 L304 A308 R309 R310	V113-A306 PolarHBondContact O-N 3.38Å; D115-A306 HydrophobicContact CB-CB 3.49Å; D115-A306 VanDerWaalsContact CB-CB 3.49Å; L304-A306 PolarHBondContact O-N 2.57Å; A306-A308 PolarHBondContact O-N 2.9Å; A306-R309 HydrophobicContact CB-CG 4.18Å; A306-R309 PolarHBondContact O-N 3.4Å; A306-R310 WeakPolarHBondContact O-CG 3.49Å; A306-R310 PolarHBondContact O-N 3.37Å
307	K	97.7	Very high	98	Very high	160 Å²	160	46.3 Å²	46.3	70%	0.696	24%	0.236	S	C	*	.	H	α-helix	trans	-58.1	-46.3	-170.6	-174.9	-171.5	169.9	-170.3	0	112.4	R309 R310 Q311	K307-R309 PolarHBondContact O-N 2.84Å; K307-R310 PolarHBondContact O-N 3.15Å; K307-Q311 WeakPolarHBondContact O-CG 3.36Å; K307-Q311 PolarHBondContact O-N 3.26Å
308	A	97.2	Very high	98	Very high	23 Å²	23	46.4 Å²	46.4	19%	0.19	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-46.2	178.5	0	0	0	0	0	111.4	D115 A306 R310 Q311 R312	D115-A308 VanDerWaalsContact OD2-CB 3.24Å; D115-A308 WeakPolarHBondContact OD2-CB 3.44Å; A306-A308 PolarHBondContact O-N 2.9Å; A308-R310 VanDerWaalsContact C-N 3.31Å; A308-R310 PolarHBondContact O-N 3.08Å; A308-Q311 WeakPolarHBondContact O-CA 3.44Å; A308-Q311 WeakPolarHBondContact O-CB 3.29Å; A308-Q311 PolarHBondContact O-N 3.12Å; A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 3.11Å
309	R	97.9	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-39.8	177.9	-50.8	-50.1	-54.7	-76.3	0.4	112.2	E109 T112 V113 A114 D115 A306 K307 Q311 R312 G313 D314 F315	E109-R309 PolarHBondContact O-NH1 3.4Å; E109-R309 VanDerWaalsContact O-NH1 3.08Å; E109-R309 PolarHBondContact O-NH2 3.4Å; T112-R309 PolarHBondContact O-NH1 3.28Å; V113-R309 WeakPolarHBondContact O-CG 3.37Å; A114-R309 VanDerWaalsContact O-CD 3.31Å; A114-R309 WeakPolarHBondContact O-CD 3.32Å; A114-R309 VanDerWaalsContact O-CG 3.25Å; A114-R309 WeakPolarHBondContact O-CG 3.21Å; A114-R309 PolarHBondContact O-NH1 3.07Å; D115-R309 HydrophobicContact CB-CG 4.47Å; A306-R309 HydrophobicContact CB-CG 4.18Å; A306-R309 PolarHBondContact O-N 3.4Å; K307-R309 PolarHBondContact O-N 2.84Å; R309-Q311 PolarHBondContact O-N 3.45Å; R309-R312 VanDerWaalsContact CD-NH2 3.29Å; R309-R312 VanDerWaalsContact NE-NH2 3.15Å; R309-R312 PolarHBondContact O-N 3.42Å; R309-G313 PolarHBondContact O-N 2.91Å; R309-D314 IonicContact CZ-OD1 3.99Å; R309-D314 VanDerWaalsContact CZ-OD1 3.27Å; R309-D314 IonicContact NE-OD1 3.94Å; R309-D314 PolarHBondContact NE-OD1 3.3Å; R309-D314 IonicContact NE-OD2 3.7Å; R309-D314 PolarHBondContact NH2-O 3.49Å; R309-D314 IonicContact NH2-OD1 3.26Å; R309-D314 PolarHBondContact NH2-OD1 3.04Å; R309-D314 IonicContact NH2-OD2 2.81Å; R309-F315 HydrophobicContact CB-CD1 4.1Å; R309-F315 HydrophobicContact CB-CE1 4.18Å; R309-F315 WeakPolarHBondContact O-CE1 3.35Å
310	R	98	Very high	97.9	Very high	99 Å²	99	55.4 Å²	55.4	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-27.2	173.1	-61.8	178.6	-156.8	-150.6	0.5	114.3	A302 I305 A306 K307 A308 L322 L325	A302-R310 PolarHBondContact O-NH2 2.86Å; I305-R310 HydrophobicContact CB-CG 4.47Å; I305-R310 HydrophobicContact CG2-CG 3.65Å; I305-R310 VanDerWaalsContact O-CZ 3.24Å; I305-R310 PolarHBondContact O-NE 2.98Å; I305-R310 PolarHBondContact O-NH2 3.49Å; A306-R310 WeakPolarHBondContact O-CG 3.49Å; A306-R310 PolarHBondContact O-N 3.37Å; K307-R310 PolarHBondContact O-N 3.15Å; A308-R310 VanDerWaalsContact C-N 3.31Å; A308-R310 PolarHBondContact O-N 3.08Å; R310-L322 HydrophobicContact CB-CD2 4.01Å; R310-L322 HydrophobicContact CG-CD2 3.99Å; R310-L325 HydrophobicContact CG-CD1 4.09Å
311	Q	97.4	Very high	98	Very high	144 Å²	144	53.6 Å²	53.6	67%	0.673	27%	0.269	S	S	*	.	H	α-helix	trans	-85.9	-31	179.1	-64.8	176.7	-88.5	0	0	111.8	K307 A308 R309	K307-Q311 WeakPolarHBondContact O-CG 3.36Å; K307-Q311 PolarHBondContact O-N 3.26Å; A308-Q311 WeakPolarHBondContact O-CA 3.44Å; A308-Q311 WeakPolarHBondContact O-CB 3.29Å; A308-Q311 PolarHBondContact O-N 3.12Å; R309-Q311 PolarHBondContact O-N 3.45Å
312	R	97	Very high	98	Very high	112 Å²	112	54.5 Å²	54.5	42%	0.423	27%	0.274	S	S	.	.	H	α-helix	trans	-87.5	-30.9	179.7	-58.4	-169.7	-42.4	-131.3	12.6	113.4	E109 A308 R309 D314	E109-R312 IonicContact OE1-NH2 3.63Å; E109-R312 IonicContact OE2-CZ 3.04Å; E109-R312 IonicContact OE2-NH1 3.36Å; E109-R312 IonicContact OE2-NH2 3.09Å; E109-R312 PolarHBondContact OE2-NH2 3.21Å; A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 3.11Å; R309-R312 VanDerWaalsContact CD-NH2 3.29Å; R309-R312 VanDerWaalsContact NE-NH2 3.15Å; R309-R312 PolarHBondContact O-N 3.42Å; R312-D314 HydrophobicContact CB-CB 4.12Å; R312-D314 IonicContact CZ-OD2 2.72Å; R312-D314 VanDerWaalsContact CZ-OD2 3.22Å; R312-D314 IonicContact NE-OD1 2.65Å; R312-D314 IonicContact NE-OD2 3.82Å; R312-D314 PolarHBondContact NE-OD2 3.18Å; R312-D314 IonicContact NH2-OD1 3.85Å; R312-D314 IonicContact NH2-OD2 2.71Å; R312-D314 PolarHBondContact NH2-OD2 3.29Å; R312-D314 PolarHBondContact O-N 3.39Å
313	G	97.6	Very high	98	Very high	31 Å²	31	56.6 Å²	56.6	32%	0.32	28%	0.281	S	S	.	.			trans	67.4	21.5	-179	0	0	0	0	0	114	R309 F315 A318	R309-G313 PolarHBondContact O-N 2.91Å; G313-F315 PolarHBondContact O-N 2.88Å; G313-A318 WeakPolarHBondContact O-CB 3.3Å
314	D	97.4	Very high	98	Very high	65 Å²	65	49.4 Å²	49.4	35%	0.348	26%	0.255	S	S	.	.			trans	-99	38.3	-162.6	63	-15.3	0	0	0	113.6	R309 R312	R309-D314 IonicContact CZ-OD1 3.99Å; R309-D314 VanDerWaalsContact CZ-OD1 3.27Å; R309-D314 IonicContact NE-OD1 3.94Å; R309-D314 PolarHBondContact NE-OD1 3.3Å; R309-D314 IonicContact NE-OD2 3.7Å; R309-D314 PolarHBondContact NH2-O 3.49Å; R309-D314 IonicContact NH2-OD1 3.26Å; R309-D314 PolarHBondContact NH2-OD1 3.04Å; R309-D314 IonicContact NH2-OD2 2.81Å; R312-D314 HydrophobicContact CB-CB 4.12Å; R312-D314 IonicContact CZ-OD2 2.72Å; R312-D314 VanDerWaalsContact CZ-OD2 3.22Å; R312-D314 IonicContact NE-OD1 2.65Å; R312-D314 IonicContact NE-OD2 3.82Å; R312-D314 PolarHBondContact NE-OD2 3.18Å; R312-D314 IonicContact NH2-OD1 3.85Å; R312-D314 IonicContact NH2-OD2 2.71Å; R312-D314 PolarHBondContact NH2-OD2 3.29Å; R312-D314 PolarHBondContact O-N 3.39Å
315	F	98.4	Very high	98	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.053	27%	0.266	C	S	.	.	S	Bend	trans	-136.1	156.1	-179.4	57.3	-87.6	0	0	0	111.8	V113 I305 R309 G313 G317 A318 I321 L322	V113-F315 HydrophobicContact CG1-CD2 3.8Å; V113-F315 HydrophobicContact CG1-CE2 4.05Å; V113-F315 HydrophobicContact CG1-CG 4.42Å; I305-F315 HydrophobicContact CG2-CE1 4.3Å; I305-F315 HydrophobicContact CG2-CZ 3.89Å; R309-F315 HydrophobicContact CB-CD1 4.1Å; R309-F315 HydrophobicContact CB-CE1 4.18Å; R309-F315 WeakPolarHBondContact O-CE1 3.35Å; G313-F315 PolarHBondContact O-N 2.88Å; F315-G317 PolarHBondContact O-N 2.86Å; F315-A318 HydrophobicContact CD1-CB 4.18Å; F315-A318 HydrophobicContact CD2-CB 4.06Å; F315-A318 HydrophobicContact CE1-CB 3.98Å; F315-A318 HydrophobicContact CE2-CB 3.87Å; F315-A318 HydrophobicContact CG-CB 4.21Å; F315-A318 HydrophobicContact CZ-CB 3.83Å; F315-A318 VanDerWaalsContact O-CB 3.31Å; F315-A318 WeakPolarHBondContact O-CB 3.42Å; F315-A318 PolarHBondContact O-N 2.83Å; F315-A318 VanDerWaalsContact O-N 3.13Å; F315-I321 HydrophobicContact CD2-CD1 4.35Å; F315-I321 HydrophobicContact CE2-CB 4.08Å; F315-I321 HydrophobicContact CE2-CD1 3.82Å; F315-I321 HydrophobicContact CE2-CG2 3.97Å; F315-I321 HydrophobicContact CZ-CG2 4.21Å; F315-L322 HydrophobicContact CE1-CD2 4.4Å; F315-L322 HydrophobicContact CZ-CD2 3.94Å; F315-L322 HydrophobicContact CZ-CG 4.11Å
316	P	98.6	Very high	97.9	Very high	20 Å²	20	59.7 Å²	59.7	13%	0.13	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	128.7	-177.2	-23.2	33.9	0	0	0	111.7	S110 T130 N131 A318	S110-P316 WeakPolarHBondContact O-CD 3.15Å; S110-P316 WeakPolarHBondContact O-CG 3.47Å; T130-P316 WeakPolarHBondContact CB-O 3.47Å; T130-P316 WeakPolarHBondContact O-CB 3.44Å; T130-P316 PolarHBondContact OG1-O 3.33Å; N131-P316 CarbonylContact O-C 3.5Å; N131-P316 VanDerWaalsContact O-C 3.3Å; P316-A318 VanDerWaalsContact C-N 3.34Å
317	G	98.6	Very high	97.6	Very high	9 Å²	9	60.8 Å²	60.8	9%	0.093	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	18.6	-179.5	0	0	0	0	0	115.6	N131 D132 F315 D319 V320 I321	N131-G317 WeakPolarHBondContact O-CA 3.31Å; N131-G317 PolarHBondContact O-N 2.75Å; D132-G317 WeakPolarHBondContact O-CA 3.3Å; F315-G317 PolarHBondContact O-N 2.86Å; G317-D319 VanDerWaalsContact C-N 3.32Å; G317-D319 PolarHBondContact O-N 3.12Å; G317-V320 PolarHBondContact O-N 2.7Å; G317-I321 WeakPolarHBondContact O-CG1 3.43Å; G317-I321 PolarHBondContact O-N 3.07Å; G317-I321 VanDerWaalsContact O-N 3.11Å
318	A	98.6	Very high	97.4	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-51.3	-44.2	179.8	0	0	0	0	0	113.6	G313 F315 P316 V320 I321 L322	G313-A318 WeakPolarHBondContact O-CB 3.3Å; F315-A318 HydrophobicContact CD1-CB 4.18Å; F315-A318 HydrophobicContact CD2-CB 4.06Å; F315-A318 HydrophobicContact CE1-CB 3.98Å; F315-A318 HydrophobicContact CE2-CB 3.87Å; F315-A318 HydrophobicContact CG-CB 4.21Å; F315-A318 HydrophobicContact CZ-CB 3.83Å; F315-A318 VanDerWaalsContact O-CB 3.31Å; F315-A318 WeakPolarHBondContact O-CB 3.42Å; F315-A318 PolarHBondContact O-N 2.83Å; F315-A318 VanDerWaalsContact O-N 3.13Å; P316-A318 VanDerWaalsContact C-N 3.34Å; A318-V320 VanDerWaalsContact C-N 3.35Å; A318-V320 PolarHBondContact O-N 3.47Å; A318-I321 PolarHBondContact O-N 2.91Å; A318-L322 HydrophobicContact CB-CD1 4.3Å; A318-L322 WeakPolarHBondContact O-CB 3.35Å; A318-L322 WeakPolarHBondContact O-CG 3.48Å; A318-L322 PolarHBondContact O-N 2.88Å
319	D	98.1	Very high	97.3	Very high	148 Å²	148	57.6 Å²	57.6	79%	0.791	30%	0.303	S	S	*	.	H	α-helix	trans	-58.3	-43.9	-179	-71.9	-40.8	0	0	0	113.1	G317 N323	G317-D319 VanDerWaalsContact C-N 3.32Å; G317-D319 PolarHBondContact O-N 3.12Å; D319-N323 WeakPolarHBondContact O-CB 3.29Å; D319-N323 PolarHBondContact O-N 2.9Å
320	V	98.5	Very high	97.3	Very high	57 Å²	57	61.9 Å²	61.9	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-51	177.3	-178.7	0	0	0	0	110.2	T295 G317 A318 N323 Q324	T295-V320 HydrophobicContact CG2-CG1 4.27Å; G317-V320 PolarHBondContact O-N 2.7Å; A318-V320 VanDerWaalsContact C-N 3.35Å; A318-V320 PolarHBondContact O-N 3.47Å; V320-N323 PolarHBondContact O-N 3.48Å; V320-Q324 WeakPolarHBondContact O-CG 3.32Å; V320-Q324 PolarHBondContact O-N 2.93Å
321	I	98.7	Very high	97.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-44.4	-174.6	-68.7	170.1	0	0	0	111.3	T130 P296 V297 I305 F315 G317 A318 N323 Q324 L325	T130-I321 HydrophobicContact CG2-CD1 4.06Å; P296-I321 HydrophobicContact CG-CD1 4.19Å; V297-I321 HydrophobicContact CG2-CG2 4.17Å; I305-I321 HydrophobicContact CD1-CG2 3.36Å; I305-I321 HydrophobicContact CG1-CG2 4.16Å; F315-I321 HydrophobicContact CD2-CD1 4.35Å; F315-I321 HydrophobicContact CE2-CB 4.08Å; F315-I321 HydrophobicContact CE2-CD1 3.82Å; F315-I321 HydrophobicContact CE2-CG2 3.97Å; F315-I321 HydrophobicContact CZ-CG2 4.21Å; G317-I321 WeakPolarHBondContact O-CG1 3.43Å; G317-I321 PolarHBondContact O-N 3.07Å; G317-I321 VanDerWaalsContact O-N 3.11Å; A318-I321 PolarHBondContact O-N 2.91Å; I321-N323 VanDerWaalsContact C-N 3.34Å; I321-Q324 PolarHBondContact O-N 3.41Å; I321-L325 WeakPolarHBondContact O-CG 3.16Å; I321-L325 PolarHBondContact O-N 3.17Å
322	L	98.4	Very high	97.3	Very high	33 Å²	33	57.1 Å²	57.1	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-73.2	-25.5	179	-61.2	-176.7	0	0	0	112.4	R310 F315 A318 L325 K326	R310-L322 HydrophobicContact CB-CD2 4.01Å; R310-L322 HydrophobicContact CG-CD2 3.99Å; F315-L322 HydrophobicContact CE1-CD2 4.4Å; F315-L322 HydrophobicContact CZ-CD2 3.94Å; F315-L322 HydrophobicContact CZ-CG 4.11Å; A318-L322 HydrophobicContact CB-CD1 4.3Å; A318-L322 WeakPolarHBondContact O-CB 3.35Å; A318-L322 WeakPolarHBondContact O-CG 3.48Å; A318-L322 PolarHBondContact O-N 2.88Å; L322-L325 HydrophobicContact CD2-CD1 3.91Å; L322-K326 WeakPolarHBondContact O-CE 3.48Å; L322-K326 WeakPolarHBondContact O-CG 3.28Å
323	N	98.1	Very high	97.4	Very high	71 Å²	71	53.3 Å²	53.3	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-70.8	-46.3	168.7	-174.9	34.9	0	0	0	111.6	D319 V320 I321 L325 K326 N328	D319-N323 WeakPolarHBondContact O-CB 3.29Å; D319-N323 PolarHBondContact O-N 2.9Å; V320-N323 PolarHBondContact O-N 3.48Å; I321-N323 VanDerWaalsContact C-N 3.34Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 2.66Å; N323-K326 WeakPolarHBondContact O-CB 3.28Å; N323-K326 PolarHBondContact O-N 2.81Å; N323-N328 PolarHBondContact OD1-ND2 2.62Å
324	Q	98.4	Very high	97.5	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-36.9	175.9	-74	172.6	-21.6	0	0	112.8	T295 V297 V320 I321 K326 G327 N328 V329	T295-Q324 VanDerWaalsContact CB-OE1 3.25Å; T295-Q324 PolarHBondContact OG1-NE2 3.35Å; T295-Q324 VanDerWaalsContact OG1-NE2 3.13Å; T295-Q324 PolarHBondContact OG1-OE1 3.09Å; V297-Q324 HydrophobicContact CB-CB 3.81Å; V297-Q324 HydrophobicContact CG1-CB 3.94Å; V297-Q324 HydrophobicContact CG2-CB 3.82Å; V320-Q324 WeakPolarHBondContact O-CG 3.32Å; V320-Q324 PolarHBondContact O-N 2.93Å; I321-Q324 PolarHBondContact O-N 3.41Å; Q324-K326 PolarHBondContact O-N 2.6Å; Q324-G327 PolarHBondContact O-N 3Å; Q324-N328 WeakPolarHBondContact CG-O 3.5Å; Q324-V329 HydrophobicContact CB-CB 4.05Å; Q324-V329 HydrophobicContact CB-CG2 4.46Å; Q324-V329 HydrophobicContact CG-CB 4.06Å; Q324-V329 HydrophobicContact CG-CG2 4.25Å
325	L	97.4	Very high	97.6	Very high	54 Å²	54	49.3 Å²	49.3	28%	0.283	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22	174	-78.8	-177.3	0	0	0	113.9	V297 A302 I305 R310 I321 L322 N323 G327	V297-L325 HydrophobicContact CG1-CD2 4.46Å; V297-L325 HydrophobicContact CG2-CD2 3.91Å; V297-L325 HydrophobicContact CG2-CG 3.96Å; A302-L325 HydrophobicContact CB-CD2 3.89Å; I305-L325 HydrophobicContact CD1-CD1 4.03Å; I305-L325 HydrophobicContact CD1-CD2 4.21Å; I305-L325 HydrophobicContact CD1-CG 4.24Å; R310-L325 HydrophobicContact CG-CD1 4.09Å; I321-L325 WeakPolarHBondContact O-CG 3.16Å; I321-L325 PolarHBondContact O-N 3.17Å; L322-L325 HydrophobicContact CD2-CD1 3.91Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 2.66Å; L325-G327 PolarHBondContact O-N 2.82Å
326	K	96.5	Very high	97.6	Very high	169 Å²	169	48.7 Å²	48.7	74%	0.735	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.1	174.8	-59.4	166.4	-169.9	172.6	0	112.9	L322 N323 Q324	L322-K326 WeakPolarHBondContact O-CE 3.48Å; L322-K326 WeakPolarHBondContact O-CG 3.28Å; N323-K326 WeakPolarHBondContact O-CB 3.28Å; N323-K326 PolarHBondContact O-N 2.81Å; Q324-K326 PolarHBondContact O-N 2.6Å
327	G	91.2	Very high	97.6	Very high	47 Å²	47	48.5 Å²	48.5	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.8	-13.4	-179.4	0	0	0	0	0	114.3	Q324 L325 V329	Q324-G327 PolarHBondContact O-N 3Å; L325-G327 PolarHBondContact O-N 2.82Å; G327-V329 PolarHBondContact O-N 2.92Å
328	N	92.6	Very high	97.5	Very high	106 Å²	106	48.3 Å²	48.3	57%	0.567	26%	0.261	S	S	*	.			trans	-78.5	57.9	-173.8	-65.4	-29.2	0	0	0	112.9	N323 Q324	N323-N328 PolarHBondContact OD1-ND2 2.62Å; Q324-N328 WeakPolarHBondContact CG-O 3.5Å
329	V	96.8	Very high	97.4	Very high	10 Å²	10	55.3 Å²	55.3	6%	0.061	29%	0.29	C	S	.	.			trans	-126.3	124.3	-177.5	63.6	0	0	0	0	110.9	V297 E298 Q324 G327 K331 R332 S381	V297-V329 HydrophobicContact CG1-CB 4.4Å; V297-V329 HydrophobicContact CG1-CG1 4.34Å; V297-V329 HydrophobicContact CG1-CG2 4.35Å; E298-V329 HydrophobicContact CB-CG2 4.37Å; E298-V329 HydrophobicContact CG-CG2 3.4Å; Q324-V329 HydrophobicContact CB-CB 4.05Å; Q324-V329 HydrophobicContact CB-CG2 4.46Å; Q324-V329 HydrophobicContact CG-CB 4.06Å; Q324-V329 HydrophobicContact CG-CG2 4.25Å; G327-V329 PolarHBondContact O-N 2.92Å; V329-K331 WeakPolarHBondContact CG2-O 3.41Å; V329-R332 VanDerWaalsContact CG1-CZ 3.43Å; V329-S381 WeakPolarHBondContact O-CB 3.46Å; V329-S381 PolarHBondContact O-OG 2.92Å
330	S	96.7	Very high	97.1	Very high	90 Å²	90	56 Å²	56	63%	0.629	29%	0.288	S	S	*	.	S	Bend	trans	-85.3	-47.7	-168.8	54.8	0	0	0	0	113.3	P380 S381	S330-P380 CarbonylContact O-C 3.5Å; S330-P380 VanDerWaalsContact O-CA 3.28Å; S330-P380 WeakPolarHBondContact O-CA 3.27Å; S330-S381 PolarHBondContact O-N 2.84Å
331	K	98.1	Very high	96.8	Very high	56 Å²	56	56.2 Å²	56.2	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	152.2	176	59.8	172.6	178.4	174.3	0	111.4	T293 T294 E298 V329 Y378 V379	T293-K331 PolarHBondContact O-NZ 2.66Å; T293-K331 VanDerWaalsContact O-NZ 3.14Å; T294-K331 PolarHBondContact OG1-NZ 2.73Å; E298-K331 HydrophobicContact CB-CG 4.21Å; E298-K331 HydrophobicContact CG-CG 3.88Å; E298-K331 WeakPolarHBondContact CG-O 3.42Å; E298-K331 WeakPolarHBondContact OE1-CE 3.38Å; E298-K331 WeakPolarHBondContact OE1-CG 3.44Å; E298-K331 WeakPolarHBondContact OE2-CE 3.46Å; E298-K331 IonicContact OE2-NZ 2.72Å; V329-K331 WeakPolarHBondContact CG2-O 3.41Å; K331-Y378 HydrophobicContact CB-CD1 4.31Å; K331-Y378 HydrophobicContact CD-CD1 3.97Å; K331-Y378 HydrophobicContact CG-CD1 4.17Å; K331-V379 CarbonylContact C-O 3.59Å; K331-V379 WeakPolarHBondContact CA-O 3.46Å
332	R	98.6	Very high	96.4	Very high	86 Å²	86	62.6 Å²	62.6	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.7	170.7	-69.4	-178.6	179.9	-87.4	8.6	111	E298 V329 Y378 V379 S381 A384	E298-R332 CarbonylContact O-C 3.55Å; E298-R332 WeakPolarHBondContact O-CA 3.48Å; V329-R332 VanDerWaalsContact CG1-CZ 3.43Å; R332-Y378 WeakPolarHBondContact O-CA 3.35Å; R332-V379 PolarHBondContact N-O 2.85Å; R332-V379 PolarHBondContact O-N 3.01Å; R332-S381 PolarHBondContact NE-OG 3.32Å; R332-S381 VanDerWaalsContact NE-OG 3.17Å; R332-A384 HydrophobicContact CB-CB 3.94Å; R332-A384 HydrophobicContact CG-CB 4.44Å
333	R	98.8	Very high	96.2	Very high	32 Å²	32	62.6 Å²	62.6	12%	0.121	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.7	165.6	-169.8	176.3	56.1	88.3	2.5	109.1	C284 E298 A299 F376 G377 Y378	C284-R333 PolarHBondContact SG-NE 2.83Å; C284-R333 PolarHBondContact SG-NH2 2.91Å; C284-R333 VanDerWaalsContact SG-NH2 3.38Å; E298-R333 PolarHBondContact O-N 3.16Å; A299-R333 VanDerWaalsContact O-CZ 3.22Å; A299-R333 PolarHBondContact O-NE 2.94Å; A299-R333 PolarHBondContact O-NH2 2.94Å; R333-F376 HydrophobicContact CG-CB 4.38Å; R333-F376 HydrophobicContact CG-CG 4.4Å; R333-F376 VanDerWaalsContact NH1-CE2 3.34Å; R333-G377 CarbonylContact C-O 3.54Å; R333-G377 WeakPolarHBondContact CA-O 3.36Å; R333-Y378 HydrophobicContact CB-CD1 4.31Å; R333-Y378 HydrophobicContact CB-CE1 3.74Å; R333-Y378 HydrophobicContact CB-CE2 4.19Å; R333-Y378 HydrophobicContact CG-CE2 4.3Å
334	V	98.8	Very high	96.1	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.6	177	-73.6	0	0	0	0	111	L336 F376 G377 V379 A384 V406	V334-L336 HydrophobicContact CG2-CD1 4.15Å; V334-L336 HydrophobicContact CG2-CD2 4.24Å; V334-L336 HydrophobicContact CG2-CG 3.96Å; V334-F376 WeakPolarHBondContact O-CA 3.13Å; V334-G377 WeakPolarHBondContact CG2-O 3.08Å; V334-G377 PolarHBondContact N-O 3.26Å; V334-G377 PolarHBondContact O-N 3.08Å; V334-V379 HydrophobicContact CB-CG2 4.5Å; V334-V379 HydrophobicContact CG1-CG2 3.78Å; V334-V379 HydrophobicContact CG2-CG1 4.14Å; V334-V379 HydrophobicContact CG2-CG2 3.84Å; V334-A384 HydrophobicContact CG1-CB 3.81Å; V334-V406 HydrophobicContact CB-CG1 4.06Å; V334-V406 HydrophobicContact CB-CG2 4.47Å; V334-V406 HydrophobicContact CG1-CG1 3.88Å; V334-V406 HydrophobicContact CG1-CG2 4.48Å; V334-V406 HydrophobicContact CG2-CG2 4.49Å
335	G	98.9	Very high	95.9	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.8	160	0	0	0	0	0	109.8	V406 T407	G335-V406 CarbonylContact O-C 3.48Å; G335-V406 WeakPolarHBondContact O-CA 3.43Å; G335-T407 PolarHBondContact O-N 3.23Å
336	L	98.8	Very high	95.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.9	-179.3	-71	166.5	0	0	0	109.8	V334 I350 I361 I374 S375 V404 E405 V406	V334-L336 HydrophobicContact CG2-CD1 4.15Å; V334-L336 HydrophobicContact CG2-CD2 4.24Å; V334-L336 HydrophobicContact CG2-CG 3.96Å; L336-I350 HydrophobicContact CD1-CD1 3.82Å; L336-I350 HydrophobicContact CD1-CG1 4.48Å; L336-I361 HydrophobicContact CD1-CD1 3.59Å; L336-I374 CarbonylContact O-C 3.55Å; L336-I374 WeakPolarHBondContact O-CA 3.42Å; L336-S375 WeakPolarHBondContact CB-OG 3.43Å; L336-S375 PolarHBondContact N-O 3.22Å; L336-S375 PolarHBondContact O-N 2.87Å; L336-S375 PolarHBondContact O-OG 2.77Å; L336-V404 HydrophobicContact CD2-CB 4.31Å; L336-V404 HydrophobicContact CD2-CG2 3.9Å; L336-E405 WeakPolarHBondContact CA-O 3.37Å; L336-V406 HydrophobicContact CD2-CB 4.46Å; L336-V406 HydrophobicContact CD2-CG2 3.71Å
337	I	98.7	Very high	95.8	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.2	174.3	63.4	174.2	0	0	0	111.3	Y372 N373 I374 V404 E405 T407 F411	I337-Y372 HydrophobicContact CB-CD2 4.21Å; I337-Y372 HydrophobicContact CB-CE2 3.92Å; I337-Y372 HydrophobicContact CG2-CD2 4.34Å; I337-Y372 HydrophobicContact CG2-CE2 3.67Å; I337-N373 CarbonylContact C-O 3.54Å; I337-N373 WeakPolarHBondContact CA-O 3.4Å; I337-I374 HydrophobicContact CG2-CG2 4.34Å; I337-V404 VanDerWaalsContact O-CA 3.25Å; I337-V404 WeakPolarHBondContact O-CA 3.43Å; I337-E405 HydrophobicContact CG1-CB 3.96Å; I337-E405 PolarHBondContact N-O 2.78Å; I337-E405 PolarHBondContact O-N 2.95Å; I337-T407 HydrophobicContact CG2-CG2 3.65Å; I337-F411 HydrophobicContact CG2-CD1 3.85Å; I337-F411 HydrophobicContact CG2-CE1 3.9Å
338	S	97.8	Very high	96	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.1	164.4	-167.7	0	0	0	0	111.8	Q340 N373 V402 D403	S338-Q340 PolarHBondContact OG-O 3.19Å; S338-Q340 VanDerWaalsContact OG-O 3.11Å; S338-N373 PolarHBondContact N-O 2.93Å; S338-N373 WeakPolarHBondContact O-CB 3.39Å; S338-N373 PolarHBondContact O-N 2.98Å; S338-V402 VanDerWaalsContact OG-CG1 3.22Å; S338-V402 WeakPolarHBondContact OG-CG1 3.49Å; S338-D403 VanDerWaalsContact CB-O 3.3Å; S338-D403 WeakPolarHBondContact CB-O 3.48Å; S338-D403 PolarHBondContact OG-O 3.09Å
339	K	96	Very high	96.2	Very high	153 Å²	153	55.1 Å²	55.1	67%	0.665	29%	0.291	S	S	*	.	S	Bend	trans	-80.9	-12.4	-175.4	-64.5	-177.6	-178.9	177.4	0	114
340	Q	92.4	Very high	96.3	Very high	162 Å²	162	54.7 Å²	54.7	76%	0.757	29%	0.288	S	S	*	.	S	Bend	trans	-146.3	173	-175.6	-63.4	-171.5	3.5	0	0	110.7	S338	S338-Q340 PolarHBondContact OG-O 3.19Å; S338-Q340 VanDerWaalsContact OG-O 3.11Å
341	G	90.6	Very high	96.3	Very high	63 Å²	63	51 Å²	51	65%	0.649	26%	0.261	S	S	*	.	S	Bend	trans	72.5	-161.5	175.4	0	0	0	0	0	114.6	N373	G341-N373 PolarHBondContact O-ND2 3.41Å
342	R	91.7	Very high	96.1	Very high	134 Å²	134	49.5 Å²	49.5	51%	0.506	26%	0.256	S	S	.	.	S	Bend	trans	-79.5	143.9	-176.7	-69.7	-177.7	177.1	159.9	6.7	111.2	P344 C394 V402	R342-P344 WeakPolarHBondContact O-CD 3.22Å; R342-C394 HydrophobicContact CB-CB 4.15Å; R342-V402 HydrophobicContact CB-CG2 4.48Å
343	P	93.8	Very high	95.8	Very high	32 Å²	32	50.4 Å²	50.4	21%	0.208	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.6	126.4	173.7	-15.2	26.1	0	0	0	110.6	R345 P366 N373	P343-R345 PolarHBondContact O-N 2.89Å; P343-P366 HydrophobicContact CG-CG 3.97Å; P343-N373 HydrophobicContact CB-CB 4.39Å; P343-N373 WeakPolarHBondContact CB-OD1 3.37Å; P343-N373 WeakPolarHBondContact CG-OD1 3.38Å
344	P	95.8	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-56.4	128.2	165.2	-25.5	36.7	0	0	0	109.7	R342 I361 G364 V392 V404	R342-P344 WeakPolarHBondContact O-CD 3.22Å; P344-I361 HydrophobicContact CB-CD1 4.08Å; P344-I361 HydrophobicContact CB-CG1 4.11Å; P344-I361 HydrophobicContact CB-CG2 4.41Å; P344-G364 CarbonylContact O-C 3.52Å; P344-G364 WeakPolarHBondContact O-CA 3.42Å; P344-V392 HydrophobicContact CB-CB 4.47Å; P344-V392 HydrophobicContact CB-CG1 4.16Å; P344-V392 HydrophobicContact CB-CG2 4.31Å; P344-V392 HydrophobicContact CG-CB 4.5Å; P344-V392 HydrophobicContact CG-CG2 4.38Å; P344-V404 HydrophobicContact CG-CG1 4Å
345	R	94.3	Very high	95	Very high	122 Å²	122	54.4 Å²	54.4	46%	0.46	32%	0.316	S	S	.	.			trans	-118.2	155.6	-180	-66.7	-172.2	176.2	-150.4	-1.9	111.4	P343 G347 Y348 I361	P343-R345 PolarHBondContact O-N 2.89Å; R345-G347 PolarHBondContact O-N 3.25Å; R345-Y348 HydrophobicContact CB-CD2 4.11Å; R345-Y348 HydrophobicContact CB-CE2 3.69Å; R345-Y348 HydrophobicContact CG-CE2 4.11Å; R345-Y348 PolarHBondContact O-N 3.2Å; R345-Y348 VanDerWaalsContact O-N 3.13Å; R345-I361 WeakPolarHBondContact O-CB 3.41Å; R345-I361 VanDerWaalsContact O-CG2 3.24Å; R345-I361 WeakPolarHBondContact O-CG2 2.89Å
346	A	96.1	Very high	94.8	Very high	44 Å²	44	59.8 Å²	59.8	36%	0.364	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	126.3	171.7	0	0	0	0	0	111.3	I361 T362	A346-I361 WeakPolarHBondContact CA-O 3.4Å; A346-T362 WeakPolarHBondContact CB-O 3.31Å
347	G	94.9	Very high	94.6	Very high	39 Å²	39	64.8 Å²	64.8	40%	0.402	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	-25.8	-178	0	0	0	0	0	115.5	R345 I361	R345-G347 PolarHBondContact O-N 3.25Å; G347-I361 PolarHBondContact N-O 2.82Å
348	Y	95.7	Very high	94.6	Very high	65 Å²	65	65.2 Å²	65.2	26%	0.255	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-71.2	143.5	-176.8	-62.8	-18.9	0	0	0	113	R345 K360 I361 V392 D393 C394	R345-Y348 HydrophobicContact CB-CD2 4.11Å; R345-Y348 HydrophobicContact CB-CE2 3.69Å; R345-Y348 HydrophobicContact CG-CE2 4.11Å; R345-Y348 PolarHBondContact O-N 3.2Å; R345-Y348 VanDerWaalsContact O-N 3.13Å; Y348-K360 WeakPolarHBondContact O-CA 3.33Å; Y348-I361 PolarHBondContact O-N 3.45Å; Y348-V392 HydrophobicContact CD2-CG1 4.14Å; Y348-V392 HydrophobicContact CG-CG1 4.34Å; Y348-D393 WeakPolarHBondContact CB-O 3.22Å; Y348-C394 HydrophobicContact CD2-CB 4.08Å; Y348-C394 HydrophobicContact CE2-CB 3.88Å
349	S	96.8	Very high	94.6	Very high	37 Å²	37	65.8 Å²	65.8	26%	0.259	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.6	178.5	-54.8	0	0	0	0	111.7	V392 D393	S349-V392 WeakPolarHBondContact O-CA 3.23Å; S349-D393 PolarHBondContact O-N 3Å
350	I	98.1	Very high	94.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.2	169.3	-53.1	169.3	0	0	0	107.3	L336 N357 V358 G359 I361 V379 L390 R391 V392	L336-I350 HydrophobicContact CD1-CD1 3.82Å; L336-I350 HydrophobicContact CD1-CG1 4.48Å; I350-N357 PolarHBondContact O-OD1 2.83Å; I350-V358 HydrophobicContact CG2-CG2 4.24Å; I350-V358 PolarHBondContact O-N 2.84Å; I350-G359 PolarHBondContact N-O 3Å; I350-G359 PolarHBondContact O-N 3.1Å; I350-I361 HydrophobicContact CD1-CD1 3.96Å; I350-I361 HydrophobicContact CG1-CD1 3.85Å; I350-I361 HydrophobicContact CG1-CG1 4.07Å; I350-V379 HydrophobicContact CD1-CG1 3.74Å; I350-V379 HydrophobicContact CG2-CG1 4.14Å; I350-L390 HydrophobicContact CG2-CB 4Å; I350-L390 HydrophobicContact CG2-CD1 3.83Å; I350-L390 HydrophobicContact CG2-CG 4.43Å; I350-R391 CarbonylContact C-O 3.57Å; I350-R391 WeakPolarHBondContact CA-O 3.38Å; I350-V392 HydrophobicContact CG1-CG2 4.32Å
351	V	96.7	Very high	95	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.9	179.5	-55.9	0	0	0	0	112.1	E356 R391 L401	V351-E356 WeakPolarHBondContact CA-O 3.43Å; V351-E356 WeakPolarHBondContact CB-O 3.22Å; V351-R391 HydrophobicContact CG2-CB 3.72Å; V351-R391 PolarHBondContact N-O 2.87Å; V351-R391 PolarHBondContact O-N 3.06Å; V351-L401 HydrophobicContact CG2-CD1 4.19Å; V351-L401 HydrophobicContact CG2-CD2 3.82Å
352	N	95.4	Very high	95.3	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.134	31%	0.309	C	S	.	.			trans	-82.9	-168.6	177.3	69.6	5.9	0	0	0	112.2	S354 G355 E356 V358 L390 R391	N352-S354 WeakPolarHBondContact OD1-CA 3.26Å; N352-S354 VanDerWaalsContact OD1-CB 3.3Å; N352-S354 WeakPolarHBondContact OD1-CB 3.15Å; N352-S354 PolarHBondContact OD1-N 3.07Å; N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 2.88Å; N352-E356 PolarHBondContact N-O 2.81Å; N352-E356 VanDerWaalsContact N-O 3.09Å; N352-E356 PolarHBondContact ND2-OE2 3.27Å; N352-E356 PolarHBondContact OD1-N 2.66Å; N352-V358 HydrophobicContact CB-CG1 3.97Å; N352-V358 HydrophobicContact CB-CG2 4.18Å; N352-L390 HydrophobicContact CB-CD2 4.47Å; N352-R391 PolarHBondContact O-NH2 2.91Å
353	S	90.8	Very high	95.7	Very high	105 Å²	105	48.3 Å²	48.3	73%	0.734	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.6	174.6	44.5	0	0	0	0	113.2	G355 R391	S353-G355 PolarHBondContact O-N 3.42Å; S353-R391 PolarHBondContact O-NH2 2.96Å
354	S	91.4	Very high	95.9	Very high	87 Å²	87	47.6 Å²	47.6	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.8	174.6	-41.3	0	0	0	0	113.6	N352 E356	N352-S354 WeakPolarHBondContact OD1-CA 3.26Å; N352-S354 VanDerWaalsContact OD1-CB 3.3Å; N352-S354 WeakPolarHBondContact OD1-CB 3.15Å; N352-S354 PolarHBondContact OD1-N 3.07Å; S354-E356 VanDerWaalsContact CB-OE2 3.31Å; S354-E356 WeakPolarHBondContact CB-OE2 3.47Å; S354-E356 PolarHBondContact OG-OE2 3.05Å
355	G	89.9	Confident	95.9	Very high	39 Å²	39	48.5 Å²	48.5	40%	0.402	29%	0.29	S	S	.	.			trans	89.5	4.4	-173.5	0	0	0	0	0	114.1	N352 S353	N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 2.88Å; S353-G355 PolarHBondContact O-N 3.42Å
356	E	94.1	Very high	96.1	Very high	115 Å²	115	46.4 Å²	46.4	54%	0.537	29%	0.293	S	S	.	.			trans	-69.9	142	176	-60.1	162.7	118.6	0	0	110.3	V351 N352 S354 V358	V351-E356 WeakPolarHBondContact CA-O 3.43Å; V351-E356 WeakPolarHBondContact CB-O 3.22Å; N352-E356 PolarHBondContact N-O 2.81Å; N352-E356 VanDerWaalsContact N-O 3.09Å; N352-E356 PolarHBondContact ND2-OE2 3.27Å; N352-E356 PolarHBondContact OD1-N 2.66Å; S354-E356 VanDerWaalsContact CB-OE2 3.31Å; S354-E356 WeakPolarHBondContact CB-OE2 3.47Å; S354-E356 PolarHBondContact OG-OE2 3.05Å; E356-V358 PolarHBondContact O-N 3.25Å
357	N	96	Very high	96.2	Very high	106 Å²	106	44.5 Å²	44.5	57%	0.567	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.3	174.9	-172.5	-13	0	0	0	110.3	I350 G359	I350-N357 PolarHBondContact O-OD1 2.83Å; N357-G359 PolarHBondContact OD1-N 2.67Å; N357-G359 PolarHBondContact OD1-O 3.27Å
358	V	97.9	Very high	96.4	Very high	24 Å²	24	43.6 Å²	43.6	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	17	-178.7	-61.1	0	0	0	0	112	I350 N352 E356 V379 P380 L383 L390	I350-V358 HydrophobicContact CG2-CG2 4.24Å; I350-V358 PolarHBondContact O-N 2.84Å; N352-V358 HydrophobicContact CB-CG1 3.97Å; N352-V358 HydrophobicContact CB-CG2 4.18Å; E356-V358 PolarHBondContact O-N 3.25Å; V358-V379 WeakPolarHBondContact O-CA 3.27Å; V358-P380 WeakPolarHBondContact O-CD 3.35Å; V358-L383 HydrophobicContact CB-CD1 3.74Å; V358-L383 HydrophobicContact CG1-CD1 3.99Å; V358-L383 HydrophobicContact CG2-CD1 3.75Å; V358-L390 HydrophobicContact CG2-CD2 4.26Å
359	G	97.9	Very high	96.5	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-175.5	179.7	0	0	0	0	0	116.2	I350 N357 Y378	I350-G359 PolarHBondContact N-O 3Å; I350-G359 PolarHBondContact O-N 3.1Å; N357-G359 PolarHBondContact OD1-N 2.67Å; N357-G359 PolarHBondContact OD1-O 3.27Å; G359-Y378 WeakPolarHBondContact CA-O 3.01Å
360	K	97.9	Very high	96.6	Very high	123 Å²	123	43.2 Å²	43.2	54%	0.535	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	137.4	-178.3	-168.6	177.1	177.5	-175.2	0	111.3	Y348 G377 Y378	Y348-K360 WeakPolarHBondContact O-CA 3.33Å; K360-G377 CarbonylContact O-C 3.57Å; K360-G377 WeakPolarHBondContact O-CA 3.49Å; K360-Y378 PolarHBondContact N-O 3.04Å; K360-Y378 PolarHBondContact O-N 2.87Å
361	I	98.4	Very high	96.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.3	172.7	-58.7	-66.3	0	0	0	109.5	L336 P344 R345 A346 G347 Y348 I350 S363 F376 V392	L336-I361 HydrophobicContact CD1-CD1 3.59Å; P344-I361 HydrophobicContact CB-CD1 4.08Å; P344-I361 HydrophobicContact CB-CG1 4.11Å; P344-I361 HydrophobicContact CB-CG2 4.41Å; R345-I361 WeakPolarHBondContact O-CB 3.41Å; R345-I361 VanDerWaalsContact O-CG2 3.24Å; R345-I361 WeakPolarHBondContact O-CG2 2.89Å; A346-I361 WeakPolarHBondContact CA-O 3.4Å; G347-I361 PolarHBondContact N-O 2.82Å; Y348-I361 PolarHBondContact O-N 3.45Å; I350-I361 HydrophobicContact CD1-CD1 3.96Å; I350-I361 HydrophobicContact CG1-CD1 3.85Å; I350-I361 HydrophobicContact CG1-CG1 4.07Å; I361-S363 WeakPolarHBondContact CG2-O 3.3Å; I361-F376 CarbonylContact C-O 3.27Å; I361-F376 WeakPolarHBondContact CA-O 3.27Å; I361-F376 WeakPolarHBondContact CG2-O 3.2Å; I361-V392 HydrophobicContact CD1-CG2 3.88Å; I361-V392 HydrophobicContact CG1-CG1 3.95Å; I361-V392 HydrophobicContact CG1-CG2 4.07Å
362	T	98.6	Very high	96.6	Very high	19 Å²	19	53.1 Å²	53.1	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-36.7	-179.1	51.8	0	0	0	0	112.8	N288 D289 A346 F376 Y378	N288-T362 PolarHBondContact ND2-O 2.9Å; N288-T362 WeakPolarHBondContact O-CB 3.21Å; N288-T362 VanDerWaalsContact O-CG2 3.26Å; N288-T362 WeakPolarHBondContact O-CG2 3.49Å; D289-T362 WeakPolarHBondContact OD1-CB 3.12Å; D289-T362 PolarHBondContact OD1-OG1 2.72Å; A346-T362 WeakPolarHBondContact CB-O 3.31Å; T362-F376 PolarHBondContact N-O 2.83Å; T362-F376 VanDerWaalsContact OG1-CB 3.27Å; T362-F376 WeakPolarHBondContact OG1-CB 3.17Å; T362-F376 PolarHBondContact OG1-O 3.03Å; T362-Y378 HydrophobicContact CG2-CD2 3.74Å; T362-Y378 HydrophobicContact CG2-CE2 3.94Å
363	S	98.6	Very high	96.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.5	177.8	-66.8	0	0	0	0	109.7	R278 D289 I361 S375 F376	R278-S363 VanDerWaalsContact NH2-CB 3.33Å; R278-S363 PolarHBondContact NH2-OG 2.83Å; D289-S363 VanDerWaalsContact OD1-CB 3.27Å; D289-S363 WeakPolarHBondContact OD1-CB 3.34Å; D289-S363 PolarHBondContact OD1-OG 2.89Å; D289-S363 PolarHBondContact OD2-OG 2.87Å; I361-S363 WeakPolarHBondContact CG2-O 3.3Å; S363-S375 CarbonylContact O-C 3.5Å; S363-S375 WeakPolarHBondContact O-CA 3.39Å; S363-S375 WeakPolarHBondContact O-CB 3.17Å; S363-F376 PolarHBondContact N-O 3.1Å; S363-F376 PolarHBondContact O-N 2.83Å
364	G	98.1	Very high	97.1	Very high	18 Å²	18	47.7 Å²	47.7	19%	0.186	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	135.6	175.4	0	0	0	0	0	115.6	P344 I374	P344-G364 CarbonylContact O-C 3.52Å; P344-G364 WeakPolarHBondContact O-CA 3.42Å; G364-I374 CarbonylContact C-O 3.52Å; G364-I374 VanDerWaalsContact CA-O 3.27Å; G364-I374 WeakPolarHBondContact CA-O 3.44Å
365	C	97.2	Very high	97.5	Very high	19 Å²	19	43.6 Å²	43.6	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	166.4	179	71.4	0	0	0	0	111.9	I374	C365-I374 PolarHBondContact N-O 3.45Å; C365-I374 PolarHBondContact O-N 2.85Å; C365-I374 VanDerWaalsContact O-O 3.05Å
366	P	98	Very high	97.9	Very high	78 Å²	78	41.7 Å²	41.7	51%	0.506	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.4	164.5	-15.9	30.5	0	0	0	110.6	P343 P368	P343-P366 HydrophobicContact CG-CG 3.97Å; P366-P368 VanDerWaalsContact O-CD 3.3Å; P366-P368 WeakPolarHBondContact O-CD 3.33Å
367	S	98.6	Very high	98.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.021	19%	0.194	C	C	.	.			trans	-78.2	117.1	172.8	162.2	0	0	0	0	110.6	E280 V369 L370 K371 Y372	E280-S367 WeakPolarHBondContact OE1-CA 3.42Å; E280-S367 VanDerWaalsContact OE1-CB 3.3Å; E280-S367 WeakPolarHBondContact OE1-CB 3.41Å; E280-S367 PolarHBondContact OE1-OG 2.92Å; S367-V369 VanDerWaalsContact C-N 3.29Å; S367-V369 PolarHBondContact O-N 3.02Å; S367-L370 WeakPolarHBondContact OG-CB 3.38Å; S367-L370 VanDerWaalsContact OG-CG 3.29Å; S367-L370 WeakPolarHBondContact OG-CG 3.39Å; S367-L370 PolarHBondContact OG-N 2.93Å; S367-K371 PolarHBondContact O-N 2.82Å; S367-Y372 WeakPolarHBondContact CB-O 3.47Å; S367-Y372 PolarHBondContact N-O 2.87Å
368	P	98.3	Very high	98.3	Very high	20 Å²	20	32.4 Å²	32.4	13%	0.13	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.2	176.8	-23.6	38.5	0	0	0	113.1	H79 L80 E280 P366 K371	H79-P368 HydrophobicContact CB-CB 4.14Å; H79-P368 HydrophobicContact CB-CG 3.84Å; L80-P368 HydrophobicContact CD2-CB 4.42Å; L80-P368 HydrophobicContact CG-CB 4.09Å; E280-P368 VanDerWaalsContact OE1-CD 3.31Å; E280-P368 WeakPolarHBondContact OE1-CD 3.46Å; P366-P368 VanDerWaalsContact O-CD 3.3Å; P366-P368 WeakPolarHBondContact O-CD 3.33Å; P368-K371 WeakPolarHBondContact O-CD 3.07Å; P368-K371 WeakPolarHBondContact O-CE 3.22Å; P368-K371 PolarHBondContact O-NZ 3.3Å
369	V	98.4	Very high	98.3	Very high	50 Å²	50	31.3 Å²	31.3	30%	0.303	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-58.2	174.2	177.3	0	0	0	0	110.9	L80 E280 S367 K371 V412	L80-V369 HydrophobicContact CD2-CG2 4.29Å; E280-V369 PolarHBondContact OE1-N 2.86Å; E280-V369 VanDerWaalsContact OE2-CG2 3.26Å; E280-V369 WeakPolarHBondContact OE2-CG2 3.5Å; S367-V369 VanDerWaalsContact C-N 3.29Å; S367-V369 PolarHBondContact O-N 3.02Å; V369-K371 VanDerWaalsContact C-N 3.34Å; V369-K371 PolarHBondContact O-N 3.12Å; V369-V412 HydrophobicContact CB-CG2 3.99Å; V369-V412 HydrophobicContact CG1-CG2 3.92Å; V369-V412 HydrophobicContact CG2-CG2 4.31Å
370	L	98	Very high	98.3	Very high	45 Å²	45	32.2 Å²	32.2	24%	0.236	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-12.4	-166.2	-54.4	167.1	0	0	0	113.4	S367 Y372 I374 F411 V412	S367-L370 WeakPolarHBondContact OG-CB 3.38Å; S367-L370 VanDerWaalsContact OG-CG 3.29Å; S367-L370 WeakPolarHBondContact OG-CG 3.39Å; S367-L370 PolarHBondContact OG-N 2.93Å; L370-Y372 HydrophobicContact CB-CD1 4.05Å; L370-Y372 HydrophobicContact CB-CD2 4.23Å; L370-Y372 HydrophobicContact CB-CE1 3.7Å; L370-Y372 HydrophobicContact CB-CE2 3.88Å; L370-Y372 HydrophobicContact CB-CG 4.31Å; L370-Y372 HydrophobicContact CD1-CE2 3.9Å; L370-Y372 HydrophobicContact CG-CE2 4.48Å; L370-Y372 WeakPolarHBondContact O-CD1 3.28Å; L370-Y372 WeakPolarHBondContact O-CE1 3.33Å; L370-Y372 PolarHBondContact O-N 2.97Å; L370-I374 HydrophobicContact CD1-CG2 4.18Å; L370-F411 HydrophobicContact CD1-CB 3.78Å; L370-V412 HydrophobicContact CD1-CG2 4.08Å; L370-V412 HydrophobicContact CD2-CG2 4.12Å; L370-V412 HydrophobicContact CG-CG2 3.99Å
371	K	97.6	Very high	98.3	Very high	155 Å²	155	27.9 Å²	27.9	67%	0.674	15%	0.153	S	C	*	.	S	Bend	trans	62.9	19.6	179.8	-43.6	-56.4	179.5	-174	0	114.8	S367 P368 V369	S367-K371 PolarHBondContact O-N 2.82Å; P368-K371 WeakPolarHBondContact O-CD 3.07Å; P368-K371 WeakPolarHBondContact O-CE 3.22Å; P368-K371 PolarHBondContact O-NZ 3.3Å; V369-K371 VanDerWaalsContact C-N 3.34Å; V369-K371 PolarHBondContact O-N 3.12Å
372	Y	97.8	Very high	98.2	Very high	65 Å²	65	34.8 Å²	34.8	26%	0.255	19%	0.186	S	C	.	.	S	Bend	trans	-135.6	173.3	173.5	53.9	-110.1	0	0	0	111.7	I337 S367 L370 I374	I337-Y372 HydrophobicContact CB-CD2 4.21Å; I337-Y372 HydrophobicContact CB-CE2 3.92Å; I337-Y372 HydrophobicContact CG2-CD2 4.34Å; I337-Y372 HydrophobicContact CG2-CE2 3.67Å; S367-Y372 WeakPolarHBondContact CB-O 3.47Å; S367-Y372 PolarHBondContact N-O 2.87Å; L370-Y372 HydrophobicContact CB-CD1 4.05Å; L370-Y372 HydrophobicContact CB-CD2 4.23Å; L370-Y372 HydrophobicContact CB-CE1 3.7Å; L370-Y372 HydrophobicContact CB-CE2 3.88Å; L370-Y372 HydrophobicContact CB-CG 4.31Å; L370-Y372 HydrophobicContact CD1-CE2 3.9Å; L370-Y372 HydrophobicContact CG-CE2 4.48Å; L370-Y372 WeakPolarHBondContact O-CD1 3.28Å; L370-Y372 WeakPolarHBondContact O-CE1 3.33Å; L370-Y372 PolarHBondContact O-N 2.97Å; Y372-I374 HydrophobicContact CD2-CG2 4.19Å; Y372-I374 HydrophobicContact CE2-CG2 4.09Å
373	N	98.3	Very high	98.2	Very high	16 Å²	16	35.6 Å²	35.6	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.8	-177.9	-58.2	-51.8	0	0	0	111	I337 S338 G341 P343	I337-N373 CarbonylContact C-O 3.54Å; I337-N373 WeakPolarHBondContact CA-O 3.4Å; S338-N373 PolarHBondContact N-O 2.93Å; S338-N373 WeakPolarHBondContact O-CB 3.39Å; S338-N373 PolarHBondContact O-N 2.98Å; G341-N373 PolarHBondContact O-ND2 3.41Å; P343-N373 HydrophobicContact CB-CB 4.39Å; P343-N373 WeakPolarHBondContact CB-OD1 3.37Å; P343-N373 WeakPolarHBondContact CG-OD1 3.38Å
374	I	98.8	Very high	98.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.2	173	63.9	168.5	0	0	0	110.3	L279 E280 L336 I337 G364 C365 L370 Y372 F411	L279-I374 HydrophobicContact CB-CD1 4.29Å; L279-I374 HydrophobicContact CD2-CD1 4.16Å; L279-I374 HydrophobicContact CD2-CG1 3.96Å; L279-I374 HydrophobicContact CG-CD1 3.86Å; L279-I374 HydrophobicContact CG-CG1 4.16Å; E280-I374 HydrophobicContact CB-CD1 4.1Å; E280-I374 HydrophobicContact CG-CD1 3.45Å; E280-I374 VanDerWaalsContact CG-CD1 3.45Å; L336-I374 CarbonylContact O-C 3.55Å; L336-I374 WeakPolarHBondContact O-CA 3.42Å; I337-I374 HydrophobicContact CG2-CG2 4.34Å; G364-I374 CarbonylContact C-O 3.52Å; G364-I374 VanDerWaalsContact CA-O 3.27Å; G364-I374 WeakPolarHBondContact CA-O 3.44Å; C365-I374 PolarHBondContact N-O 3.45Å; C365-I374 PolarHBondContact O-N 2.85Å; C365-I374 VanDerWaalsContact O-O 3.05Å; L370-I374 HydrophobicContact CD1-CG2 4.18Å; Y372-I374 HydrophobicContact CD2-CG2 4.19Å; Y372-I374 HydrophobicContact CE2-CG2 4.09Å; I374-F411 HydrophobicContact CB-CD1 3.98Å; I374-F411 HydrophobicContact CB-CD2 4.5Å; I374-F411 HydrophobicContact CB-CE1 3.86Å; I374-F411 HydrophobicContact CB-CE2 4.38Å; I374-F411 HydrophobicContact CB-CG 4.31Å; I374-F411 HydrophobicContact CB-CZ 4.06Å; I374-F411 HydrophobicContact CD1-CD2 4.05Å; I374-F411 HydrophobicContact CD1-CE2 4.35Å; I374-F411 HydrophobicContact CD1-CG 4.28Å; I374-F411 HydrophobicContact CG2-CB 4.43Å; I374-F411 HydrophobicContact CG2-CD1 3.67Å; I374-F411 HydrophobicContact CG2-CE1 4Å; I374-F411 HydrophobicContact CG2-CG 4.07Å
375	S	98.8	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	157.5	-178.3	48	0	0	0	0	112.6	L336 S363 F411	L336-S375 WeakPolarHBondContact CB-OG 3.43Å; L336-S375 PolarHBondContact N-O 3.22Å; L336-S375 PolarHBondContact O-N 2.87Å; L336-S375 PolarHBondContact O-OG 2.77Å; S363-S375 CarbonylContact O-C 3.5Å; S363-S375 WeakPolarHBondContact O-CA 3.39Å; S363-S375 WeakPolarHBondContact O-CB 3.17Å; S375-F411 WeakPolarHBondContact O-CZ 3.36Å
376	F	98.9	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.2	162.4	-71.6	-32	0	0	0	110.6	L279 G282 L283 D289 R333 V334 I361 T362 S363 T409 F411	L279-F376 HydrophobicContact CD1-CD1 4.21Å; L279-F376 HydrophobicContact CD1-CD2 3.46Å; L279-F376 VanDerWaalsContact CD1-CD2 3.46Å; L279-F376 HydrophobicContact CD1-CE1 4.22Å; L279-F376 HydrophobicContact CD1-CE2 3.53Å; L279-F376 HydrophobicContact CD1-CG 3.82Å; L279-F376 HydrophobicContact CD1-CZ 3.9Å; G282-F376 WeakPolarHBondContact O-CZ 3.42Å; L283-F376 WeakPolarHBondContact O-CE2 3.43Å; D289-F376 HydrophobicContact CB-CD2 4.4Å; R333-F376 HydrophobicContact CG-CB 4.38Å; R333-F376 HydrophobicContact CG-CG 4.4Å; R333-F376 VanDerWaalsContact NH1-CE2 3.34Å; V334-F376 WeakPolarHBondContact O-CA 3.13Å; I361-F376 CarbonylContact C-O 3.27Å; I361-F376 WeakPolarHBondContact CA-O 3.27Å; I361-F376 WeakPolarHBondContact CG2-O 3.2Å; T362-F376 PolarHBondContact N-O 2.83Å; T362-F376 VanDerWaalsContact OG1-CB 3.27Å; T362-F376 WeakPolarHBondContact OG1-CB 3.17Å; T362-F376 PolarHBondContact OG1-O 3.03Å; S363-F376 PolarHBondContact N-O 3.1Å; S363-F376 PolarHBondContact O-N 2.83Å; F376-T409 HydrophobicContact CE1-CG2 3.8Å; F376-F411 HydrophobicContact CD1-CE2 4.32Å; F376-F411 HydrophobicContact CD1-CZ 4.35Å; F376-F411 AromaticContact CE1-CE2 3.73Å; F376-F411 HydrophobicContact CE1-CE2 3.73Å; F376-F411 HydrophobicContact CE1-CZ 4.13Å; F376-F411 HydrophobicContact CZ-CE2 4.35Å
377	G	98.7	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	172.3	164.6	0	0	0	0	0	111.3	R333 V334 K360	R333-G377 CarbonylContact C-O 3.54Å; R333-G377 WeakPolarHBondContact CA-O 3.36Å; V334-G377 WeakPolarHBondContact CG2-O 3.08Å; V334-G377 PolarHBondContact N-O 3.26Å; V334-G377 PolarHBondContact O-N 3.08Å; K360-G377 CarbonylContact O-C 3.57Å; K360-G377 WeakPolarHBondContact O-CA 3.49Å
378	Y	98.9	Very high	98.2	Very high	25 Å²	25	42.8 Å²	42.8	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.1	174.6	-76.8	-93.9	0	0	0	110.8	D289 T294 E298 A299 K331 R332 R333 G359 K360 T362	D289-Y378 VanDerWaalsContact O-CE2 3.26Å; D289-Y378 WeakPolarHBondContact O-CE2 3.38Å; D289-Y378 PolarHBondContact O-OH 3.24Å; T294-Y378 HydrophobicContact CG2-CE1 3.91Å; T294-Y378 HydrophobicContact CG2-CE2 4.46Å; T294-Y378 VanDerWaalsContact CG2-OH 3.22Å; T294-Y378 WeakPolarHBondContact CG2-OH 3.33Å; E298-Y378 HydrophobicContact CB-CE1 4.12Å; E298-Y378 WeakPolarHBondContact O-CE1 3.27Å; A299-Y378 VanDerWaalsContact CA-OH 3.3Å; A299-Y378 WeakPolarHBondContact CA-OH 3.44Å; K331-Y378 HydrophobicContact CB-CD1 4.31Å; K331-Y378 HydrophobicContact CD-CD1 3.97Å; K331-Y378 HydrophobicContact CG-CD1 4.17Å; R332-Y378 WeakPolarHBondContact O-CA 3.35Å; R333-Y378 HydrophobicContact CB-CD1 4.31Å; R333-Y378 HydrophobicContact CB-CE1 3.74Å; R333-Y378 HydrophobicContact CB-CE2 4.19Å; R333-Y378 HydrophobicContact CG-CE2 4.3Å; G359-Y378 WeakPolarHBondContact CA-O 3.01Å; K360-Y378 PolarHBondContact N-O 3.04Å; K360-Y378 PolarHBondContact O-N 2.87Å; T362-Y378 HydrophobicContact CG2-CD2 3.74Å; T362-Y378 HydrophobicContact CG2-CE2 3.94Å
379	V	98.7	Very high	98.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.9	173.8	-60.4	0	0	0	0	110.4	K331 R332 V334 I350 V358 L383 A384 L390	K331-V379 CarbonylContact C-O 3.59Å; K331-V379 WeakPolarHBondContact CA-O 3.46Å; R332-V379 PolarHBondContact N-O 2.85Å; R332-V379 PolarHBondContact O-N 3.01Å; V334-V379 HydrophobicContact CB-CG2 4.5Å; V334-V379 HydrophobicContact CG1-CG2 3.78Å; V334-V379 HydrophobicContact CG2-CG1 4.14Å; V334-V379 HydrophobicContact CG2-CG2 3.84Å; I350-V379 HydrophobicContact CD1-CG1 3.74Å; I350-V379 HydrophobicContact CG2-CG1 4.14Å; V358-V379 WeakPolarHBondContact O-CA 3.27Å; V379-L383 HydrophobicContact CB-CB 4.28Å; V379-L383 HydrophobicContact CG2-CB 4.18Å; V379-A384 HydrophobicContact CG2-CB 4.22Å; V379-L390 HydrophobicContact CG1-CD1 3.95Å
380	P	98.3	Very high	98.2	Very high	36 Å²	36	46.2 Å²	46.2	23%	0.234	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	144.6	169.2	-29.3	33.8	0	0	0	113.1	S330 V358 Q382 L383 A384	S330-P380 CarbonylContact O-C 3.5Å; S330-P380 VanDerWaalsContact O-CA 3.28Å; S330-P380 WeakPolarHBondContact O-CA 3.27Å; V358-P380 WeakPolarHBondContact O-CD 3.35Å; P380-Q382 VanDerWaalsContact CB-OE1 3.24Å; P380-Q382 PolarHBondContact O-N 2.77Å; P380-Q382 VanDerWaalsContact O-N 3.1Å; P380-L383 WeakPolarHBondContact O-CA 3.28Å; P380-L383 PolarHBondContact O-N 2.73Å; P380-A384 PolarHBondContact O-N 2.72Å
381	S	97.7	Very high	98.2	Very high	31 Å²	31	47.3 Å²	47.3	22%	0.217	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-52.2	-36.4	-176.7	-85.7	0	0	0	0	114	V329 S330 R332 L383 A384	V329-S381 WeakPolarHBondContact O-CB 3.46Å; V329-S381 PolarHBondContact O-OG 2.92Å; S330-S381 PolarHBondContact O-N 2.84Å; R332-S381 PolarHBondContact NE-OG 3.32Å; R332-S381 VanDerWaalsContact NE-OG 3.17Å; S381-L383 PolarHBondContact O-N 3.45Å; S381-A384 WeakPolarHBondContact O-CB 3.38Å; S381-A384 PolarHBondContact O-N 3.14Å
382	Q	96.9	Very high	98.2	Very high	146 Å²	146	39.9 Å²	39.9	68%	0.682	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-69.7	-13.5	177.6	71.1	-80.7	16	0	0	114.4	P380	P380-Q382 VanDerWaalsContact CB-OE1 3.24Å; P380-Q382 PolarHBondContact O-N 2.77Å; P380-Q382 VanDerWaalsContact O-N 3.1Å
383	L	98.1	Very high	98	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.188	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-104	0.3	174.4	-58.9	-179.3	0	0	0	112.7	V358 V379 P380 S381 T385 T388 L390	V358-L383 HydrophobicContact CB-CD1 3.74Å; V358-L383 HydrophobicContact CG1-CD1 3.99Å; V358-L383 HydrophobicContact CG2-CD1 3.75Å; V379-L383 HydrophobicContact CB-CB 4.28Å; V379-L383 HydrophobicContact CG2-CB 4.18Å; P380-L383 WeakPolarHBondContact O-CA 3.28Å; P380-L383 PolarHBondContact O-N 2.73Å; S381-L383 PolarHBondContact O-N 3.45Å; L383-T385 VanDerWaalsContact C-N 3.3Å; L383-T385 PolarHBondContact O-N 3.01Å; L383-T388 HydrophobicContact CD2-CG2 4.47Å; L383-L390 HydrophobicContact CD1-CD2 4.26Å
384	A	97.9	Very high	97.6	Very high	24 Å²	24	36.7 Å²	36.7	20%	0.198	20%	0.201	C	C	.	.			trans	-84.7	3.3	-174.8	0	0	0	0	0	114.9	R332 V334 V379 P380 S381	R332-A384 HydrophobicContact CB-CB 3.94Å; R332-A384 HydrophobicContact CG-CB 4.44Å; V334-A384 HydrophobicContact CG1-CB 3.81Å; V379-A384 HydrophobicContact CG2-CB 4.22Å; P380-A384 PolarHBondContact O-N 2.72Å; S381-A384 WeakPolarHBondContact O-CB 3.38Å; S381-A384 PolarHBondContact O-N 3.14Å
385	T	97.9	Very high	96.9	Very high	90 Å²	90	39 Å²	39	55%	0.552	22%	0.215	S	C	*	.	S	Bend	trans	-71.6	136.7	180	-53.4	0	0	0	0	111.5	L383 G387 T388 V406	L383-T385 VanDerWaalsContact C-N 3.3Å; L383-T385 PolarHBondContact O-N 3.01Å; T385-G387 PolarHBondContact O-N 2.93Å; T385-T388 VanDerWaalsContact O-CB 3.28Å; T385-T388 WeakPolarHBondContact O-CB 3.26Å; T385-T388 PolarHBondContact O-N 3.11Å; T385-T388 VanDerWaalsContact O-N 3.12Å; T385-T388 PolarHBondContact O-OG1 3.46Å; T385-V406 WeakPolarHBondContact O-CB 3.48Å; T385-V406 WeakPolarHBondContact O-CG1 3.01Å
386	V	98.6	Very high	95.8	Very high	94 Å²	94	41.7 Å²	41.7	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	133.5	174.8	175.9	0	0	0	0	110.4	V406 K408	V386-V406 WeakPolarHBondContact CA-O 3.43Å; V386-K408 HydrophobicContact CG2-CB 4.32Å
387	G	98.4	Very high	94.8	Very high	30 Å²	30	50 Å²	50	31%	0.309	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-11.6	-173.3	0	0	0	0	0	114.4	T385 K389 V406	T385-G387 PolarHBondContact O-N 2.93Å; G387-K389 WeakPolarHBondContact O-CE 3.38Å; G387-K389 PolarHBondContact O-N 2.65Å; G387-V406 PolarHBondContact N-O 2.85Å
388	T	98.4	Very high	93.5	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.209	30%	0.303	C	S	.	.			trans	-61.7	125.2	177.4	-65.8	0	0	0	0	110.5	L383 T385 L390 V406	L383-T388 HydrophobicContact CD2-CG2 4.47Å; T385-T388 VanDerWaalsContact O-CB 3.28Å; T385-T388 WeakPolarHBondContact O-CB 3.26Å; T385-T388 PolarHBondContact O-N 3.11Å; T385-T388 VanDerWaalsContact O-N 3.12Å; T385-T388 PolarHBondContact O-OG1 3.46Å; T388-L390 HydrophobicContact CG2-CD2 4.27Å; T388-L390 HydrophobicContact CG2-CG 4.14Å; T388-V406 PolarHBondContact O-N 2.85Å
389	K	98.2	Very high	92.2	Very high	135 Å²	135	56.7 Å²	56.7	59%	0.587	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	128	178.8	-51.4	-66.6	165.6	165.3	0	109.5	G387 E405	G387-K389 WeakPolarHBondContact O-CE 3.38Å; G387-K389 PolarHBondContact O-N 2.65Å; K389-E405 HydrophobicContact CD-CB 4.28Å; K389-E405 HydrophobicContact CD-CG 4.35Å; K389-E405 WeakPolarHBondContact CE-OE1 2.95Å; K389-E405 IonicContact NZ-OE1 3.87Å; K389-E405 PolarHBondContact NZ-OE1 3.13Å; K389-E405 IonicContact NZ-OE2 2.73Å; K389-E405 PolarHBondContact NZ-OE2 3.28Å
390	L	98.2	Very high	91.4	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	178.3	177.4	-61.9	170.5	0	0	0	108.4	I350 N352 V358 V379 L383 T388 V404 V406	I350-L390 HydrophobicContact CG2-CB 4Å; I350-L390 HydrophobicContact CG2-CD1 3.83Å; I350-L390 HydrophobicContact CG2-CG 4.43Å; N352-L390 HydrophobicContact CB-CD2 4.47Å; V358-L390 HydrophobicContact CG2-CD2 4.26Å; V379-L390 HydrophobicContact CG1-CD1 3.95Å; L383-L390 HydrophobicContact CD1-CD2 4.26Å; T388-L390 HydrophobicContact CG2-CD2 4.27Å; T388-L390 HydrophobicContact CG2-CG 4.14Å; L390-V404 HydrophobicContact CB-CG2 3.8Å; L390-V404 PolarHBondContact N-O 2.96Å; L390-V404 WeakPolarHBondContact O-CG2 3.16Å; L390-V404 PolarHBondContact O-N 3.31Å; L390-V406 HydrophobicContact CD1-CG2 4.16Å
391	R	97.2	Very high	91.1	Very high	67 Å²	67	62.2 Å²	62.2	25%	0.253	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.8	171.9	-73.6	171	-58.2	-174	3	110.4	I350 V351 N352 S353 L401 V402 D403	I350-R391 CarbonylContact C-O 3.57Å; I350-R391 WeakPolarHBondContact CA-O 3.38Å; V351-R391 HydrophobicContact CG2-CB 3.72Å; V351-R391 PolarHBondContact N-O 2.87Å; V351-R391 PolarHBondContact O-N 3.06Å; N352-R391 PolarHBondContact O-NH2 2.91Å; S353-R391 PolarHBondContact O-NH2 2.96Å; R391-L401 HydrophobicContact CB-CB 4.17Å; R391-L401 HydrophobicContact CB-CD1 4.4Å; R391-L401 HydrophobicContact CG-CB 4.43Å; R391-V402 CarbonylContact C-O 3.55Å; R391-V402 VanDerWaalsContact CA-O 3.29Å; R391-V402 WeakPolarHBondContact CA-O 3.16Å; R391-D403 WeakPolarHBondContact CD-OD1 3.24Å; R391-D403 WeakPolarHBondContact CG-OD1 3.38Å
392	V	97.4	Very high	91	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	172.6	177.9	0	0	0	0	109.5	P344 Y348 S349 I350 I361 C394 L401 V402 V404	P344-V392 HydrophobicContact CB-CB 4.47Å; P344-V392 HydrophobicContact CB-CG1 4.16Å; P344-V392 HydrophobicContact CB-CG2 4.31Å; P344-V392 HydrophobicContact CG-CB 4.5Å; P344-V392 HydrophobicContact CG-CG2 4.38Å; Y348-V392 HydrophobicContact CD2-CG1 4.14Å; Y348-V392 HydrophobicContact CG-CG1 4.34Å; S349-V392 WeakPolarHBondContact O-CA 3.23Å; I350-V392 HydrophobicContact CG1-CG2 4.32Å; I361-V392 HydrophobicContact CD1-CG2 3.88Å; I361-V392 HydrophobicContact CG1-CG1 3.95Å; I361-V392 HydrophobicContact CG1-CG2 4.07Å; V392-C394 PolarHBondContact O-N 2.86Å; V392-C394 VanDerWaalsContact O-N 3.09Å; V392-L401 CarbonylContact O-C 3.59Å; V392-L401 WeakPolarHBondContact O-CA 3.3Å; V392-V402 PolarHBondContact N-O 2.74Å; V392-V402 PolarHBondContact O-N 3.26Å; V392-V404 HydrophobicContact CB-CG1 4.35Å; V392-V404 HydrophobicContact CG2-CB 4.47Å; V392-V404 HydrophobicContact CG2-CG1 3.63Å; V392-V404 HydrophobicContact CG2-CG2 3.95Å
393	D	94.4	Very high	91	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.059	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	93	169.4	174.1	13.2	0	0	0	110.2	Y348 S349 T395 G396 K397 G398 L401	Y348-D393 WeakPolarHBondContact CB-O 3.22Å; S349-D393 PolarHBondContact O-N 3Å; D393-T395 PolarHBondContact O-N 2.82Å; D393-T395 WeakPolarHBondContact OD1-CA 3.25Å; D393-T395 WeakPolarHBondContact OD1-CB 3.47Å; D393-T395 PolarHBondContact OD1-N 2.92Å; D393-T395 PolarHBondContact OD1-OG1 3.42Å; D393-G396 PolarHBondContact OD1-N 2.78Å; D393-G396 WeakPolarHBondContact OD2-CA 3.35Å; D393-G396 PolarHBondContact OD2-N 3.24Å; D393-G396 VanDerWaalsContact OD2-N 3.15Å; D393-K397 PolarHBondContact OD2-N 2.9Å; D393-G398 VanDerWaalsContact CG-N 3.33Å; D393-G398 PolarHBondContact OD2-N 2.84Å; D393-L401 HydrophobicContact CB-CD2 3.93Å
394	C	90.2	Very high	91	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.02	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	20.6	177.1	-68.7	0	0	0	0	113.4	R342 Y348 V392 Q400 V402	R342-C394 HydrophobicContact CB-CB 4.15Å; Y348-C394 HydrophobicContact CD2-CB 4.08Å; Y348-C394 HydrophobicContact CE2-CB 3.88Å; V392-C394 PolarHBondContact O-N 2.86Å; V392-C394 VanDerWaalsContact O-N 3.09Å; C394-Q400 PolarHBondContact N-O 2.97Å; C394-Q400 VanDerWaalsContact N-O 3.11Å; C394-V402 HydrophobicContact CB-CG2 4.04Å
395	T	84.1	Confident	91	Very high	48 Å²	48	60 Å²	60	29%	0.294	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-18.2	174.9	43.7	0	0	0	0	115.2	D393 K397 Q400	D393-T395 PolarHBondContact O-N 2.82Å; D393-T395 WeakPolarHBondContact OD1-CA 3.25Å; D393-T395 WeakPolarHBondContact OD1-CB 3.47Å; D393-T395 PolarHBondContact OD1-N 2.92Å; D393-T395 PolarHBondContact OD1-OG1 3.42Å; T395-K397 PolarHBondContact O-N 2.85Å; T395-Q400 HydrophobicContact CG2-CB 3.79Å; T395-Q400 HydrophobicContact CG2-CG 4.05Å; T395-Q400 PolarHBondContact OG1-N 3.36Å
396	G	75.1	Confident	91.1	Very high	56 Å²	56	55.9 Å²	55.9	58%	0.577	32%	0.317	S	S	*	.	S	Bend	trans	64.3	28.6	-171.1	0	0	0	0	0	113.4	D393	D393-G396 PolarHBondContact OD1-N 2.78Å; D393-G396 WeakPolarHBondContact OD2-CA 3.35Å; D393-G396 PolarHBondContact OD2-N 3.24Å; D393-G396 VanDerWaalsContact OD2-N 3.15Å
397	K	76.9	Confident	91.1	Very high	175 Å²	175	53.2 Å²	53.2	76%	0.761	30%	0.301	S	S	*	.	S	Bend	trans	-142	1.8	-175.2	-65.2	-169.9	177	-170.6	0	113.9	D393 T395 V399	D393-K397 PolarHBondContact OD2-N 2.9Å; T395-K397 PolarHBondContact O-N 2.85Å; K397-V399 HydrophobicContact CB-CG2 4.03Å; K397-V399 WeakPolarHBondContact O-CG2 3.46Å; K397-V399 PolarHBondContact O-N 3.09Å
398	G	72.7	Confident	91.1	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	32%	0.32	S	S	.	.	S	Bend	trans	71	-0.9	-174	0	0	0	0	0	115.9	D393	D393-G398 VanDerWaalsContact CG-N 3.33Å; D393-G398 PolarHBondContact OD2-N 2.84Å
399	V	70.5	Confident	91	Very high	115 Å²	115	60 Å²	60	70%	0.697	32%	0.324	S	S	*	.	S	Bend	trans	-86.1	-35.8	-169	-173.9	0	0	0	0	113.2	K397	K397-V399 HydrophobicContact CB-CG2 4.03Å; K397-V399 WeakPolarHBondContact O-CG2 3.46Å; K397-V399 PolarHBondContact O-N 3.09Å
400	Q	81.8	Confident	91	Very high	90 Å²	90	55.6 Å²	55.6	42%	0.421	31%	0.309	S	S	.	.			trans	-121.4	84.4	-180	-64.2	-169.8	-35.9	0	0	110.9	C394 T395	C394-Q400 PolarHBondContact N-O 2.97Å; C394-Q400 VanDerWaalsContact N-O 3.11Å; T395-Q400 HydrophobicContact CG2-CB 3.79Å; T395-Q400 HydrophobicContact CG2-CG 4.05Å; T395-Q400 PolarHBondContact OG1-N 3.36Å
401	L	92.3	Very high	91.1	Very high	65 Å²	65	56.3 Å²	56.3	34%	0.34	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.1	168.1	-60.1	-173.8	0	0	0	110.2	V351 R391 V392 D393	V351-L401 HydrophobicContact CG2-CD1 4.19Å; V351-L401 HydrophobicContact CG2-CD2 3.82Å; R391-L401 HydrophobicContact CB-CB 4.17Å; R391-L401 HydrophobicContact CB-CD1 4.4Å; R391-L401 HydrophobicContact CG-CB 4.43Å; V392-L401 CarbonylContact O-C 3.59Å; V392-L401 WeakPolarHBondContact O-CA 3.3Å; D393-L401 HydrophobicContact CB-CD2 3.93Å
402	V	95.2	Very high	91.1	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.085	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.3	171.3	172.7	0	0	0	0	107.9	S338 R342 R391 V392 C394	S338-V402 VanDerWaalsContact OG-CG1 3.22Å; S338-V402 WeakPolarHBondContact OG-CG1 3.49Å; R342-V402 HydrophobicContact CB-CG2 4.48Å; R391-V402 CarbonylContact C-O 3.55Å; R391-V402 VanDerWaalsContact CA-O 3.29Å; R391-V402 WeakPolarHBondContact CA-O 3.16Å; V392-V402 PolarHBondContact N-O 2.74Å; V392-V402 PolarHBondContact O-N 3.26Å; C394-V402 HydrophobicContact CB-CG2 4.04Å
403	D	97	Very high	91.2	Very high	121 Å²	121	58 Å²	58	65%	0.647	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	134.8	176.5	-64.7	-42.9	0	0	0	110.9	S338 R391	S338-D403 VanDerWaalsContact CB-O 3.3Å; S338-D403 WeakPolarHBondContact CB-O 3.48Å; S338-D403 PolarHBondContact OG-O 3.09Å; R391-D403 WeakPolarHBondContact CD-OD1 3.24Å; R391-D403 WeakPolarHBondContact CG-OD1 3.38Å
404	V	98.3	Very high	91.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155	176.8	-58.1	0	0	0	0	111.3	L336 I337 P344 L390 V392	L336-V404 HydrophobicContact CD2-CB 4.31Å; L336-V404 HydrophobicContact CD2-CG2 3.9Å; I337-V404 VanDerWaalsContact O-CA 3.25Å; I337-V404 WeakPolarHBondContact O-CA 3.43Å; P344-V404 HydrophobicContact CG-CG1 4Å; L390-V404 HydrophobicContact CB-CG2 3.8Å; L390-V404 PolarHBondContact N-O 2.96Å; L390-V404 WeakPolarHBondContact O-CG2 3.16Å; L390-V404 PolarHBondContact O-N 3.31Å; V392-V404 HydrophobicContact CB-CG1 4.35Å; V392-V404 HydrophobicContact CG2-CB 4.47Å; V392-V404 HydrophobicContact CG2-CG1 3.63Å; V392-V404 HydrophobicContact CG2-CG2 3.95Å
405	E	98.5	Very high	91.7	Very high	52 Å²	52	65.8 Å²	65.8	24%	0.243	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.2	177.9	172.3	165.4	-152.9	0	0	110.6	L336 I337 K389 T407	L336-E405 WeakPolarHBondContact CA-O 3.37Å; I337-E405 HydrophobicContact CG1-CB 3.96Å; I337-E405 PolarHBondContact N-O 2.78Å; I337-E405 PolarHBondContact O-N 2.95Å; K389-E405 HydrophobicContact CD-CB 4.28Å; K389-E405 HydrophobicContact CD-CG 4.35Å; K389-E405 WeakPolarHBondContact CE-OE1 2.95Å; K389-E405 IonicContact NZ-OE1 3.87Å; K389-E405 PolarHBondContact NZ-OE1 3.13Å; K389-E405 IonicContact NZ-OE2 2.73Å; K389-E405 PolarHBondContact NZ-OE2 3.28Å; E405-T407 PolarHBondContact O-N 3.29Å
406	V	98.8	Very high	92.4	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.8	173	176.9	0	0	0	0	109	V334 G335 L336 T385 V386 G387 T388 L390	V334-V406 HydrophobicContact CB-CG1 4.06Å; V334-V406 HydrophobicContact CB-CG2 4.47Å; V334-V406 HydrophobicContact CG1-CG1 3.88Å; V334-V406 HydrophobicContact CG1-CG2 4.48Å; V334-V406 HydrophobicContact CG2-CG2 4.49Å; G335-V406 CarbonylContact O-C 3.48Å; G335-V406 WeakPolarHBondContact O-CA 3.43Å; L336-V406 HydrophobicContact CD2-CB 4.46Å; L336-V406 HydrophobicContact CD2-CG2 3.71Å; T385-V406 WeakPolarHBondContact O-CB 3.48Å; T385-V406 WeakPolarHBondContact O-CG1 3.01Å; V386-V406 WeakPolarHBondContact CA-O 3.43Å; G387-V406 PolarHBondContact N-O 2.85Å; T388-V406 PolarHBondContact O-N 2.85Å; L390-V406 HydrophobicContact CD1-CG2 4.16Å
407	T	98.6	Very high	93.5	Very high	38 Å²	38	66.8 Å²	66.8	23%	0.233	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	163.4	-179.3	-164.9	0	0	0	0	112.1	G335 I337 E405 F411	G335-T407 PolarHBondContact O-N 3.23Å; I337-T407 HydrophobicContact CG2-CG2 3.65Å; E405-T407 PolarHBondContact O-N 3.29Å; T407-F411 HydrophobicContact CG2-CD1 3.6Å; T407-F411 HydrophobicContact CG2-CE1 3.46Å; T407-F411 VanDerWaalsContact CG2-CE1 3.46Å; T407-F411 HydrophobicContact CG2-CZ 4.48Å
408	K	98.2	Very high	94.3	Very high	160 Å²	160	63.2 Å²	63.2	70%	0.696	34%	0.337	S	S	*	.			trans	-71.1	141.1	167.9	-177.3	177.5	177.7	-175.9	0	110	V386	V386-K408 HydrophobicContact CG2-CB 4.32Å
409	T	97.9	Very high	95	Very high	48 Å²	48	65.8 Å²	65.8	29%	0.294	33%	0.331	S	S	.	.	S	Bend	trans	-107.5	151.7	171.8	55.3	0	0	0	0	110.8	F376 F411	F376-T409 HydrophobicContact CE1-CG2 3.8Å; T409-F411 HydrophobicContact CG2-CD2 4.36Å; T409-F411 HydrophobicContact CG2-CE2 3.97Å; T409-F411 HydrophobicContact CG2-CZ 4.16Å
410	P	98.5	Very high	95.5	Very high	42 Å²	42	67 Å²	67	27%	0.273	33%	0.327	S	S	.	.			cis	-67.9	156.7	-1.8	35.5	-40.9	0	0	0	112	A281 V412	A281-P410 VanDerWaalsContact C-CB 3.47Å; A281-P410 WeakPolarHBondContact O-CB 3.45Å; P410-V412 VanDerWaalsContact CB-O 3.27Å; P410-V412 WeakPolarHBondContact CB-O 3.31Å; P410-V412 WeakPolarHBondContact CG-O 3.37Å
411	F	98.6	Very high	94.7	Very high	21 Å²	21	72.2 Å²	72.2	9%	0.092	35%	0.348	C	S	.	.	S	Bend	trans	-74.8	-31.3	-180	-55.3	-98.8	0	0	0	111.4	L279 E280 I337 L370 I374 S375 F376 T407 T409	L279-F411 WeakPolarHBondContact O-CD2 3.18Å; L279-F411 VanDerWaalsContact O-CE2 3.32Å; L279-F411 WeakPolarHBondContact O-CE2 3.29Å; E280-F411 PolarHBondContact O-N 3.02Å; I337-F411 HydrophobicContact CG2-CD1 3.85Å; I337-F411 HydrophobicContact CG2-CE1 3.9Å; L370-F411 HydrophobicContact CD1-CB 3.78Å; I374-F411 HydrophobicContact CB-CD1 3.98Å; I374-F411 HydrophobicContact CB-CD2 4.5Å; I374-F411 HydrophobicContact CB-CE1 3.86Å; I374-F411 HydrophobicContact CB-CE2 4.38Å; I374-F411 HydrophobicContact CB-CG 4.31Å; I374-F411 HydrophobicContact CB-CZ 4.06Å; I374-F411 HydrophobicContact CD1-CD2 4.05Å; I374-F411 HydrophobicContact CD1-CE2 4.35Å; I374-F411 HydrophobicContact CD1-CG 4.28Å; I374-F411 HydrophobicContact CG2-CB 4.43Å; I374-F411 HydrophobicContact CG2-CD1 3.67Å; I374-F411 HydrophobicContact CG2-CE1 4Å; I374-F411 HydrophobicContact CG2-CG 4.07Å; S375-F411 WeakPolarHBondContact O-CZ 3.36Å; F376-F411 HydrophobicContact CD1-CE2 4.32Å; F376-F411 HydrophobicContact CD1-CZ 4.35Å; F376-F411 AromaticContact CE1-CE2 3.73Å; F376-F411 HydrophobicContact CE1-CE2 3.73Å; F376-F411 HydrophobicContact CE1-CZ 4.13Å; F376-F411 HydrophobicContact CZ-CE2 4.35Å; T407-F411 HydrophobicContact CG2-CD1 3.6Å; T407-F411 HydrophobicContact CG2-CE1 3.46Å; T407-F411 VanDerWaalsContact CG2-CE1 3.46Å; T407-F411 HydrophobicContact CG2-CZ 4.48Å; T409-F411 HydrophobicContact CG2-CD2 4.36Å; T409-F411 HydrophobicContact CG2-CE2 3.97Å; T409-F411 HydrophobicContact CG2-CZ 4.16Å
412	V	98.6	Very high	93	Very high	13 Å²	13	74 Å²	74	8%	0.079	37%	0.372	C	S	.	.	S	Bend	trans	-117	133.2	169.2	178.3	0	0	0	0	107.7	E280 V369 L370 P410	E280-V412 HydrophobicContact CB-CB 4.31Å; E280-V412 HydrophobicContact CB-CG2 4.04Å; E280-V412 HydrophobicContact CG-CG2 4.01Å; E280-V412 PolarHBondContact O-N 2.86Å; E280-V412 VanDerWaalsContact O-N 3.15Å; E280-V412 WeakPolarHBondContact OE2-CG2 3.16Å; V369-V412 HydrophobicContact CB-CG2 3.99Å; V369-V412 HydrophobicContact CG1-CG2 3.92Å; V369-V412 HydrophobicContact CG2-CG2 4.31Å; L370-V412 HydrophobicContact CD1-CG2 4.08Å; L370-V412 HydrophobicContact CD2-CG2 4.12Å; L370-V412 HydrophobicContact CG-CG2 3.99Å; P410-V412 VanDerWaalsContact CB-O 3.27Å; P410-V412 WeakPolarHBondContact CB-O 3.31Å; P410-V412 WeakPolarHBondContact CG-O 3.37Å
413	P	98.3	Very high	90.9	Very high	90 Å²	90	76.9 Å²	76.9	58%	0.584	39%	0.385	S	S	*	.			trans	-55.3	151.3	179.3	-26.8	35.8	0	0	0	113.7
414	H	98.2	Very high	88.7	Confident	70 Å²	70	81.4 Å²	81.4	32%	0.324	39%	0.393	S	S	.	.			trans	-82.1	148.3	173.9	-56.1	139.5	0	0	0	112	G237 A281 Y416	G237-H414 CarbonylContact O-C 3.58Å; G237-H414 VanDerWaalsContact O-CA 3.22Å; G237-H414 WeakPolarHBondContact O-CA 3.41Å; A281-H414 PolarHBondContact O-NE2 3.06Å; H414-Y416 HydrophobicContact CB-CD2 3.65Å; H414-Y416 HydrophobicContact CB-CE2 3.64Å; H414-Y416 HydrophobicContact CB-CG 4.12Å; H414-Y416 AromaticContact CD2-CE2 3.95Å; H414-Y416 AromaticContact CD2-CZ 3.89Å; H414-Y416 AromaticContact CE1-CE2 3.86Å; H414-Y416 AromaticContact CG-CD2 3.97Å; H414-Y416 AromaticContact CG-CE2 3.43Å; H414-Y416 VanDerWaalsContact CG-CE2 3.43Å; H414-Y416 AromaticContact CG-CZ 3.82Å; H414-Y416 AromaticContact ND1-CE2 3.4Å; H414-Y416 WeakPolarHBondContact ND1-CE2 3.42Å
415	H	98.1	Very high	88.2	Confident	107 Å²	107	85.3 Å²	85.3	50%	0.495	41%	0.411	S	S	.	.			trans	-113.6	23.2	175.5	-57.4	128.5	0	0	0	113.4	G237 E238 Y417	G237-H415 PolarHBondContact O-N 3.24Å; E238-H415 IonicContact OE1-ND1 2.76Å; E238-H415 IonicContact OE2-CE1 3.34Å; E238-H415 IonicContact OE2-CG 3.83Å; E238-H415 IonicContact OE2-ND1 3.21Å; E238-H415 PolarHBondContact OE2-ND1 3.02Å; H415-Y417 PolarHBondContact O-N 2.8Å
416	Y	98.1	Very high	87.7	Confident	43 Å²	43	87.1 Å²	87.1	17%	0.169	42%	0.42	C	S	.	.			trans	-51.9	132.4	-179.8	-57.8	-40.7	0	0	0	113.6	F214 E238 H414 L418	F214-Y416 HydrophobicContact CD1-CD2 4.17Å; F214-Y416 HydrophobicContact CD1-CG 4.02Å; F214-Y416 AromaticContact CD2-CD1 3.75Å; F214-Y416 HydrophobicContact CD2-CD1 3.75Å; F214-Y416 HydrophobicContact CD2-CE1 4.36Å; F214-Y416 AromaticContact CD2-CG 3.92Å; F214-Y416 HydrophobicContact CD2-CG 3.92Å; F214-Y416 HydrophobicContact CE1-CD1 4.35Å; F214-Y416 AromaticContact CE1-CD2 3.74Å; F214-Y416 HydrophobicContact CE1-CD2 3.74Å; F214-Y416 HydrophobicContact CE1-CE2 4.03Å; F214-Y416 AromaticContact CE1-CG 3.92Å; F214-Y416 HydrophobicContact CE1-CG 3.92Å; F214-Y416 AromaticContact CE2-CD1 3.44Å; F214-Y416 HydrophobicContact CE2-CD1 3.44Å; F214-Y416 VanDerWaalsContact CE2-CD1 3.44Å; F214-Y416 HydrophobicContact CE2-CD2 4.31Å; F214-Y416 AromaticContact CE2-CE1 3.6Å; F214-Y416 HydrophobicContact CE2-CE1 3.6Å; F214-Y416 HydrophobicContact CE2-CE2 4.45Å; F214-Y416 AromaticContact CE2-CG 3.82Å; F214-Y416 HydrophobicContact CE2-CG 3.82Å; F214-Y416 HydrophobicContact CG-CD1 4.33Å; F214-Y416 HydrophobicContact CG-CG 4.03Å; F214-Y416 AromaticContact CZ-CD1 3.78Å; F214-Y416 HydrophobicContact CZ-CD1 3.78Å; F214-Y416 AromaticContact CZ-CD2 3.83Å; F214-Y416 HydrophobicContact CZ-CD2 3.83Å; F214-Y416 AromaticContact CZ-CE1 3.74Å; F214-Y416 HydrophobicContact CZ-CE1 3.74Å; F214-Y416 AromaticContact CZ-CE2 3.8Å; F214-Y416 HydrophobicContact CZ-CE2 3.8Å; F214-Y416 AromaticContact CZ-CG 3.82Å; F214-Y416 HydrophobicContact CZ-CG 3.82Å; F214-Y416 AromaticContact CZ-CZ 3.74Å; E238-Y416 WeakPolarHBondContact O-CD1 3.3Å; H414-Y416 HydrophobicContact CB-CD2 3.65Å; H414-Y416 HydrophobicContact CB-CE2 3.64Å; H414-Y416 HydrophobicContact CB-CG 4.12Å; H414-Y416 AromaticContact CD2-CE2 3.95Å; H414-Y416 AromaticContact CD2-CZ 3.89Å; H414-Y416 AromaticContact CE1-CE2 3.86Å; H414-Y416 AromaticContact CG-CD2 3.97Å; H414-Y416 AromaticContact CG-CE2 3.43Å; H414-Y416 VanDerWaalsContact CG-CE2 3.43Å; H414-Y416 AromaticContact CG-CZ 3.82Å; H414-Y416 AromaticContact ND1-CE2 3.4Å; H414-Y416 WeakPolarHBondContact ND1-CE2 3.42Å; Y416-L418 PolarHBondContact O-N 3.34Å
417	Y	97.8	Very high	87.1	Confident	82 Å²	82	91.8 Å²	91.8	32%	0.322	44%	0.443	S	S	.	.			trans	-76.1	89.5	179.5	-173.7	-107.6	0	0	0	112.7	R210 F213 F214 R232 D239 H415	R210-Y417 WeakPolarHBondContact O-CE1 3.11Å; R210-Y417 PolarHBondContact O-OH 2.79Å; R210-Y417 VanDerWaalsContact O-OH 3.11Å; F213-Y417 AromaticContact CD1-CD1 3.86Å; F213-Y417 HydrophobicContact CD1-CD1 3.86Å; F213-Y417 AromaticContact CD1-CE1 3.58Å; F213-Y417 HydrophobicContact CD1-CE1 3.58Å; F213-Y417 HydrophobicContact CE1-CD1 4.44Å; F213-Y417 AromaticContact CE1-CE1 3.72Å; F213-Y417 HydrophobicContact CE1-CE1 3.72Å; F214-Y417 WeakPolarHBondContact CB-O 3.49Å; F214-Y417 PolarHBondContact N-O 3.11Å; R232-Y417 VanDerWaalsContact CZ-CD1 3.41Å; R232-Y417 VanDerWaalsContact NH1-CD1 3.34Å; R232-Y417 VanDerWaalsContact NH2-CB 3.27Å; D239-Y417 WeakPolarHBondContact OD1-CB 3.38Å; H415-Y417 PolarHBondContact O-N 2.8Å
418	L	95.1	Very high	86.4	Confident	101 Å²	101	94.9 Å²	94.9	53%	0.529	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-96.5	133.1	-174.5	-65.4	168.2	0	0	0	113.1	F214 Y416 K420	F214-L418 HydrophobicContact CB-CD2 4.19Å; F214-L418 HydrophobicContact CD1-CD2 4.01Å; Y416-L418 PolarHBondContact O-N 3.34Å; L418-K420 PolarHBondContact O-N 2.76Å
419	R	86.8	Confident	85.7	Confident	104 Å²	104	90.9 Å²	90.9	39%	0.392	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.8	125.7	167.7	-170.9	170	173	167.6	-5.1	110.4	F213 E423 R424	F213-R419 HydrophobicContact CB-CB 4.35Å; F213-R419 VanDerWaalsContact CD1-CA 3.49Å; F213-R419 HydrophobicContact CD1-CB 3.62Å; F213-R419 HydrophobicContact CD1-CG 4.4Å; F213-R419 VanDerWaalsContact CD1-N 3.29Å; F213-R419 HydrophobicContact CD2-CB 3.87Å; F213-R419 HydrophobicContact CD2-CG 4.18Å; F213-R419 HydrophobicContact CE1-CB 3.77Å; F213-R419 HydrophobicContact CE1-CG 4.11Å; F213-R419 HydrophobicContact CE2-CB 4.02Å; F213-R419 HydrophobicContact CE2-CG 3.87Å; F213-R419 HydrophobicContact CG-CB 3.66Å; F213-R419 HydrophobicContact CG-CG 4.42Å; F213-R419 HydrophobicContact CZ-CB 3.96Å; F213-R419 HydrophobicContact CZ-CG 3.83Å; R419-E423 HydrophobicContact CG-CB 3.91Å; R419-E423 PolarHBondContact NE-O 2.88Å; R419-E423 PolarHBondContact NH2-O 3.47Å; R419-R424 HydrophobicContact CB-CG 4.45Å; R419-R424 HydrophobicContact CG-CG 4.05Å; R419-R424 PolarHBondContact O-NE 3.22Å
420	K	80.2	Confident	84.8	Confident	141 Å²	141	93.7 Å²	93.7	61%	0.613	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-66.7	154.2	-172	-54.6	-173.1	-157.7	106.1	0	110.7	L418 A422 E423	L418-K420 PolarHBondContact O-N 2.76Å; K420-A422 PolarHBondContact O-N 2.96Å; K420-E423 HydrophobicContact CB-CG 4.16Å; K420-E423 WeakPolarHBondContact CB-OE2 3.36Å; K420-E423 WeakPolarHBondContact CD-OE1 3.47Å; K420-E423 WeakPolarHBondContact CG-OE2 3.49Å; K420-E423 PolarHBondContact N-OE2 3.27Å; K420-E423 IonicContact NZ-OE1 2.74Å; K420-E423 PolarHBondContact NZ-OE1 3.15Å; K420-E423 WeakPolarHBondContact O-CB 3.15Å; K420-E423 PolarHBondContact O-N 2.62Å
421	K	66.5	Low	83.9	Confident	198 Å²	198	97.4 Å²	97.4	86%	0.861	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25	177.9	-85.8	-169.4	172.4	-173.8	0	114.5	E423	K421-E423 VanDerWaalsContact C-N 3.27Å
422	A	55.4	Low	82.7	Confident	102 Å²	102	103.3 Å²	103.3	84%	0.843	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-82.8	-3.1	176	0	0	0	0	0	113.7	K420	K420-A422 PolarHBondContact O-N 2.96Å
423	E	52.5	Low	81.4	Confident	76 Å²	76	110.8 Å²	110.8	36%	0.355	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-112.7	-0.4	-177.9	-62.5	158.3	-177.7	0	0	111.6	R419 K420 K421	R419-E423 HydrophobicContact CG-CB 3.91Å; R419-E423 PolarHBondContact NE-O 2.88Å; R419-E423 PolarHBondContact NH2-O 3.47Å; K420-E423 HydrophobicContact CB-CG 4.16Å; K420-E423 WeakPolarHBondContact CB-OE2 3.36Å; K420-E423 WeakPolarHBondContact CD-OE1 3.47Å; K420-E423 WeakPolarHBondContact CG-OE2 3.49Å; K420-E423 PolarHBondContact N-OE2 3.27Å; K420-E423 IonicContact NZ-OE1 2.74Å; K420-E423 PolarHBondContact NZ-OE1 3.15Å; K420-E423 WeakPolarHBondContact O-CB 3.15Å; K420-E423 PolarHBondContact O-N 2.62Å; K421-E423 VanDerWaalsContact C-N 3.27Å
424	R	49.9	Very low	79.9	Confident	216 Å²	216	112.7 Å²	112.7	82%	0.815	52%	0.52	S	S	*	.			trans	-106.8	0	-177.3	-70.9	-177.7	-177.8	-127.1	1	111	R419	R419-R424 HydrophobicContact CB-CG 4.45Å; R419-R424 HydrophobicContact CG-CG 4.05Å; R419-R424 PolarHBondContact O-NE 3.22Å

Retrieved 424 of 424 residues in 134.3 ms (Link to these results)

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