A0A3Q0KLI8_SCHMA Loading...

Putative shoc2

AlphaFold DB , UniProt , Accession A0A3Q0KLI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	27.9	Very low	252 Å²	252	118.1 Å²	118.1	100%	1.241	86%	0.856	S	S	*	*				0	106.8	0	-73.2	-168	-139.3	0	0	107
2	L	26.1	Very low	27.7	Very low	185 Å²	185	117.8 Å²	117.8	97%	0.969	85%	0.851	S	S	*	*			trans	-108.9	114	176.1	-81.4	163.1	0	0	0	107.3
3	A	27.1	Very low	28.1	Very low	99 Å²	99	115.8 Å²	115.8	82%	0.818	83%	0.829	S	S	*	*			trans	-174.3	135.3	163	0	0	0	0	0	104.1
4	S	29.5	Very low	28.2	Very low	117 Å²	117	114.4 Å²	114.4	82%	0.818	82%	0.815	S	S	*	*			cis	-163.1	133.5	23.8	42.7	0	0	0	0	107.1
5	G	25.6	Very low	28.2	Very low	83 Å²	83	115.8 Å²	115.8	86%	0.856	81%	0.809	S	S	*	*			trans	-76	139.8	165	0	0	0	0	0	110.5
6	A	28.6	Very low	28.5	Very low	101 Å²	101	112.9 Å²	112.9	84%	0.835	79%	0.788	S	S	*	*			trans	-117.4	89.6	160.8	0	0	0	0	0	106.5
7	G	28.9	Very low	28.4	Very low	79 Å²	79	111.7 Å²	111.7	81%	0.814	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.3	168.7	0	0	0	0	0	108.8
8	T	27.9	Very low	28.5	Very low	140 Å²	140	115.2 Å²	115.2	86%	0.859	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64.2	126.3	173.7	44.7	0	0	0	0	109.7	G10	T8-G10 PolarHBondContact O-N 3.19Å
9	G	24.6	Very low	28.7	Very low	78 Å²	78	119.7 Å²	119.7	80%	0.804	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.1	-176.9	0	0	0	0	0	112.3
10	G	26.3	Very low	28.8	Very low	76 Å²	76	118.8 Å²	118.8	78%	0.784	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.4	126.8	162.3	0	0	0	0	0	109.2	T8 S12	T8-G10 PolarHBondContact O-N 3.19Å; G10-S12 PolarHBondContact O-N 3.48Å
11	S	28.8	Very low	28.6	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	77%	0.771	S	S	*	*			trans	-63.4	111.3	166.7	50.2	0	0	0	0	108.6	T13	S11-T13 PolarHBondContact O-N 3.32Å
12	S	25.8	Very low	28.2	Very low	114 Å²	114	113.5 Å²	113.5	80%	0.797	74%	0.74	S	S	*	*			trans	-73.6	103.8	169.7	52.5	0	0	0	0	109.2	G10	G10-S12 PolarHBondContact O-N 3.48Å
13	T	32.8	Very low	28.1	Very low	92 Å²	92	110.3 Å²	110.3	56%	0.564	73%	0.728	S	S	*	*			trans	-75.5	141.4	158.3	39.7	0	0	0	0	108.8	S11	S11-T13 PolarHBondContact O-N 3.32Å
14	P	29.6	Very low	28.1	Very low	97 Å²	97	108.6 Å²	108.6	63%	0.63	71%	0.71	S	S	*	*			trans	-72.7	135.6	176.7	1.9	13.6	0	0	0	109.9	S16	P14-S16 PolarHBondContact O-N 3.03Å
15	D	28.2	Very low	28	Very low	135 Å²	135	105.9 Å²	105.9	72%	0.722	69%	0.69	S	S	*	*			trans	-43.6	125.8	-178	-75	-50.9	0	0	0	113.9	N17	D15-N17 HydrophobicContact CB-CB 4.34Å; D15-N17 PolarHBondContact O-N 3.3Å
16	S	32.6	Very low	28.1	Very low	69 Å²	69	108.7 Å²	108.7	48%	0.483	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	18.1	168.8	45.9	0	0	0	0	114.2	P14	P14-S16 PolarHBondContact O-N 3.03Å
17	N	27.5	Very low	28	Very low	93 Å²	93	112.1 Å²	112.1	50%	0.497	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	6.6	-171.8	-85.4	-36.8	0	0	0	115.7	D15 F19 R21	D15-N17 HydrophobicContact CB-CB 4.34Å; D15-N17 PolarHBondContact O-N 3.3Å; N17-F19 PolarHBondContact O-N 2.91Å; N17-R21 PolarHBondContact O-N 3.21Å; N17-R21 VanDerWaalsContact O-N 3.14Å
18	E	28.8	Very low	28	Very low	175 Å²	175	112.5 Å²	112.5	82%	0.818	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-14.6	-173.8	-85.3	-164.5	156.5	0	0	116.4
19	F	32.6	Very low	28.1	Very low	201 Å²	201	108.6 Å²	108.6	88%	0.882	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-7.3	171.6	-100.2	-90.8	0	0	0	115.5	N17 R21	N17-F19 PolarHBondContact O-N 2.91Å; F19-R21 VanDerWaalsContact C-N 3.34Å
20	V	30.9	Very low	28.7	Very low	100 Å²	100	108.9 Å²	108.9	61%	0.606	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-3.3	163.7	-172.9	0	0	0	0	111.7	G22	V20-G22 PolarHBondContact O-N 3.36Å
21	R	23.9	Very low	29	Very low	203 Å²	203	111.2 Å²	111.2	77%	0.766	61%	0.612	S	S	*	*			trans	-65.7	70.8	138.7	-74.8	-169.9	-178.4	-175.5	3.1	108.9	N17 F19 T23	N17-R21 PolarHBondContact O-N 3.21Å; N17-R21 VanDerWaalsContact O-N 3.14Å; F19-R21 VanDerWaalsContact C-N 3.34Å; R21-T23 PolarHBondContact O-N 2.91Å
22	G	26.9	Very low	29.5	Very low	57 Å²	57	109.8 Å²	109.8	59%	0.588	60%	0.602	S	S	*	*				-46.2	113.9	129.5	0	0	0	0	0	103.6	V20 S24	V20-G22 PolarHBondContact O-N 3.36Å; G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.47Å
23	T	24.2	Very low	30.1	Very low	119 Å²	119	107.7 Å²	107.7	73%	0.73	58%	0.579	S	S	*	*			trans	-39.7	106	175.5	44.8	0	0	0	0	105.7	R21 P25	R21-T23 PolarHBondContact O-N 2.91Å; T23-P25 WeakPolarHBondContact O-CD 3.36Å
24	S	26.9	Very low	30.5	Very low	63 Å²	63	105.3 Å²	105.3	44%	0.441	56%	0.563	S	S	.	*			trans	-55.8	120.1	165.5	53	0	0	0	0	101.5	G22 E26	G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.47Å; S24-E26 PolarHBondContact O-N 3.41Å; S24-E26 PolarHBondContact OG-OE2 3.29Å
25	P	27	Very low	30.9	Very low	59 Å²	59	104.4 Å²	104.4	38%	0.383	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	29.9	177.4	29.8	-31.4	0	0	0	109.6	T23 F27 T28 D29	T23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-F27 PolarHBondContact O-N 2.98Å; P25-T28 VanDerWaalsContact CA-OG1 3.28Å; P25-T28 WeakPolarHBondContact CA-OG1 3.3Å; P25-T28 WeakPolarHBondContact CB-OG1 3.48Å; P25-T28 PolarHBondContact O-N 3.49Å; P25-D29 WeakPolarHBondContact O-CA 3.48Å; P25-D29 WeakPolarHBondContact O-CB 3.42Å; P25-D29 PolarHBondContact O-N 3.46Å
26	E	28.1	Very low	31.3	Very low	142 Å²	142	101.9 Å²	101.9	66%	0.664	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.5	177.5	-77.1	-179	152.4	0	0	112.4	S24	S24-E26 PolarHBondContact O-N 3.41Å; S24-E26 PolarHBondContact OG-OE2 3.29Å
27	F	26.5	Very low	31.9	Very low	173 Å²	173	99.6 Å²	99.6	76%	0.759	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-21.3	176	-79.4	-78.2	0	0	0	114.5	P25	P25-F27 PolarHBondContact O-N 2.98Å
28	T	27.6	Very low	32.6	Very low	88 Å²	88	98.5 Å²	98.5	54%	0.54	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.1	174.3	44.4	0	0	0	0	112.5	P25 E30 L31 S32	P25-T28 VanDerWaalsContact CA-OG1 3.28Å; P25-T28 WeakPolarHBondContact CA-OG1 3.3Å; P25-T28 WeakPolarHBondContact CB-OG1 3.48Å; P25-T28 PolarHBondContact O-N 3.49Å; T28-E30 VanDerWaalsContact C-N 3.29Å; T28-E30 PolarHBondContact O-N 3.31Å; T28-L31 PolarHBondContact O-N 3.31Å; T28-S32 WeakPolarHBondContact O-CB 3.44Å; T28-S32 PolarHBondContact O-N 3.28Å; T28-S32 VanDerWaalsContact O-N 3.08Å; T28-S32 PolarHBondContact O-OG 2.94Å
29	D	31.1	Very low	33.2	Very low	58 Å²	58	95 Å²	95	31%	0.31	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-31.7	175.7	-84.4	-14.8	0	0	0	112.9	P25 L31 S32 E33	P25-D29 WeakPolarHBondContact O-CA 3.48Å; P25-D29 WeakPolarHBondContact O-CB 3.42Å; P25-D29 PolarHBondContact O-N 3.46Å; D29-L31 PolarHBondContact O-N 3.4Å; D29-S32 VanDerWaalsContact CA-OG 3.24Å; D29-S32 WeakPolarHBondContact CA-OG 3.44Å; D29-S32 PolarHBondContact O-OG 2.9Å; D29-E33 WeakPolarHBondContact O-CB 3.23Å; D29-E33 WeakPolarHBondContact O-CG 3.5Å; D29-E33 PolarHBondContact O-N 2.95Å; D29-E33 VanDerWaalsContact O-N 3.09Å
30	E	37.5	Very low	33.6	Very low	84 Å²	84	89 Å²	89	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-29.7	-177.3	-65.4	-155.6	129.2	0	0	113.5	T28 L34 R203	T28-E30 VanDerWaalsContact C-N 3.29Å; T28-E30 PolarHBondContact O-N 3.31Å; E30-L34 WeakPolarHBondContact O-CD1 3.5Å; E30-R203 IonicContact OE1-NH2 2.6Å; E30-R203 PolarHBondContact OE1-NH2 2.8Å
31	L	31.8	Very low	34.2	Very low	125 Å²	125	85.2 Å²	85.2	65%	0.654	47%	0.47	S	S	*	.	H	α-helix	trans	-101.6	-32.3	178.3	-78.2	166.8	0	0	0	112.6	T28 D29 L34 V35	T28-L31 PolarHBondContact O-N 3.31Å; D29-L31 PolarHBondContact O-N 3.4Å; L31-L34 HydrophobicContact CD2-CD1 4.42Å; L31-L34 PolarHBondContact O-N 3.46Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.16Å
32	S	38.6	Very low	34.7	Very low	59 Å²	59	84.6 Å²	84.6	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-68.6	-33.1	177.6	58.7	0	0	0	0	112.4	T28 D29 L34 V35 P36	T28-S32 WeakPolarHBondContact O-CB 3.44Å; T28-S32 PolarHBondContact O-N 3.28Å; T28-S32 VanDerWaalsContact O-N 3.08Å; T28-S32 PolarHBondContact O-OG 2.94Å; D29-S32 VanDerWaalsContact CA-OG 3.24Å; D29-S32 WeakPolarHBondContact CA-OG 3.44Å; D29-S32 PolarHBondContact O-OG 2.9Å; S32-L34 VanDerWaalsContact C-N 3.25Å; S32-L34 PolarHBondContact O-N 3.44Å; S32-V35 PolarHBondContact O-N 3.04Å; S32-P36 WeakPolarHBondContact O-CD 3.46Å
33	E	38.2	Very low	35.3	Very low	70 Å²	70	83.5 Å²	83.5	33%	0.327	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.2	172	-74.5	-175.1	169.7	0	0	112.4	D29 R226	D29-E33 WeakPolarHBondContact O-CB 3.23Å; D29-E33 WeakPolarHBondContact O-CG 3.5Å; D29-E33 PolarHBondContact O-N 2.95Å; D29-E33 VanDerWaalsContact O-N 3.09Å; E33-R226 IonicContact OE2-NH1 2.76Å
34	L	41.4	Very low	35.4	Very low	41 Å²	41	83.3 Å²	83.3	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-81.7	-28.5	179.8	-76.7	170.8	0	0	0	113.3	E30 L31 S32 V37 L38	E30-L34 WeakPolarHBondContact O-CD1 3.5Å; L31-L34 HydrophobicContact CD2-CD1 4.42Å; L31-L34 PolarHBondContact O-N 3.46Å; S32-L34 VanDerWaalsContact C-N 3.25Å; S32-L34 PolarHBondContact O-N 3.44Å; L34-V37 PolarHBondContact O-N 2.83Å; L34-L38 HydrophobicContact CB-CD1 3.99Å; L34-L38 HydrophobicContact CB-CG 4.46Å; L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.8Å
35	V	38.5	Very low	35.5	Very low	78 Å²	78	85.4 Å²	85.4	47%	0.473	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-47.9	-176.1	171.2	0	0	0	0	111.9	L31 S32 V37 L38 D39	L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.16Å; S32-V35 PolarHBondContact O-N 3.04Å; V35-V37 VanDerWaalsContact C-N 3.3Å; V35-V37 PolarHBondContact O-N 3Å; V35-L38 PolarHBondContact O-N 3.11Å; V35-D39 VanDerWaalsContact CG1-OD2 3.29Å; V35-D39 WeakPolarHBondContact CG1-OD2 3.44Å; V35-D39 WeakPolarHBondContact O-CB 3.43Å; V35-D39 PolarHBondContact O-N 2.88Å
36	P	36.9	Very low	35.5	Very low	82 Å²	82	91.9 Å²	91.9	53%	0.532	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-34.2	176.7	-20.1	30.7	0	0	0	113.4	S32 S40	S32-P36 WeakPolarHBondContact O-CD 3.46Å; P36-S40 WeakPolarHBondContact O-CB 3.46Å; P36-S40 PolarHBondContact O-N 3.04Å; P36-S40 PolarHBondContact O-OG 3.12Å
37	V	43.9	Very low	35.3	Very low	21 Å²	21	93.9 Å²	93.9	13%	0.127	49%	0.49	C	S	.	.	H	α-helix	trans	-77.5	-32.9	-178.7	-180	0	0	0	0	111.8	L34 V35 S40 I41 F201 V222	L34-V37 PolarHBondContact O-N 2.83Å; V35-V37 VanDerWaalsContact C-N 3.3Å; V35-V37 PolarHBondContact O-N 3Å; V37-S40 PolarHBondContact O-OG 3.46Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-F201 HydrophobicContact CG1-CE1 3.64Å; V37-F201 HydrophobicContact CG1-CZ 3.56Å; V37-V222 HydrophobicContact CG1-CG1 4.18Å
38	L	42.6	Very low	35.2	Very low	70 Å²	70	95.6 Å²	95.6	37%	0.366	50%	0.498	S	S	.	.	H	α-helix	trans	-85	-18	174.3	-69.2	172.4	0	0	0	112.7	L34 V35 I41 L43	L34-L38 HydrophobicContact CB-CD1 3.99Å; L34-L38 HydrophobicContact CB-CG 4.46Å; L34-L38 VanDerWaalsContact O-CB 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.8Å; V35-L38 PolarHBondContact O-N 3.11Å; L38-I41 CarbonylContact C-O 3.5Å; L38-L43 HydrophobicContact CD2-CD1 3.48Å; L38-L43 VanDerWaalsContact CD2-CD1 3.48Å
39	D	42.2	Very low	35.1	Very low	102 Å²	102	94.9 Å²	94.9	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-84.8	-30.2	172.6	-77.5	-19.5	0	0	0	111.7	V35 I41	V35-D39 VanDerWaalsContact CG1-OD2 3.29Å; V35-D39 WeakPolarHBondContact CG1-OD2 3.44Å; V35-D39 WeakPolarHBondContact O-CB 3.43Å; V35-D39 PolarHBondContact O-N 2.88Å; D39-I41 CarbonylContact C-O 3.59Å
40	S	41.3	Very low	34.9	Very low	76 Å²	76	97.9 Å²	97.9	53%	0.531	52%	0.522	S	S	.	.	H	α-helix	trans	-72.2	-31.6	176.9	65.4	0	0	0	0	112.9	P36 V37	P36-S40 WeakPolarHBondContact O-CB 3.46Å; P36-S40 PolarHBondContact O-N 3.04Å; P36-S40 PolarHBondContact O-OG 3.12Å; V37-S40 PolarHBondContact O-OG 3.46Å
41	I	42.5	Very low	34.6	Very low	20 Å²	20	100.2 Å²	100.2	10%	0.103	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	126.6	160.5	-44.8	167.2	0	0	0	103.9	V37 L38 D39 L43 V176 F201	V37-I41 WeakPolarHBondContact O-CG1 3.45Å; L38-I41 CarbonylContact C-O 3.5Å; D39-I41 CarbonylContact C-O 3.59Å; I41-L43 HydrophobicContact CB-CD1 3.8Å; I41-L43 HydrophobicContact CB-CG 3.8Å; I41-L43 HydrophobicContact CD1-CD1 3.77Å; I41-L43 HydrophobicContact CG1-CD1 4.38Å; I41-L43 HydrophobicContact CG2-CD1 3.85Å; I41-L43 HydrophobicContact CG2-CD2 4.18Å; I41-L43 HydrophobicContact CG2-CG 3.53Å; I41-L43 PolarHBondContact O-N 3.48Å; I41-V176 HydrophobicContact CD1-CG1 4.41Å; I41-V176 HydrophobicContact CD1-CG2 4.44Å; I41-F201 HydrophobicContact CD1-CE2 4.37Å; I41-F201 HydrophobicContact CD1-CZ 4.42Å
42	H	35.9	Very low	34.4	Very low	189 Å²	189	100.8 Å²	100.8	88%	0.875	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	54.2	172.1	-74.7	-63	0	0	0	111.8	V44	H42-V44 PolarHBondContact O-N 3.06Å; H42-V44 VanDerWaalsContact O-N 3.12Å
43	L	37.9	Very low	33.7	Very low	35 Å²	35	101.1 Å²	101.1	18%	0.183	56%	0.557	C	S	.	*			trans	-77.2	95.2	172.2	-71.3	166.9	0	0	0	105.5	L38 I41 P45	L38-L43 HydrophobicContact CD2-CD1 3.48Å; L38-L43 VanDerWaalsContact CD2-CD1 3.48Å; I41-L43 HydrophobicContact CB-CD1 3.8Å; I41-L43 HydrophobicContact CB-CG 3.8Å; I41-L43 HydrophobicContact CD1-CD1 3.77Å; I41-L43 HydrophobicContact CG1-CD1 4.38Å; I41-L43 HydrophobicContact CG2-CD1 3.85Å; I41-L43 HydrophobicContact CG2-CD2 4.18Å; I41-L43 HydrophobicContact CG2-CG 3.53Å; I41-L43 PolarHBondContact O-N 3.48Å; L43-P45 WeakPolarHBondContact O-CD 3.43Å
44	V	26.5	Very low	33.2	Very low	115 Å²	115	103.5 Å²	103.5	70%	0.697	58%	0.581	S	S	*	*			trans	-47.7	109.4	168.1	-179.9	0	0	0	0	107.1	H42 Y46	H42-V44 PolarHBondContact O-N 3.06Å; H42-V44 VanDerWaalsContact O-N 3.12Å; V44-Y46 PolarHBondContact O-N 3.24Å
45	P	28.8	Very low	32.5	Very low	107 Å²	107	106.9 Å²	106.9	70%	0.695	61%	0.609	S	S	*	*			trans	-59.3	122.6	168.5	22.8	-28.4	0	0	0	104.8	L43 K47	L43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-K47 PolarHBondContact O-N 2.86Å
46	Y	27.8	Very low	31.9	Very low	195 Å²	195	108.1 Å²	108.1	77%	0.765	62%	0.621	S	S	*	*			trans	-44	117.3	-179	-163.2	-90.9	0	0	0	107.4	V44 K48	V44-Y46 PolarHBondContact O-N 3.24Å; Y46-K48 PolarHBondContact O-N 3.36Å
47	K	23.6	Very low	31.6	Very low	183 Å²	183	109.8 Å²	109.8	80%	0.796	63%	0.632	S	S	*	*			trans	-43.1	118.3	175.6	-84.2	-179.4	174.8	177.2	0	105.8	P45 S49	P45-K47 PolarHBondContact O-N 2.86Å; K47-S49 PolarHBondContact O-N 3.38Å
48	K	24.3	Very low	30.7	Very low	210 Å²	210	118.6 Å²	118.6	91%	0.913	67%	0.669	S	S	*	*			trans	-49.8	98	171	-83.1	179.5	177.4	174.4	0	105.7	Y46 S50	Y46-K48 PolarHBondContact O-N 3.36Å; K48-S50 PolarHBondContact O-N 2.93Å
49	S	26.1	Very low	30.3	Very low	72 Å²	72	122.4 Å²	122.4	50%	0.503	69%	0.69	S	S	.	*			trans	-54.8	132.3	162.9	173	0	0	0	0	104.3	K47 L51	K47-S49 PolarHBondContact O-N 3.38Å; S49-L51 PolarHBondContact O-N 3.22Å
50	S	27.5	Very low	30	Very low	121 Å²	121	122 Å²	122	85%	0.846	69%	0.692	S	S	*	*	S	Bend	trans	-65.1	34.7	-173.6	43.9	0	0	0	0	113.9	K48	K48-S50 PolarHBondContact O-N 2.93Å
51	L	29.7	Very low	29.5	Very low	133 Å²	133	128.2 Å²	128.2	70%	0.696	71%	0.71	S	S	*	*			trans	-142.3	47.6	-170.2	-70.9	170.3	0	0	0	111.7	S49	S49-L51 PolarHBondContact O-N 3.22Å
52	V	27.4	Very low	29	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	75%	0.747	S	S	*	*			trans	-144.3	93.5	154.7	-149.9	0	0	0	0	108.8
53	G	25.2	Very low	28.8	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	74%	0.744	S	S	*	*			trans	-61.7	133	165.7	0	0	0	0	0	109.3	S55	G53-S55 PolarHBondContact O-N 3.15Å
54	S	26.4	Very low	28.6	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	77%	0.773	S	S	*	*			trans	-54.5	104.4	169.8	47.9	0	0	0	0	110
55	S	26.4	Very low	28.8	Very low	113 Å²	113	142 Å²	142	79%	0.79	78%	0.777	S	S	*	*			trans	-94.7	92.6	162	57.7	0	0	0	0	107.7	G53	G53-S55 PolarHBondContact O-N 3.15Å
56	S	27.9	Very low	29.3	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	77%	0.772	S	S	*	*			trans	-57.6	137.1	158	43.3	0	0	0	0	109	F58	S56-F58 PolarHBondContact O-N 3.33Å
57	P	29.1	Very low	29.9	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	77%	0.768	S	S	*	*			trans	-94.9	89	-179	33.5	-27.6	0	0	0	109.6
58	F	25.8	Very low	30.3	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.904	76%	0.76	S	S	*	*			trans	-162	136.6	150.9	-97.8	-74.6	0	0	0	109.5	S56	S56-F58 PolarHBondContact O-N 3.33Å
59	D	33.3	Very low	31	Very low	151 Å²	151	135 Å²	135	81%	0.807	75%	0.753	S	S	*	*			trans	98.2	149.5	157.8	-113.6	10	0	0	0	122.1
60	P	36.1	Very low	31.4	Very low	92 Å²	92	138.3 Å²	138.3	60%	0.597	77%	0.773	S	S	*	*				-121.5	162.8	-100.3	35.4	-19.1	0	0	0	114.3	K62	P60-K62 PolarHBondContact O-N 3.08Å
61	K	31.4	Very low	32.5	Very low	208 Å²	208	136.3 Å²	136.3	90%	0.904	77%	0.771	S	S	*	*			trans	36	68.7	161.4	-63.9	-178.6	-178.4	173.6	0	117.1	V63	K61-V63 PolarHBondContact O-N 2.71Å
62	K	32.1	Very low	33.2	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.896	77%	0.767	S	S	*	*			trans	-86.6	103.6	165.5	-75.4	-175.3	179.8	175.9	0	111.7	P60 K64	P60-K62 PolarHBondContact O-N 3.08Å; K62-K64 PolarHBondContact O-N 3.41Å
63	V	32.5	Very low	34.3	Very low	132 Å²	132	138.1 Å²	138.1	80%	0.8	77%	0.771	S	S	*	*			trans	-53.2	127.3	169.3	175.9	0	0	0	0	110	K61 V65	K61-V63 PolarHBondContact O-N 2.71Å; V63-V65 PolarHBondContact O-N 2.81Å
64	K	32.7	Very low	35.1	Very low	183 Å²	183	143.6 Å²	143.6	80%	0.796	78%	0.776	S	S	*	*			trans	-76.1	111.6	-179.6	-84.2	179.3	174.8	176.1	0	110.7	K62	K62-K64 PolarHBondContact O-N 3.41Å
65	V	31.2	Very low	35.6	Very low	128 Å²	128	140.9 Å²	140.9	78%	0.776	76%	0.76	S	S	*	*			trans	-93.7	130.7	170.6	-176	0	0	0	0	109.3	V63	V63-V65 PolarHBondContact O-N 2.81Å
66	T	39	Very low	36.4	Very low	98 Å²	98	143.6 Å²	143.6	60%	0.601	75%	0.754	S	S	*	*			trans	-112	140.1	175.7	28.3	0	0	0	0	109.2
67	V	39.1	Very low	36.6	Very low	111 Å²	111	144.5 Å²	144.5	67%	0.673	75%	0.747	S	S	*	*			trans	-123.2	130.3	178.7	-177.8	0	0	0	0	109.1
68	Q	33.5	Very low	36.5	Very low	135 Å²	135	145.1 Å²	145.1	63%	0.631	75%	0.753	S	S	*	*			trans	-106.3	125.3	179.9	-139.6	172	2	0	0	108.5
69	R	38.1	Very low	36.9	Very low	204 Å²	204	137.4 Å²	137.4	77%	0.77	73%	0.731	S	S	*	*			trans	-89.3	150.9	175.4	-71.9	-175.6	-177.9	178.9	0.6	110.7	G71	R69-G71 PolarHBondContact O-N 2.86Å
70	P	35.6	Very low	36.8	Very low	140 Å²	140	136.2 Å²	136.2	91%	0.909	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	117.4	-177.2	-14.5	28.5	0	0	0	110.6
71	G	50.7	Low	36.5	Very low	79 Å²	79	138.5 Å²	138.5	81%	0.814	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.9	-19	175.4	0	0	0	0	0	115.8	R69	R69-G71 PolarHBondContact O-N 2.86Å
72	D	43.1	Very low	36.6	Very low	112 Å²	112	134.9 Å²	134.9	60%	0.599	72%	0.724	S	S	*	*			trans	-99.8	126.5	-175.5	-74.5	-32.3	0	0	0	113.2	K74	D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 2.94Å
73	Q	51.5	Low	36.6	Very low	197 Å²	197	135.3 Å²	135.3	92%	0.921	72%	0.72	S	S	*	*	S	Bend	trans	-77	0.5	179.1	-71.1	-174.8	-2.6	0	0	114.7
74	K	40.6	Very low	37	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	72%	0.719	S	S	*	*	S	Bend	trans	-141.5	134.7	175	-70.1	-173.2	-180	176.5	0	112	D72	D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 2.94Å
75	A	37.6	Very low	37.6	Very low	61 Å²	61	134.3 Å²	134.3	50%	0.504	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-67.3	132.2	178	0	0	0	0	0	111.7
76	Y	42.4	Very low	38.6	Very low	171 Å²	171	135.2 Å²	135.2	67%	0.671	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-99.5	135.9	-179.9	-174.5	-98.1	0	0	0	111.4
77	Q	33.6	Very low	39.7	Very low	122 Å²	122	133.3 Å²	133.3	57%	0.57	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-90.1	116.8	176	-79.1	178.9	-7.4	0	0	110.6	G79	Q77-G79 PolarHBondContact O-N 3.21Å
78	C	26.8	Very low	41.4	Very low	130 Å²	130	131.3 Å²	131.3	88%	0.878	68%	0.68	S	S	*	*			trans	-83	101.6	171	-73.6	0	0	0	0	110.5
79	G	33.4	Very low	43.5	Very low	43 Å²	43	126.9 Å²	126.9	44%	0.443	66%	0.66	S	S	.	*	S	Bend	trans	-162.3	146.3	162.2	0	0	0	0	0	108.5	Q77 H81	Q77-G79 PolarHBondContact O-N 3.21Å; G79-H81 PolarHBondContact O-N 3.31Å
80	P	31.7	Very low	45.6	Very low	127 Å²	127	120.4 Å²	120.4	83%	0.825	65%	0.646	S	S	*	*			trans	-62.1	106.4	175.1	25.6	-30.3	0	0	0	107.6	L82	P80-L82 PolarHBondContact O-N 3.45Å
81	H	29.1	Very low	48	Very low	139 Å²	139	116 Å²	116	64%	0.644	62%	0.615	S	S	*	*			trans	-63.2	89.6	163.9	-81.6	-69.3	0	0	0	106.9	G79 R83	G79-H81 PolarHBondContact O-N 3.31Å; H81-R83 PolarHBondContact O-N 3.01Å
82	L	34.6	Very low	49.9	Very low	132 Å²	132	112.2 Å²	112.2	69%	0.691	58%	0.576	S	S	*	*			trans	-61.2	89.8	149.5	-108.9	87	0	0	0	104.8	P80 K84	P80-L82 PolarHBondContact O-N 3.45Å; L82-K84 PolarHBondContact O-N 3.27Å
83	R	31.8	Very low	52.3	Low	216 Å²	216	110.4 Å²	110.4	82%	0.815	57%	0.565	S	S	*	*			trans	-61.3	88.2	158.2	-76	-175.2	175.1	-179.4	-0.8	104.9	H81 T85	H81-R83 PolarHBondContact O-N 3.01Å; R83-T85 HydrophobicContact CB-CG2 4.44Å; R83-T85 PolarHBondContact O-N 3.34Å
84	K	40.3	Very low	54.2	Low	180 Å²	180	106.7 Å²	106.7	78%	0.783	55%	0.546	S	S	*	.			trans	-62.3	84.4	156.9	-69	-175.6	-178.9	-178.9	0	104.2	L82 K86	L82-K84 PolarHBondContact O-N 3.27Å; K84-K86 PolarHBondContact O-N 3.13Å
85	T	46	Very low	56.7	Low	114 Å²	114	99.9 Å²	99.9	70%	0.699	52%	0.517	S	S	*	.			trans	-60.5	93.4	168.4	41.6	0	0	0	0	105	R83 K87	R83-T85 HydrophobicContact CB-CG2 4.44Å; R83-T85 PolarHBondContact O-N 3.34Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 3.34Å
86	K	52.1	Low	59.5	Low	147 Å²	147	97 Å²	97	64%	0.639	49%	0.493	S	S	*	.			trans	-57.8	107	167.2	-70	-179	178.8	-179.3	0	103.9	K84 T88 Q113	K84-K86 PolarHBondContact O-N 3.13Å; K86-T88 PolarHBondContact O-N 3.31Å; K86-Q113 HydrophobicContact CD-CG 4.45Å
87	K	61.2	Low	62	Low	57 Å²	57	91 Å²	91	25%	0.248	47%	0.473	C	S	.	.			trans	-53.8	141.6	165.6	-66.1	-179.8	177.1	-174.4	0	105.6	T85 D91 E95 D108 G112	T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 3.34Å; K87-D91 WeakPolarHBondContact CA-OD2 3.35Å; K87-D91 HydrophobicContact CB-CB 3.99Å; K87-D91 HydrophobicContact CG-CB 4.33Å; K87-E95 IonicContact NZ-OE2 3.88Å; K87-D108 PolarHBondContact NZ-O 3.15Å; K87-G112 CarbonylContact C-O 3.09Å; K87-G112 CarbonylContact O-C 3.04Å; K87-G112 VanDerWaalsContact O-CA 3.27Å; K87-G112 WeakPolarHBondContact O-CA 3.24Å
88	T	76	Confident	64.9	Low	70 Å²	70	90.1 Å²	90.1	43%	0.429	47%	0.465	S	S	.	.			trans	-115.3	175.3	174.1	56.9	0	0	0	0	108.5	K86 S90 D91 A92 L114	K86-T88 PolarHBondContact O-N 3.31Å; T88-S90 PolarHBondContact O-N 3.35Å; T88-S90 VanDerWaalsContact O-N 3.12Å; T88-D91 PolarHBondContact N-OD2 3.21Å; T88-D91 WeakPolarHBondContact O-CA 3.45Å; T88-D91 PolarHBondContact O-N 2.78Å; T88-D91 PolarHBondContact OG1-OD2 2.64Å; T88-A92 PolarHBondContact O-N 3.35Å; T88-L114 WeakPolarHBondContact O-CD2 3.4Å
89	D	78.1	Confident	68.2	Low	42 Å²	42	84 Å²	84	23%	0.225	42%	0.423	C	S	.	.	H	α-helix	trans	-55.3	-31.9	174.7	-56.7	-34.3	0	0	0	111.7	A92 I93 L114 H115 F116	D89-A92 PolarHBondContact O-N 2.9Å; D89-I93 PolarHBondContact O-N 2.76Å; D89-L114 WeakPolarHBondContact OD1-CA 3.32Å; D89-L114 WeakPolarHBondContact OD1-CD2 3.32Å; D89-H115 PolarHBondContact OD1-N 2.8Å; D89-H115 IonicContact OD2-ND1 3.1Å; D89-F116 HydrophobicContact CB-CE1 4.14Å; D89-F116 HydrophobicContact CB-CZ 4.14Å
90	S	81.9	Confident	71.1	Confident	67 Å²	67	86.5 Å²	86.5	47%	0.469	42%	0.419	S	S	.	.	H	α-helix	trans	-68.9	-35	173.4	-176.4	0	0	0	0	113.2	T88 I93 K94	T88-S90 PolarHBondContact O-N 3.35Å; T88-S90 VanDerWaalsContact O-N 3.12Å; S90-I93 PolarHBondContact O-N 2.94Å; S90-K94 PolarHBondContact O-N 3.13Å
91	D	86.5	Confident	74.2	Confident	48 Å²	48	87.5 Å²	87.5	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-74.4	-29.8	178	-58.2	-49.8	0	0	0	111.6	K87 T88 K94 E95	K87-D91 WeakPolarHBondContact CA-OD2 3.35Å; K87-D91 HydrophobicContact CB-CB 3.99Å; K87-D91 HydrophobicContact CG-CB 4.33Å; T88-D91 PolarHBondContact N-OD2 3.21Å; T88-D91 WeakPolarHBondContact O-CA 3.45Å; T88-D91 PolarHBondContact O-N 2.78Å; T88-D91 PolarHBondContact OG1-OD2 2.64Å; D91-K94 PolarHBondContact O-N 3.13Å; D91-K94 IonicContact OD1-NZ 3.73Å; D91-E95 WeakPolarHBondContact O-CB 3.4Å; D91-E95 PolarHBondContact O-N 3.15Å
92	A	90.4	Very high	77.3	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-61.2	-42.9	171.8	0	0	0	0	0	111.9	T88 D89 K94 E95 I96 L109 L114 P118	T88-A92 PolarHBondContact O-N 3.35Å; D89-A92 PolarHBondContact O-N 2.9Å; A92-K94 VanDerWaalsContact C-N 3.34Å; A92-K94 PolarHBondContact O-N 3.05Å; A92-E95 PolarHBondContact O-N 3.09Å; A92-I96 WeakPolarHBondContact O-CB 3.33Å; A92-I96 WeakPolarHBondContact O-CD1 3.36Å; A92-I96 VanDerWaalsContact O-CG1 3.23Å; A92-I96 WeakPolarHBondContact O-CG1 3.28Å; A92-I96 PolarHBondContact O-N 2.79Å; A92-L109 HydrophobicContact CB-CD1 4.3Å; A92-L109 HydrophobicContact CB-CD2 4.02Å; A92-L114 HydrophobicContact CB-CD1 4.07Å; A92-L114 HydrophobicContact CB-CD2 3.72Å; A92-P118 HydrophobicContact CB-CG 4.12Å
93	I	92.2	Very high	80.2	Confident	73 Å²	73	84.6 Å²	84.6	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-43.1	176.3	-62.5	171.2	0	0	0	110.9	D89 S90 E95 I96 N97 P118	D89-I93 PolarHBondContact O-N 2.76Å; S90-I93 PolarHBondContact O-N 2.94Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 2.66Å; I93-I96 PolarHBondContact O-N 2.95Å; I93-N97 PolarHBondContact O-N 2.97Å; I93-N97 PolarHBondContact O-ND2 3.26Å; I93-P118 HydrophobicContact CG1-CB 3.98Å; I93-P118 HydrophobicContact CG1-CG 3.77Å
94	K	92.8	Very high	83.2	Confident	119 Å²	119	76.5 Å²	76.5	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.8	-68.4	174.5	-170.9	163.3	0	112	S90 D91 A92 N97 R98	S90-K94 PolarHBondContact O-N 3.13Å; D91-K94 PolarHBondContact O-N 3.13Å; D91-K94 IonicContact OD1-NZ 3.73Å; A92-K94 VanDerWaalsContact C-N 3.34Å; A92-K94 PolarHBondContact O-N 3.05Å; K94-N97 PolarHBondContact O-N 3.18Å; K94-R98 WeakPolarHBondContact O-CB 3.13Å; K94-R98 PolarHBondContact O-N 3.39Å
95	E	92.9	Very high	85.9	Confident	39 Å²	39	71.2 Å²	71.2	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-69	-38	179	-162.4	65.3	-126.7	0	0	112.2	K87 D91 A92 I93 R98 C99 L107 L109	K87-E95 IonicContact NZ-OE2 3.88Å; D91-E95 WeakPolarHBondContact O-CB 3.4Å; D91-E95 PolarHBondContact O-N 3.15Å; A92-E95 PolarHBondContact O-N 3.09Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 2.66Å; E95-R98 PolarHBondContact O-N 3.03Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 3.41Å; E95-R98 PolarHBondContact OE1-NE 2.78Å; E95-R98 IonicContact OE1-NH2 2.71Å; E95-R98 IonicContact OE2-CZ 3.9Å; E95-R98 IonicContact OE2-NE 3.68Å; E95-R98 PolarHBondContact OE2-NE 2.89Å; E95-R98 IonicContact OE2-NH2 3.65Å; E95-R98 PolarHBondContact OE2-NH2 3.46Å; E95-C99 VanDerWaalsContact O-CB 3.28Å; E95-C99 WeakPolarHBondContact O-CB 3.36Å; E95-C99 PolarHBondContact O-N 2.81Å; E95-L107 HydrophobicContact CB-CD1 4.27Å; E95-L107 HydrophobicContact CG-CD1 3.59Å; E95-L109 HydrophobicContact CB-CD2 3.7Å; E95-L109 HydrophobicContact CG-CD2 3.88Å
96	I	95.2	Very high	88.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-46.1	173.1	-69.6	163.3	0	0	0	110.3	A92 I93 R98 C99 R100 L107 L109 P118 S120 I121 V124	A92-I96 WeakPolarHBondContact O-CB 3.33Å; A92-I96 WeakPolarHBondContact O-CD1 3.36Å; A92-I96 VanDerWaalsContact O-CG1 3.23Å; A92-I96 WeakPolarHBondContact O-CG1 3.28Å; A92-I96 PolarHBondContact O-N 2.79Å; I93-I96 PolarHBondContact O-N 2.95Å; I96-R98 VanDerWaalsContact C-N 3.35Å; I96-R98 PolarHBondContact O-N 3.16Å; I96-C99 PolarHBondContact O-N 3.35Å; I96-R100 PolarHBondContact O-N 2.8Å; I96-L107 HydrophobicContact CG1-CD2 3.82Å; I96-L109 HydrophobicContact CD1-CD1 4.47Å; I96-L109 HydrophobicContact CG1-CD1 4.4Å; I96-P118 HydrophobicContact CD1-CB 4.14Å; I96-P118 HydrophobicContact CD1-CG 4.13Å; I96-S120 WeakPolarHBondContact CG2-O 3.5Å; I96-I121 HydrophobicContact CD1-CB 4.48Å; I96-I121 HydrophobicContact CD1-CD1 4.26Å; I96-I121 HydrophobicContact CG1-CD1 4.17Å; I96-V124 HydrophobicContact CG2-CG1 4.31Å
97	N	95	Very high	90.4	Very high	47 Å²	47	63.8 Å²	63.8	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-41.7	176.7	-74.1	-30.7	0	0	0	112	I93 K94 R100 E101	I93-N97 PolarHBondContact O-N 2.97Å; I93-N97 PolarHBondContact O-ND2 3.26Å; K94-N97 PolarHBondContact O-N 3.18Å; N97-R100 WeakPolarHBondContact O-CB 3.17Å; N97-R100 PolarHBondContact O-N 3.34Å; N97-R100 PolarHBondContact OD1-NH2 3.01Å; N97-E101 WeakPolarHBondContact O-CG 3.15Å; N97-E101 PolarHBondContact O-N 2.75Å
98	R	95.1	Very high	92	Very high	102 Å²	102	63.1 Å²	63.1	39%	0.385	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-47.7	175.2	-164.5	-156.9	-32.2	-87.1	-3.6	111.2	K94 E95 I96 R100 E101 E102	K94-R98 WeakPolarHBondContact O-CB 3.13Å; K94-R98 PolarHBondContact O-N 3.39Å; E95-R98 PolarHBondContact O-N 3.03Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 3.41Å; E95-R98 PolarHBondContact OE1-NE 2.78Å; E95-R98 IonicContact OE1-NH2 2.71Å; E95-R98 IonicContact OE2-CZ 3.9Å; E95-R98 IonicContact OE2-NE 3.68Å; E95-R98 PolarHBondContact OE2-NE 2.89Å; E95-R98 IonicContact OE2-NH2 3.65Å; E95-R98 PolarHBondContact OE2-NH2 3.46Å; I96-R98 VanDerWaalsContact C-N 3.35Å; I96-R98 PolarHBondContact O-N 3.16Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 2.84Å; R98-E101 PolarHBondContact O-N 2.83Å; R98-E102 WeakPolarHBondContact CD-OE1 3.09Å; R98-E102 HydrophobicContact CG-CG 4.34Å; R98-E102 VanDerWaalsContact CG-OE1 3.32Å; R98-E102 WeakPolarHBondContact CG-OE1 3.39Å; R98-E102 WeakPolarHBondContact O-CB 3.5Å; R98-E102 WeakPolarHBondContact O-CG 3.34Å; R98-E102 PolarHBondContact O-N 3.28Å
99	C	95.7	Very high	92.9	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-39.5	177	176.6	0	0	0	0	111.9	E95 I96 N103 T104 L107 V124 H127	E95-C99 VanDerWaalsContact O-CB 3.28Å; E95-C99 WeakPolarHBondContact O-CB 3.36Å; E95-C99 PolarHBondContact O-N 2.81Å; I96-C99 PolarHBondContact O-N 3.35Å; C99-N103 WeakPolarHBondContact O-CA 3.27Å; C99-N103 PolarHBondContact O-N 3.12Å; C99-T104 PolarHBondContact O-N 3.33Å; C99-T104 VanDerWaalsContact O-N 3.15Å; C99-T104 PolarHBondContact SG-O 3.46Å; C99-T104 PolarHBondContact SG-OG1 2.87Å; C99-L107 HydrophobicContact CB-CD1 4.06Å; C99-V124 HydrophobicContact CB-CG1 4.25Å; C99-H127 PolarHBondContact O-CE1 3.28Å
100	R	95.3	Very high	93.6	Very high	97 Å²	97	58.7 Å²	58.7	37%	0.366	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-47.4	174	-174.3	-176	72.2	-162	-3.9	112.6	I96 N97 R98 N103 D123 V124	I96-R100 PolarHBondContact O-N 2.8Å; N97-R100 WeakPolarHBondContact O-CB 3.17Å; N97-R100 PolarHBondContact O-N 3.34Å; N97-R100 PolarHBondContact OD1-NH2 3.01Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 2.84Å; R100-N103 PolarHBondContact O-N 3Å; R100-D123 IonicContact NH1-OD2 3.03Å; R100-D123 PolarHBondContact NH1-OD2 2.64Å; R100-V124 HydrophobicContact CB-CG1 3.77Å
101	E	95.6	Very high	93.6	Very high	147 Å²	147	62 Å²	62	69%	0.687	29%	0.291	S	S	*	.	H	α-helix	trans	-66.5	-40.1	-179.2	-74	170.3	-168.1	0	0	112.2	N97 R98 N103	N97-E101 WeakPolarHBondContact O-CG 3.15Å; N97-E101 PolarHBondContact O-N 2.75Å; R98-E101 PolarHBondContact O-N 2.83Å; E101-N103 VanDerWaalsContact C-N 3.32Å
102	E	95.5	Very high	93.2	Very high	123 Å²	123	59.7 Å²	59.7	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-84.2	-7.8	178.8	-65.2	176.8	-176.7	0	0	112.9	R98 T104	R98-E102 WeakPolarHBondContact CD-OE1 3.09Å; R98-E102 HydrophobicContact CG-CG 4.34Å; R98-E102 VanDerWaalsContact CG-OE1 3.32Å; R98-E102 WeakPolarHBondContact CG-OE1 3.39Å; R98-E102 WeakPolarHBondContact O-CB 3.5Å; R98-E102 WeakPolarHBondContact O-CG 3.34Å; R98-E102 PolarHBondContact O-N 3.28Å; E102-T104 HydrophobicContact CB-CG2 3.76Å; E102-T104 PolarHBondContact O-N 2.93Å
103	N	93.7	Very high	93.1	Very high	88 Å²	88	63.5 Å²	63.5	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	38.5	-176.5	-164.1	60.2	0	0	0	112.8	C99 R100 E101 H126 H127	C99-N103 WeakPolarHBondContact O-CA 3.27Å; C99-N103 PolarHBondContact O-N 3.12Å; R100-N103 PolarHBondContact O-N 3Å; E101-N103 VanDerWaalsContact C-N 3.32Å; N103-H126 PolarHBondContact OD1-NE2 2.92Å; N103-H126 VanDerWaalsContact OD1-NE2 3.08Å; N103-H127 VanDerWaalsContact OD1-CG 3.29Å
104	T	96.2	Very high	93.1	Very high	46 Å²	46	60.1 Å²	60.1	28%	0.282	28%	0.279	S	S	.	.			trans	-75.8	139.7	-178.1	56.5	0	0	0	0	111.2	C99 E102 R106 H127	C99-T104 PolarHBondContact O-N 3.33Å; C99-T104 VanDerWaalsContact O-N 3.15Å; C99-T104 PolarHBondContact SG-O 3.46Å; C99-T104 PolarHBondContact SG-OG1 2.87Å; E102-T104 HydrophobicContact CB-CG2 3.76Å; E102-T104 PolarHBondContact O-N 2.93Å; T104-R106 PolarHBondContact O-N 3.05Å; T104-R106 PolarHBondContact OG1-O 2.89Å; T104-H127 PolarHBondContact O-CE1 3.32Å; T104-H127 PolarHBondContact O-ND1 3.1Å
105	T	96.9	Very high	93.1	Very high	69 Å²	69	59.1 Å²	59.1	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	-81.2	-2.7	-179.5	58.4	0	0	0	0	113.4	K129 E130	T105-K129 HydrophobicContact CG2-CD 4.35Å; T105-K129 HydrophobicContact CG2-CG 4.5Å; T105-K129 WeakPolarHBondContact O-CA 3.24Å; T105-K129 PolarHBondContact O-N 3.11Å; T105-E130 PolarHBondContact O-N 2.82Å
106	R	96.8	Very high	93.1	Very high	103 Å²	103	62.1 Å²	62.1	39%	0.389	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.8	-176.2	173.5	173.8	174.7	158	-0.8	110.6	T104 E130 Y132	T104-R106 PolarHBondContact O-N 3.05Å; T104-R106 PolarHBondContact OG1-O 2.89Å; R106-E130 WeakPolarHBondContact CA-O 3.49Å; R106-E130 HydrophobicContact CB-CB 4.15Å; R106-E130 WeakPolarHBondContact CD-OE2 3.48Å; R106-E130 HydrophobicContact CG-CB 4.12Å; R106-E130 IonicContact NH1-OE2 3.93Å; R106-Y132 HydrophobicContact CG-CD2 4.2Å; R106-Y132 HydrophobicContact CG-CE2 3.87Å; R106-Y132 VanDerWaalsContact NE-CE2 3.32Å
107	L	96.4	Very high	93.1	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.8	176.5	177.1	57.8	0	0	0	110.1	E95 I96 C99 L109 I121 L128 E130 L131 Y132	E95-L107 HydrophobicContact CB-CD1 4.27Å; E95-L107 HydrophobicContact CG-CD1 3.59Å; I96-L107 HydrophobicContact CG1-CD2 3.82Å; C99-L107 HydrophobicContact CB-CD1 4.06Å; L107-L109 HydrophobicContact CD1-CD2 4.16Å; L107-L109 HydrophobicContact CD1-CG 4.06Å; L107-L109 HydrophobicContact CD2-CD1 4.05Å; L107-L109 HydrophobicContact CD2-CG 4.37Å; L107-L109 HydrophobicContact CG-CD1 4.22Å; L107-L109 HydrophobicContact CG-CG 3.98Å; L107-I121 HydrophobicContact CD2-CD1 3.51Å; L107-L128 HydrophobicContact CB-CD1 3.52Å; L107-L128 HydrophobicContact CB-CD2 4.22Å; L107-L128 HydrophobicContact CD2-CD2 4.39Å; L107-E130 PolarHBondContact N-O 3.1Å; L107-L131 HydrophobicContact CB-CD1 4.06Å; L107-L131 HydrophobicContact CD2-CD1 3.91Å; L107-L131 HydrophobicContact CG-CD1 3.97Å; L107-Y132 PolarHBondContact O-N 2.84Å
108	D	94.3	Very high	93.1	Very high	44 Å²	44	60.1 Å²	60.1	24%	0.235	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.2	179.3	-168.6	-34.7	0	0	0	111	K87 T110	K87-D108 PolarHBondContact NZ-O 3.15Å; D108-T110 VanDerWaalsContact OD1-CB 3.24Å; D108-T110 WeakPolarHBondContact OD1-CB 3.26Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.26Å; D108-T110 PolarHBondContact OD1-N 3.23Å; D108-T110 PolarHBondContact OD1-OG1 2.99Å
109	L	94.6	Very high	93.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.			trans	-113.2	26.4	179.1	-68.2	-178.8	0	0	0	111.7	A92 E95 I96 L107 L114 L117 Y132 L133 N136	A92-L109 HydrophobicContact CB-CD1 4.3Å; A92-L109 HydrophobicContact CB-CD2 4.02Å; E95-L109 HydrophobicContact CB-CD2 3.7Å; E95-L109 HydrophobicContact CG-CD2 3.88Å; I96-L109 HydrophobicContact CD1-CD1 4.47Å; I96-L109 HydrophobicContact CG1-CD1 4.4Å; L107-L109 HydrophobicContact CD1-CD2 4.16Å; L107-L109 HydrophobicContact CD1-CG 4.06Å; L107-L109 HydrophobicContact CD2-CD1 4.05Å; L107-L109 HydrophobicContact CD2-CG 4.37Å; L107-L109 HydrophobicContact CG-CD1 4.22Å; L107-L109 HydrophobicContact CG-CG 3.98Å; L109-L114 HydrophobicContact CB-CD1 3.89Å; L109-L117 HydrophobicContact CD1-CD1 3.78Å; L109-Y132 CarbonylContact C-O 3.29Å; L109-Y132 WeakPolarHBondContact CA-O 3.48Å; L109-Y132 PolarHBondContact N-O 3Å; L109-L133 HydrophobicContact CB-CD2 3.75Å; L109-L133 HydrophobicContact CD1-CD2 3.94Å; L109-L133 HydrophobicContact CG-CD2 4.44Å; L109-N136 PolarHBondContact O-ND2 3.12Å
110	T	92.3	Very high	93	Very high	18 Å²	18	59.6 Å²	59.6	11%	0.11	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	156.7	-174.1	63.4	0	0	0	0	112.4	D108 G112 Y134	D108-T110 VanDerWaalsContact OD1-CB 3.24Å; D108-T110 WeakPolarHBondContact OD1-CB 3.26Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.26Å; D108-T110 PolarHBondContact OD1-N 3.23Å; D108-T110 PolarHBondContact OD1-OG1 2.99Å; T110-G112 PolarHBondContact O-N 3.48Å; T110-Y134 VanDerWaalsContact CA-O 3.31Å; T110-Y134 WeakPolarHBondContact CA-O 3.49Å; T110-Y134 WeakPolarHBondContact CB-O 3.24Å; T110-Y134 HydrophobicContact CG2-CD1 3.36Å; T110-Y134 HydrophobicContact CG2-CD2 4.01Å; T110-Y134 HydrophobicContact CG2-CE1 3.14Å; T110-Y134 HydrophobicContact CG2-CE2 3.82Å; T110-Y134 HydrophobicContact CG2-CG 3.77Å
111	K	82.9	Confident	93.1	Very high	137 Å²	137	55 Å²	55	60%	0.596	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	27.1	172.2	-58.4	174.5	-177.3	174.1	0	114	Y134 C135	K111-Y134 PolarHBondContact N-O 3.38Å; K111-Y134 VanDerWaalsContact N-O 3.1Å; K111-C135 WeakPolarHBondContact CA-O 3.3Å; K111-C135 HydrophobicContact CG-CB 3.74Å
112	G	78.5	Confident	93.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-101.7	15	-173	0	0	0	0	0	115.4	K87 T110 L114 N136	K87-G112 CarbonylContact C-O 3.09Å; K87-G112 CarbonylContact O-C 3.04Å; K87-G112 VanDerWaalsContact O-CA 3.27Å; K87-G112 WeakPolarHBondContact O-CA 3.24Å; T110-G112 PolarHBondContact O-N 3.48Å; G112-L114 PolarHBondContact O-N 3.33Å; G112-N136 VanDerWaalsContact CA-OD1 3.24Å; G112-N136 WeakPolarHBondContact CA-OD1 3.04Å; G112-N136 PolarHBondContact N-OD1 3.22Å
113	Q	87	Confident	93.1	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	25%	0.252	S	S	.	.			trans	48.2	25	-177.8	-59.6	-68.3	-58.8	0	0	113.4	K86 H115 N136	K86-Q113 HydrophobicContact CD-CG 4.45Å; Q113-H115 PolarHBondContact O-CE1 2.98Å; Q113-H115 PolarHBondContact O-N 3.31Å; Q113-H115 PolarHBondContact O-ND1 3.42Å; Q113-N136 PolarHBondContact N-OD1 2.9Å
114	L	91.7	Very high	93.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.23	C	C	.	.			trans	-69.5	127.9	-168.9	-64.3	175.7	0	0	0	109.1	T88 D89 A92 L109 G112 N136 K137 L138	T88-L114 WeakPolarHBondContact O-CD2 3.4Å; D89-L114 WeakPolarHBondContact OD1-CA 3.32Å; D89-L114 WeakPolarHBondContact OD1-CD2 3.32Å; A92-L114 HydrophobicContact CB-CD1 4.07Å; A92-L114 HydrophobicContact CB-CD2 3.72Å; L109-L114 HydrophobicContact CB-CD1 3.89Å; G112-L114 PolarHBondContact O-N 3.33Å; L114-N136 HydrophobicContact CB-CB 4.13Å; L114-N136 WeakPolarHBondContact CG-OD1 3.38Å; L114-N136 PolarHBondContact N-OD1 2.89Å; L114-K137 CarbonylContact O-C 3.37Å; L114-K137 VanDerWaalsContact O-CA 3.26Å; L114-K137 WeakPolarHBondContact O-CA 3.38Å; L114-K137 WeakPolarHBondContact O-CB 3.18Å; L114-K137 PolarHBondContact O-N 2.85Å; L114-L138 HydrophobicContact CB-CD2 4.06Å; L114-L138 PolarHBondContact O-N 2.93Å; L114-L138 VanDerWaalsContact O-N 3.16Å
115	H	93.4	Very high	93	Very high	99 Å²	99	46.1 Å²	46.1	46%	0.458	22%	0.223	S	C	.	.	S	Bend	trans	-89.4	-27	177.9	-60.7	87.2	0	0	0	111.5	D89 Q113 K137	D89-H115 PolarHBondContact OD1-N 2.8Å; D89-H115 IonicContact OD2-ND1 3.1Å; Q113-H115 PolarHBondContact O-CE1 2.98Å; Q113-H115 PolarHBondContact O-N 3.31Å; Q113-H115 PolarHBondContact O-ND1 3.42Å; H115-K137 WeakPolarHBondContact NE2-CD 3.36Å
116	F	93.8	Very high	92.6	Very high	102 Å²	102	49 Å²	49	45%	0.447	23%	0.231	S	C	.	.	S	Bend	trans	-144.8	153.9	173.9	64.5	-84.2	0	0	0	110.3	D89 P118	D89-F116 HydrophobicContact CB-CE1 4.14Å; D89-F116 HydrophobicContact CB-CZ 4.14Å; F116-P118 HydrophobicContact CE2-CG 4.39Å
117	L	94.9	Very high	92.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.216	C	C	.	.			trans	-85.7	126.2	167.6	174	69.1	0	0	0	108.4	L109 I121 L131 L133 P142 I145	L109-L117 HydrophobicContact CD1-CD1 3.78Å; L117-I121 HydrophobicContact CD1-CB 4.49Å; L117-I121 HydrophobicContact CD1-CD1 4.34Å; L117-I121 HydrophobicContact CD1-CG1 4.45Å; L117-I121 HydrophobicContact CD2-CB 4.34Å; L117-I121 HydrophobicContact CD2-CG1 4.14Å; L117-I121 HydrophobicContact CD2-CG2 4.22Å; L117-I121 HydrophobicContact CG-CB 4.33Å; L117-I121 HydrophobicContact CG-CG2 4.44Å; L117-L131 HydrophobicContact CD2-CD2 4.38Å; L117-L133 HydrophobicContact CD1-CD2 3.88Å; L117-L133 HydrophobicContact CD2-CD1 4.05Å; L117-P142 HydrophobicContact CB-CG 4.03Å; L117-P142 HydrophobicContact CD2-CG 3.96Å; L117-P142 HydrophobicContact CG-CG 4.07Å; L117-P142 WeakPolarHBondContact O-CG 3.31Å; L117-I145 HydrophobicContact CD2-CD1 3.95Å
118	P	94	Very high	92.6	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.019	22%	0.215	C	C	.	.			trans	-61.6	139.2	-178.2	-26.2	35.6	0	0	0	113.3	A92 I93 I96 F116 S120 I121	A92-P118 HydrophobicContact CB-CG 4.12Å; I93-P118 HydrophobicContact CG1-CB 3.98Å; I93-P118 HydrophobicContact CG1-CG 3.77Å; I96-P118 HydrophobicContact CD1-CB 4.14Å; I96-P118 HydrophobicContact CD1-CG 4.13Å; F116-P118 HydrophobicContact CE2-CG 4.39Å; P118-S120 PolarHBondContact O-N 3.19Å; P118-I121 WeakPolarHBondContact O-CB 3.42Å; P118-I121 WeakPolarHBondContact O-CG2 3.46Å; P118-I121 PolarHBondContact O-N 3.28Å
119	P	95.3	Very high	92.8	Very high	65 Å²	65	46.7 Å²	46.7	42%	0.422	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.1	-21	174.5	-28.4	36.5	0	0	0	114.7	I121 R122 E144	P119-I121 PolarHBondContact O-N 3.29Å; P119-R122 WeakPolarHBondContact O-CG 3.32Å; P119-R122 PolarHBondContact O-N 2.84Å; P119-E144 HydrophobicContact CB-CG 4.13Å
120	S	94.7	Very high	93	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62	-8.1	172.8	61.4	0	0	0	0	113.6	I96 P118 R122 D123	I96-S120 WeakPolarHBondContact CG2-O 3.5Å; P118-S120 PolarHBondContact O-N 3.19Å; S120-R122 PolarHBondContact O-N 3.09Å; S120-R122 VanDerWaalsContact O-N 3.11Å; S120-D123 VanDerWaalsContact O-CB 3.3Å; S120-D123 WeakPolarHBondContact O-CB 3.13Å; S120-D123 PolarHBondContact O-N 3.32Å
121	I	96.2	Very high	93.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-55	-24.5	169.7	-164.8	64.1	0	0	0	112.4	I96 L107 L117 P118 P119 D123 V124 L128 L131 P142 E144 L148	I96-I121 HydrophobicContact CD1-CB 4.48Å; I96-I121 HydrophobicContact CD1-CD1 4.26Å; I96-I121 HydrophobicContact CG1-CD1 4.17Å; L107-I121 HydrophobicContact CD2-CD1 3.51Å; L117-I121 HydrophobicContact CD1-CB 4.49Å; L117-I121 HydrophobicContact CD1-CD1 4.34Å; L117-I121 HydrophobicContact CD1-CG1 4.45Å; L117-I121 HydrophobicContact CD2-CB 4.34Å; L117-I121 HydrophobicContact CD2-CG1 4.14Å; L117-I121 HydrophobicContact CD2-CG2 4.22Å; L117-I121 HydrophobicContact CG-CB 4.33Å; L117-I121 HydrophobicContact CG-CG2 4.44Å; P118-I121 WeakPolarHBondContact O-CB 3.42Å; P118-I121 WeakPolarHBondContact O-CG2 3.46Å; P118-I121 PolarHBondContact O-N 3.28Å; P119-I121 PolarHBondContact O-N 3.29Å; I121-D123 PolarHBondContact O-N 2.88Å; I121-D123 VanDerWaalsContact O-N 3.16Å; I121-V124 HydrophobicContact CD1-CG2 3.82Å; I121-V124 HydrophobicContact CG1-CG2 4.41Å; I121-V124 WeakPolarHBondContact O-CG2 3.37Å; I121-V124 PolarHBondContact O-N 2.6Å; I121-L128 HydrophobicContact CD1-CD2 4.28Å; I121-L131 HydrophobicContact CD1-CD1 4.46Å; I121-P142 HydrophobicContact CG2-CG 4.45Å; I121-E144 HydrophobicContact CG2-CB 3.91Å; I121-L148 HydrophobicContact CG1-CD1 4.06Å; I121-L148 HydrophobicContact CG1-CD2 4.26Å; I121-L148 WeakPolarHBondContact O-CD2 3.38Å
122	R	96.2	Very high	93.9	Very high	139 Å²	139	42.4 Å²	42.4	53%	0.525	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-60.7	-21.7	173.5	77.8	-172.9	-46.5	-173	7.7	114.1	P119 S120 V124 A125 E144 T147	P119-R122 WeakPolarHBondContact O-CG 3.32Å; P119-R122 PolarHBondContact O-N 2.84Å; S120-R122 PolarHBondContact O-N 3.09Å; S120-R122 VanDerWaalsContact O-N 3.11Å; R122-V124 PolarHBondContact O-N 3.32Å; R122-A125 WeakPolarHBondContact O-CB 3.09Å; R122-A125 PolarHBondContact O-N 3.31Å; R122-E144 HydrophobicContact CB-CB 4.23Å; R122-E144 HydrophobicContact CB-CG 4.28Å; R122-T147 WeakPolarHBondContact CA-OG1 3.1Å; R122-T147 HydrophobicContact CB-CG2 4.31Å; R122-T147 WeakPolarHBondContact CB-OG1 3.38Å
123	D	95.5	Very high	94.8	Very high	62 Å²	62	42.4 Å²	42.4	33%	0.332	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-75.5	-12.8	-175.8	-59.9	-6.4	0	0	0	112.7	R100 S120 I121	R100-D123 IonicContact NH1-OD2 3.03Å; R100-D123 PolarHBondContact NH1-OD2 2.64Å; S120-D123 VanDerWaalsContact O-CB 3.3Å; S120-D123 WeakPolarHBondContact O-CB 3.13Å; S120-D123 PolarHBondContact O-N 3.32Å; I121-D123 PolarHBondContact O-N 2.88Å; I121-D123 VanDerWaalsContact O-N 3.16Å
124	V	95.8	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-106.3	10.7	174.8	-63.5	0	0	0	0	112.6	I96 C99 R100 I121 R122 H126 H127 L128 L148	I96-V124 HydrophobicContact CG2-CG1 4.31Å; C99-V124 HydrophobicContact CB-CG1 4.25Å; R100-V124 HydrophobicContact CB-CG1 3.77Å; I121-V124 HydrophobicContact CD1-CG2 3.82Å; I121-V124 HydrophobicContact CG1-CG2 4.41Å; I121-V124 WeakPolarHBondContact O-CG2 3.37Å; I121-V124 PolarHBondContact O-N 2.6Å; R122-V124 PolarHBondContact O-N 3.32Å; V124-H126 VanDerWaalsContact C-N 3.26Å; V124-H126 PolarHBondContact O-N 3.45Å; V124-H126 VanDerWaalsContact O-N 3.15Å; V124-H127 PolarHBondContact O-CD2 3.06Å; V124-H127 PolarHBondContact O-N 2.95Å; V124-L128 HydrophobicContact CB-CB 4.35Å; V124-L128 HydrophobicContact CG2-CB 4.19Å; V124-L128 HydrophobicContact CG2-CD2 3.9Å; V124-L128 WeakPolarHBondContact O-CB 3.31Å; V124-L128 PolarHBondContact O-N 2.81Å; V124-L128 VanDerWaalsContact O-N 3.13Å; V124-L148 HydrophobicContact CG2-CD2 4.35Å
125	A	92.3	Very high	95.3	Very high	16 Å²	16	42.6 Å²	42.6	13%	0.132	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.7	-174.2	0	0	0	0	0	115.3	R122 H127 T147 L148	R122-A125 WeakPolarHBondContact O-CB 3.09Å; R122-A125 PolarHBondContact O-N 3.31Å; A125-H127 PolarHBondContact O-N 2.79Å; A125-T147 WeakPolarHBondContact CB-O 3.47Å; A125-L148 HydrophobicContact CB-CD2 4.34Å
126	H	89	Confident	95.4	Very high	129 Å²	129	38.5 Å²	38.5	60%	0.597	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.5	-172.1	61.6	-81.6	0	0	0	114.5	N103 V124	N103-H126 PolarHBondContact OD1-NE2 2.92Å; N103-H126 VanDerWaalsContact OD1-NE2 3.08Å; V124-H126 VanDerWaalsContact C-N 3.26Å; V124-H126 PolarHBondContact O-N 3.45Å; V124-H126 VanDerWaalsContact O-N 3.15Å
127	H	94.7	Very high	95.4	Very high	15 Å²	15	38 Å²	38	7%	0.069	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-16.5	-170.7	67.3	103.2	0	0	0	115.1	C99 N103 T104 V124 A125 K129	C99-H127 PolarHBondContact O-CE1 3.28Å; N103-H127 VanDerWaalsContact OD1-CG 3.29Å; T104-H127 PolarHBondContact O-CE1 3.32Å; T104-H127 PolarHBondContact O-ND1 3.1Å; V124-H127 PolarHBondContact O-CD2 3.06Å; V124-H127 PolarHBondContact O-N 2.95Å; A125-H127 PolarHBondContact O-N 2.79Å; H127-K129 PolarHBondContact O-N 3Å
128	L	98	Very high	95.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.			trans	-70.2	121.5	-175.9	-168.7	71.4	0	0	0	111.3	L107 I121 V124 L131 L148 A150 L151	L107-L128 HydrophobicContact CB-CD1 3.52Å; L107-L128 HydrophobicContact CB-CD2 4.22Å; L107-L128 HydrophobicContact CD2-CD2 4.39Å; I121-L128 HydrophobicContact CD1-CD2 4.28Å; V124-L128 HydrophobicContact CB-CB 4.35Å; V124-L128 HydrophobicContact CG2-CB 4.19Å; V124-L128 HydrophobicContact CG2-CD2 3.9Å; V124-L128 WeakPolarHBondContact O-CB 3.31Å; V124-L128 PolarHBondContact O-N 2.81Å; V124-L128 VanDerWaalsContact O-N 3.13Å; L128-L131 HydrophobicContact CD2-CB 4.21Å; L128-L131 HydrophobicContact CD2-CD1 4.34Å; L128-L148 HydrophobicContact CD2-CD1 4.12Å; L128-L148 HydrophobicContact CD2-CD2 4.35Å; L128-A150 CarbonylContact O-C 3.13Å; L128-A150 VanDerWaalsContact O-C 3.29Å; L128-L151 PolarHBondContact O-N 2.74Å
129	K	98	Very high	95.6	Very high	86 Å²	86	41.4 Å²	41.4	37%	0.374	20%	0.204	S	C	.	.			trans	-108.3	-31.7	178.7	-66.5	-175.1	165.8	-132.7	0	113.2	T105 H127 E152 I153	T105-K129 HydrophobicContact CG2-CD 4.35Å; T105-K129 HydrophobicContact CG2-CG 4.5Å; T105-K129 WeakPolarHBondContact O-CA 3.24Å; T105-K129 PolarHBondContact O-N 3.11Å; H127-K129 PolarHBondContact O-N 3Å; K129-E152 WeakPolarHBondContact CD-OE1 3.29Å; K129-E152 WeakPolarHBondContact CE-OE1 3.2Å; K129-E152 IonicContact NZ-OE1 2.81Å; K129-E152 PolarHBondContact NZ-OE1 2.97Å; K129-E152 PolarHBondContact O-N 3.19Å; K129-I153 PolarHBondContact O-N 2.94Å
130	E	98.3	Very high	95.7	Very high	51 Å²	51	42.7 Å²	42.7	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.9	-177.1	-54.5	179.2	-153.6	0	0	111	T105 R106 L107 Y132 I153	T105-E130 PolarHBondContact O-N 2.82Å; R106-E130 WeakPolarHBondContact CA-O 3.49Å; R106-E130 HydrophobicContact CB-CB 4.15Å; R106-E130 WeakPolarHBondContact CD-OE2 3.48Å; R106-E130 HydrophobicContact CG-CB 4.12Å; R106-E130 IonicContact NH1-OE2 3.93Å; L107-E130 PolarHBondContact N-O 3.1Å; E130-Y132 HydrophobicContact CB-CD2 4.44Å; E130-Y132 HydrophobicContact CB-CE2 3.7Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.37Å; E130-Y132 PolarHBondContact OE2-OH 2.93Å; E130-I153 HydrophobicContact CB-CB 4.38Å; E130-I153 HydrophobicContact CG-CB 4.19Å; E130-I153 HydrophobicContact CG-CD1 4.13Å; E130-I153 HydrophobicContact CG-CG1 4.37Å
131	L	98	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.8	178.3	-179.5	55.9	0	0	0	110.9	L107 L117 I121 L128 L133 I145 L148 L151 I153 L154 M155	L107-L131 HydrophobicContact CB-CD1 4.06Å; L107-L131 HydrophobicContact CD2-CD1 3.91Å; L107-L131 HydrophobicContact CG-CD1 3.97Å; L117-L131 HydrophobicContact CD2-CD2 4.38Å; I121-L131 HydrophobicContact CD1-CD1 4.46Å; L128-L131 HydrophobicContact CD2-CB 4.21Å; L128-L131 HydrophobicContact CD2-CD1 4.34Å; L131-L133 HydrophobicContact CD1-CD1 4.33Å; L131-L133 HydrophobicContact CD1-CD2 4.33Å; L131-L133 HydrophobicContact CD1-CG 4.08Å; L131-L133 HydrophobicContact CD2-CD1 3.81Å; L131-L133 HydrophobicContact CD2-CG 4.44Å; L131-L133 HydrophobicContact CG-CD1 3.84Å; L131-L133 HydrophobicContact CG-CG 3.96Å; L131-I145 HydrophobicContact CD2-CD1 3.7Å; L131-L148 HydrophobicContact CD2-CD1 3.96Å; L131-L151 HydrophobicContact CB-CD1 3.76Å; L131-I153 PolarHBondContact N-O 2.88Å; L131-L154 HydrophobicContact CB-CD1 4.03Å; L131-L154 HydrophobicContact CD2-CD1 3.91Å; L131-L154 HydrophobicContact CG-CD1 3.99Å; L131-M155 PolarHBondContact O-N 2.7Å
132	Y	97.3	Very high	95.8	Very high	13 Å²	13	42.9 Å²	42.9	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.7	178.5	-58	-100.2	0	0	0	110.6	R106 L107 L109 E130 Y134 M155	R106-Y132 HydrophobicContact CG-CD2 4.2Å; R106-Y132 HydrophobicContact CG-CE2 3.87Å; R106-Y132 VanDerWaalsContact NE-CE2 3.32Å; L107-Y132 PolarHBondContact O-N 2.84Å; L109-Y132 CarbonylContact C-O 3.29Å; L109-Y132 WeakPolarHBondContact CA-O 3.48Å; L109-Y132 PolarHBondContact N-O 3Å; E130-Y132 HydrophobicContact CB-CD2 4.44Å; E130-Y132 HydrophobicContact CB-CE2 3.7Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.37Å; E130-Y132 PolarHBondContact OE2-OH 2.93Å; Y132-Y134 HydrophobicContact CD1-CD1 4.25Å; Y132-Y134 AromaticContact CD1-CE1 3.84Å; Y132-Y134 HydrophobicContact CD1-CE1 3.84Å; Y132-Y134 HydrophobicContact CG-CE1 4.42Å; Y132-M155 HydrophobicContact CD1-CB 3.78Å; Y132-M155 HydrophobicContact CD1-CG 3.51Å; Y132-M155 HydrophobicContact CE1-CB 4.4Å; Y132-M155 HydrophobicContact CE1-CG 3.64Å; Y132-M155 HydrophobicContact CG-CB 4.4Å; Y132-M155 HydrophobicContact CG-CG 4.36Å
133	L	96.4	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.			trans	-131.9	10.6	-173.1	-71.2	169.5	0	0	0	112.7	L109 L117 L131 N136 L138 L141 L154 M155 V156 N159	L109-L133 HydrophobicContact CB-CD2 3.75Å; L109-L133 HydrophobicContact CD1-CD2 3.94Å; L109-L133 HydrophobicContact CG-CD2 4.44Å; L117-L133 HydrophobicContact CD1-CD2 3.88Å; L117-L133 HydrophobicContact CD2-CD1 4.05Å; L131-L133 HydrophobicContact CD1-CD1 4.33Å; L131-L133 HydrophobicContact CD1-CD2 4.33Å; L131-L133 HydrophobicContact CD1-CG 4.08Å; L131-L133 HydrophobicContact CD2-CD1 3.81Å; L131-L133 HydrophobicContact CD2-CG 4.44Å; L131-L133 HydrophobicContact CG-CD1 3.84Å; L131-L133 HydrophobicContact CG-CG 3.96Å; L133-N136 PolarHBondContact O-ND2 3.23Å; L133-L138 HydrophobicContact CB-CD1 3.96Å; L133-L138 HydrophobicContact CD1-CD1 4.28Å; L133-L138 HydrophobicContact CD2-CD1 4.28Å; L133-L138 HydrophobicContact CG-CD1 4.41Å; L133-L141 HydrophobicContact CD1-CD2 4.17Å; L133-L154 HydrophobicContact CD1-CD1 4.24Å; L133-M155 CarbonylContact C-O 3.6Å; L133-M155 WeakPolarHBondContact CA-O 3.16Å; L133-M155 PolarHBondContact N-O 3.39Å; L133-V156 HydrophobicContact CB-CB 4.48Å; L133-V156 HydrophobicContact CB-CG1 3.79Å; L133-V156 HydrophobicContact CD1-CG1 3.7Å; L133-V156 HydrophobicContact CG-CG1 4.33Å; L133-N159 PolarHBondContact O-ND2 2.69Å
134	Y	95	Very high	96	Very high	54 Å²	54	40.7 Å²	40.7	21%	0.212	21%	0.205	C	C	.	.			trans	-72.2	160.1	-174.8	66.8	-98.4	0	0	0	114.2	T110 K111 Y132 M155 Q157	T110-Y134 VanDerWaalsContact CA-O 3.31Å; T110-Y134 WeakPolarHBondContact CA-O 3.49Å; T110-Y134 WeakPolarHBondContact CB-O 3.24Å; T110-Y134 HydrophobicContact CG2-CD1 3.36Å; T110-Y134 HydrophobicContact CG2-CD2 4.01Å; T110-Y134 HydrophobicContact CG2-CE1 3.14Å; T110-Y134 HydrophobicContact CG2-CE2 3.82Å; T110-Y134 HydrophobicContact CG2-CG 3.77Å; K111-Y134 PolarHBondContact N-O 3.38Å; K111-Y134 VanDerWaalsContact N-O 3.1Å; Y132-Y134 HydrophobicContact CD1-CD1 4.25Å; Y132-Y134 AromaticContact CD1-CE1 3.84Å; Y132-Y134 HydrophobicContact CD1-CE1 3.84Å; Y132-Y134 HydrophobicContact CG-CE1 4.42Å; Y134-M155 HydrophobicContact CD1-CB 4.18Å; Y134-M155 PolarHBondContact N-O 3.08Å; Y134-Q157 WeakPolarHBondContact CA-O 3.35Å; Y134-Q157 WeakPolarHBondContact CB-O 3.48Å
135	C	94.7	Very high	96.1	Very high	31 Å²	31	40.7 Å²	40.7	21%	0.209	21%	0.205	C	C	.	.	S	Bend	trans	57.1	45.8	-173.7	-57	0	0	0	0	113.5	K111 Q157 E158	K111-C135 WeakPolarHBondContact CA-O 3.3Å; K111-C135 HydrophobicContact CG-CB 3.74Å; C135-Q157 PolarHBondContact N-O 3.4Å; C135-E158 WeakPolarHBondContact CA-O 3.35Å; C135-E158 PolarHBondContact N-O 3.23Å; C135-E158 PolarHBondContact SG-OE2 3.03Å
136	N	94.7	Very high	96.3	Very high	14 Å²	14	40.2 Å²	40.2	8%	0.075	20%	0.201	C	C	.	.	S	Bend	trans	-119	-163.7	177.1	-80.6	-57.2	0	0	0	110.7	L109 G112 Q113 L114 L133 L138 E158 N159	L109-N136 PolarHBondContact O-ND2 3.12Å; G112-N136 VanDerWaalsContact CA-OD1 3.24Å; G112-N136 WeakPolarHBondContact CA-OD1 3.04Å; G112-N136 PolarHBondContact N-OD1 3.22Å; Q113-N136 PolarHBondContact N-OD1 2.9Å; L114-N136 HydrophobicContact CB-CB 4.13Å; L114-N136 WeakPolarHBondContact CG-OD1 3.38Å; L114-N136 PolarHBondContact N-OD1 2.89Å; L133-N136 PolarHBondContact O-ND2 3.23Å; N136-L138 HydrophobicContact CB-CG 4.12Å; N136-E158 PolarHBondContact N-O 3.24Å; N136-N159 VanDerWaalsContact CA-OD1 3.31Å; N136-N159 WeakPolarHBondContact CA-OD1 3.43Å; N136-N159 WeakPolarHBondContact CB-OD1 3.27Å; N136-N159 PolarHBondContact O-OD1 2.82Å
137	K	95.2	Very high	96.7	Very high	91 Å²	91	35.3 Å²	35.3	40%	0.396	18%	0.18	S	C	.	.			trans	-121.7	26.8	177.1	-65.9	-179.9	173.1	169.7	0	111.5	L114 H115 V139 N159	L114-K137 CarbonylContact O-C 3.37Å; L114-K137 VanDerWaalsContact O-CA 3.26Å; L114-K137 WeakPolarHBondContact O-CA 3.38Å; L114-K137 WeakPolarHBondContact O-CB 3.18Å; L114-K137 PolarHBondContact O-N 2.85Å; H115-K137 WeakPolarHBondContact NE2-CD 3.36Å; K137-V139 PolarHBondContact O-N 2.83Å; K137-N159 PolarHBondContact N-OD1 3.23Å
138	L	96.3	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.			trans	-62.7	126.5	-176.4	-59.9	174	0	0	0	109.4	L114 L133 N136 L141 N159 S160 L161	L114-L138 HydrophobicContact CB-CD2 4.06Å; L114-L138 PolarHBondContact O-N 2.93Å; L114-L138 VanDerWaalsContact O-N 3.16Å; L133-L138 HydrophobicContact CB-CD1 3.96Å; L133-L138 HydrophobicContact CD1-CD1 4.28Å; L133-L138 HydrophobicContact CD2-CD1 4.28Å; L133-L138 HydrophobicContact CG-CD1 4.41Å; N136-L138 HydrophobicContact CB-CG 4.12Å; L138-L141 HydrophobicContact CD1-CD2 4.11Å; L138-N159 HydrophobicContact CB-CB 4.2Å; L138-N159 VanDerWaalsContact CB-OD1 3.29Å; L138-N159 WeakPolarHBondContact CB-OD1 3.38Å; L138-N159 WeakPolarHBondContact CG-OD1 3.31Å; L138-N159 PolarHBondContact N-OD1 3Å; L138-S160 CarbonylContact O-C 3.57Å; L138-S160 VanDerWaalsContact O-C 3.25Å; L138-S160 WeakPolarHBondContact O-CA 3.31Å; L138-S160 PolarHBondContact O-N 2.7Å; L138-L161 HydrophobicContact CB-CD2 4.15Å; L138-L161 PolarHBondContact O-N 2.97Å
139	V	96.7	Very high	96.8	Very high	76 Å²	76	40.1 Å²	40.1	46%	0.461	20%	0.201	S	C	.	.	S	Bend	trans	-96	-31.7	174.5	-177.3	0	0	0	0	110.9	K137 L161	K137-V139 PolarHBondContact O-N 2.83Å; V139-L161 WeakPolarHBondContact O-CA 3.46Å
140	N	96	Very high	96.7	Very high	93 Å²	93	37.4 Å²	37.4	50%	0.497	19%	0.194	S	C	.	.			trans	-143.3	160.7	174.8	-64.5	-56.9	0	0	0	110
141	L	97.5	Very high	96.7	Very high	9 Å²	9	35 Å²	35	5%	0.047	18%	0.183	C	C	.	.			trans	-96.8	144.6	163.4	-59.8	179.3	0	0	0	109.8	L133 L138 L154 V156 L161 L164 P165	L133-L141 HydrophobicContact CD1-CD2 4.17Å; L138-L141 HydrophobicContact CD1-CD2 4.11Å; L141-L154 HydrophobicContact CD1-CD2 4.31Å; L141-V156 HydrophobicContact CD1-CG1 4.28Å; L141-V156 HydrophobicContact CD2-CG1 4.25Å; L141-L161 HydrophobicContact CG-CD2 4.34Å; L141-L164 HydrophobicContact CD1-CD2 3.78Å; L141-L164 HydrophobicContact CG-CD2 4.45Å; L141-P165 HydrophobicContact CB-CG 3.96Å
142	P	97.1	Very high	96.7	Very high	22 Å²	22	36.8 Å²	36.8	14%	0.143	19%	0.192	C	C	.	.			trans	-71.5	154.6	178.6	32.4	-38.6	0	0	0	111.4	L117 I121 E144 I145	L117-P142 HydrophobicContact CB-CG 4.03Å; L117-P142 HydrophobicContact CD2-CG 3.96Å; L117-P142 HydrophobicContact CG-CG 4.07Å; L117-P142 WeakPolarHBondContact O-CG 3.31Å; I121-P142 HydrophobicContact CG2-CG 4.45Å; P142-E144 WeakPolarHBondContact CB-OE2 3.45Å; P142-E144 PolarHBondContact O-N 3.32Å; P142-E144 VanDerWaalsContact O-N 3.15Å; P142-I145 WeakPolarHBondContact O-CB 3.47Å; P142-I145 VanDerWaalsContact O-CG2 3.24Å; P142-I145 WeakPolarHBondContact O-CG2 3.48Å; P142-I145 PolarHBondContact O-N 3.35Å
143	N	97.7	Very high	96.8	Very high	102 Å²	102	36.8 Å²	36.8	55%	0.545	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.8	-28	178	-76.9	-24.1	0	0	0	112.5	I145 G146 T167	N143-I145 PolarHBondContact O-N 3.22Å; N143-I145 VanDerWaalsContact O-N 3.13Å; N143-G146 PolarHBondContact O-N 3.18Å; N143-G146 VanDerWaalsContact O-N 3.09Å; N143-T167 VanDerWaalsContact CA-OG1 3.3Å; N143-T167 WeakPolarHBondContact CA-OG1 3.34Å; N143-T167 HydrophobicContact CB-CG2 3.98Å; N143-T167 VanDerWaalsContact O-CB 3.26Å; N143-T167 WeakPolarHBondContact O-CB 3.32Å; N143-T167 PolarHBondContact O-OG1 3.42Å
144	E	97.6	Very high	96.9	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.2	-17	176.3	-70.6	79	-177.2	0	0	113.6	P119 I121 R122 P142 G146 T147	P119-E144 HydrophobicContact CB-CG 4.13Å; I121-E144 HydrophobicContact CG2-CB 3.91Å; R122-E144 HydrophobicContact CB-CB 4.23Å; R122-E144 HydrophobicContact CB-CG 4.28Å; P142-E144 WeakPolarHBondContact CB-OE2 3.45Å; P142-E144 PolarHBondContact O-N 3.32Å; P142-E144 VanDerWaalsContact O-N 3.15Å; E144-G146 PolarHBondContact O-N 3.42Å; E144-T147 WeakPolarHBondContact O-CB 3.48Å; E144-T147 PolarHBondContact O-N 3.37Å; E144-T147 PolarHBondContact O-OG1 3.03Å
145	I	97.7	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-54.8	-34.3	171.2	-160.4	75.9	0	0	0	111.4	L117 L131 P142 N143 T147 L148 P165 L168 C171	L117-I145 HydrophobicContact CD2-CD1 3.95Å; L131-I145 HydrophobicContact CD2-CD1 3.7Å; P142-I145 WeakPolarHBondContact O-CB 3.47Å; P142-I145 VanDerWaalsContact O-CG2 3.24Å; P142-I145 WeakPolarHBondContact O-CG2 3.48Å; P142-I145 PolarHBondContact O-N 3.35Å; N143-I145 PolarHBondContact O-N 3.22Å; N143-I145 VanDerWaalsContact O-N 3.13Å; I145-T147 PolarHBondContact O-N 3.47Å; I145-T147 VanDerWaalsContact O-N 3.13Å; I145-L148 HydrophobicContact CD1-CD1 3.67Å; I145-L148 HydrophobicContact CG1-CD1 4.35Å; I145-L148 WeakPolarHBondContact O-CB 3.41Å; I145-L148 WeakPolarHBondContact O-CG 3.29Å; I145-L148 PolarHBondContact O-N 3.15Å; I145-L148 VanDerWaalsContact O-N 3.11Å; I145-P165 HydrophobicContact CG2-CG 3.58Å; I145-L168 HydrophobicContact CG1-CD1 4Å; I145-L168 HydrophobicContact CG2-CB 4.3Å; I145-L168 HydrophobicContact CG2-CD1 4.1Å; I145-C171 PolarHBondContact O-SG 3.2Å
146	G	97	Very high	97.1	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-67.2	-10.8	177.7	0	0	0	0	0	114.6	N143 E144 L148 F149 T167 Q170	N143-G146 PolarHBondContact O-N 3.18Å; N143-G146 VanDerWaalsContact O-N 3.09Å; E144-G146 PolarHBondContact O-N 3.42Å; G146-L148 VanDerWaalsContact C-N 3.29Å; G146-F149 WeakPolarHBondContact O-CE1 3.15Å; G146-T167 WeakPolarHBondContact CA-O 3.38Å; G146-Q170 WeakPolarHBondContact O-CB 3.48Å
147	T	97.3	Very high	97.2	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.16	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-80.4	-13.2	174.4	67.1	0	0	0	0	112.6	R122 A125 E144 I145 F149	R122-T147 WeakPolarHBondContact CA-OG1 3.1Å; R122-T147 HydrophobicContact CB-CG2 4.31Å; R122-T147 WeakPolarHBondContact CB-OG1 3.38Å; A125-T147 WeakPolarHBondContact CB-O 3.47Å; E144-T147 WeakPolarHBondContact O-CB 3.48Å; E144-T147 PolarHBondContact O-N 3.37Å; E144-T147 PolarHBondContact O-OG1 3.03Å; I145-T147 PolarHBondContact O-N 3.47Å; I145-T147 VanDerWaalsContact O-N 3.13Å; T147-F149 WeakPolarHBondContact O-CD2 3.35Å; T147-F149 WeakPolarHBondContact O-CE2 3.48Å; T147-F149 WeakPolarHBondContact O-CG 3.27Å; T147-F149 PolarHBondContact O-N 2.98Å
148	L	97.6	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.			trans	-79.4	65.3	-178.2	-53.8	-179.6	0	0	0	111.4	I121 V124 A125 L128 L131 I145 G146 A150 L151	I121-L148 HydrophobicContact CG1-CD1 4.06Å; I121-L148 HydrophobicContact CG1-CD2 4.26Å; I121-L148 WeakPolarHBondContact O-CD2 3.38Å; V124-L148 HydrophobicContact CG2-CD2 4.35Å; A125-L148 HydrophobicContact CB-CD2 4.34Å; L128-L148 HydrophobicContact CD2-CD1 4.12Å; L128-L148 HydrophobicContact CD2-CD2 4.35Å; L131-L148 HydrophobicContact CD2-CD1 3.96Å; I145-L148 HydrophobicContact CD1-CD1 3.67Å; I145-L148 HydrophobicContact CG1-CD1 4.35Å; I145-L148 WeakPolarHBondContact O-CB 3.41Å; I145-L148 WeakPolarHBondContact O-CG 3.29Å; I145-L148 PolarHBondContact O-N 3.15Å; I145-L148 VanDerWaalsContact O-N 3.11Å; G146-L148 VanDerWaalsContact C-N 3.29Å; L148-A150 PolarHBondContact O-N 3.2Å; L148-A150 VanDerWaalsContact O-N 3.12Å; L148-L151 HydrophobicContact CB-CB 3.91Å; L148-L151 HydrophobicContact CB-CD2 4.35Å; L148-L151 HydrophobicContact CD1-CD1 4.46Å; L148-L151 HydrophobicContact CD1-CD2 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.25Å; L148-L151 PolarHBondContact O-N 2.88Å
149	F	95.8	Very high	97.3	Very high	117 Å²	117	34.3 Å²	34.3	51%	0.513	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.9	-172.6	-51.9	-61.3	0	0	0	114.2	G146 T147 Q170 Q173	G146-F149 WeakPolarHBondContact O-CE1 3.15Å; T147-F149 WeakPolarHBondContact O-CD2 3.35Å; T147-F149 WeakPolarHBondContact O-CE2 3.48Å; T147-F149 WeakPolarHBondContact O-CG 3.27Å; T147-F149 PolarHBondContact O-N 2.98Å; F149-Q170 HydrophobicContact CD1-CB 4.44Å; F149-Q170 HydrophobicContact CE1-CB 4.18Å; F149-Q173 WeakPolarHBondContact O-CG 3.43Å
150	A	96.2	Very high	97.3	Very high	28 Å²	28	32.3 Å²	32.3	23%	0.231	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0	178	0	0	0	0	0	113.8	L128 L148 E152	L128-A150 CarbonylContact O-C 3.13Å; L128-A150 VanDerWaalsContact O-C 3.29Å; L148-A150 PolarHBondContact O-N 3.2Å; L148-A150 VanDerWaalsContact O-N 3.12Å; A150-E152 PolarHBondContact O-N 3.43Å
151	L	98.4	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.			trans	-66.6	122.9	-174.8	-168	69.5	0	0	0	110.9	L128 L131 L148 L154 Q173 L174	L128-L151 PolarHBondContact O-N 2.74Å; L131-L151 HydrophobicContact CB-CD1 3.76Å; L148-L151 HydrophobicContact CB-CB 3.91Å; L148-L151 HydrophobicContact CB-CD2 4.35Å; L148-L151 HydrophobicContact CD1-CD1 4.46Å; L148-L151 HydrophobicContact CD1-CD2 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.25Å; L148-L151 PolarHBondContact O-N 2.88Å; L151-L154 HydrophobicContact CD2-CB 4.16Å; L151-L154 HydrophobicContact CD2-CD1 4.43Å; L151-L154 HydrophobicContact CD2-CD2 4.46Å; L151-Q173 CarbonylContact O-C 3.6Å; L151-L174 HydrophobicContact CB-CD1 4.43Å; L151-L174 HydrophobicContact CD2-CD1 3.94Å; L151-L174 HydrophobicContact CG-CD1 3.81Å; L151-L174 VanDerWaalsContact O-CA 3.27Å; L151-L174 WeakPolarHBondContact O-CA 3.07Å; L151-L174 PolarHBondContact O-N 3.08Å
152	E	98.4	Very high	97.3	Very high	39 Å²	39	30.8 Å²	30.8	18%	0.182	17%	0.168	C	C	.	.			trans	-109.3	-30.9	-179.9	-62.1	179.9	-151.2	0	0	111.9	K129 A150 Q173 R175 V176	K129-E152 WeakPolarHBondContact CD-OE1 3.29Å; K129-E152 WeakPolarHBondContact CE-OE1 3.2Å; K129-E152 IonicContact NZ-OE1 2.81Å; K129-E152 PolarHBondContact NZ-OE1 2.97Å; K129-E152 PolarHBondContact O-N 3.19Å; A150-E152 PolarHBondContact O-N 3.43Å; E152-Q173 HydrophobicContact CG-CB 4.42Å; E152-R175 PolarHBondContact O-N 3.29Å; E152-R175 IonicContact OE2-CZ 2.92Å; E152-R175 IonicContact OE2-NE 3.78Å; E152-R175 PolarHBondContact OE2-NE 3.45Å; E152-R175 IonicContact OE2-NH2 3.31Å; E152-R175 PolarHBondContact OE2-NH2 2.82Å; E152-V176 PolarHBondContact O-N 3.1Å
153	I	98.6	Very high	97.3	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.062	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.3	-176.8	-57.3	-176.8	0	0	0	110	K129 E130 L131 M155 V176	K129-I153 PolarHBondContact O-N 2.94Å; E130-I153 HydrophobicContact CB-CB 4.38Å; E130-I153 HydrophobicContact CG-CB 4.19Å; E130-I153 HydrophobicContact CG-CD1 4.13Å; E130-I153 HydrophobicContact CG-CG1 4.37Å; L131-I153 PolarHBondContact N-O 2.88Å; I153-M155 HydrophobicContact CG2-CG 3.85Å; I153-M155 HydrophobicContact CG2-SD 3.88Å; I153-V176 HydrophobicContact CB-CB 4.44Å; I153-V176 HydrophobicContact CG1-CB 4.16Å; I153-V176 HydrophobicContact CG1-CG2 4.22Å; I153-V176 HydrophobicContact CG2-CB 4.2Å; I153-V176 HydrophobicContact CG2-CG1 4.4Å
154	L	98.5	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.5	174.3	-179.2	58.3	0	0	0	110.6	L131 L133 L141 L151 V156 L168 L174 V176 L177 D178	L131-L154 HydrophobicContact CB-CD1 4.03Å; L131-L154 HydrophobicContact CD2-CD1 3.91Å; L131-L154 HydrophobicContact CG-CD1 3.99Å; L133-L154 HydrophobicContact CD1-CD1 4.24Å; L141-L154 HydrophobicContact CD1-CD2 4.31Å; L151-L154 HydrophobicContact CD2-CB 4.16Å; L151-L154 HydrophobicContact CD2-CD1 4.43Å; L151-L154 HydrophobicContact CD2-CD2 4.46Å; L154-V156 HydrophobicContact CD1-CG1 3.66Å; L154-V156 HydrophobicContact CD2-CG1 4.46Å; L154-V156 HydrophobicContact CG-CG1 3.92Å; L154-L168 HydrophobicContact CD2-CD1 4.07Å; L154-L174 HydrophobicContact CB-CD1 3.82Å; L154-L174 HydrophobicContact CB-CD2 4.38Å; L154-V176 PolarHBondContact N-O 3.39Å; L154-L177 HydrophobicContact CB-CD1 4.06Å; L154-L177 HydrophobicContact CD2-CD1 3.87Å; L154-L177 HydrophobicContact CG-CD1 4.03Å; L154-D178 PolarHBondContact O-N 2.76Å
155	M	98.1	Very high	97.3	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	99.5	-178.3	-52.9	-62	-68.4	0	0	109.7	L131 Y132 L133 Y134 I153 Q157 V176 D178	L131-M155 PolarHBondContact O-N 2.7Å; Y132-M155 HydrophobicContact CD1-CB 3.78Å; Y132-M155 HydrophobicContact CD1-CG 3.51Å; Y132-M155 HydrophobicContact CE1-CB 4.4Å; Y132-M155 HydrophobicContact CE1-CG 3.64Å; Y132-M155 HydrophobicContact CG-CB 4.4Å; Y132-M155 HydrophobicContact CG-CG 4.36Å; L133-M155 CarbonylContact C-O 3.6Å; L133-M155 WeakPolarHBondContact CA-O 3.16Å; L133-M155 PolarHBondContact N-O 3.39Å; Y134-M155 HydrophobicContact CD1-CB 4.18Å; Y134-M155 PolarHBondContact N-O 3.08Å; I153-M155 HydrophobicContact CG2-CG 3.85Å; I153-M155 HydrophobicContact CG2-SD 3.88Å; M155-Q157 VanDerWaalsContact C-OE1 3.26Å; M155-V176 HydrophobicContact SD-CG1 4.16Å; M155-D178 HydrophobicContact CE-CB 3.44Å; M155-D178 VanDerWaalsContact CE-CB 3.44Å; M155-D178 VanDerWaalsContact CE-OD2 3.22Å; M155-D178 WeakPolarHBondContact CE-OD2 3.06Å; M155-D178 HydrophobicContact SD-CB 3.6Å
156	V	97	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.			trans	-122	18.6	-176	-65.1	0	0	0	0	112.5	L133 L141 L154 N159 L161 D178 I179 N182	L133-V156 HydrophobicContact CB-CB 4.48Å; L133-V156 HydrophobicContact CB-CG1 3.79Å; L133-V156 HydrophobicContact CD1-CG1 3.7Å; L133-V156 HydrophobicContact CG-CG1 4.33Å; L141-V156 HydrophobicContact CD1-CG1 4.28Å; L141-V156 HydrophobicContact CD2-CG1 4.25Å; L154-V156 HydrophobicContact CD1-CG1 3.66Å; L154-V156 HydrophobicContact CD2-CG1 4.46Å; L154-V156 HydrophobicContact CG-CG1 3.92Å; V156-N159 PolarHBondContact O-ND2 3.43Å; V156-L161 HydrophobicContact CB-CD1 4.03Å; V156-L161 HydrophobicContact CG2-CD1 3.8Å; V156-D178 CarbonylContact C-O 3.11Å; V156-D178 WeakPolarHBondContact CG2-O 3.35Å; V156-D178 PolarHBondContact N-O 3.31Å; V156-I179 HydrophobicContact CG2-CB 4.03Å; V156-I179 HydrophobicContact CG2-CG2 3.23Å; V156-N182 PolarHBondContact O-ND2 2.66Å
157	Q	96.3	Very high	97.4	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.075	18%	0.184	C	C	.	.			trans	-62.4	159.3	178.4	70.5	-78.8	12.7	0	0	113.5	Y134 C135 M155 N159 D178 R180	Y134-Q157 WeakPolarHBondContact CA-O 3.35Å; Y134-Q157 WeakPolarHBondContact CB-O 3.48Å; C135-Q157 PolarHBondContact N-O 3.4Å; M155-Q157 VanDerWaalsContact C-OE1 3.26Å; Q157-N159 PolarHBondContact O-ND2 3.04Å; Q157-D178 WeakPolarHBondContact CB-OD1 3.34Å; Q157-D178 PolarHBondContact N-O 2.93Å; Q157-R180 CarbonylContact C-O 3.4Å; Q157-R180 WeakPolarHBondContact CA-O 3.45Å; Q157-R180 HydrophobicContact CB-CB 3.91Å; Q157-R180 WeakPolarHBondContact CB-O 3.25Å
158	E	96.4	Very high	97.4	Very high	95 Å²	95	32.9 Å²	32.9	44%	0.444	18%	0.176	S	C	.	.	S	Bend	trans	56.3	57.1	-177.5	-61.1	178.8	-132.8	0	0	112.3	C135 N136 R180 H181	C135-E158 WeakPolarHBondContact CA-O 3.35Å; C135-E158 PolarHBondContact N-O 3.23Å; C135-E158 PolarHBondContact SG-OE2 3.03Å; N136-E158 PolarHBondContact N-O 3.24Å; E158-R180 PolarHBondContact N-O 2.93Å; E158-H181 WeakPolarHBondContact CA-O 3.39Å; E158-H181 HydrophobicContact CB-CB 4.43Å; E158-H181 HydrophobicContact CG-CB 3.91Å; E158-H181 PolarHBondContact N-O 3.34Å
159	N	96.6	Very high	97.4	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.07	18%	0.184	C	C	.	.	S	Bend	trans	-130.8	-159.4	174.6	-85.6	-72.8	0	0	0	109.4	L133 N136 K137 L138 V156 Q157 L161 H181 N182	L133-N159 PolarHBondContact O-ND2 2.69Å; N136-N159 VanDerWaalsContact CA-OD1 3.31Å; N136-N159 WeakPolarHBondContact CA-OD1 3.43Å; N136-N159 WeakPolarHBondContact CB-OD1 3.27Å; N136-N159 PolarHBondContact O-OD1 2.82Å; K137-N159 PolarHBondContact N-OD1 3.23Å; L138-N159 HydrophobicContact CB-CB 4.2Å; L138-N159 VanDerWaalsContact CB-OD1 3.29Å; L138-N159 WeakPolarHBondContact CB-OD1 3.38Å; L138-N159 WeakPolarHBondContact CG-OD1 3.31Å; L138-N159 PolarHBondContact N-OD1 3Å; V156-N159 PolarHBondContact O-ND2 3.43Å; Q157-N159 PolarHBondContact O-ND2 3.04Å; N159-L161 HydrophobicContact CB-CG 4.23Å; N159-H181 PolarHBondContact N-O 3.03Å; N159-N182 WeakPolarHBondContact CA-OD1 3.45Å; N159-N182 WeakPolarHBondContact CB-OD1 3.27Å; N159-N182 PolarHBondContact O-OD1 2.77Å
160	S	96.7	Very high	97.5	Very high	34 Å²	34	33.3 Å²	33.3	24%	0.238	18%	0.183	C	C	.	.			trans	-124.8	28.8	177.1	-77.3	0	0	0	0	112.1	L138 S162 N182 K183	L138-S160 CarbonylContact O-C 3.57Å; L138-S160 VanDerWaalsContact O-C 3.25Å; L138-S160 WeakPolarHBondContact O-CA 3.31Å; L138-S160 PolarHBondContact O-N 2.7Å; S160-S162 PolarHBondContact O-N 2.92Å; S160-N182 PolarHBondContact N-OD1 3.06Å; S160-K183 PolarHBondContact OG-NZ 3.42Å
161	L	97.7	Very high	97.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.			trans	-64.3	129.9	-178.6	-59.3	174.3	0	0	0	110.6	L138 V139 L141 V156 N159 L164 N182 K183	L138-L161 HydrophobicContact CB-CD2 4.15Å; L138-L161 PolarHBondContact O-N 2.97Å; V139-L161 WeakPolarHBondContact O-CA 3.46Å; L141-L161 HydrophobicContact CG-CD2 4.34Å; V156-L161 HydrophobicContact CB-CD1 4.03Å; V156-L161 HydrophobicContact CG2-CD1 3.8Å; N159-L161 HydrophobicContact CB-CG 4.23Å; L161-L164 HydrophobicContact CD1-CD2 4.21Å; L161-N182 HydrophobicContact CB-CB 4.19Å; L161-N182 VanDerWaalsContact CB-OD1 3.31Å; L161-N182 WeakPolarHBondContact CB-OD1 3.42Å; L161-N182 WeakPolarHBondContact CG-OD1 3.4Å; L161-N182 PolarHBondContact N-OD1 3.24Å; L161-K183 CarbonylContact O-C 3.14Å; L161-K183 WeakPolarHBondContact O-CA 3.32Å; L161-K183 PolarHBondContact O-N 2.79Å
162	S	96.7	Very high	97.5	Very high	69 Å²	69	35.6 Å²	35.6	48%	0.483	19%	0.194	S	C	.	.	S	Bend	trans	-103.9	-14	169.9	53.8	0	0	0	0	113.1	S160 L184	S160-S162 PolarHBondContact O-N 2.92Å; S162-L184 VanDerWaalsContact C-CD2 3.44Å; S162-L184 WeakPolarHBondContact O-CD2 3.46Å
163	D	97.2	Very high	97.5	Very high	79 Å²	79	38.2 Å²	38.2	42%	0.422	21%	0.207	S	C	.	.			trans	-159	176.7	178.7	-158.1	-2.2	0	0	0	110.7	P188	D163-P188 VanDerWaalsContact OD1-CB 3.27Å; D163-P188 WeakPolarHBondContact OD1-CB 3.32Å; D163-P188 WeakPolarHBondContact OD1-CG 3.32Å
164	L	98	Very high	97.5	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	20%	0.204	C	C	.	.			trans	-124.1	143.3	171.6	-65.3	174.6	0	0	0	110.3	L141 L161 L168 L177 I179 P188 V190 V191	L141-L164 HydrophobicContact CD1-CD2 3.78Å; L141-L164 HydrophobicContact CG-CD2 4.45Å; L161-L164 HydrophobicContact CD1-CD2 4.21Å; L164-L168 HydrophobicContact CB-CD2 4.23Å; L164-L168 HydrophobicContact CD1-CD2 3.88Å; L164-L168 HydrophobicContact CG-CD2 4.48Å; L164-L177 HydrophobicContact CD1-CD2 4.24Å; L164-I179 HydrophobicContact CD1-CD1 4.03Å; L164-I179 HydrophobicContact CD1-CG2 4.45Å; L164-P188 HydrophobicContact CB-CB 4.15Å; L164-P188 HydrophobicContact CB-CG 4.29Å; L164-P188 HydrophobicContact CD1-CB 4.48Å; L164-P188 HydrophobicContact CD1-CG 4.27Å; L164-P188 HydrophobicContact CG-CB 4.43Å; L164-P188 HydrophobicContact CG-CG 4.11Å; L164-V190 HydrophobicContact CB-CG1 3.68Å; L164-V191 HydrophobicContact CD1-CG2 3.81Å
165	P	97.7	Very high	97.5	Very high	18 Å²	18	43 Å²	43	12%	0.117	22%	0.224	C	C	.	.			trans	-68.7	140.6	-178.3	29.8	-36.3	0	0	0	111.4	L141 I145 T167 L168	L141-P165 HydrophobicContact CB-CG 3.96Å; I145-P165 HydrophobicContact CG2-CG 3.58Å; P165-T167 PolarHBondContact O-N 3.06Å; P165-T167 VanDerWaalsContact O-N 3.09Å; P165-L168 WeakPolarHBondContact O-CB 3.22Å; P165-L168 PolarHBondContact O-N 2.94Å
166	E	98.1	Very high	97.5	Very high	101 Å²	101	42.5 Å²	42.5	47%	0.472	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27.8	-178.5	-170.8	58.5	-158.6	0	0	113.4	L168 A169 V190 K193	E166-L168 PolarHBondContact O-N 3.37Å; E166-A169 WeakPolarHBondContact O-CB 3.36Å; E166-A169 PolarHBondContact O-N 2.99Å; E166-V190 WeakPolarHBondContact O-CG2 3.45Å; E166-K193 IonicContact OE1-NZ 3.98Å; E166-K193 PolarHBondContact OE1-NZ 2.69Å
167	T	98	Very high	97.6	Very high	45 Å²	45	42.5 Å²	42.5	28%	0.276	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.8	-19.1	175.9	56.5	0	0	0	0	113.4	N143 G146 P165 A169 Q170	N143-T167 VanDerWaalsContact CA-OG1 3.3Å; N143-T167 WeakPolarHBondContact CA-OG1 3.34Å; N143-T167 HydrophobicContact CB-CG2 3.98Å; N143-T167 VanDerWaalsContact O-CB 3.26Å; N143-T167 WeakPolarHBondContact O-CB 3.32Å; N143-T167 PolarHBondContact O-OG1 3.42Å; G146-T167 WeakPolarHBondContact CA-O 3.38Å; P165-T167 PolarHBondContact O-N 3.06Å; P165-T167 VanDerWaalsContact O-N 3.09Å; T167-A169 PolarHBondContact O-N 3.1Å; T167-A169 VanDerWaalsContact O-N 3.12Å; T167-Q170 WeakPolarHBondContact O-CB 3.35Å; T167-Q170 WeakPolarHBondContact O-CG 3.45Å; T167-Q170 PolarHBondContact O-N 2.92Å
168	L	98.3	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.8	176.6	-174.4	66.6	0	0	0	111.9	I145 L154 L164 P165 E166 Q170 C171 V190 L194	I145-L168 HydrophobicContact CG1-CD1 4Å; I145-L168 HydrophobicContact CG2-CB 4.3Å; I145-L168 HydrophobicContact CG2-CD1 4.1Å; L154-L168 HydrophobicContact CD2-CD1 4.07Å; L164-L168 HydrophobicContact CB-CD2 4.23Å; L164-L168 HydrophobicContact CD1-CD2 3.88Å; L164-L168 HydrophobicContact CG-CD2 4.48Å; P165-L168 WeakPolarHBondContact O-CB 3.22Å; P165-L168 PolarHBondContact O-N 2.94Å; E166-L168 PolarHBondContact O-N 3.37Å; L168-Q170 PolarHBondContact O-N 2.96Å; L168-C171 HydrophobicContact CD1-CB 4.27Å; L168-C171 VanDerWaalsContact O-CB 3.29Å; L168-C171 WeakPolarHBondContact O-CB 3.44Å; L168-C171 PolarHBondContact O-N 3.15Å; L168-V190 HydrophobicContact CB-CG1 4.5Å; L168-V190 HydrophobicContact CB-CG2 3.88Å; L168-V190 HydrophobicContact CD2-CG1 4.43Å; L168-L194 HydrophobicContact CD2-CD1 4.18Å; L168-L194 HydrophobicContact CG-CD1 4.33Å; L168-L194 WeakPolarHBondContact O-CD2 3.34Å
169	A	97.7	Very high	97.7	Very high	18 Å²	18	37.3 Å²	37.3	15%	0.149	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-54.9	-21.8	173.9	0	0	0	0	0	113.9	E166 T167 C171 V190 K193	E166-A169 WeakPolarHBondContact O-CB 3.36Å; E166-A169 PolarHBondContact O-N 2.99Å; T167-A169 PolarHBondContact O-N 3.1Å; T167-A169 VanDerWaalsContact O-N 3.12Å; A169-C171 VanDerWaalsContact C-N 3.3Å; A169-V190 HydrophobicContact CB-CG2 3.85Å; A169-V190 VanDerWaalsContact N-CG2 3.31Å; A169-K193 HydrophobicContact CB-CB 3.95Å; A169-K193 HydrophobicContact CB-CD 4.1Å
170	Q	97.9	Very high	97.8	Very high	109 Å²	109	38.7 Å²	38.7	51%	0.509	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-76.2	-15.9	176.4	-58.5	-56.1	-38.2	0	0	113.4	G146 F149 T167 L168 T172	G146-Q170 WeakPolarHBondContact O-CB 3.48Å; F149-Q170 HydrophobicContact CD1-CB 4.44Å; F149-Q170 HydrophobicContact CE1-CB 4.18Å; T167-Q170 WeakPolarHBondContact O-CB 3.35Å; T167-Q170 WeakPolarHBondContact O-CG 3.45Å; T167-Q170 PolarHBondContact O-N 2.92Å; L168-Q170 PolarHBondContact O-N 2.96Å; Q170-T172 PolarHBondContact O-N 3.09Å
171	C	97.8	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.			trans	-75.1	60	172.1	-62.7	0	0	0	0	110.2	I145 L168 A169 Q173 L174	I145-C171 PolarHBondContact O-SG 3.2Å; L168-C171 HydrophobicContact CD1-CB 4.27Å; L168-C171 VanDerWaalsContact O-CB 3.29Å; L168-C171 WeakPolarHBondContact O-CB 3.44Å; L168-C171 PolarHBondContact O-N 3.15Å; A169-C171 VanDerWaalsContact C-N 3.3Å; C171-Q173 PolarHBondContact O-N 3.34Å; C171-Q173 VanDerWaalsContact O-N 3.1Å; C171-L174 HydrophobicContact CB-CB 4.33Å; C171-L174 VanDerWaalsContact O-CB 3.25Å; C171-L174 WeakPolarHBondContact O-CB 3.21Å; C171-L174 PolarHBondContact O-N 2.96Å
172	T	96.1	Very high	97.8	Very high	75 Å²	75	41.4 Å²	41.4	46%	0.46	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.6	-171.9	58.6	0	0	0	0	113.3	Q170 L174 N196	Q170-T172 PolarHBondContact O-N 3.09Å; T172-L174 VanDerWaalsContact C-N 3.33Å; T172-N196 WeakPolarHBondContact O-CB 3.37Å; T172-N196 PolarHBondContact O-ND2 2.88Å
173	Q	97.5	Very high	97.8	Very high	95 Å²	95	42.9 Å²	42.9	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.6	175.8	-59.6	-55.1	-52.6	0	0	113.5	F149 L151 E152 C171 R175	F149-Q173 WeakPolarHBondContact O-CG 3.43Å; L151-Q173 CarbonylContact O-C 3.6Å; E152-Q173 HydrophobicContact CG-CB 4.42Å; C171-Q173 PolarHBondContact O-N 3.34Å; C171-Q173 VanDerWaalsContact O-N 3.1Å; Q173-R175 WeakPolarHBondContact O-CG 3.46Å; Q173-R175 PolarHBondContact O-N 3.12Å
174	L	98.5	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.			trans	-66.2	121.9	-174.5	-161.6	73.2	0	0	0	110.8	L151 L154 C171 T172 L177 L194 N196 L197	L151-L174 HydrophobicContact CB-CD1 4.43Å; L151-L174 HydrophobicContact CD2-CD1 3.94Å; L151-L174 HydrophobicContact CG-CD1 3.81Å; L151-L174 VanDerWaalsContact O-CA 3.27Å; L151-L174 WeakPolarHBondContact O-CA 3.07Å; L151-L174 PolarHBondContact O-N 3.08Å; L154-L174 HydrophobicContact CB-CD1 3.82Å; L154-L174 HydrophobicContact CB-CD2 4.38Å; C171-L174 HydrophobicContact CB-CB 4.33Å; C171-L174 VanDerWaalsContact O-CB 3.25Å; C171-L174 WeakPolarHBondContact O-CB 3.21Å; C171-L174 PolarHBondContact O-N 2.96Å; T172-L174 VanDerWaalsContact C-N 3.33Å; L174-L177 HydrophobicContact CD2-CB 4.13Å; L174-L177 HydrophobicContact CD2-CD1 4.32Å; L174-L194 HydrophobicContact CD2-CD1 3.9Å; L174-N196 CarbonylContact O-C 3.25Å; L174-L197 HydrophobicContact CD2-CD2 4.23Å; L174-L197 HydrophobicContact CG-CD2 4.21Å; L174-L197 PolarHBondContact O-N 3.33Å
175	R	98.5	Very high	97.7	Very high	112 Å²	112	42.1 Å²	42.1	42%	0.423	21%	0.209	S	C	.	.			trans	-108.7	-36.9	-179.7	-62.8	-172.2	-68.6	140.1	-2	111.9	E152 Q173 T198 H199	E152-R175 PolarHBondContact O-N 3.29Å; E152-R175 IonicContact OE2-CZ 2.92Å; E152-R175 IonicContact OE2-NE 3.78Å; E152-R175 PolarHBondContact OE2-NE 3.45Å; E152-R175 IonicContact OE2-NH2 3.31Å; E152-R175 PolarHBondContact OE2-NH2 2.82Å; Q173-R175 WeakPolarHBondContact O-CG 3.46Å; Q173-R175 PolarHBondContact O-N 3.12Å; R175-T198 PolarHBondContact O-N 2.93Å; R175-T198 PolarHBondContact O-OG1 2.94Å; R175-H199 PolarHBondContact O-N 3.19Å
176	V	98.7	Very high	97.7	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	-177.6	-176.4	0	0	0	0	109.4	I41 E152 I153 L154 M155 H199 F201	I41-V176 HydrophobicContact CD1-CG1 4.41Å; I41-V176 HydrophobicContact CD1-CG2 4.44Å; E152-V176 PolarHBondContact O-N 3.1Å; I153-V176 HydrophobicContact CB-CB 4.44Å; I153-V176 HydrophobicContact CG1-CB 4.16Å; I153-V176 HydrophobicContact CG1-CG2 4.22Å; I153-V176 HydrophobicContact CG2-CB 4.2Å; I153-V176 HydrophobicContact CG2-CG1 4.4Å; L154-V176 PolarHBondContact N-O 3.39Å; M155-V176 HydrophobicContact SD-CG1 4.16Å; V176-H199 WeakPolarHBondContact CA-O 3.16Å; V176-H199 HydrophobicContact CB-CB 4.42Å; V176-H199 HydrophobicContact CG1-CB 4.11Å; V176-H199 HydrophobicContact CG2-CB 4.13Å; V176-F201 HydrophobicContact CG1-CE2 4.23Å
177	L	98.6	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112	173.4	178.6	59.5	0	0	0	109.5	L154 L164 L174 I179 V191 L194 L197 H199 L200 F201	L154-L177 HydrophobicContact CB-CD1 4.06Å; L154-L177 HydrophobicContact CD2-CD1 3.87Å; L154-L177 HydrophobicContact CG-CD1 4.03Å; L164-L177 HydrophobicContact CD1-CD2 4.24Å; L174-L177 HydrophobicContact CD2-CB 4.13Å; L174-L177 HydrophobicContact CD2-CD1 4.32Å; L177-I179 HydrophobicContact CD1-CG2 3.51Å; L177-I179 HydrophobicContact CD2-CG2 4.37Å; L177-I179 HydrophobicContact CG-CG2 3.8Å; L177-V191 HydrophobicContact CD2-CG1 4.44Å; L177-V191 HydrophobicContact CD2-CG2 4.1Å; L177-L194 HydrophobicContact CD2-CD1 4.2Å; L177-L197 HydrophobicContact CB-CD2 3.78Å; L177-H199 PolarHBondContact N-O 2.77Å; L177-L200 HydrophobicContact CB-CD1 4.11Å; L177-L200 HydrophobicContact CD2-CD1 3.96Å; L177-L200 HydrophobicContact CG-CD1 4.11Å; L177-F201 PolarHBondContact O-N 3.28Å
178	D	98.5	Very high	97.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	107.9	174	-170.7	-8	0	0	0	110.4	L154 M155 V156 Q157 R180 F201	L154-D178 PolarHBondContact O-N 2.76Å; M155-D178 HydrophobicContact CE-CB 3.44Å; M155-D178 VanDerWaalsContact CE-CB 3.44Å; M155-D178 VanDerWaalsContact CE-OD2 3.22Å; M155-D178 WeakPolarHBondContact CE-OD2 3.06Å; M155-D178 HydrophobicContact SD-CB 3.6Å; V156-D178 CarbonylContact C-O 3.11Å; V156-D178 WeakPolarHBondContact CG2-O 3.35Å; V156-D178 PolarHBondContact N-O 3.31Å; Q157-D178 WeakPolarHBondContact CB-OD1 3.34Å; Q157-D178 PolarHBondContact N-O 2.93Å; D178-R180 WeakPolarHBondContact OD1-CB 3.38Å; D178-R180 WeakPolarHBondContact OD1-CG 3.4Å; D178-R180 IonicContact OD1-CZ 3.93Å; D178-R180 PolarHBondContact OD1-N 3.46Å; D178-R180 VanDerWaalsContact OD1-N 3.15Å; D178-R180 IonicContact OD1-NE 3.67Å; D178-R180 PolarHBondContact OD1-NE 3.42Å; D178-R180 IonicContact OD1-NH2 2.87Å; D178-R180 IonicContact OD2-CZ 3.92Å; D178-R180 VanDerWaalsContact OD2-CZ 3.3Å; D178-R180 IonicContact OD2-NE 3.51Å; D178-R180 PolarHBondContact OD2-NE 3.4Å; D178-R180 VanDerWaalsContact OD2-NE 3.1Å; D178-R180 IonicContact OD2-NH2 3.27Å; D178-R180 PolarHBondContact OD2-NH2 3.26Å; D178-F201 HydrophobicContact CB-CB 4.29Å; D178-F201 HydrophobicContact CB-CD2 4.02Å
179	I	97.5	Very high	97.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.209	C	C	.	.			trans	-122.8	26.3	178.6	69	-175.3	0	0	0	111.5	V156 L164 L177 N182 L184 F201 L202 N205	V156-I179 HydrophobicContact CG2-CB 4.03Å; V156-I179 HydrophobicContact CG2-CG2 3.23Å; L164-I179 HydrophobicContact CD1-CD1 4.03Å; L164-I179 HydrophobicContact CD1-CG2 4.45Å; L177-I179 HydrophobicContact CD1-CG2 3.51Å; L177-I179 HydrophobicContact CD2-CG2 4.37Å; L177-I179 HydrophobicContact CG-CG2 3.8Å; I179-N182 PolarHBondContact O-ND2 2.7Å; I179-L184 HydrophobicContact CB-CD1 4.43Å; I179-L184 HydrophobicContact CD1-CD1 3.32Å; I179-L184 HydrophobicContact CG1-CD1 3.74Å; I179-F201 CarbonylContact C-O 3.13Å; I179-F201 PolarHBondContact N-O 3.3Å; I179-L202 HydrophobicContact CD1-CD2 3.34Å; I179-L202 HydrophobicContact CG1-CD2 3.45Å; I179-L202 VanDerWaalsContact CG1-CD2 3.45Å; I179-L202 HydrophobicContact CG1-CG 4.31Å; I179-N205 PolarHBondContact O-ND2 3.22Å; I179-N205 VanDerWaalsContact O-ND2 3.12Å
180	R	97.7	Very high	97.6	Very high	41 Å²	41	42.3 Å²	42.3	16%	0.155	20%	0.203	C	C	.	.			trans	-58	158.4	176	-66.4	-179.7	-70.9	169	1.1	112.5	Q157 E158 D178 N182 F201 R203	Q157-R180 CarbonylContact C-O 3.4Å; Q157-R180 WeakPolarHBondContact CA-O 3.45Å; Q157-R180 HydrophobicContact CB-CB 3.91Å; Q157-R180 WeakPolarHBondContact CB-O 3.25Å; E158-R180 PolarHBondContact N-O 2.93Å; D178-R180 WeakPolarHBondContact OD1-CB 3.38Å; D178-R180 WeakPolarHBondContact OD1-CG 3.4Å; D178-R180 IonicContact OD1-CZ 3.93Å; D178-R180 PolarHBondContact OD1-N 3.46Å; D178-R180 VanDerWaalsContact OD1-N 3.15Å; D178-R180 IonicContact OD1-NE 3.67Å; D178-R180 PolarHBondContact OD1-NE 3.42Å; D178-R180 IonicContact OD1-NH2 2.87Å; D178-R180 IonicContact OD2-CZ 3.92Å; D178-R180 VanDerWaalsContact OD2-CZ 3.3Å; D178-R180 IonicContact OD2-NE 3.51Å; D178-R180 PolarHBondContact OD2-NE 3.4Å; D178-R180 VanDerWaalsContact OD2-NE 3.1Å; D178-R180 IonicContact OD2-NH2 3.27Å; D178-R180 PolarHBondContact OD2-NH2 3.26Å; R180-N182 PolarHBondContact O-N 3.12Å; R180-N182 PolarHBondContact O-ND2 2.97Å; R180-N182 VanDerWaalsContact O-ND2 3.15Å; R180-F201 HydrophobicContact CG-CB 3.67Å; R180-F201 PolarHBondContact N-O 2.97Å; R180-R203 CarbonylContact C-O 3.49Å; R180-R203 WeakPolarHBondContact CA-O 3.23Å; R180-R203 WeakPolarHBondContact CB-O 3.28Å; R180-R203 HydrophobicContact CG-CB 3.81Å
181	H	96.8	Very high	97.6	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.361	18%	0.179	S	C	.	.	S	Bend	trans	52.2	55.1	176.4	-64.2	-88.1	0	0	0	112.9	E158 N159 R203 F204	E158-H181 WeakPolarHBondContact CA-O 3.39Å; E158-H181 HydrophobicContact CB-CB 4.43Å; E158-H181 HydrophobicContact CG-CB 3.91Å; E158-H181 PolarHBondContact N-O 3.34Å; N159-H181 PolarHBondContact N-O 3.03Å; H181-R203 PolarHBondContact N-O 2.97Å; H181-F204 VanDerWaalsContact CA-O 3.26Å; H181-F204 WeakPolarHBondContact CA-O 3.08Å; H181-F204 AromaticContact CD2-CD2 3.88Å; H181-F204 AromaticContact CE1-CD2 2.98Å; H181-F204 WeakPolarHBondContact CE1-CD2 3.44Å; H181-F204 AromaticContact CE1-CE2 3.39Å; H181-F204 WeakPolarHBondContact CE1-CE2 3.34Å; H181-F204 AromaticContact CE1-CG 3.44Å; H181-F204 VanDerWaalsContact CE1-CG 3.44Å; H181-F204 WeakPolarHBondContact CE1-CG 2.98Å; H181-F204 PolarHBondContact N-O 3.02Å; H181-F204 AromaticContact ND1-CD2 3.7Å; H181-F204 AromaticContact ND1-CG 3.73Å; H181-F204 AromaticContact NE2-CD2 3.08Å; H181-F204 WeakPolarHBondContact NE2-CD2 3.13Å; H181-F204 AromaticContact NE2-CE2 3.54Å; H181-F204 AromaticContact NE2-CG 3.9Å
182	N	97.6	Very high	97.6	Very high	14 Å²	14	37.3 Å²	37.3	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-126.4	-161.1	173.7	-84.6	-71.3	0	0	0	109.2	V156 N159 S160 L161 I179 R180 L184 N205	V156-N182 PolarHBondContact O-ND2 2.66Å; N159-N182 WeakPolarHBondContact CA-OD1 3.45Å; N159-N182 WeakPolarHBondContact CB-OD1 3.27Å; N159-N182 PolarHBondContact O-OD1 2.77Å; S160-N182 PolarHBondContact N-OD1 3.06Å; L161-N182 HydrophobicContact CB-CB 4.19Å; L161-N182 VanDerWaalsContact CB-OD1 3.31Å; L161-N182 WeakPolarHBondContact CB-OD1 3.42Å; L161-N182 WeakPolarHBondContact CG-OD1 3.4Å; L161-N182 PolarHBondContact N-OD1 3.24Å; I179-N182 PolarHBondContact O-ND2 2.7Å; R180-N182 PolarHBondContact O-N 3.12Å; R180-N182 PolarHBondContact O-ND2 2.97Å; R180-N182 VanDerWaalsContact O-ND2 3.15Å; N182-L184 HydrophobicContact CB-CG 4.39Å; N182-N205 VanDerWaalsContact CA-OD1 3.31Å; N182-N205 WeakPolarHBondContact CA-OD1 3.26Å; N182-N205 VanDerWaalsContact CB-OD1 3.25Å; N182-N205 WeakPolarHBondContact CB-OD1 3.45Å; N182-N205 PolarHBondContact N-OD1 2.62Å; N182-N205 PolarHBondContact O-OD1 3.24Å
183	K	96.9	Very high	97.7	Very high	100 Å²	100	38 Å²	38	44%	0.435	18%	0.176	S	C	.	.			trans	-117.8	26.3	-175.9	-62	177.7	-178.2	168.7	0	112.2	S160 L161 C185 N205	S160-K183 PolarHBondContact OG-NZ 3.42Å; L161-K183 CarbonylContact O-C 3.14Å; L161-K183 WeakPolarHBondContact O-CA 3.32Å; L161-K183 PolarHBondContact O-N 2.79Å; K183-C185 PolarHBondContact O-N 3.2Å; K183-N205 PolarHBondContact N-OD1 3.34Å
184	L	97.6	Very high	97.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.156	C	C	.	.			trans	-68.7	127.5	-176.6	-58	174.3	0	0	0	110.9	S162 I179 N182 P188 L202 N205 R206 I207	S162-L184 VanDerWaalsContact C-CD2 3.44Å; S162-L184 WeakPolarHBondContact O-CD2 3.46Å; I179-L184 HydrophobicContact CB-CD1 4.43Å; I179-L184 HydrophobicContact CD1-CD1 3.32Å; I179-L184 HydrophobicContact CG1-CD1 3.74Å; N182-L184 HydrophobicContact CB-CG 4.39Å; L184-P188 HydrophobicContact CD2-CG 4Å; L184-L202 HydrophobicContact CD1-CD2 4.15Å; L184-N205 HydrophobicContact CB-CB 4.12Å; L184-N205 WeakPolarHBondContact CB-OD1 3.16Å; L184-N205 WeakPolarHBondContact CG-OD1 3.23Å; L184-N205 PolarHBondContact N-OD1 3.03Å; L184-N205 VanDerWaalsContact N-OD1 3.1Å; L184-R206 CarbonylContact O-C 3.57Å; L184-R206 VanDerWaalsContact O-CA 3.23Å; L184-R206 WeakPolarHBondContact O-CA 3.32Å; L184-R206 WeakPolarHBondContact O-CB 3.42Å; L184-R206 PolarHBondContact O-N 3.2Å; L184-I207 HydrophobicContact CB-CG1 4.26Å; L184-I207 PolarHBondContact O-N 2.97Å
185	C	96.5	Very high	97.7	Very high	70 Å²	70	38.5 Å²	38.5	47%	0.473	18%	0.178	S	C	.	.	S	Bend	trans	-93.4	-15.2	174.7	-69.3	0	0	0	0	113.2	K183 R206 I207 R208	K183-C185 PolarHBondContact O-N 3.2Å; C185-R206 WeakPolarHBondContact CA-O 3.14Å; C185-I207 VanDerWaalsContact O-CA 3.32Å; C185-I207 WeakPolarHBondContact O-CA 3.43Å; C185-R208 PolarHBondContact O-N 3.01Å
186	E	96.3	Very high	97.7	Very high	109 Å²	109	35.2 Å²	35.2	51%	0.509	17%	0.169	S	C	.	.	S	Bend	trans	-148.5	167.8	176	62.4	-173.9	-172.9	0	0	108.4	P188	E186-P188 WeakPolarHBondContact O-CD 3.48Å
187	I	97.9	Very high	97.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.168	C	C	.	.			trans	-76.5	120.3	167.7	-60.1	171.7	0	0	0	107	Q189 V191 Y192 L202 I207 V210 L225	I187-Q189 PolarHBondContact O-N 3.03Å; I187-V191 HydrophobicContact CG2-CB 3.82Å; I187-V191 HydrophobicContact CG2-CG1 3.96Å; I187-V191 HydrophobicContact CG2-CG2 4.18Å; I187-Y192 HydrophobicContact CB-CE2 4.49Å; I187-Y192 WeakPolarHBondContact CB-OH 3.01Å; I187-Y192 HydrophobicContact CG2-CE1 4.04Å; I187-Y192 HydrophobicContact CG2-CE2 4.29Å; I187-L202 HydrophobicContact CD1-CD1 3.79Å; I187-L202 HydrophobicContact CG1-CD1 3.82Å; I187-L202 HydrophobicContact CG1-CD2 4.48Å; I187-I207 HydrophobicContact CG1-CD1 4Å; I187-I207 HydrophobicContact CG1-CG2 4.14Å; I187-V210 HydrophobicContact CD1-CB 4.45Å; I187-V210 HydrophobicContact CD1-CG1 4.08Å; I187-V210 HydrophobicContact CD1-CG2 4.13Å; I187-L225 HydrophobicContact CD1-CD2 4.06Å
188	P	97.5	Very high	97.7	Very high	2 Å²	2	36 Å²	36	1%	0.013	17%	0.174	C	C	.	.			trans	-53.5	135.4	178.1	-31	39	0	0	0	112.5	D163 L164 L184 E186 V190 V191	D163-P188 VanDerWaalsContact OD1-CB 3.27Å; D163-P188 WeakPolarHBondContact OD1-CB 3.32Å; D163-P188 WeakPolarHBondContact OD1-CG 3.32Å; L164-P188 HydrophobicContact CB-CB 4.15Å; L164-P188 HydrophobicContact CB-CG 4.29Å; L164-P188 HydrophobicContact CD1-CB 4.48Å; L164-P188 HydrophobicContact CD1-CG 4.27Å; L164-P188 HydrophobicContact CG-CB 4.43Å; L164-P188 HydrophobicContact CG-CG 4.11Å; L184-P188 HydrophobicContact CD2-CG 4Å; E186-P188 WeakPolarHBondContact O-CD 3.48Å; P188-V190 HydrophobicContact CB-CG1 4.09Å; P188-V190 PolarHBondContact O-N 2.92Å; P188-V190 VanDerWaalsContact O-N 3.08Å; P188-V191 HydrophobicContact CB-CG2 4.19Å; P188-V191 VanDerWaalsContact O-CB 3.27Å; P188-V191 WeakPolarHBondContact O-CB 3.38Å; P188-V191 WeakPolarHBondContact O-CG2 3.2Å; P188-V191 PolarHBondContact O-N 3.03Å
189	Q	97.4	Very high	97.7	Very high	73 Å²	73	36.4 Å²	36.4	34%	0.341	18%	0.176	S	C	.	.	H	α-helix	trans	-56.8	-31.7	-175.3	-68.7	-64.7	-29.4	0	0	113.2	I187 V191 Y192	I187-Q189 PolarHBondContact O-N 3.03Å; Q189-V191 PolarHBondContact O-N 2.97Å; Q189-Y192 PolarHBondContact O-N 2.96Å
190	V	98	Very high	97.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-28.6	175.4	72.2	0	0	0	0	113.2	L164 E166 L168 A169 P188 Y192 K193	L164-V190 HydrophobicContact CB-CG1 3.68Å; E166-V190 WeakPolarHBondContact O-CG2 3.45Å; L168-V190 HydrophobicContact CB-CG1 4.5Å; L168-V190 HydrophobicContact CB-CG2 3.88Å; L168-V190 HydrophobicContact CD2-CG1 4.43Å; A169-V190 HydrophobicContact CB-CG2 3.85Å; A169-V190 VanDerWaalsContact N-CG2 3.31Å; P188-V190 HydrophobicContact CB-CG1 4.09Å; P188-V190 PolarHBondContact O-N 2.92Å; P188-V190 VanDerWaalsContact O-N 3.08Å; V190-Y192 VanDerWaalsContact C-N 3.31Å; V190-Y192 PolarHBondContact O-N 3.42Å; V190-K193 WeakPolarHBondContact O-CB 3.47Å; V190-K193 PolarHBondContact O-N 2.79Å
191	V	98.4	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-38.4	179.5	176.9	0	0	0	0	110.9	L164 L177 I187 P188 Q189 K193 L194 L197 L200 L217	L164-V191 HydrophobicContact CD1-CG2 3.81Å; L177-V191 HydrophobicContact CD2-CG1 4.44Å; L177-V191 HydrophobicContact CD2-CG2 4.1Å; I187-V191 HydrophobicContact CG2-CB 3.82Å; I187-V191 HydrophobicContact CG2-CG1 3.96Å; I187-V191 HydrophobicContact CG2-CG2 4.18Å; P188-V191 HydrophobicContact CB-CG2 4.19Å; P188-V191 VanDerWaalsContact O-CB 3.27Å; P188-V191 WeakPolarHBondContact O-CB 3.38Å; P188-V191 WeakPolarHBondContact O-CG2 3.2Å; P188-V191 PolarHBondContact O-N 3.03Å; Q189-V191 PolarHBondContact O-N 2.97Å; V191-K193 PolarHBondContact O-N 3.11Å; V191-L194 WeakPolarHBondContact O-CB 3.3Å; V191-L194 PolarHBondContact O-N 3.12Å; V191-L194 VanDerWaalsContact O-N 3.09Å; V191-L197 HydrophobicContact CG1-CD1 4.03Å; V191-L200 HydrophobicContact CG1-CD1 4.06Å; V191-L200 HydrophobicContact CG1-CD2 3.75Å; V191-L217 HydrophobicContact CG1-CD1 4.49Å
192	Y	98	Very high	97.9	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-19.6	179.6	-55.5	-60.1	0	0	0	113.2	I187 Q189 V190 L194 H195 D211 E213 I214	I187-Y192 HydrophobicContact CB-CE2 4.49Å; I187-Y192 WeakPolarHBondContact CB-OH 3.01Å; I187-Y192 HydrophobicContact CG2-CE1 4.04Å; I187-Y192 HydrophobicContact CG2-CE2 4.29Å; Q189-Y192 PolarHBondContact O-N 2.96Å; V190-Y192 VanDerWaalsContact C-N 3.31Å; V190-Y192 PolarHBondContact O-N 3.42Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; Y192-H195 PolarHBondContact O-CD2 3.1Å; Y192-D211 HydrophobicContact CE1-CB 4.37Å; Y192-D211 HydrophobicContact CE2-CB 3.64Å; Y192-D211 WeakPolarHBondContact OH-CB 3.45Å; Y192-D211 PolarHBondContact OH-N 3.3Å; Y192-E213 HydrophobicContact CD1-CB 4.09Å; Y192-E213 HydrophobicContact CD2-CB 3.83Å; Y192-E213 HydrophobicContact CE2-CB 4.45Å; Y192-E213 HydrophobicContact CG-CB 3.64Å; Y192-I214 HydrophobicContact CD1-CB 4.31Å; Y192-I214 HydrophobicContact CD1-CD1 4.17Å; Y192-I214 HydrophobicContact CE1-CB 3.93Å; Y192-I214 HydrophobicContact CE1-CD1 3.78Å; Y192-I214 HydrophobicContact CE1-CG1 4.47Å
193	K	98.1	Very high	97.8	Very high	91 Å²	91	31.7 Å²	31.7	40%	0.396	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.2	177	-57.1	-178.2	-179.7	177.3	0	113.1	E166 A169 V190 V191 H195	E166-K193 IonicContact OE1-NZ 3.98Å; E166-K193 PolarHBondContact OE1-NZ 2.69Å; A169-K193 HydrophobicContact CB-CB 3.95Å; A169-K193 HydrophobicContact CB-CD 4.1Å; V190-K193 WeakPolarHBondContact O-CB 3.47Å; V190-K193 PolarHBondContact O-N 2.79Å; V191-K193 PolarHBondContact O-N 3.11Å; K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-N 2.92Å
194	L	98.3	Very high	97.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.146	C	C	.	.			trans	-85.9	65.4	-179.3	-59.1	170.9	0	0	0	110.8	L168 L174 L177 V191 Y192 N196 L197 L217	L168-L194 HydrophobicContact CD2-CD1 4.18Å; L168-L194 HydrophobicContact CG-CD1 4.33Å; L168-L194 WeakPolarHBondContact O-CD2 3.34Å; L174-L194 HydrophobicContact CD2-CD1 3.9Å; L177-L194 HydrophobicContact CD2-CD1 4.2Å; V191-L194 WeakPolarHBondContact O-CB 3.3Å; V191-L194 PolarHBondContact O-N 3.12Å; V191-L194 VanDerWaalsContact O-N 3.09Å; Y192-L194 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.22Å; L194-L197 HydrophobicContact CB-CD1 3.67Å; L194-L197 HydrophobicContact CB-CG 3.74Å; L194-L197 HydrophobicContact CD1-CD1 4.07Å; L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 WeakPolarHBondContact O-CG 3.42Å; L194-L197 PolarHBondContact O-N 3.14Å; L194-L217 WeakPolarHBondContact O-CD2 3.45Å
195	H	97.8	Very high	97.8	Very high	102 Å²	102	30.4 Å²	30.4	47%	0.472	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.4	-172.1	-49.9	137.6	0	0	0	115.6	Y192 K193	Y192-H195 PolarHBondContact O-CD2 3.1Å; K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-N 2.92Å
196	N	98.3	Very high	97.8	Very high	43 Å²	43	34.2 Å²	34.2	23%	0.23	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.6	176.3	-81.4	-25.7	0	0	0	114.4	T172 L174 L194 T198 K219	T172-N196 WeakPolarHBondContact O-CB 3.37Å; T172-N196 PolarHBondContact O-ND2 2.88Å; L174-N196 CarbonylContact O-C 3.25Å; L194-N196 PolarHBondContact O-N 3.22Å; N196-T198 PolarHBondContact O-N 3.29Å; N196-K219 WeakPolarHBondContact OD1-CE 3.46Å; N196-K219 PolarHBondContact OD1-NZ 3.31Å
197	L	98.7	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.129	C	C	.	.			trans	-59.4	129.2	176.2	-76	175.8	0	0	0	111.3	L174 L177 V191 L194 L217 K219 L220	L174-L197 HydrophobicContact CD2-CD2 4.23Å; L174-L197 HydrophobicContact CG-CD2 4.21Å; L174-L197 PolarHBondContact O-N 3.33Å; L177-L197 HydrophobicContact CB-CD2 3.78Å; V191-L197 HydrophobicContact CG1-CD1 4.03Å; L194-L197 HydrophobicContact CB-CD1 3.67Å; L194-L197 HydrophobicContact CB-CG 3.74Å; L194-L197 HydrophobicContact CD1-CD1 4.07Å; L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 WeakPolarHBondContact O-CG 3.42Å; L194-L197 PolarHBondContact O-N 3.14Å; L197-L217 HydrophobicContact CD1-CD1 4.32Å; L197-K219 CarbonylContact O-C 3.49Å; L197-K219 VanDerWaalsContact O-C 3.25Å; L197-L220 HydrophobicContact CB-CD1 4.09Å; L197-L220 WeakPolarHBondContact O-CA 3.49Å; L197-L220 PolarHBondContact O-N 3.49Å
198	T	98.7	Very high	97.9	Very high	22 Å²	22	36.9 Å²	36.9	14%	0.135	16%	0.159	C	C	.	.	S	Bend	trans	-109.6	-29.1	169.7	61	0	0	0	0	111.2	R175 N196 K219 Q221 V222	R175-T198 PolarHBondContact O-N 2.93Å; R175-T198 PolarHBondContact O-OG1 2.94Å; N196-T198 PolarHBondContact O-N 3.29Å; T198-K219 HydrophobicContact CG2-CB 4.46Å; T198-Q221 WeakPolarHBondContact O-CA 3.42Å; T198-Q221 PolarHBondContact O-N 2.96Å; T198-V222 PolarHBondContact O-N 3.34Å
199	H	98.7	Very high	97.8	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.5	-179.9	-61.4	66.7	0	0	0	110.4	R175 V176 L177 F201 V222	R175-H199 PolarHBondContact O-N 3.19Å; V176-H199 WeakPolarHBondContact CA-O 3.16Å; V176-H199 HydrophobicContact CB-CB 4.42Å; V176-H199 HydrophobicContact CG1-CB 4.11Å; V176-H199 HydrophobicContact CG2-CB 4.13Å; L177-H199 PolarHBondContact N-O 2.77Å; H199-F201 HydrophobicContact CB-CE2 3.76Å; H199-F201 HydrophobicContact CB-CZ 4.05Å; H199-V222 WeakPolarHBondContact CA-O 3.13Å; H199-V222 HydrophobicContact CB-CB 4.49Å; H199-V222 VanDerWaalsContact CD2-CG2 3.42Å; H199-V222 WeakPolarHBondContact CD2-CG2 3.41Å
200	L	98.6	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.2	178	179.5	57.8	0	0	0	109.9	L177 V191 L202 L217 L220 V222 L223 S224	L177-L200 HydrophobicContact CB-CD1 4.11Å; L177-L200 HydrophobicContact CD2-CD1 3.96Å; L177-L200 HydrophobicContact CG-CD1 4.11Å; V191-L200 HydrophobicContact CG1-CD1 4.06Å; V191-L200 HydrophobicContact CG1-CD2 3.75Å; L200-L202 HydrophobicContact CD1-CD1 4.17Å; L200-L202 HydrophobicContact CD1-CD2 4.49Å; L200-L202 HydrophobicContact CD1-CG 4.11Å; L200-L202 HydrophobicContact CD2-CD1 3.77Å; L200-L202 HydrophobicContact CG-CD1 3.69Å; L200-L202 HydrophobicContact CG-CG 4.04Å; L200-L217 HydrophobicContact CD2-CD1 4.13Å; L200-L220 HydrophobicContact CB-CD1 3.85Å; L200-V222 PolarHBondContact N-O 3.23Å; L200-L223 HydrophobicContact CB-CD1 4.16Å; L200-L223 HydrophobicContact CD2-CD1 4.03Å; L200-L223 HydrophobicContact CG-CD1 4.14Å; L200-S224 PolarHBondContact O-N 2.82Å
201	F	98.5	Very high	97.6	Very high	14 Å²	14	40.7 Å²	40.7	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.6	-178.9	-53.9	-77.5	0	0	0	110.9	V37 I41 V176 L177 D178 I179 R180 H199 V222	V37-F201 HydrophobicContact CG1-CE1 3.64Å; V37-F201 HydrophobicContact CG1-CZ 3.56Å; I41-F201 HydrophobicContact CD1-CE2 4.37Å; I41-F201 HydrophobicContact CD1-CZ 4.42Å; V176-F201 HydrophobicContact CG1-CE2 4.23Å; L177-F201 PolarHBondContact O-N 3.28Å; D178-F201 HydrophobicContact CB-CB 4.29Å; D178-F201 HydrophobicContact CB-CD2 4.02Å; I179-F201 CarbonylContact C-O 3.13Å; I179-F201 PolarHBondContact N-O 3.3Å; R180-F201 HydrophobicContact CG-CB 3.67Å; R180-F201 PolarHBondContact N-O 2.97Å; H199-F201 HydrophobicContact CB-CE2 3.76Å; H199-F201 HydrophobicContact CB-CZ 4.05Å; F201-V222 HydrophobicContact CE1-CG1 3.69Å; F201-V222 HydrophobicContact CZ-CG1 4.13Å
202	L	98.3	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.			trans	-125.4	6.5	-173.6	-70.3	158.8	0	0	0	112.4	I179 L184 I187 L200 N205 I207 L223 S224 L225 N228	I179-L202 HydrophobicContact CD1-CD2 3.34Å; I179-L202 HydrophobicContact CG1-CD2 3.45Å; I179-L202 VanDerWaalsContact CG1-CD2 3.45Å; I179-L202 HydrophobicContact CG1-CG 4.31Å; L184-L202 HydrophobicContact CD1-CD2 4.15Å; I187-L202 HydrophobicContact CD1-CD1 3.79Å; I187-L202 HydrophobicContact CG1-CD1 3.82Å; I187-L202 HydrophobicContact CG1-CD2 4.48Å; L200-L202 HydrophobicContact CD1-CD1 4.17Å; L200-L202 HydrophobicContact CD1-CD2 4.49Å; L200-L202 HydrophobicContact CD1-CG 4.11Å; L200-L202 HydrophobicContact CD2-CD1 3.77Å; L200-L202 HydrophobicContact CG-CD1 3.69Å; L200-L202 HydrophobicContact CG-CG 4.04Å; L202-N205 PolarHBondContact O-ND2 3.48Å; L202-I207 HydrophobicContact CB-CD1 3.83Å; L202-I207 HydrophobicContact CD1-CD1 4.35Å; L202-I207 HydrophobicContact CD2-CD1 3.78Å; L202-I207 HydrophobicContact CG-CD1 4.22Å; L202-L223 HydrophobicContact CD1-CD1 4.37Å; L202-S224 WeakPolarHBondContact CA-O 3.39Å; L202-S224 WeakPolarHBondContact CB-O 3.23Å; L202-S224 PolarHBondContact N-O 2.97Å; L202-L225 HydrophobicContact CB-CD2 3.96Å; L202-L225 HydrophobicContact CD1-CD2 3.5Å; L202-L225 VanDerWaalsContact CD1-CD2 3.5Å; L202-L225 HydrophobicContact CG-CD2 4.37Å; L202-N228 PolarHBondContact O-ND2 3.26Å
203	R	95.9	Very high	97.5	Very high	20 Å²	20	48.2 Å²	48.2	8%	0.075	22%	0.22	C	C	.	.			trans	-50.4	145.3	178.7	-174.6	-175.9	169.1	170.2	-11.2	113.4	E30 R180 H181 S224 R226 E227	E30-R203 IonicContact OE1-NH2 2.6Å; E30-R203 PolarHBondContact OE1-NH2 2.8Å; R180-R203 CarbonylContact C-O 3.49Å; R180-R203 WeakPolarHBondContact CA-O 3.23Å; R180-R203 WeakPolarHBondContact CB-O 3.28Å; R180-R203 HydrophobicContact CG-CB 3.81Å; H181-R203 PolarHBondContact N-O 2.97Å; R203-S224 PolarHBondContact N-O 3.47Å; R203-R226 WeakPolarHBondContact CA-O 3.4Å; R203-R226 HydrophobicContact CB-CB 4.43Å; R203-R226 HydrophobicContact CG-CB 3.9Å; R203-R226 HydrophobicContact CG-CG 3.98Å; R203-R226 WeakPolarHBondContact CG-O 3.33Å; R203-E227 HydrophobicContact CG-CB 4.32Å
204	F	96.1	Very high	97.4	Very high	63 Å²	63	43.9 Å²	43.9	28%	0.276	20%	0.201	S	C	.	.	S	Bend	trans	57.4	53.5	178.1	-67.2	-70.3	0	0	0	112.7	H181 R226 E227	H181-F204 VanDerWaalsContact CA-O 3.26Å; H181-F204 WeakPolarHBondContact CA-O 3.08Å; H181-F204 AromaticContact CD2-CD2 3.88Å; H181-F204 AromaticContact CE1-CD2 2.98Å; H181-F204 WeakPolarHBondContact CE1-CD2 3.44Å; H181-F204 AromaticContact CE1-CE2 3.39Å; H181-F204 WeakPolarHBondContact CE1-CE2 3.34Å; H181-F204 AromaticContact CE1-CG 3.44Å; H181-F204 VanDerWaalsContact CE1-CG 3.44Å; H181-F204 WeakPolarHBondContact CE1-CG 2.98Å; H181-F204 PolarHBondContact N-O 3.02Å; H181-F204 AromaticContact ND1-CD2 3.7Å; H181-F204 AromaticContact ND1-CG 3.73Å; H181-F204 AromaticContact NE2-CD2 3.08Å; H181-F204 WeakPolarHBondContact NE2-CD2 3.13Å; H181-F204 AromaticContact NE2-CE2 3.54Å; H181-F204 AromaticContact NE2-CG 3.9Å; F204-R226 PolarHBondContact N-O 3.35Å; F204-R226 VanDerWaalsContact N-O 3.14Å; F204-E227 WeakPolarHBondContact CA-O 3.13Å; F204-E227 HydrophobicContact CD1-CB 3.53Å; F204-E227 HydrophobicContact CD1-CG 3.83Å; F204-E227 HydrophobicContact CE1-CB 3.83Å; F204-E227 HydrophobicContact CE1-CG 3.55Å; F204-E227 HydrophobicContact CG-CB 4Å; F204-E227 HydrophobicContact CG-CG 4.5Å; F204-E227 HydrophobicContact CZ-CG 4.06Å; F204-E227 PolarHBondContact N-O 3.32Å
205	N	97.6	Very high	97.4	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	21%	0.209	C	C	.	.	S	Bend	trans	-119.5	-157.4	167.7	-83.2	-76.8	0	0	0	108.5	I179 N182 K183 L184 L202 I207 E227 N228	I179-N205 PolarHBondContact O-ND2 3.22Å; I179-N205 VanDerWaalsContact O-ND2 3.12Å; N182-N205 VanDerWaalsContact CA-OD1 3.31Å; N182-N205 WeakPolarHBondContact CA-OD1 3.26Å; N182-N205 VanDerWaalsContact CB-OD1 3.25Å; N182-N205 WeakPolarHBondContact CB-OD1 3.45Å; N182-N205 PolarHBondContact N-OD1 2.62Å; N182-N205 PolarHBondContact O-OD1 3.24Å; K183-N205 PolarHBondContact N-OD1 3.34Å; L184-N205 HydrophobicContact CB-CB 4.12Å; L184-N205 WeakPolarHBondContact CB-OD1 3.16Å; L184-N205 WeakPolarHBondContact CG-OD1 3.23Å; L184-N205 PolarHBondContact N-OD1 3.03Å; L184-N205 VanDerWaalsContact N-OD1 3.1Å; L202-N205 PolarHBondContact O-ND2 3.48Å; N205-I207 HydrophobicContact CB-CD1 4.11Å; N205-I207 HydrophobicContact CB-CG1 4.02Å; N205-E227 PolarHBondContact N-O 3Å; N205-N228 VanDerWaalsContact CA-OD1 3.32Å; N205-N228 WeakPolarHBondContact CA-OD1 3.29Å; N205-N228 WeakPolarHBondContact CB-OD1 3.46Å; N205-N228 PolarHBondContact N-OD1 3.32Å; N205-N228 PolarHBondContact O-OD1 3.04Å
206	R	97.1	Very high	97.4	Very high	150 Å²	150	46 Å²	46	57%	0.566	21%	0.207	S	C	*	.			trans	-125.9	27.5	177.6	-58.9	177.4	-179.7	170.2	-2.9	111	L184 C185 R208 N228	L184-R206 CarbonylContact O-C 3.57Å; L184-R206 VanDerWaalsContact O-CA 3.23Å; L184-R206 WeakPolarHBondContact O-CA 3.32Å; L184-R206 WeakPolarHBondContact O-CB 3.42Å; L184-R206 PolarHBondContact O-N 3.2Å; C185-R206 WeakPolarHBondContact CA-O 3.14Å; R206-R208 PolarHBondContact O-N 3.2Å; R206-N228 PolarHBondContact N-OD1 2.76Å
207	I	98.4	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.196	C	C	.	.			trans	-63.2	125.9	-173.3	-63.3	166.6	0	0	0	109	L184 C185 I187 L202 N205 V209 N228 K229 I230	L184-I207 HydrophobicContact CB-CG1 4.26Å; L184-I207 PolarHBondContact O-N 2.97Å; C185-I207 VanDerWaalsContact O-CA 3.32Å; C185-I207 WeakPolarHBondContact O-CA 3.43Å; I187-I207 HydrophobicContact CG1-CD1 4Å; I187-I207 HydrophobicContact CG1-CG2 4.14Å; L202-I207 HydrophobicContact CB-CD1 3.83Å; L202-I207 HydrophobicContact CD1-CD1 4.35Å; L202-I207 HydrophobicContact CD2-CD1 3.78Å; L202-I207 HydrophobicContact CG-CD1 4.22Å; N205-I207 HydrophobicContact CB-CD1 4.11Å; N205-I207 HydrophobicContact CB-CG1 4.02Å; I207-V209 WeakPolarHBondContact CG2-O 3.4Å; I207-N228 HydrophobicContact CB-CB 4.19Å; I207-N228 WeakPolarHBondContact CB-OD1 3.27Å; I207-N228 WeakPolarHBondContact CG1-OD1 3.34Å; I207-N228 PolarHBondContact N-OD1 3.09Å; I207-K229 CarbonylContact O-C 3.26Å; I207-K229 VanDerWaalsContact O-CA 3.27Å; I207-K229 WeakPolarHBondContact O-CA 3.47Å; I207-K229 PolarHBondContact O-N 3.19Å; I207-I230 HydrophobicContact CB-CG1 4.46Å; I207-I230 HydrophobicContact CG2-CD1 4.14Å; I207-I230 HydrophobicContact CG2-CG1 4.02Å; I207-I230 WeakPolarHBondContact O-CG1 3.11Å; I207-I230 PolarHBondContact O-N 3.33Å
208	R	97.2	Very high	97.4	Very high	166 Å²	166	46.8 Å²	46.8	63%	0.626	21%	0.213	S	C	*	.			trans	-102.5	-30.8	179.7	-60.6	-178.1	-174.7	-161.2	-0.2	113.6	C185 R206 K229	C185-R208 PolarHBondContact O-N 3.01Å; R206-R208 PolarHBondContact O-N 3.2Å; R208-K229 WeakPolarHBondContact CA-O 3.19Å; R208-K229 HydrophobicContact CG-CB 4.09Å
209	V	95.3	Very high	97.4	Very high	91 Å²	91	50.6 Å²	50.6	55%	0.552	23%	0.228	S	C	*	.			trans	-133.3	136.3	-172.6	-179	0	0	0	0	108.9	I207	I207-V209 WeakPolarHBondContact CG2-O 3.4Å
210	V	96.9	Very high	97.4	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.048	23%	0.226	C	C	.	.			trans	-105.3	119.3	165.4	-179.6	0	0	0	0	106.5	I187 I214 L225 I230 L233 P234	I187-V210 HydrophobicContact CD1-CB 4.45Å; I187-V210 HydrophobicContact CD1-CG1 4.08Å; I187-V210 HydrophobicContact CD1-CG2 4.13Å; V210-I214 HydrophobicContact CG1-CB 4.15Å; V210-I214 HydrophobicContact CG1-CG1 4.32Å; V210-I214 HydrophobicContact CG1-CG2 4.24Å; V210-L225 HydrophobicContact CG2-CD1 3.99Å; V210-L225 HydrophobicContact CG2-CD2 4.41Å; V210-I230 HydrophobicContact CG2-CD1 3.78Å; V210-I230 HydrophobicContact CG2-CG1 4.31Å; V210-I230 HydrophobicContact CG2-CG2 4.24Å; V210-L233 HydrophobicContact CB-CD2 4.49Å; V210-L233 HydrophobicContact CG2-CD2 4.13Å; V210-P234 HydrophobicContact CG1-CG 4.16Å
211	D	95.5	Very high	97.4	Very high	57 Å²	57	53.7 Å²	53.7	31%	0.305	24%	0.243	S	C	.	.			trans	-72.9	152.9	-176	-161.2	-68.2	0	0	0	111.2	Y192 E213 I214	Y192-D211 HydrophobicContact CE1-CB 4.37Å; Y192-D211 HydrophobicContact CE2-CB 3.64Å; Y192-D211 WeakPolarHBondContact OH-CB 3.45Å; Y192-D211 PolarHBondContact OH-N 3.3Å; D211-E213 PolarHBondContact O-N 2.95Å; D211-E213 WeakPolarHBondContact OD1-CG 3.45Å; D211-E213 PolarHBondContact OD1-N 2.76Å; D211-I214 WeakPolarHBondContact O-CB 3.42Å; D211-I214 VanDerWaalsContact O-CG2 3.32Å; D211-I214 WeakPolarHBondContact O-CG2 3.47Å; D211-I214 PolarHBondContact O-N 3.37Å; D211-I214 VanDerWaalsContact O-N 3.1Å
212	E	96.1	Very high	97.4	Very high	99 Å²	99	53.4 Å²	53.4	46%	0.463	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60	-23.7	173.6	-66.5	-173	176.3	0	0	112.8	I214 K215 P234	E212-I214 PolarHBondContact O-N 3.15Å; E212-I214 VanDerWaalsContact O-N 3.12Å; E212-K215 VanDerWaalsContact O-CB 3.28Å; E212-K215 WeakPolarHBondContact O-CB 3.43Å; E212-K215 WeakPolarHBondContact O-CD 3.26Å; E212-K215 WeakPolarHBondContact O-CG 3.16Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact O-N 3.11Å; E212-P234 HydrophobicContact CB-CB 4.44Å; E212-P234 HydrophobicContact CG-CB 3.92Å
213	E	96.8	Very high	97.4	Very high	63 Å²	63	53.4 Å²	53.4	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-60.7	-14	173.8	-66.8	-156.8	165.9	0	0	114.1	Y192 D211 K215 Y216	Y192-E213 HydrophobicContact CD1-CB 4.09Å; Y192-E213 HydrophobicContact CD2-CB 3.83Å; Y192-E213 HydrophobicContact CE2-CB 4.45Å; Y192-E213 HydrophobicContact CG-CB 3.64Å; D211-E213 PolarHBondContact O-N 2.95Å; D211-E213 WeakPolarHBondContact OD1-CG 3.45Å; D211-E213 PolarHBondContact OD1-N 2.76Å; E213-K215 PolarHBondContact O-N 2.82Å; E213-Y216 HydrophobicContact CB-CD2 3.9Å; E213-Y216 HydrophobicContact CB-CE2 3.93Å; E213-Y216 HydrophobicContact CG-CD2 4.27Å; E213-Y216 HydrophobicContact CG-CE2 3.78Å; E213-Y216 VanDerWaalsContact O-CD2 3.23Å; E213-Y216 WeakPolarHBondContact O-CD2 3.37Å; E213-Y216 PolarHBondContact O-N 3.01Å
214	I	97.7	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-51.7	-27.6	169.1	-160.9	73.3	0	0	0	111.7	Y192 V210 D211 E212 Y216 L217 P234 L242	Y192-I214 HydrophobicContact CD1-CB 4.31Å; Y192-I214 HydrophobicContact CD1-CD1 4.17Å; Y192-I214 HydrophobicContact CE1-CB 3.93Å; Y192-I214 HydrophobicContact CE1-CD1 3.78Å; Y192-I214 HydrophobicContact CE1-CG1 4.47Å; V210-I214 HydrophobicContact CG1-CB 4.15Å; V210-I214 HydrophobicContact CG1-CG1 4.32Å; V210-I214 HydrophobicContact CG1-CG2 4.24Å; D211-I214 WeakPolarHBondContact O-CB 3.42Å; D211-I214 VanDerWaalsContact O-CG2 3.32Å; D211-I214 WeakPolarHBondContact O-CG2 3.47Å; D211-I214 PolarHBondContact O-N 3.37Å; D211-I214 VanDerWaalsContact O-N 3.1Å; E212-I214 PolarHBondContact O-N 3.15Å; E212-I214 VanDerWaalsContact O-N 3.12Å; I214-Y216 PolarHBondContact O-N 3.22Å; I214-L217 HydrophobicContact CD1-CD1 3.73Å; I214-L217 HydrophobicContact CD1-CG 4.46Å; I214-L217 PolarHBondContact O-N 3.39Å; I214-P234 HydrophobicContact CG2-CG 3.64Å; I214-L242 HydrophobicContact CG1-CD1 4.17Å; I214-L242 WeakPolarHBondContact O-CD2 3.37Å
215	K	97.5	Very high	97.6	Very high	42 Å²	42	50 Å²	50	18%	0.183	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-52.8	-25.1	175.2	73.9	-171.8	171.3	-165.4	0	114.5	E212 E213 L217 T218 P237 Q241	E212-K215 VanDerWaalsContact O-CB 3.28Å; E212-K215 WeakPolarHBondContact O-CB 3.43Å; E212-K215 WeakPolarHBondContact O-CD 3.26Å; E212-K215 WeakPolarHBondContact O-CG 3.16Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact O-N 3.11Å; E213-K215 PolarHBondContact O-N 2.82Å; K215-L217 VanDerWaalsContact C-N 3.32Å; K215-T218 WeakPolarHBondContact O-CG2 3.4Å; K215-P237 HydrophobicContact CD-CB 3.94Å; K215-P237 HydrophobicContact CD-CG 3.55Å; K215-Q241 HydrophobicContact CB-CB 4.05Å; K215-Q241 HydrophobicContact CB-CG 3.91Å
216	Y	98	Very high	97.6	Very high	106 Å²	106	50.9 Å²	50.9	42%	0.416	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-77.8	-18.1	-179.1	-59.3	-51	0	0	0	112.8	E213 I214 T218	E213-Y216 HydrophobicContact CB-CD2 3.9Å; E213-Y216 HydrophobicContact CB-CE2 3.93Å; E213-Y216 HydrophobicContact CG-CD2 4.27Å; E213-Y216 HydrophobicContact CG-CE2 3.78Å; E213-Y216 VanDerWaalsContact O-CD2 3.23Å; E213-Y216 WeakPolarHBondContact O-CD2 3.37Å; E213-Y216 PolarHBondContact O-N 3.01Å; I214-Y216 PolarHBondContact O-N 3.22Å; Y216-T218 PolarHBondContact O-N 3.44Å
217	L	98.1	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.			trans	-81.2	49.8	179.4	-54.3	-170.7	0	0	0	112.1	V191 L194 L197 L200 I214 K215 K219 L220 L242	V191-L217 HydrophobicContact CG1-CD1 4.49Å; L194-L217 WeakPolarHBondContact O-CD2 3.45Å; L197-L217 HydrophobicContact CD1-CD1 4.32Å; L200-L217 HydrophobicContact CD2-CD1 4.13Å; I214-L217 HydrophobicContact CD1-CD1 3.73Å; I214-L217 HydrophobicContact CD1-CG 4.46Å; I214-L217 PolarHBondContact O-N 3.39Å; K215-L217 VanDerWaalsContact C-N 3.32Å; L217-K219 PolarHBondContact O-N 3Å; L217-L220 HydrophobicContact CB-CB 4.37Å; L217-L220 WeakPolarHBondContact O-CB 3.2Å; L217-L220 PolarHBondContact O-N 2.96Å; L217-L242 HydrophobicContact CB-CD2 4.37Å; L217-L242 WeakPolarHBondContact O-CD2 3.28Å
218	T	97.7	Very high	97.7	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.2	-171.2	58	0	0	0	0	114.9	K215 Y216 N244	K215-T218 WeakPolarHBondContact O-CG2 3.4Å; Y216-T218 PolarHBondContact O-N 3.44Å; T218-N244 PolarHBondContact O-ND2 3Å
219	K	98.5	Very high	97.7	Very high	102 Å²	102	43 Å²	43	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.2	176	-63.9	-170.1	-175.5	178	0	113.8	N196 L197 T198 L217 Q221	N196-K219 WeakPolarHBondContact OD1-CE 3.46Å; N196-K219 PolarHBondContact OD1-NZ 3.31Å; L197-K219 CarbonylContact O-C 3.49Å; L197-K219 VanDerWaalsContact O-C 3.25Å; T198-K219 HydrophobicContact CG2-CB 4.46Å; L217-K219 PolarHBondContact O-N 3Å; K219-Q221 PolarHBondContact O-N 3.13Å
220	L	98.6	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.			trans	-62.4	129.7	-176.5	-154.5	70.9	0	0	0	110.8	L197 L200 L217 L223 L242 N244 L245	L197-L220 HydrophobicContact CB-CD1 4.09Å; L197-L220 WeakPolarHBondContact O-CA 3.49Å; L197-L220 PolarHBondContact O-N 3.49Å; L200-L220 HydrophobicContact CB-CD1 3.85Å; L217-L220 HydrophobicContact CB-CB 4.37Å; L217-L220 WeakPolarHBondContact O-CB 3.2Å; L217-L220 PolarHBondContact O-N 2.96Å; L220-L223 HydrophobicContact CD2-CB 3.71Å; L220-L223 HydrophobicContact CD2-CD1 4.13Å; L220-L223 HydrophobicContact CD2-CD2 4.01Å; L220-L223 HydrophobicContact CD2-CG 4.16Å; L220-L242 HydrophobicContact CD2-CD1 4.12Å; L220-N244 CarbonylContact O-C 3.16Å; L220-L245 HydrophobicContact CB-CD1 4.49Å; L220-L245 HydrophobicContact CD2-CD1 4.31Å; L220-L245 HydrophobicContact CG-CD1 4.28Å; L220-L245 WeakPolarHBondContact O-CA 3.35Å; L220-L245 PolarHBondContact O-N 3.33Å; L220-L245 VanDerWaalsContact O-N 3.15Å
221	Q	98.7	Very high	97.9	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	20%	0.196	S	C	.	.			trans	-112.1	-36.1	178.4	-68	177.1	-21	0	0	110.9	T198 K219 I246 T247	T198-Q221 WeakPolarHBondContact O-CA 3.42Å; T198-Q221 PolarHBondContact O-N 2.96Å; K219-Q221 PolarHBondContact O-N 3.13Å; Q221-I246 HydrophobicContact CB-CD1 4.29Å; Q221-I246 HydrophobicContact CB-CG1 4.47Å; Q221-I246 HydrophobicContact CG-CD1 4.35Å; Q221-I246 WeakPolarHBondContact O-CA 3.39Å; Q221-I246 PolarHBondContact O-N 3.02Å; Q221-T247 PolarHBondContact O-N 2.61Å
222	V	98.7	Very high	97.9	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.8	178.4	-178.7	0	0	0	0	109.8	V37 T198 H199 L200 F201 T247	V37-V222 HydrophobicContact CG1-CG1 4.18Å; T198-V222 PolarHBondContact O-N 3.34Å; H199-V222 WeakPolarHBondContact CA-O 3.13Å; H199-V222 HydrophobicContact CB-CB 4.49Å; H199-V222 VanDerWaalsContact CD2-CG2 3.42Å; H199-V222 WeakPolarHBondContact CD2-CG2 3.41Å; L200-V222 PolarHBondContact N-O 3.23Å; F201-V222 HydrophobicContact CE1-CG1 3.69Å; F201-V222 HydrophobicContact CZ-CG1 4.13Å; V222-T247 WeakPolarHBondContact CA-O 3.42Å; V222-T247 HydrophobicContact CG1-CG2 4.45Å
223	L	98.5	Very high	97.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.8	172.5	179.8	53	0	0	0	109.3	L200 L202 L220 L225 I239 L242 L245 T247 L248 D249	L200-L223 HydrophobicContact CB-CD1 4.16Å; L200-L223 HydrophobicContact CD2-CD1 4.03Å; L200-L223 HydrophobicContact CG-CD1 4.14Å; L202-L223 HydrophobicContact CD1-CD1 4.37Å; L220-L223 HydrophobicContact CD2-CB 3.71Å; L220-L223 HydrophobicContact CD2-CD1 4.13Å; L220-L223 HydrophobicContact CD2-CD2 4.01Å; L220-L223 HydrophobicContact CD2-CG 4.16Å; L223-L225 HydrophobicContact CD1-CD1 4.18Å; L223-L225 HydrophobicContact CD1-CD2 4.36Å; L223-L225 HydrophobicContact CD1-CG 3.95Å; L223-L225 HydrophobicContact CD2-CD1 3.92Å; L223-L225 HydrophobicContact CG-CD1 3.94Å; L223-L225 HydrophobicContact CG-CG 4.07Å; L223-I239 HydrophobicContact CD2-CD1 4.37Å; L223-L242 HydrophobicContact CD2-CD1 4.29Å; L223-L245 HydrophobicContact CB-CD1 3.94Å; L223-T247 PolarHBondContact N-O 2.73Å; L223-L248 HydrophobicContact CB-CD1 3.98Å; L223-L248 HydrophobicContact CD2-CD1 3.91Å; L223-L248 HydrophobicContact CG-CD1 3.97Å; L223-D249 PolarHBondContact O-N 2.9Å
224	S	98.2	Very high	97.8	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.6	174.2	-179.9	0	0	0	0	110.4	L200 L202 R203 D249	L200-S224 PolarHBondContact O-N 2.82Å; L202-S224 WeakPolarHBondContact CA-O 3.39Å; L202-S224 WeakPolarHBondContact CB-O 3.23Å; L202-S224 PolarHBondContact N-O 2.97Å; R203-S224 PolarHBondContact N-O 3.47Å; S224-D249 PolarHBondContact OG-OD2 3.09Å
225	L	98.3	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-114.4	11.6	178.1	-69.7	164.6	0	0	0	111.6	I187 L202 V210 L223 N228 I230 L233 D249 V250 N253	I187-L225 HydrophobicContact CD1-CD2 4.06Å; L202-L225 HydrophobicContact CB-CD2 3.96Å; L202-L225 HydrophobicContact CD1-CD2 3.5Å; L202-L225 VanDerWaalsContact CD1-CD2 3.5Å; L202-L225 HydrophobicContact CG-CD2 4.37Å; V210-L225 HydrophobicContact CG2-CD1 3.99Å; V210-L225 HydrophobicContact CG2-CD2 4.41Å; L223-L225 HydrophobicContact CD1-CD1 4.18Å; L223-L225 HydrophobicContact CD1-CD2 4.36Å; L223-L225 HydrophobicContact CD1-CG 3.95Å; L223-L225 HydrophobicContact CD2-CD1 3.92Å; L223-L225 HydrophobicContact CG-CD1 3.94Å; L223-L225 HydrophobicContact CG-CG 4.07Å; L225-N228 WeakPolarHBondContact O-CB 3.35Å; L225-N228 PolarHBondContact O-ND2 3.21Å; L225-I230 HydrophobicContact CB-CD1 3.81Å; L225-I230 HydrophobicContact CD1-CD1 4.12Å; L225-I230 HydrophobicContact CD2-CD1 3.94Å; L225-I230 HydrophobicContact CG-CD1 4.18Å; L225-L233 HydrophobicContact CD1-CD2 4.34Å; L225-D249 WeakPolarHBondContact CA-O 3.17Å; L225-D249 PolarHBondContact N-O 3.42Å; L225-V250 HydrophobicContact CB-CG1 4.03Å; L225-V250 HydrophobicContact CD1-CG1 3.92Å; L225-N253 PolarHBondContact O-ND2 3.26Å
226	R	98.1	Very high	96.3	Very high	29 Å²	29	42 Å²	42	11%	0.109	21%	0.213	C	C	.	.			trans	-53.7	150.6	-177.6	167.9	175	-176.4	140.9	1.8	113.4	E33 R203 F204 N228 D249 S251 H252	E33-R226 IonicContact OE2-NH1 2.76Å; R203-R226 WeakPolarHBondContact CA-O 3.4Å; R203-R226 HydrophobicContact CB-CB 4.43Å; R203-R226 HydrophobicContact CG-CB 3.9Å; R203-R226 HydrophobicContact CG-CG 3.98Å; R203-R226 WeakPolarHBondContact CG-O 3.33Å; F204-R226 PolarHBondContact N-O 3.35Å; F204-R226 VanDerWaalsContact N-O 3.14Å; R226-N228 PolarHBondContact O-ND2 3.26Å; R226-D249 WeakPolarHBondContact CB-OD2 3.35Å; R226-D249 PolarHBondContact N-O 2.99Å; R226-S251 CarbonylContact C-O 3.13Å; R226-S251 WeakPolarHBondContact CA-O 3.16Å; R226-S251 VanDerWaalsContact CD-OG 3.23Å; R226-S251 WeakPolarHBondContact CD-OG 3.35Å; R226-S251 WeakPolarHBondContact CG-OG 3.32Å; R226-H252 HydrophobicContact CG-CB 4.45Å; R226-H252 VanDerWaalsContact CZ-CD2 3.43Å; R226-H252 PolarHBondContact NH2-CD2 3.48Å; R226-H252 PolarHBondContact NH2-NE2 3.29Å
227	E	97.9	Very high	95.4	Very high	57 Å²	57	38.9 Å²	38.9	27%	0.266	21%	0.206	S	C	.	.	S	Bend	trans	56.4	56.7	174.8	-68.8	-79.1	-173.5	0	0	111.6	R203 F204 N205 S251 H252	R203-E227 HydrophobicContact CG-CB 4.32Å; F204-E227 WeakPolarHBondContact CA-O 3.13Å; F204-E227 HydrophobicContact CD1-CB 3.53Å; F204-E227 HydrophobicContact CD1-CG 3.83Å; F204-E227 HydrophobicContact CE1-CB 3.83Å; F204-E227 HydrophobicContact CE1-CG 3.55Å; F204-E227 HydrophobicContact CG-CB 4Å; F204-E227 HydrophobicContact CG-CG 4.5Å; F204-E227 HydrophobicContact CZ-CG 4.06Å; F204-E227 PolarHBondContact N-O 3.32Å; N205-E227 PolarHBondContact N-O 3Å; E227-S251 PolarHBondContact N-O 2.97Å; E227-S251 VanDerWaalsContact N-O 3.09Å; E227-H252 VanDerWaalsContact CA-O 3.29Å; E227-H252 WeakPolarHBondContact CA-O 3.32Å; E227-H252 HydrophobicContact CG-CB 3.83Å; E227-H252 PolarHBondContact N-O 3.35Å; E227-H252 IonicContact OE1-CE1 3.72Å; E227-H252 IonicContact OE1-CG 2.69Å; E227-H252 IonicContact OE1-ND1 3.44Å; E227-H252 PolarHBondContact OE1-ND1 3.14Å
228	N	98.4	Very high	95.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-128.9	-155.3	174.9	-85.1	-73	0	0	0	109.2	L202 N205 R206 I207 L225 R226 I230 H252 N253	L202-N228 PolarHBondContact O-ND2 3.26Å; N205-N228 VanDerWaalsContact CA-OD1 3.32Å; N205-N228 WeakPolarHBondContact CA-OD1 3.29Å; N205-N228 WeakPolarHBondContact CB-OD1 3.46Å; N205-N228 PolarHBondContact N-OD1 3.32Å; N205-N228 PolarHBondContact O-OD1 3.04Å; R206-N228 PolarHBondContact N-OD1 2.76Å; I207-N228 HydrophobicContact CB-CB 4.19Å; I207-N228 WeakPolarHBondContact CB-OD1 3.27Å; I207-N228 WeakPolarHBondContact CG1-OD1 3.34Å; I207-N228 PolarHBondContact N-OD1 3.09Å; L225-N228 WeakPolarHBondContact O-CB 3.35Å; L225-N228 PolarHBondContact O-ND2 3.21Å; R226-N228 PolarHBondContact O-ND2 3.26Å; N228-I230 HydrophobicContact CB-CD1 4.16Å; N228-I230 HydrophobicContact CB-CG1 4.17Å; N228-H252 PolarHBondContact N-O 3.27Å; N228-N253 WeakPolarHBondContact CA-OD1 3.47Å; N228-N253 WeakPolarHBondContact CB-OD1 3.14Å; N228-N253 PolarHBondContact N-OD1 2.9Å
229	K	98.1	Very high	95	Very high	93 Å²	93	36 Å²	36	40%	0.404	19%	0.189	S	C	.	.			trans	-131.6	32.5	-178.1	-58	-65.1	158.8	-147.8	0	111.6	I207 R208 H231 N253	I207-K229 CarbonylContact O-C 3.26Å; I207-K229 VanDerWaalsContact O-CA 3.27Å; I207-K229 WeakPolarHBondContact O-CA 3.47Å; I207-K229 PolarHBondContact O-N 3.19Å; R208-K229 WeakPolarHBondContact CA-O 3.19Å; R208-K229 HydrophobicContact CG-CB 4.09Å; K229-H231 PolarHBondContact O-CE1 2.98Å; K229-H231 VanDerWaalsContact O-CE1 3.26Å; K229-H231 PolarHBondContact O-ND1 3.49Å; K229-N253 PolarHBondContact N-OD1 3.08Å
230	I	98.2	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.			trans	-79.6	130.9	-173.7	-59.7	165.1	0	0	0	109.8	I207 V210 L225 N228 T232 L233 N253 H254 L255	I207-I230 HydrophobicContact CB-CG1 4.46Å; I207-I230 HydrophobicContact CG2-CD1 4.14Å; I207-I230 HydrophobicContact CG2-CG1 4.02Å; I207-I230 WeakPolarHBondContact O-CG1 3.11Å; I207-I230 PolarHBondContact O-N 3.33Å; V210-I230 HydrophobicContact CG2-CD1 3.78Å; V210-I230 HydrophobicContact CG2-CG1 4.31Å; V210-I230 HydrophobicContact CG2-CG2 4.24Å; L225-I230 HydrophobicContact CB-CD1 3.81Å; L225-I230 HydrophobicContact CD1-CD1 4.12Å; L225-I230 HydrophobicContact CD2-CD1 3.94Å; L225-I230 HydrophobicContact CG-CD1 4.18Å; N228-I230 HydrophobicContact CB-CD1 4.16Å; N228-I230 HydrophobicContact CB-CG1 4.17Å; I230-T232 WeakPolarHBondContact CG2-O 3.31Å; I230-L233 HydrophobicContact CG2-CD2 4.36Å; I230-N253 HydrophobicContact CB-CB 4.35Å; I230-N253 WeakPolarHBondContact CB-OD1 3.26Å; I230-N253 PolarHBondContact N-OD1 2.85Å; I230-H254 CarbonylContact O-C 3.58Å; I230-H254 VanDerWaalsContact O-C 3.24Å; I230-H254 WeakPolarHBondContact O-CA 3.4Å; I230-H254 PolarHBondContact O-N 2.89Å; I230-L255 HydrophobicContact CG2-CD2 3.88Å; I230-L255 PolarHBondContact O-N 3.33Å
231	H	97.3	Very high	94.8	Very high	81 Å²	81	35.4 Å²	35.4	38%	0.375	19%	0.188	S	C	.	.			trans	-102.2	-27.3	179.9	-62.6	68.6	0	0	0	113.3	K229 H254 L255 E256	K229-H231 PolarHBondContact O-CE1 2.98Å; K229-H231 VanDerWaalsContact O-CE1 3.26Å; K229-H231 PolarHBondContact O-ND1 3.49Å; H231-H254 WeakPolarHBondContact CA-O 3.36Å; H231-L255 WeakPolarHBondContact O-CA 3.36Å; H231-E256 PolarHBondContact O-N 3.45Å
232	T	95.7	Very high	94.7	Very high	88 Å²	88	31.9 Å²	31.9	54%	0.54	17%	0.172	S	C	.	.			trans	-146.3	154.3	178.8	58.1	0	0	0	0	110.7	I230	I230-T232 WeakPolarHBondContact CG2-O 3.31Å
233	L	96.3	Very high	94.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.189	C	C	.	.			trans	-101.8	144.8	164.9	-64.5	177.5	0	0	0	109.3	V210 L225 I230 A235 L248 V250 L255 L258	V210-L233 HydrophobicContact CB-CD2 4.49Å; V210-L233 HydrophobicContact CG2-CD2 4.13Å; L225-L233 HydrophobicContact CD1-CD2 4.34Å; I230-L233 HydrophobicContact CG2-CD2 4.36Å; L233-A235 PolarHBondContact O-N 3.11Å; L233-L248 HydrophobicContact CD1-CD2 4.35Å; L233-V250 HydrophobicContact CD1-CG1 4.21Å; L233-V250 HydrophobicContact CD2-CG1 4.29Å; L233-L255 HydrophobicContact CD1-CD1 4.48Å; L233-L255 HydrophobicContact CG-CD1 4.48Å; L233-L255 HydrophobicContact CG-CD2 4.14Å; L233-L258 HydrophobicContact CD1-CD1 4.49Å
234	P	94.4	Very high	94.6	Very high	13 Å²	13	37 Å²	37	8%	0.084	20%	0.201	C	C	.	.			trans	-64.5	130.8	-178.6	26.7	-34.9	0	0	0	110.5	V210 E212 I214 G238 I239	V210-P234 HydrophobicContact CG1-CG 4.16Å; E212-P234 HydrophobicContact CB-CB 4.44Å; E212-P234 HydrophobicContact CG-CB 3.92Å; I214-P234 HydrophobicContact CG2-CG 3.64Å; P234-G238 WeakPolarHBondContact O-CA 3.35Å; P234-I239 PolarHBondContact O-N 2.78Å
235	A	82.3	Confident	94.6	Very high	50 Å²	50	36.4 Å²	36.4	41%	0.413	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-66.5	-171.9	0	0	0	0	0	113.2	L233 S259 K261	L233-A235 PolarHBondContact O-N 3.11Å; A235-S259 WeakPolarHBondContact CA-OG 3.27Å; A235-K261 WeakPolarHBondContact O-CB 3.42Å; A235-K261 WeakPolarHBondContact O-CG 3.07Å
236	D	82.3	Confident	94.7	Very high	95 Å²	95	39.5 Å²	39.5	51%	0.508	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	120.5	-170.8	-163.4	-12.5	0	0	0	111.3	K261	D236-K261 HydrophobicContact CB-CG 4.48Å; D236-K261 WeakPolarHBondContact OD2-CE 3.17Å; D236-K261 IonicContact OD2-NZ 2.68Å; D236-K261 PolarHBondContact OD2-NZ 3.28Å
237	P	79.4	Confident	94.7	Very high	41 Å²	41	39.3 Å²	39.3	27%	0.266	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	cis	-75.2	-20.3	2.8	11.8	-11.6	0	0	0	116.2	K215 Q241	K215-P237 HydrophobicContact CD-CB 3.94Å; K215-P237 HydrophobicContact CD-CG 3.55Å; P237-Q241 HydrophobicContact CB-CG 4.03Å; P237-Q241 WeakPolarHBondContact O-CG 3.07Å; P237-Q241 PolarHBondContact O-N 3.35Å
238	G	91.4	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	18.2	-132	168.2	0	0	0	0	0	120.1	P234 G240 Q241	P234-G238 WeakPolarHBondContact O-CA 3.35Å; G238-G240 PolarHBondContact O-N 2.87Å; G238-Q241 PolarHBondContact O-N 3.11Å
239	I	95.6	Very high	94.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24.8	-176.2	-161.2	76.3	0	0	0	112.4	L223 P234 Q241 L242 I262	L223-I239 HydrophobicContact CD2-CD1 4.37Å; P234-I239 PolarHBondContact O-N 2.78Å; I239-Q241 PolarHBondContact O-N 3.41Å; I239-Q241 VanDerWaalsContact O-N 3.14Å; I239-L242 HydrophobicContact CD1-CD1 3.52Å; I239-L242 HydrophobicContact CD1-CG 4.33Å; I239-L242 HydrophobicContact CG1-CD1 4.38Å; I239-L242 WeakPolarHBondContact O-CB 3.5Å; I239-L242 PolarHBondContact O-N 2.78Å; I239-I262 HydrophobicContact CG1-CD1 4.48Å
240	G	94.9	Very high	94.7	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.9	-178	0	0	0	0	0	115.2	G238 H264	G238-G240 PolarHBondContact O-N 2.87Å; G240-H264 WeakPolarHBondContact O-CB 3.29Å
241	Q	97.4	Very high	94.7	Very high	86 Å²	86	32.9 Å²	32.9	40%	0.402	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-81.9	-13	174.5	-64.5	-54.8	-46.5	0	0	113.6	K215 P237 G238 I239 T243	K215-Q241 HydrophobicContact CB-CB 4.05Å; K215-Q241 HydrophobicContact CB-CG 3.91Å; P237-Q241 HydrophobicContact CB-CG 4.03Å; P237-Q241 WeakPolarHBondContact O-CG 3.07Å; P237-Q241 PolarHBondContact O-N 3.35Å; G238-Q241 PolarHBondContact O-N 3.11Å; I239-Q241 PolarHBondContact O-N 3.41Å; I239-Q241 VanDerWaalsContact O-N 3.14Å; Q241-T243 PolarHBondContact O-N 3.4Å
242	L	97.5	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.			trans	-79.5	52.2	-178.8	-53.1	-168.8	0	0	0	111.9	I214 L217 L220 L223 I239 N244 L245	I214-L242 HydrophobicContact CG1-CD1 4.17Å; I214-L242 WeakPolarHBondContact O-CD2 3.37Å; L217-L242 HydrophobicContact CB-CD2 4.37Å; L217-L242 WeakPolarHBondContact O-CD2 3.28Å; L220-L242 HydrophobicContact CD2-CD1 4.12Å; L223-L242 HydrophobicContact CD2-CD1 4.29Å; I239-L242 HydrophobicContact CD1-CD1 3.52Å; I239-L242 HydrophobicContact CD1-CG 4.33Å; I239-L242 HydrophobicContact CG1-CD1 4.38Å; I239-L242 WeakPolarHBondContact O-CB 3.5Å; I239-L242 PolarHBondContact O-N 2.78Å; L242-N244 PolarHBondContact O-N 2.97Å; L242-L245 HydrophobicContact CB-CB 4.26Å; L242-L245 HydrophobicContact CB-CD2 4.45Å; L242-L245 HydrophobicContact CD1-CD2 4.47Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.06Å
243	T	97.2	Very high	94.9	Very high	67 Å²	67	27.2 Å²	27.2	41%	0.411	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.9	-175.3	56.8	0	0	0	0	114.3	Q241	Q241-T243 PolarHBondContact O-N 3.4Å
244	N	98.4	Very high	95	Very high	48 Å²	48	29.2 Å²	29.2	26%	0.257	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.2	174.2	-73.1	-54.4	0	0	0	114.2	T218 L220 L242 I246 K267	T218-N244 PolarHBondContact O-ND2 3Å; L220-N244 CarbonylContact O-C 3.16Å; L242-N244 PolarHBondContact O-N 2.97Å; N244-I246 PolarHBondContact O-N 3.08Å; N244-K267 PolarHBondContact OD1-NZ 3.17Å
245	L	98.4	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.			trans	-67.6	126.7	-175.8	-158.6	67.9	0	0	0	110.7	L220 L223 L242 L248 K267 L268	L220-L245 HydrophobicContact CB-CD1 4.49Å; L220-L245 HydrophobicContact CD2-CD1 4.31Å; L220-L245 HydrophobicContact CG-CD1 4.28Å; L220-L245 WeakPolarHBondContact O-CA 3.35Å; L220-L245 PolarHBondContact O-N 3.33Å; L220-L245 VanDerWaalsContact O-N 3.15Å; L223-L245 HydrophobicContact CB-CD1 3.94Å; L242-L245 HydrophobicContact CB-CB 4.26Å; L242-L245 HydrophobicContact CB-CD2 4.45Å; L242-L245 HydrophobicContact CD1-CD2 4.47Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 3.06Å; L245-L248 HydrophobicContact CD2-CB 3.75Å; L245-L248 HydrophobicContact CD2-CD1 4.22Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 HydrophobicContact CD2-CG 4.29Å; L245-L248 HydrophobicContact CG-CB 4.47Å; L245-K267 CarbonylContact O-C 3.12Å; L245-L268 HydrophobicContact CB-CD1 4.12Å; L245-L268 HydrophobicContact CD2-CD1 3.9Å; L245-L268 HydrophobicContact CG-CD1 3.81Å; L245-L268 WeakPolarHBondContact O-CA 3.24Å; L245-L268 PolarHBondContact O-N 2.81Å; L245-L268 VanDerWaalsContact O-N 3.09Å
246	I	98.7	Very high	95.9	Very high	65 Å²	65	30.6 Å²	30.6	33%	0.333	16%	0.16	S	C	.	.	S	Bend	trans	-104.4	-40.3	177.3	-60.7	174.2	0	0	0	109.5	Q221 N244 C269 T270	Q221-I246 HydrophobicContact CB-CD1 4.29Å; Q221-I246 HydrophobicContact CB-CG1 4.47Å; Q221-I246 HydrophobicContact CG-CD1 4.35Å; Q221-I246 WeakPolarHBondContact O-CA 3.39Å; Q221-I246 PolarHBondContact O-N 3.02Å; N244-I246 PolarHBondContact O-N 3.08Å; I246-C269 HydrophobicContact CG2-CB 4.01Å; I246-C269 PolarHBondContact O-N 3.43Å; I246-T270 PolarHBondContact O-N 3.09Å
247	T	98.7	Very high	96.6	Very high	25 Å²	25	32.8 Å²	32.8	15%	0.153	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.1	-179.7	-56.1	0	0	0	0	110.2	Q221 V222 L223 T270	Q221-T247 PolarHBondContact O-N 2.61Å; V222-T247 WeakPolarHBondContact CA-O 3.42Å; V222-T247 HydrophobicContact CG1-CG2 4.45Å; L223-T247 PolarHBondContact N-O 2.73Å; T247-T270 WeakPolarHBondContact CA-O 3.41Å; T247-T270 HydrophobicContact CG2-CG2 4.21Å
248	L	98.5	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.2	167.7	-179.8	56.7	0	0	0	108.9	L223 L233 L245 V250 I262 L268 T270 L271 S272	L223-L248 HydrophobicContact CB-CD1 3.98Å; L223-L248 HydrophobicContact CD2-CD1 3.91Å; L223-L248 HydrophobicContact CG-CD1 3.97Å; L233-L248 HydrophobicContact CD1-CD2 4.35Å; L245-L248 HydrophobicContact CD2-CB 3.75Å; L245-L248 HydrophobicContact CD2-CD1 4.22Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 HydrophobicContact CD2-CG 4.29Å; L245-L248 HydrophobicContact CG-CB 4.47Å; L248-V250 HydrophobicContact CD1-CG1 3.74Å; L248-V250 HydrophobicContact CG-CG1 4.08Å; L248-I262 HydrophobicContact CD2-CD1 3.77Å; L248-L268 HydrophobicContact CB-CD1 3.93Å; L248-T270 PolarHBondContact N-O 3.19Å; L248-L271 HydrophobicContact CB-CD1 3.98Å; L248-L271 HydrophobicContact CD2-CD1 3.89Å; L248-L271 HydrophobicContact CG-CD1 4.08Å; L248-L271 WeakPolarHBondContact O-CA 3.39Å; L248-S272 PolarHBondContact O-N 2.96Å
249	D	98.6	Very high	97.6	Very high	14 Å²	14	32.2 Å²	32.2	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	107.4	174.1	175.2	22.4	0	0	0	110.4	L223 S224 L225 R226 S251 S272	L223-D249 PolarHBondContact O-N 2.9Å; S224-D249 PolarHBondContact OG-OD2 3.09Å; L225-D249 WeakPolarHBondContact CA-O 3.17Å; L225-D249 PolarHBondContact N-O 3.42Å; R226-D249 WeakPolarHBondContact CB-OD2 3.35Å; R226-D249 PolarHBondContact N-O 2.99Å; D249-S251 WeakPolarHBondContact OD1-CB 3.46Å; D249-S251 PolarHBondContact OD1-N 3.04Å; D249-S251 VanDerWaalsContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 2.81Å; D249-S272 WeakPolarHBondContact OD1-CB 3.42Å
250	V	98.1	Very high	97.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.185	C	C	.	.			trans	-122.2	21.2	177.6	-68.9	0	0	0	0	110.5	L225 L233 L248 N253 L255 S272 L273 N276	L225-V250 HydrophobicContact CB-CG1 4.03Å; L225-V250 HydrophobicContact CD1-CG1 3.92Å; L233-V250 HydrophobicContact CD1-CG1 4.21Å; L233-V250 HydrophobicContact CD2-CG1 4.29Å; L248-V250 HydrophobicContact CD1-CG1 3.74Å; L248-V250 HydrophobicContact CG-CG1 4.08Å; V250-N253 PolarHBondContact O-ND2 2.98Å; V250-N253 VanDerWaalsContact O-ND2 3.08Å; V250-L255 HydrophobicContact CB-CD1 3.86Å; V250-L255 HydrophobicContact CG2-CD1 3.58Å; V250-S272 CarbonylContact C-O 3.53Å; V250-S272 WeakPolarHBondContact CG2-O 3.49Å; V250-S272 PolarHBondContact N-O 2.86Å; V250-L273 HydrophobicContact CG2-CD2 3.57Å; V250-L273 HydrophobicContact CG2-CG 4.48Å; V250-N276 PolarHBondContact O-ND2 3.03Å
251	S	98.5	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.			trans	-63.9	158.2	179	61.6	0	0	0	0	112.5	R226 E227 D249 N253 S272 Q274	R226-S251 CarbonylContact C-O 3.13Å; R226-S251 WeakPolarHBondContact CA-O 3.16Å; R226-S251 VanDerWaalsContact CD-OG 3.23Å; R226-S251 WeakPolarHBondContact CD-OG 3.35Å; R226-S251 WeakPolarHBondContact CG-OG 3.32Å; E227-S251 PolarHBondContact N-O 2.97Å; E227-S251 VanDerWaalsContact N-O 3.09Å; D249-S251 WeakPolarHBondContact OD1-CB 3.46Å; D249-S251 PolarHBondContact OD1-N 3.04Å; D249-S251 VanDerWaalsContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 2.81Å; S251-N253 PolarHBondContact O-N 2.73Å; S251-N253 PolarHBondContact O-ND2 2.91Å; S251-S272 PolarHBondContact N-O 2.89Å; S251-Q274 CarbonylContact C-O 3.56Å; S251-Q274 WeakPolarHBondContact CA-O 3.46Å; S251-Q274 VanDerWaalsContact CB-CD 3.42Å; S251-Q274 VanDerWaalsContact CB-O 3.26Å; S251-Q274 WeakPolarHBondContact CB-O 3.32Å
252	H	98.5	Very high	97.6	Very high	43 Å²	43	35.6 Å²	35.6	20%	0.199	18%	0.177	C	C	.	.	S	Bend	trans	55.3	53.8	-178.8	-61.3	-104.2	0	0	0	112.5	R226 E227 N228 Q274 H275	R226-H252 HydrophobicContact CG-CB 4.45Å; R226-H252 VanDerWaalsContact CZ-CD2 3.43Å; R226-H252 PolarHBondContact NH2-CD2 3.48Å; R226-H252 PolarHBondContact NH2-NE2 3.29Å; E227-H252 VanDerWaalsContact CA-O 3.29Å; E227-H252 WeakPolarHBondContact CA-O 3.32Å; E227-H252 HydrophobicContact CG-CB 3.83Å; E227-H252 PolarHBondContact N-O 3.35Å; E227-H252 IonicContact OE1-CE1 3.72Å; E227-H252 IonicContact OE1-CG 2.69Å; E227-H252 IonicContact OE1-ND1 3.44Å; E227-H252 PolarHBondContact OE1-ND1 3.14Å; N228-H252 PolarHBondContact N-O 3.27Å; H252-Q274 PolarHBondContact N-O 3.26Å; H252-H275 WeakPolarHBondContact CA-O 3.02Å; H252-H275 HydrophobicContact CB-CB 4.44Å; H252-H275 AromaticContact CD2-CD2 3.86Å; H252-H275 AromaticContact CE1-CD2 3.29Å; H252-H275 PolarHBondContact CE1-CD2 3.48Å; H252-H275 AromaticContact CE1-CG 3.55Å; H252-H275 AromaticContact CE1-NE2 3.73Å; H252-H275 PolarHBondContact N-O 2.9Å; H252-H275 AromaticContact ND1-CG 3.89Å; H252-H275 AromaticContact NE2-CD2 3.15Å; H252-H275 PolarHBondContact NE2-CD2 2.86Å; H252-H275 AromaticContact NE2-CG 3.77Å; H252-H275 AromaticContact NE2-NE2 3.81Å
253	N	98.6	Very high	97.6	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-131.4	-163	174	-84.3	-77	0	0	0	108.8	L225 N228 K229 I230 V250 S251 L255 H275 N276	L225-N253 PolarHBondContact O-ND2 3.26Å; N228-N253 WeakPolarHBondContact CA-OD1 3.47Å; N228-N253 WeakPolarHBondContact CB-OD1 3.14Å; N228-N253 PolarHBondContact N-OD1 2.9Å; K229-N253 PolarHBondContact N-OD1 3.08Å; I230-N253 HydrophobicContact CB-CB 4.35Å; I230-N253 WeakPolarHBondContact CB-OD1 3.26Å; I230-N253 PolarHBondContact N-OD1 2.85Å; V250-N253 PolarHBondContact O-ND2 2.98Å; V250-N253 VanDerWaalsContact O-ND2 3.08Å; S251-N253 PolarHBondContact O-N 2.73Å; S251-N253 PolarHBondContact O-ND2 2.91Å; N253-L255 HydrophobicContact CB-CG 4.48Å; N253-H275 PolarHBondContact N-O 3.15Å; N253-H275 VanDerWaalsContact N-O 3.11Å; N253-H275 VanDerWaalsContact O-O 3.13Å; N253-N276 VanDerWaalsContact CA-OD1 3.31Å; N253-N276 WeakPolarHBondContact CA-OD1 3.46Å; N253-N276 WeakPolarHBondContact CB-OD1 3.45Å; N253-N276 PolarHBondContact N-OD1 3.47Å; N253-N276 PolarHBondContact O-OD1 3.08Å
254	H	98.2	Very high	97.6	Very high	54 Å²	54	36.6 Å²	36.6	25%	0.25	18%	0.177	C	C	.	.			trans	-119.8	33	179.6	-62.6	-70.5	0	0	0	110.8	I230 H231 E256 N276 E277	I230-H254 CarbonylContact O-C 3.58Å; I230-H254 VanDerWaalsContact O-C 3.24Å; I230-H254 WeakPolarHBondContact O-CA 3.4Å; I230-H254 PolarHBondContact O-N 2.89Å; H231-H254 WeakPolarHBondContact CA-O 3.36Å; H254-E256 PolarHBondContact O-N 3.19Å; H254-E256 VanDerWaalsContact O-N 3.11Å; H254-N276 PolarHBondContact N-OD1 3.21Å; H254-E277 IonicContact CE1-OE1 2.77Å; H254-E277 IonicContact CG-OE1 3.31Å; H254-E277 IonicContact ND1-OE1 2.77Å; H254-E277 PolarHBondContact ND1-OE1 3.27Å
255	L	98.3	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.			trans	-64	114.6	-177.2	-67.7	178.2	0	0	0	110.6	I230 H231 L233 V250 N253 L273 N276 E277 L278	I230-L255 HydrophobicContact CG2-CD2 3.88Å; I230-L255 PolarHBondContact O-N 3.33Å; H231-L255 WeakPolarHBondContact O-CA 3.36Å; L233-L255 HydrophobicContact CD1-CD1 4.48Å; L233-L255 HydrophobicContact CG-CD1 4.48Å; L233-L255 HydrophobicContact CG-CD2 4.14Å; V250-L255 HydrophobicContact CB-CD1 3.86Å; V250-L255 HydrophobicContact CG2-CD1 3.58Å; N253-L255 HydrophobicContact CB-CG 4.48Å; L255-L273 HydrophobicContact CD1-CD2 4.45Å; L255-N276 HydrophobicContact CB-CB 4.03Å; L255-N276 VanDerWaalsContact CB-OD1 3.29Å; L255-N276 WeakPolarHBondContact CB-OD1 3.3Å; L255-N276 WeakPolarHBondContact CG-OD1 3.37Å; L255-N276 PolarHBondContact N-OD1 3.25Å; L255-E277 CarbonylContact O-C 3.51Å; L255-E277 WeakPolarHBondContact O-CA 3.12Å; L255-E277 PolarHBondContact O-N 3.39Å; L255-L278 HydrophobicContact CB-CD2 4.05Å; L255-L278 WeakPolarHBondContact O-CD2 3.14Å; L255-L278 PolarHBondContact O-N 2.77Å
256	E	97.5	Very high	97.5	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	19%	0.191	S	C	.	.	S	Bend	trans	-82.6	-29	177	-62.9	179.1	-162.8	0	0	112	H231 H254	H231-E256 PolarHBondContact O-N 3.45Å; H254-E256 PolarHBondContact O-N 3.19Å; H254-E256 VanDerWaalsContact O-N 3.11Å
257	Q	96.6	Very high	97.5	Very high	141 Å²	141	41.3 Å²	41.3	66%	0.659	20%	0.195	S	C	*	.			trans	-144.3	148.2	-179.7	-63	-177.2	1.6	0	0	111.1	L278	Q257-L278 VanDerWaalsContact C-CD2 3.4Å
258	L	97	Very high	97.5	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	19%	0.188	C	C	.	.			trans	-98.3	131.4	167.6	-178.9	63.8	0	0	0	109.2	L233 I262 L271 L273 L278 L281 P282 I285	L233-L258 HydrophobicContact CD1-CD1 4.49Å; L258-I262 HydrophobicContact CD1-CB 4.34Å; L258-I262 HydrophobicContact CD1-CG1 4.28Å; L258-I262 HydrophobicContact CD2-CB 4.49Å; L258-I262 HydrophobicContact CD2-CG1 4.42Å; L258-I262 HydrophobicContact CD2-CG2 3.95Å; L258-I262 HydrophobicContact CG-CB 4.32Å; L258-I262 HydrophobicContact CG-CG2 4.06Å; L258-L271 HydrophobicContact CD2-CD2 4.36Å; L258-L273 HydrophobicContact CD1-CD2 3.95Å; L258-L273 HydrophobicContact CD2-CD1 3.83Å; L258-L273 HydrophobicContact CD2-CD2 4.31Å; L258-L278 HydrophobicContact CB-CD2 4.26Å; L258-L281 HydrophobicContact CD2-CD2 4.32Å; L258-P282 HydrophobicContact CB-CG 4.28Å; L258-P282 HydrophobicContact CD2-CG 4.09Å; L258-P282 HydrophobicContact CG-CG 4.11Å; L258-I285 HydrophobicContact CD2-CD1 4.37Å
259	S	94.9	Very high	97.5	Very high	18 Å²	18	41.3 Å²	41.3	13%	0.126	20%	0.196	C	C	.	.			trans	-62.5	136.4	-179.7	-179.1	0	0	0	0	112.2	A235 K261 I262	A235-S259 WeakPolarHBondContact CA-OG 3.27Å; S259-K261 PolarHBondContact O-N 3.23Å; S259-K261 VanDerWaalsContact O-N 3.09Å; S259-K261 PolarHBondContact OG-N 2.98Å; S259-I262 VanDerWaalsContact O-CB 3.3Å; S259-I262 WeakPolarHBondContact O-CB 3.35Å; S259-I262 WeakPolarHBondContact O-CG2 3.11Å; S259-I262 PolarHBondContact O-N 3.5Å
260	E	95.9	Very high	97.5	Very high	98 Å²	98	42.1 Å²	42.1	46%	0.458	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-56.9	-21.9	169.8	-70.9	-70.2	165.4	0	0	113.2	I262 P282 T284	E260-I262 PolarHBondContact O-N 3.35Å; E260-P282 HydrophobicContact CG-CB 4.01Å; E260-P282 WeakPolarHBondContact OE1-CA 3.32Å; E260-P282 WeakPolarHBondContact OE1-CB 3.38Å; E260-P282 WeakPolarHBondContact OE2-CB 3.07Å; E260-T284 WeakPolarHBondContact CA-OG1 3.33Å; E260-T284 VanDerWaalsContact O-CB 3.27Å; E260-T284 WeakPolarHBondContact O-CB 3.15Å; E260-T284 WeakPolarHBondContact O-CG2 3.43Å; E260-T284 PolarHBondContact O-OG1 2.88Å; E260-T284 VanDerWaalsContact OE2-CG2 3.25Å; E260-T284 WeakPolarHBondContact OE2-CG2 3.25Å; E260-T284 PolarHBondContact OE2-OG1 3.26Å
261	K	95.6	Very high	97.5	Very high	62 Å²	62	42.1 Å²	42.1	27%	0.27	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-75.1	-6.6	177.6	-57.7	-58.2	-171.7	158	0	113	A235 D236 S259 G263 H264	A235-K261 WeakPolarHBondContact O-CB 3.42Å; A235-K261 WeakPolarHBondContact O-CG 3.07Å; D236-K261 HydrophobicContact CB-CG 4.48Å; D236-K261 WeakPolarHBondContact OD2-CE 3.17Å; D236-K261 IonicContact OD2-NZ 2.68Å; D236-K261 PolarHBondContact OD2-NZ 3.28Å; S259-K261 PolarHBondContact O-N 3.23Å; S259-K261 VanDerWaalsContact O-N 3.09Å; S259-K261 PolarHBondContact OG-N 2.98Å; K261-G263 PolarHBondContact O-N 2.92Å; K261-H264 WeakPolarHBondContact O-CB 3.14Å; K261-H264 PolarHBondContact O-N 3.39Å; K261-H264 VanDerWaalsContact O-N 3.08Å
262	I	97.1	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.7	-33.9	174.5	-164.2	61.2	0	0	0	111.5	I239 L248 L258 S259 E260 H264 C265 L271 P282 L288	I239-I262 HydrophobicContact CG1-CD1 4.48Å; L248-I262 HydrophobicContact CD2-CD1 3.77Å; L258-I262 HydrophobicContact CD1-CB 4.34Å; L258-I262 HydrophobicContact CD1-CG1 4.28Å; L258-I262 HydrophobicContact CD2-CB 4.49Å; L258-I262 HydrophobicContact CD2-CG1 4.42Å; L258-I262 HydrophobicContact CD2-CG2 3.95Å; L258-I262 HydrophobicContact CG-CB 4.32Å; L258-I262 HydrophobicContact CG-CG2 4.06Å; S259-I262 VanDerWaalsContact O-CB 3.3Å; S259-I262 WeakPolarHBondContact O-CB 3.35Å; S259-I262 WeakPolarHBondContact O-CG2 3.11Å; S259-I262 PolarHBondContact O-N 3.5Å; E260-I262 PolarHBondContact O-N 3.35Å; I262-H264 PolarHBondContact O-N 3.07Å; I262-H264 VanDerWaalsContact O-N 3.08Å; I262-C265 VanDerWaalsContact O-CB 3.32Å; I262-C265 WeakPolarHBondContact O-CB 3.38Å; I262-C265 PolarHBondContact O-N 3.25Å; I262-L271 HydrophobicContact CG1-CD2 4.39Å; I262-P282 HydrophobicContact CG2-CG 3.98Å; I262-L288 HydrophobicContact CG1-CD1 4.49Å; I262-L288 WeakPolarHBondContact O-CD2 3.02Å
263	G	97	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.8	177.6	0	0	0	0	0	114.7	K261 C265 Q266 T284 D287	K261-G263 PolarHBondContact O-N 2.92Å; G263-C265 VanDerWaalsContact C-N 3.28Å; G263-C265 PolarHBondContact O-N 3.2Å; G263-Q266 WeakPolarHBondContact O-CG 3.41Å; G263-T284 WeakPolarHBondContact CA-O 3.21Å; G263-D287 WeakPolarHBondContact O-CB 3.29Å
264	H	97	Very high	97.6	Very high	88 Å²	88	40.9 Å²	40.9	41%	0.407	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-73.4	-19.6	172.3	-63.4	170	0	0	0	113.2	G240 K261 I262 Q266	G240-H264 WeakPolarHBondContact O-CB 3.29Å; K261-H264 WeakPolarHBondContact O-CB 3.14Å; K261-H264 PolarHBondContact O-N 3.39Å; K261-H264 VanDerWaalsContact O-N 3.08Å; I262-H264 PolarHBondContact O-N 3.07Å; I262-H264 VanDerWaalsContact O-N 3.08Å; H264-Q266 PolarHBondContact O-N 3.26Å
265	C	97.4	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.			trans	-78.5	57.9	177.7	-58.6	0	0	0	0	110.8	I262 G263 K267 L268 L288	I262-C265 VanDerWaalsContact O-CB 3.32Å; I262-C265 WeakPolarHBondContact O-CB 3.38Å; I262-C265 PolarHBondContact O-N 3.25Å; G263-C265 VanDerWaalsContact C-N 3.28Å; G263-C265 PolarHBondContact O-N 3.2Å; C265-K267 PolarHBondContact O-N 3.24Å; C265-L268 HydrophobicContact CB-CB 4.49Å; C265-L268 WeakPolarHBondContact O-CB 3.45Å; C265-L268 PolarHBondContact O-N 3Å; C265-L288 WeakPolarHBondContact O-CD2 3.3Å
266	Q	97.6	Very high	97.6	Very high	117 Å²	117	41.7 Å²	41.7	55%	0.547	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.3	-167.7	-65	178	6.1	0	0	115.1	G263 H264 L268	G263-Q266 WeakPolarHBondContact O-CG 3.41Å; H264-Q266 PolarHBondContact O-N 3.26Å; Q266-L268 VanDerWaalsContact C-N 3.32Å
267	K	98.4	Very high	97.6	Very high	95 Å²	95	40.7 Å²	40.7	41%	0.413	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1	173.4	-66.6	-170.4	-171.6	171.5	0	113.8	N244 L245 C265 C269	N244-K267 PolarHBondContact OD1-NZ 3.17Å; L245-K267 CarbonylContact O-C 3.12Å; C265-K267 PolarHBondContact O-N 3.24Å; K267-C269 PolarHBondContact O-N 3.41Å
268	L	98.5	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-65.6	117.4	-176.3	-154.3	81.2	0	0	0	110.1	L245 L248 C265 Q266 L271 L288 M290 L291	L245-L268 HydrophobicContact CB-CD1 4.12Å; L245-L268 HydrophobicContact CD2-CD1 3.9Å; L245-L268 HydrophobicContact CG-CD1 3.81Å; L245-L268 WeakPolarHBondContact O-CA 3.24Å; L245-L268 PolarHBondContact O-N 2.81Å; L245-L268 VanDerWaalsContact O-N 3.09Å; L248-L268 HydrophobicContact CB-CD1 3.93Å; C265-L268 HydrophobicContact CB-CB 4.49Å; C265-L268 WeakPolarHBondContact O-CB 3.45Å; C265-L268 PolarHBondContact O-N 3Å; Q266-L268 VanDerWaalsContact C-N 3.32Å; L268-L271 HydrophobicContact CD2-CB 3.6Å; L268-L271 HydrophobicContact CD2-CD1 4.01Å; L268-L271 HydrophobicContact CD2-CD2 3.92Å; L268-L271 HydrophobicContact CD2-CG 4.03Å; L268-L288 HydrophobicContact CB-CD2 4.26Å; L268-L288 HydrophobicContact CD2-CD1 3.87Å; L268-M290 CarbonylContact O-C 3.39Å; L268-M290 VanDerWaalsContact O-C 3.29Å; L268-L291 HydrophobicContact CD2-CD1 4.27Å; L268-L291 WeakPolarHBondContact O-CA 3.36Å; L268-L291 PolarHBondContact O-N 2.93Å
269	C	98.6	Very high	97.8	Very high	25 Å²	25	41.3 Å²	41.3	17%	0.169	19%	0.192	C	C	.	.			trans	-97.6	-29.3	173.3	-65	0	0	0	0	111.4	I246 K267 M290 E292 N293	I246-C269 HydrophobicContact CG2-CB 4.01Å; I246-C269 PolarHBondContact O-N 3.43Å; K267-C269 PolarHBondContact O-N 3.41Å; C269-M290 WeakPolarHBondContact CA-O 3.36Å; C269-E292 PolarHBondContact O-N 3.1Å; C269-N293 PolarHBondContact O-N 2.88Å; C269-N293 VanDerWaalsContact O-N 3.1Å
270	T	98.7	Very high	97.9	Very high	32 Å²	32	43.7 Å²	43.7	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.2	-178.4	-61.3	0	0	0	0	111.4	I246 T247 L248 N293	I246-T270 PolarHBondContact O-N 3.09Å; T247-T270 WeakPolarHBondContact CA-O 3.41Å; T247-T270 HydrophobicContact CG2-CG2 4.21Å; L248-T270 PolarHBondContact N-O 3.19Å; T270-N293 WeakPolarHBondContact CA-O 3.34Å; T270-N293 HydrophobicContact CG2-CB 4.13Å
271	L	98.6	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	104.3	177.6	-177.4	50.5	0	0	0	110.7	L248 L258 I262 L268 L273 I285 L288 L291 N293 I294 G295	L248-L271 HydrophobicContact CB-CD1 3.98Å; L248-L271 HydrophobicContact CD2-CD1 3.89Å; L248-L271 HydrophobicContact CG-CD1 4.08Å; L248-L271 WeakPolarHBondContact O-CA 3.39Å; L258-L271 HydrophobicContact CD2-CD2 4.36Å; I262-L271 HydrophobicContact CG1-CD2 4.39Å; L268-L271 HydrophobicContact CD2-CB 3.6Å; L268-L271 HydrophobicContact CD2-CD1 4.01Å; L268-L271 HydrophobicContact CD2-CD2 3.92Å; L268-L271 HydrophobicContact CD2-CG 4.03Å; L271-L273 HydrophobicContact CD1-CD1 4.24Å; L271-L273 HydrophobicContact CD1-CD2 4.11Å; L271-L273 HydrophobicContact CD1-CG 3.97Å; L271-L273 HydrophobicContact CD2-CD1 3.81Å; L271-L273 HydrophobicContact CD2-CG 4.45Å; L271-L273 HydrophobicContact CG-CD1 3.72Å; L271-L273 HydrophobicContact CG-CD2 4.49Å; L271-L273 HydrophobicContact CG-CG 3.87Å; L271-I285 HydrophobicContact CD2-CD1 3.77Å; L271-L288 HydrophobicContact CD2-CD1 4.03Å; L271-L291 HydrophobicContact CB-CD1 3.83Å; L271-N293 PolarHBondContact N-O 3.42Å; L271-I294 HydrophobicContact CB-CG1 4.47Å; L271-I294 CarbonylContact O-C 3.33Å; L271-I294 WeakPolarHBondContact O-CA 3.45Å; L271-G295 PolarHBondContact O-N 2.77Å
272	S	98.6	Very high	98.1	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.8	-179.9	-57.4	0	0	0	0	110.4	L248 D249 V250 S251 Q274	L248-S272 PolarHBondContact O-N 2.96Å; D249-S272 WeakPolarHBondContact OD1-CB 3.42Å; V250-S272 CarbonylContact C-O 3.53Å; V250-S272 WeakPolarHBondContact CG2-O 3.49Å; V250-S272 PolarHBondContact N-O 2.86Å; S251-S272 PolarHBondContact N-O 2.89Å; S272-Q274 VanDerWaalsContact CA-OE1 3.29Å; S272-Q274 VanDerWaalsContact CB-OE1 3.29Å
273	L	98.7	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-118.7	4.2	-178.5	-61.8	158.1	0	0	0	112.5	V250 L255 L258 L271 N276 L278 L281 G295 L296 N299	V250-L273 HydrophobicContact CG2-CD2 3.57Å; V250-L273 HydrophobicContact CG2-CG 4.48Å; L255-L273 HydrophobicContact CD1-CD2 4.45Å; L258-L273 HydrophobicContact CD1-CD2 3.95Å; L258-L273 HydrophobicContact CD2-CD1 3.83Å; L258-L273 HydrophobicContact CD2-CD2 4.31Å; L271-L273 HydrophobicContact CD1-CD1 4.24Å; L271-L273 HydrophobicContact CD1-CD2 4.11Å; L271-L273 HydrophobicContact CD1-CG 3.97Å; L271-L273 HydrophobicContact CD2-CD1 3.81Å; L271-L273 HydrophobicContact CD2-CG 4.45Å; L271-L273 HydrophobicContact CG-CD1 3.72Å; L271-L273 HydrophobicContact CG-CD2 4.49Å; L271-L273 HydrophobicContact CG-CG 3.87Å; L273-N276 PolarHBondContact O-ND2 2.92Å; L273-L278 HydrophobicContact CB-CD1 3.86Å; L273-L278 HydrophobicContact CD1-CD1 4.29Å; L273-L278 HydrophobicContact CD2-CD1 4.16Å; L273-L278 HydrophobicContact CG-CD1 4.34Å; L273-L281 HydrophobicContact CD1-CD2 4.19Å; L273-G295 CarbonylContact C-O 3.4Å; L273-G295 VanDerWaalsContact C-O 3.29Å; L273-G295 VanDerWaalsContact CA-O 3.27Å; L273-G295 WeakPolarHBondContact CA-O 3.37Å; L273-G295 VanDerWaalsContact CB-O 3.25Å; L273-G295 WeakPolarHBondContact CB-O 3.38Å; L273-G295 PolarHBondContact N-O 3.49Å; L273-L296 HydrophobicContact CB-CD2 4.45Å; L273-L296 HydrophobicContact CD1-CD2 3.97Å; L273-N299 PolarHBondContact O-ND2 3.21Å
274	Q	98.5	Very high	98.2	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.047	22%	0.215	C	C	.	.			trans	-63.5	152.9	-175.8	64.9	-84.7	21.1	0	0	113.3	S251 H252 S272 N276 G295 K297	S251-Q274 CarbonylContact C-O 3.56Å; S251-Q274 WeakPolarHBondContact CA-O 3.46Å; S251-Q274 VanDerWaalsContact CB-CD 3.42Å; S251-Q274 VanDerWaalsContact CB-O 3.26Å; S251-Q274 WeakPolarHBondContact CB-O 3.32Å; H252-Q274 PolarHBondContact N-O 3.26Å; S272-Q274 VanDerWaalsContact CA-OE1 3.29Å; S272-Q274 VanDerWaalsContact CB-OE1 3.29Å; Q274-N276 PolarHBondContact O-ND2 2.81Å; Q274-G295 PolarHBondContact N-O 2.83Å; Q274-G295 VanDerWaalsContact N-O 3.08Å; Q274-K297 CarbonylContact C-O 3.54Å; Q274-K297 WeakPolarHBondContact CA-O 3.2Å; Q274-K297 HydrophobicContact CB-CB 4.45Å; Q274-K297 HydrophobicContact CB-CD 4.36Å; Q274-K297 HydrophobicContact CB-CG 3.38Å; Q274-K297 VanDerWaalsContact CB-O 3.26Å; Q274-K297 WeakPolarHBondContact CB-O 3.33Å; Q274-K297 HydrophobicContact CG-CG 4.12Å
275	H	98.6	Very high	98.3	Very high	63 Å²	63	39.4 Å²	39.4	29%	0.292	20%	0.196	S	C	.	.	S	Bend	trans	55.8	57.2	-176.9	-59.2	-86.4	0	0	0	111.9	H252 N253 K297 Y298	H252-H275 WeakPolarHBondContact CA-O 3.02Å; H252-H275 HydrophobicContact CB-CB 4.44Å; H252-H275 AromaticContact CD2-CD2 3.86Å; H252-H275 AromaticContact CE1-CD2 3.29Å; H252-H275 PolarHBondContact CE1-CD2 3.48Å; H252-H275 AromaticContact CE1-CG 3.55Å; H252-H275 AromaticContact CE1-NE2 3.73Å; H252-H275 PolarHBondContact N-O 2.9Å; H252-H275 AromaticContact ND1-CG 3.89Å; H252-H275 AromaticContact NE2-CD2 3.15Å; H252-H275 PolarHBondContact NE2-CD2 2.86Å; H252-H275 AromaticContact NE2-CG 3.77Å; H252-H275 AromaticContact NE2-NE2 3.81Å; N253-H275 PolarHBondContact N-O 3.15Å; N253-H275 VanDerWaalsContact N-O 3.11Å; N253-H275 VanDerWaalsContact O-O 3.13Å; H275-K297 PolarHBondContact N-O 2.98Å; H275-Y298 WeakPolarHBondContact CA-O 3.41Å; H275-Y298 AromaticContact CE1-CD2 3.11Å; H275-Y298 WeakPolarHBondContact CE1-CD2 3.5Å; H275-Y298 AromaticContact CE1-CE2 3.77Å; H275-Y298 AromaticContact CE1-CG 3.69Å; H275-Y298 PolarHBondContact N-O 2.71Å; H275-Y298 AromaticContact ND1-CD2 3.78Å; H275-Y298 AromaticContact ND1-CG 3.96Å; H275-Y298 AromaticContact NE2-CD2 3.35Å; H275-Y298 VanDerWaalsContact NE2-CD2 3.35Å; H275-Y298 WeakPolarHBondContact NE2-CD2 3.46Å; H275-Y298 AromaticContact NE2-CE2 3.95Å
276	N	98.7	Very high	98.3	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-131	-168.4	171.1	-82.5	-75	0	0	0	108.7	V250 N253 H254 L255 L273 Q274 L278 Y298 N299	V250-N276 PolarHBondContact O-ND2 3.03Å; N253-N276 VanDerWaalsContact CA-OD1 3.31Å; N253-N276 WeakPolarHBondContact CA-OD1 3.46Å; N253-N276 WeakPolarHBondContact CB-OD1 3.45Å; N253-N276 PolarHBondContact N-OD1 3.47Å; N253-N276 PolarHBondContact O-OD1 3.08Å; H254-N276 PolarHBondContact N-OD1 3.21Å; L255-N276 HydrophobicContact CB-CB 4.03Å; L255-N276 VanDerWaalsContact CB-OD1 3.29Å; L255-N276 WeakPolarHBondContact CB-OD1 3.3Å; L255-N276 WeakPolarHBondContact CG-OD1 3.37Å; L255-N276 PolarHBondContact N-OD1 3.25Å; L273-N276 PolarHBondContact O-ND2 2.92Å; Q274-N276 PolarHBondContact O-ND2 2.81Å; N276-L278 HydrophobicContact CB-CG 4.23Å; N276-Y298 PolarHBondContact N-O 3.08Å; N276-N299 WeakPolarHBondContact CA-OD1 3.16Å; N276-N299 WeakPolarHBondContact CB-OD1 3.37Å; N276-N299 PolarHBondContact N-OD1 3.08Å; N276-N299 PolarHBondContact O-OD1 3.45Å
277	E	98.5	Very high	98.4	Very high	73 Å²	73	37.1 Å²	37.1	34%	0.341	19%	0.188	S	C	.	.			trans	-115.9	26.2	-176	-60.1	-178.7	-155.7	0	0	111.2	H254 L255 R279 N299	H254-E277 IonicContact CE1-OE1 2.77Å; H254-E277 IonicContact CG-OE1 3.31Å; H254-E277 IonicContact ND1-OE1 2.77Å; H254-E277 PolarHBondContact ND1-OE1 3.27Å; L255-E277 CarbonylContact O-C 3.51Å; L255-E277 WeakPolarHBondContact O-CA 3.12Å; L255-E277 PolarHBondContact O-N 3.39Å; E277-R279 PolarHBondContact O-N 3.18Å; E277-N299 PolarHBondContact N-OD1 3.23Å
278	L	98.6	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.			trans	-66.1	126.3	-173.7	-63.3	173	0	0	0	111	L255 Q257 L258 L273 N276 L281 N299 H300 L301	L255-L278 HydrophobicContact CB-CD2 4.05Å; L255-L278 WeakPolarHBondContact O-CD2 3.14Å; L255-L278 PolarHBondContact O-N 2.77Å; Q257-L278 VanDerWaalsContact C-CD2 3.4Å; L258-L278 HydrophobicContact CB-CD2 4.26Å; L273-L278 HydrophobicContact CB-CD1 3.86Å; L273-L278 HydrophobicContact CD1-CD1 4.29Å; L273-L278 HydrophobicContact CD2-CD1 4.16Å; L273-L278 HydrophobicContact CG-CD1 4.34Å; N276-L278 HydrophobicContact CB-CG 4.23Å; L278-L281 HydrophobicContact CD1-CD2 4.22Å; L278-N299 HydrophobicContact CB-CB 4.25Å; L278-N299 VanDerWaalsContact CB-OD1 3.29Å; L278-N299 WeakPolarHBondContact CB-OD1 3.27Å; L278-N299 WeakPolarHBondContact CG-OD1 3.4Å; L278-N299 PolarHBondContact N-OD1 3.02Å; L278-N299 VanDerWaalsContact N-OD1 3.09Å; L278-H300 CarbonylContact O-C 3.17Å; L278-H300 VanDerWaalsContact O-CA 3.23Å; L278-H300 WeakPolarHBondContact O-CA 3.14Å; L278-H300 PolarHBondContact O-N 2.91Å; L278-L301 HydrophobicContact CB-CD2 4.04Å; L278-L301 PolarHBondContact O-N 3Å
279	R	98.2	Very high	98.3	Very high	165 Å²	165	39 Å²	39	62%	0.623	20%	0.196	S	C	*	.	S	Bend	trans	-92	-25.6	175.2	-63	-173.9	-174.6	150.7	6.3	114.1	E277 H300 L301 E302	E277-R279 PolarHBondContact O-N 3.18Å; R279-H300 HydrophobicContact CG-CB 4.26Å; R279-L301 WeakPolarHBondContact O-CA 3.35Å; R279-E302 PolarHBondContact O-N 3.28Å
280	S	97.9	Very high	98.3	Very high	67 Å²	67	42.2 Å²	42.2	47%	0.469	21%	0.21	S	C	.	.			trans	-151.7	164.5	176.9	62.4	0	0	0	0	110.6
281	L	98.4	Very high	98.3	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	20%	0.2	C	C	.	.			trans	-106.6	144.3	166.9	-61.1	175.8	0	0	0	109.8	L258 L273 L278 L296 L301 L304 P305	L258-L281 HydrophobicContact CD2-CD2 4.32Å; L273-L281 HydrophobicContact CD1-CD2 4.19Å; L278-L281 HydrophobicContact CD1-CD2 4.22Å; L281-L296 HydrophobicContact CD1-CD1 3.82Å; L281-L296 HydrophobicContact CD1-CD2 3.71Å; L281-L296 HydrophobicContact CD1-CG 4.44Å; L281-L296 HydrophobicContact CD2-CD2 3.98Å; L281-L296 HydrophobicContact CG-CD2 4.39Å; L281-L301 HydrophobicContact CD2-CD2 4.3Å; L281-L301 HydrophobicContact CG-CD2 4.03Å; L281-L304 HydrophobicContact CD1-CD2 4.18Å; L281-P305 HydrophobicContact CB-CG 4Å
282	P	97.6	Very high	98.3	Very high	7 Å²	7	44.5 Å²	44.5	5%	0.045	22%	0.218	C	C	.	.			trans	-66.4	149.4	176.1	27.9	-35.9	0	0	0	112.1	L258 E260 I262 T284 I285	L258-P282 HydrophobicContact CB-CG 4.28Å; L258-P282 HydrophobicContact CD2-CG 4.09Å; L258-P282 HydrophobicContact CG-CG 4.11Å; E260-P282 HydrophobicContact CG-CB 4.01Å; E260-P282 WeakPolarHBondContact OE1-CA 3.32Å; E260-P282 WeakPolarHBondContact OE1-CB 3.38Å; E260-P282 WeakPolarHBondContact OE2-CB 3.07Å; I262-P282 HydrophobicContact CG2-CG 3.98Å; P282-T284 WeakPolarHBondContact CB-OG1 3.19Å; P282-T284 PolarHBondContact O-N 3.36Å; P282-I285 WeakPolarHBondContact O-CB 3.16Å; P282-I285 VanDerWaalsContact O-CG2 3.28Å; P282-I285 WeakPolarHBondContact O-CG2 3.38Å; P282-I285 PolarHBondContact O-N 2.93Å; P282-I285 VanDerWaalsContact O-N 3.09Å
283	N	98.2	Very high	98.3	Very high	110 Å²	110	47 Å²	47	59%	0.588	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-65	-25.3	178.7	-81	-33.9	0	0	0	112.5	I285 G286 P305 S307	N283-I285 PolarHBondContact O-N 3.33Å; N283-I285 VanDerWaalsContact O-N 3.13Å; N283-G286 PolarHBondContact O-N 3.09Å; N283-P305 VanDerWaalsContact OD1-CB 3.3Å; N283-P305 WeakPolarHBondContact OD1-CB 3.41Å; N283-S307 WeakPolarHBondContact CA-OG 3.39Å; N283-S307 WeakPolarHBondContact O-CB 3.29Å; N283-S307 PolarHBondContact O-OG 3.24Å
284	T	97.7	Very high	98.2	Very high	32 Å²	32	47.6 Å²	47.6	20%	0.196	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64	-8.7	173.9	47.9	0	0	0	0	114.1	E260 G263 P282 G286 D287	E260-T284 WeakPolarHBondContact CA-OG1 3.33Å; E260-T284 VanDerWaalsContact O-CB 3.27Å; E260-T284 WeakPolarHBondContact O-CB 3.15Å; E260-T284 WeakPolarHBondContact O-CG2 3.43Å; E260-T284 PolarHBondContact O-OG1 2.88Å; E260-T284 VanDerWaalsContact OE2-CG2 3.25Å; E260-T284 WeakPolarHBondContact OE2-CG2 3.25Å; E260-T284 PolarHBondContact OE2-OG1 3.26Å; G263-T284 WeakPolarHBondContact CA-O 3.21Å; P282-T284 WeakPolarHBondContact CB-OG1 3.19Å; P282-T284 PolarHBondContact O-N 3.36Å; T284-G286 PolarHBondContact O-N 2.81Å; T284-D287 WeakPolarHBondContact O-CB 3.26Å; T284-D287 PolarHBondContact O-N 3.32Å
285	I	98.3	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.7	-32.9	171.1	-161.8	74.5	0	0	0	112	L258 L271 P282 N283 D287 L288 I294 P305 L308 C311	L258-I285 HydrophobicContact CD2-CD1 4.37Å; L271-I285 HydrophobicContact CD2-CD1 3.77Å; P282-I285 WeakPolarHBondContact O-CB 3.16Å; P282-I285 VanDerWaalsContact O-CG2 3.28Å; P282-I285 WeakPolarHBondContact O-CG2 3.38Å; P282-I285 PolarHBondContact O-N 2.93Å; P282-I285 VanDerWaalsContact O-N 3.09Å; N283-I285 PolarHBondContact O-N 3.33Å; N283-I285 VanDerWaalsContact O-N 3.13Å; I285-D287 PolarHBondContact O-N 3.21Å; I285-L288 HydrophobicContact CD1-CD1 3.65Å; I285-L288 HydrophobicContact CG1-CD1 4.42Å; I285-L288 WeakPolarHBondContact O-CB 3.27Å; I285-L288 WeakPolarHBondContact O-CG 3.38Å; I285-L288 PolarHBondContact O-N 3.41Å; I285-L288 VanDerWaalsContact O-N 3.11Å; I285-I294 HydrophobicContact CD1-CD1 4.11Å; I285-I294 HydrophobicContact CG1-CD1 4.23Å; I285-P305 HydrophobicContact CG2-CG 3.61Å; I285-L308 HydrophobicContact CG1-CD1 4.23Å; I285-L308 HydrophobicContact CG2-CB 4.39Å; I285-L308 HydrophobicContact CG2-CD1 4.36Å; I285-C311 PolarHBondContact O-SG 3.14Å
286	G	98.1	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13.6	177.9	0	0	0	0	0	114.8	N283 T284 L288 S307 L310	N283-G286 PolarHBondContact O-N 3.09Å; T284-G286 PolarHBondContact O-N 2.81Å; G286-L288 VanDerWaalsContact C-N 3.27Å; G286-S307 WeakPolarHBondContact CA-O 3.2Å; G286-L310 WeakPolarHBondContact O-CB 3.44Å
287	D	98.4	Very high	98.2	Very high	69 Å²	69	47.5 Å²	47.5	37%	0.369	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-78.1	-14.8	175.1	-64.4	-32.5	0	0	0	112.4	G263 T284 I285 K289	G263-D287 WeakPolarHBondContact O-CB 3.29Å; T284-D287 WeakPolarHBondContact O-CB 3.26Å; T284-D287 PolarHBondContact O-N 3.32Å; I285-D287 PolarHBondContact O-N 3.21Å; D287-K289 PolarHBondContact O-N 3.07Å
288	L	98.4	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.			trans	-78.4	66.8	178.2	-53.8	-176.4	0	0	0	111.1	I262 C265 L268 L271 I285 G286 M290 L291	I262-L288 HydrophobicContact CG1-CD1 4.49Å; I262-L288 WeakPolarHBondContact O-CD2 3.02Å; C265-L288 WeakPolarHBondContact O-CD2 3.3Å; L268-L288 HydrophobicContact CB-CD2 4.26Å; L268-L288 HydrophobicContact CD2-CD1 3.87Å; L271-L288 HydrophobicContact CD2-CD1 4.03Å; I285-L288 HydrophobicContact CD1-CD1 3.65Å; I285-L288 HydrophobicContact CG1-CD1 4.42Å; I285-L288 WeakPolarHBondContact O-CB 3.27Å; I285-L288 WeakPolarHBondContact O-CG 3.38Å; I285-L288 PolarHBondContact O-N 3.41Å; I285-L288 VanDerWaalsContact O-N 3.11Å; G286-L288 VanDerWaalsContact C-N 3.27Å; L288-M290 PolarHBondContact O-N 3.17Å; L288-L291 HydrophobicContact CB-CB 3.99Å; L288-L291 HydrophobicContact CB-CD2 4.29Å; L288-L291 HydrophobicContact CD1-CD2 4.23Å; L288-L291 WeakPolarHBondContact O-CB 3.29Å; L288-L291 PolarHBondContact O-N 2.94Å; L288-L291 VanDerWaalsContact O-N 3.07Å
289	K	97.6	Very high	98.2	Very high	135 Å²	135	48.4 Å²	48.4	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.7	-174	-65.2	176.6	-176.4	174.9	0	113.9	D287 L291 N313	D287-K289 PolarHBondContact O-N 3.07Å; K289-L291 VanDerWaalsContact C-N 3.34Å; K289-N313 PolarHBondContact O-ND2 2.99Å
290	M	98.2	Very high	98.3	Very high	92 Å²	92	44.5 Å²	44.5	45%	0.453	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3	175.8	-63.5	-169.7	66.5	0	0	113.1	L268 C269 L288 E292	L268-M290 CarbonylContact O-C 3.39Å; L268-M290 VanDerWaalsContact O-C 3.29Å; C269-M290 WeakPolarHBondContact CA-O 3.36Å; L288-M290 PolarHBondContact O-N 3.17Å; M290-E292 PolarHBondContact O-N 3.41Å
291	L	98.5	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.			trans	-66.3	120	-173.8	-164.8	66.8	0	0	0	111	L268 L271 L288 K289 N293 I294 N313 L314	L268-L291 HydrophobicContact CD2-CD1 4.27Å; L268-L291 WeakPolarHBondContact O-CA 3.36Å; L268-L291 PolarHBondContact O-N 2.93Å; L271-L291 HydrophobicContact CB-CD1 3.83Å; L288-L291 HydrophobicContact CB-CB 3.99Å; L288-L291 HydrophobicContact CB-CD2 4.29Å; L288-L291 HydrophobicContact CD1-CD2 4.23Å; L288-L291 WeakPolarHBondContact O-CB 3.29Å; L288-L291 PolarHBondContact O-N 2.94Å; L288-L291 VanDerWaalsContact O-N 3.07Å; K289-L291 VanDerWaalsContact C-N 3.34Å; L291-N293 WeakPolarHBondContact CD1-O 3.31Å; L291-I294 HydrophobicContact CD2-CB 4Å; L291-I294 HydrophobicContact CD2-CD1 4.01Å; L291-I294 HydrophobicContact CD2-CG1 4.24Å; L291-N313 CarbonylContact O-C 3.25Å; L291-N313 VanDerWaalsContact O-C 3.26Å; L291-N313 WeakPolarHBondContact O-CB 3.5Å; L291-L314 HydrophobicContact CD2-CD2 4.18Å; L291-L314 HydrophobicContact CG-CD2 4Å; L291-L314 PolarHBondContact O-N 2.7Å
292	E	98.3	Very high	98.3	Very high	80 Å²	80	46.3 Å²	46.3	37%	0.374	23%	0.227	S	C	.	.			trans	-105.8	-36.9	177.2	-69.2	179.3	179.9	0	0	111.1	C269 M290 N313 L314 L315	C269-E292 PolarHBondContact O-N 3.1Å; M290-E292 PolarHBondContact O-N 3.41Å; E292-N313 HydrophobicContact CG-CB 4.27Å; E292-L314 WeakPolarHBondContact O-CA 3.09Å; E292-L315 HydrophobicContact CB-CD1 4.22Å; E292-L315 HydrophobicContact CB-CG 4.26Å; E292-L315 PolarHBondContact O-N 3.43Å
293	N	98.2	Very high	98.3	Very high	67 Å²	67	48.8 Å²	48.8	36%	0.358	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.2	-177	-58.2	-52.6	0	0	0	110.8	C269 T270 L271 L291	C269-N293 PolarHBondContact O-N 2.88Å; C269-N293 VanDerWaalsContact O-N 3.1Å; T270-N293 WeakPolarHBondContact CA-O 3.34Å; T270-N293 HydrophobicContact CG2-CB 4.13Å; L271-N293 PolarHBondContact N-O 3.42Å; L291-N293 WeakPolarHBondContact CD1-O 3.31Å
294	I	98.4	Very high	98.3	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118	173	-164.7	176.9	0	0	0	109.8	L271 I285 L291 L296 L308 L314	L271-I294 HydrophobicContact CB-CG1 4.47Å; L271-I294 CarbonylContact O-C 3.33Å; L271-I294 WeakPolarHBondContact O-CA 3.45Å; I285-I294 HydrophobicContact CD1-CD1 4.11Å; I285-I294 HydrophobicContact CG1-CD1 4.23Å; L291-I294 HydrophobicContact CD2-CB 4Å; L291-I294 HydrophobicContact CD2-CD1 4.01Å; L291-I294 HydrophobicContact CD2-CG1 4.24Å; I294-L296 HydrophobicContact CD1-CD1 4.03Å; I294-L296 HydrophobicContact CD1-CD2 3.94Å; I294-L296 HydrophobicContact CD1-CG 4.09Å; I294-L296 HydrophobicContact CG1-CD1 4.34Å; I294-L296 HydrophobicContact CG1-CD2 3.95Å; I294-L296 HydrophobicContact CG1-CG 3.94Å; I294-L296 HydrophobicContact CG2-CD1 4.39Å; I294-L308 HydrophobicContact CD1-CD1 4.27Å; I294-L314 HydrophobicContact CB-CD2 4.11Å; I294-L314 HydrophobicContact CG2-CD1 4.28Å; I294-L314 HydrophobicContact CG2-CD2 3.7Å
295	G	98.2	Very high	98.3	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.1	177.9	0	0	0	0	0	110.7	L271 L273 Q274	L271-G295 PolarHBondContact O-N 2.77Å; L273-G295 CarbonylContact C-O 3.4Å; L273-G295 VanDerWaalsContact C-O 3.29Å; L273-G295 VanDerWaalsContact CA-O 3.27Å; L273-G295 WeakPolarHBondContact CA-O 3.37Å; L273-G295 VanDerWaalsContact CB-O 3.25Å; L273-G295 WeakPolarHBondContact CB-O 3.38Å; L273-G295 PolarHBondContact N-O 3.49Å; Q274-G295 PolarHBondContact N-O 2.83Å; Q274-G295 VanDerWaalsContact N-O 3.08Å
296	L	98.6	Very high	98.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.243	C	C	.	.			trans	-119.2	-4.5	-177.1	-62.5	177.2	0	0	0	114.1	L273 L281 I294 N299 L301 L304 I319 N322	L273-L296 HydrophobicContact CB-CD2 4.45Å; L273-L296 HydrophobicContact CD1-CD2 3.97Å; L281-L296 HydrophobicContact CD1-CD1 3.82Å; L281-L296 HydrophobicContact CD1-CD2 3.71Å; L281-L296 HydrophobicContact CD1-CG 4.44Å; L281-L296 HydrophobicContact CD2-CD2 3.98Å; L281-L296 HydrophobicContact CG-CD2 4.39Å; I294-L296 HydrophobicContact CD1-CD1 4.03Å; I294-L296 HydrophobicContact CD1-CD2 3.94Å; I294-L296 HydrophobicContact CD1-CG 4.09Å; I294-L296 HydrophobicContact CG1-CD1 4.34Å; I294-L296 HydrophobicContact CG1-CD2 3.95Å; I294-L296 HydrophobicContact CG1-CG 3.94Å; I294-L296 HydrophobicContact CG2-CD1 4.39Å; L296-N299 PolarHBondContact O-ND2 3.42Å; L296-N299 VanDerWaalsContact O-ND2 3.14Å; L296-L301 HydrophobicContact CB-CD1 4.13Å; L296-L301 HydrophobicContact CD1-CD1 4.44Å; L296-L301 HydrophobicContact CD2-CD1 4.33Å; L296-L304 HydrophobicContact CD1-CD2 4.01Å; L296-I319 HydrophobicContact CB-CG2 4.2Å; L296-I319 HydrophobicContact CD1-CG2 4.01Å; L296-N322 PolarHBondContact O-ND2 2.96Å
297	K	98.5	Very high	98.3	Very high	62 Å²	62	49.5 Å²	49.5	27%	0.27	25%	0.25	S	C	.	.			trans	-58.3	148.1	-176.8	67.5	178.8	-175.1	-177.4	0	112.7	Q274 H275 N299 E320	Q274-K297 CarbonylContact C-O 3.54Å; Q274-K297 WeakPolarHBondContact CA-O 3.2Å; Q274-K297 HydrophobicContact CB-CB 4.45Å; Q274-K297 HydrophobicContact CB-CD 4.36Å; Q274-K297 HydrophobicContact CB-CG 3.38Å; Q274-K297 VanDerWaalsContact CB-O 3.26Å; Q274-K297 WeakPolarHBondContact CB-O 3.33Å; Q274-K297 HydrophobicContact CG-CG 4.12Å; H275-K297 PolarHBondContact N-O 2.98Å; K297-N299 PolarHBondContact O-ND2 3.14Å; K297-E320 CarbonylContact C-O 3.26Å; K297-E320 WeakPolarHBondContact CA-O 3.23Å; K297-E320 HydrophobicContact CB-CB 4.24Å
298	Y	98.7	Very high	98.3	Very high	88 Å²	88	46.2 Å²	46.2	35%	0.345	23%	0.232	S	C	.	.	S	Bend	trans	53.6	62	175.8	-52.4	-64.9	0	0	0	112.5	H275 N276 E320 G321	H275-Y298 WeakPolarHBondContact CA-O 3.41Å; H275-Y298 AromaticContact CE1-CD2 3.11Å; H275-Y298 WeakPolarHBondContact CE1-CD2 3.5Å; H275-Y298 AromaticContact CE1-CE2 3.77Å; H275-Y298 AromaticContact CE1-CG 3.69Å; H275-Y298 PolarHBondContact N-O 2.71Å; H275-Y298 AromaticContact ND1-CD2 3.78Å; H275-Y298 AromaticContact ND1-CG 3.96Å; H275-Y298 AromaticContact NE2-CD2 3.35Å; H275-Y298 VanDerWaalsContact NE2-CD2 3.35Å; H275-Y298 WeakPolarHBondContact NE2-CD2 3.46Å; H275-Y298 AromaticContact NE2-CE2 3.95Å; N276-Y298 PolarHBondContact N-O 3.08Å; Y298-E320 HydrophobicContact CE1-CG 4.16Å; Y298-E320 PolarHBondContact N-O 3.09Å; Y298-E320 VanDerWaalsContact OH-CD 3.29Å; Y298-E320 PolarHBondContact OH-OE1 3.5Å; Y298-G321 VanDerWaalsContact CA-O 3.3Å; Y298-G321 WeakPolarHBondContact CA-O 3.26Å
299	N	98.8	Very high	98.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-126.3	-165.2	170.8	-86.2	-79.2	0	0	0	108.8	L273 N276 E277 L278 L296 K297 L301 G321 N322	L273-N299 PolarHBondContact O-ND2 3.21Å; N276-N299 WeakPolarHBondContact CA-OD1 3.16Å; N276-N299 WeakPolarHBondContact CB-OD1 3.37Å; N276-N299 PolarHBondContact N-OD1 3.08Å; N276-N299 PolarHBondContact O-OD1 3.45Å; E277-N299 PolarHBondContact N-OD1 3.23Å; L278-N299 HydrophobicContact CB-CB 4.25Å; L278-N299 VanDerWaalsContact CB-OD1 3.29Å; L278-N299 WeakPolarHBondContact CB-OD1 3.27Å; L278-N299 WeakPolarHBondContact CG-OD1 3.4Å; L278-N299 PolarHBondContact N-OD1 3.02Å; L278-N299 VanDerWaalsContact N-OD1 3.09Å; L296-N299 PolarHBondContact O-ND2 3.42Å; L296-N299 VanDerWaalsContact O-ND2 3.14Å; K297-N299 PolarHBondContact O-ND2 3.14Å; N299-L301 HydrophobicContact CB-CG 4.08Å; N299-G321 PolarHBondContact N-O 3.25Å; N299-N322 WeakPolarHBondContact CA-OD1 3.35Å; N299-N322 WeakPolarHBondContact CB-OD1 3.46Å; N299-N322 PolarHBondContact N-OD1 2.9Å; N299-N322 PolarHBondContact O-OD1 3.02Å
300	H	98.5	Very high	98.2	Very high	83 Å²	83	45.2 Å²	45.2	38%	0.384	23%	0.234	S	C	.	.			trans	-115.3	26.8	176.1	-61.2	-36.6	0	0	0	112	L278 R279 E302 N323	L278-H300 CarbonylContact O-C 3.17Å; L278-H300 VanDerWaalsContact O-CA 3.23Å; L278-H300 WeakPolarHBondContact O-CA 3.14Å; L278-H300 PolarHBondContact O-N 2.91Å; R279-H300 HydrophobicContact CG-CB 4.26Å; H300-E302 PolarHBondContact O-N 2.86Å; H300-N323 PolarHBondContact O-ND2 3.1Å
301	L	98.7	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.			trans	-61.8	126.8	-174.3	-61.8	171.5	0	0	0	109.9	L278 R279 L281 L296 N299 L304 N322 N323 I324	L278-L301 HydrophobicContact CB-CD2 4.04Å; L278-L301 PolarHBondContact O-N 3Å; R279-L301 WeakPolarHBondContact O-CA 3.35Å; L281-L301 HydrophobicContact CD2-CD2 4.3Å; L281-L301 HydrophobicContact CG-CD2 4.03Å; L296-L301 HydrophobicContact CB-CD1 4.13Å; L296-L301 HydrophobicContact CD1-CD1 4.44Å; L296-L301 HydrophobicContact CD2-CD1 4.33Å; N299-L301 HydrophobicContact CB-CG 4.08Å; L301-L304 HydrophobicContact CD1-CD2 4.13Å; L301-N322 HydrophobicContact CB-CB 4.2Å; L301-N322 VanDerWaalsContact CB-OD1 3.27Å; L301-N322 WeakPolarHBondContact CB-OD1 3.35Å; L301-N322 VanDerWaalsContact CG-OD1 3.31Å; L301-N322 WeakPolarHBondContact CG-OD1 3.28Å; L301-N322 PolarHBondContact N-OD1 3.19Å; L301-N323 CarbonylContact O-C 3.57Å; L301-N323 WeakPolarHBondContact O-CA 3.37Å; L301-N323 WeakPolarHBondContact O-CB 3.12Å; L301-N323 PolarHBondContact O-N 3.32Å; L301-I324 HydrophobicContact CB-CD1 3.94Å; L301-I324 HydrophobicContact CB-CG1 4.1Å; L301-I324 VanDerWaalsContact O-CG1 3.23Å; L301-I324 WeakPolarHBondContact O-CG1 3.22Å; L301-I324 PolarHBondContact O-N 3.43Å
302	E	97.9	Very high	98.2	Very high	113 Å²	113	44.1 Å²	44.1	53%	0.528	23%	0.233	S	C	.	.	S	Bend	trans	-91.9	-24.1	175.3	-65	177.5	-164.6	0	0	111.9	R279 H300 N323 W325	R279-E302 PolarHBondContact O-N 3.28Å; H300-E302 PolarHBondContact O-N 2.86Å; E302-N323 HydrophobicContact CG-CB 4.33Å; E302-W325 PolarHBondContact O-NE1 3.29Å
303	S	97.8	Very high	98.1	Very high	60 Å²	60	42.3 Å²	42.3	42%	0.42	23%	0.226	S	C	.	.			trans	-156.2	167.1	176.4	65.6	0	0	0	0	110.9
304	L	98.4	Very high	98.1	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.209	C	C	.	.			trans	-104	147.7	165.7	-58.4	178.1	0	0	0	109	L281 L296 L301 L308 L317 I319 I324 L327 P328 L331	L281-L304 HydrophobicContact CD1-CD2 4.18Å; L296-L304 HydrophobicContact CD1-CD2 4.01Å; L301-L304 HydrophobicContact CD1-CD2 4.13Å; L304-L308 HydrophobicContact CB-CD2 4.28Å; L304-L308 HydrophobicContact CD1-CD2 3.86Å; L304-L308 HydrophobicContact CG-CD2 4.45Å; L304-L317 HydrophobicContact CD1-CD1 4.39Å; L304-I319 HydrophobicContact CD1-CG2 4.07Å; L304-I319 HydrophobicContact CD2-CG2 4.25Å; L304-I324 HydrophobicContact CD2-CD1 3.95Å; L304-I324 HydrophobicContact CG-CD1 4.01Å; L304-L327 HydrophobicContact CD1-CD2 3.9Å; L304-P328 HydrophobicContact CB-CG 4.18Å; L304-P328 WeakPolarHBondContact O-CG 3.4Å; L304-L331 HydrophobicContact CD1-CD2 3.83Å
305	P	98	Very high	98.1	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.084	22%	0.223	C	C	.	.			trans	-73.2	144.1	174.3	29.9	-34.8	0	0	0	111.5	L281 N283 I285 S307 L308	L281-P305 HydrophobicContact CB-CG 4Å; N283-P305 VanDerWaalsContact OD1-CB 3.3Å; N283-P305 WeakPolarHBondContact OD1-CB 3.41Å; I285-P305 HydrophobicContact CG2-CG 3.61Å; P305-S307 PolarHBondContact O-N 3.05Å; P305-S307 VanDerWaalsContact O-N 3.14Å; P305-L308 VanDerWaalsContact O-CB 3.3Å; P305-L308 WeakPolarHBondContact O-CB 3.43Å; P305-L308 PolarHBondContact O-N 3.23Å
306	D	97.6	Very high	98.1	Very high	118 Å²	118	44.8 Å²	44.8	63%	0.631	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-57.1	-31.2	178.3	-60.2	-14.7	0	0	0	112.4	L308 A309 P328	D306-L308 PolarHBondContact O-N 2.78Å; D306-A309 VanDerWaalsContact O-CB 3.24Å; D306-A309 WeakPolarHBondContact O-CB 3.37Å; D306-A309 PolarHBondContact O-N 3.14Å; D306-A309 VanDerWaalsContact O-N 3.09Å; D306-P328 VanDerWaalsContact OD1-CB 3.28Å; D306-P328 WeakPolarHBondContact OD1-CB 3.25Å
307	S	98.1	Very high	98.1	Very high	22 Å²	22	44.8 Å²	44.8	15%	0.154	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.1	179.6	64.3	0	0	0	0	113.6	N283 G286 P305 A309 L310	N283-S307 WeakPolarHBondContact CA-OG 3.39Å; N283-S307 WeakPolarHBondContact O-CB 3.29Å; N283-S307 PolarHBondContact O-OG 3.24Å; G286-S307 WeakPolarHBondContact CA-O 3.2Å; P305-S307 PolarHBondContact O-N 3.05Å; P305-S307 VanDerWaalsContact O-N 3.14Å; S307-A309 PolarHBondContact O-N 3.37Å; S307-A309 VanDerWaalsContact O-N 3.15Å; S307-L310 VanDerWaalsContact O-CB 3.22Å; S307-L310 WeakPolarHBondContact O-CB 2.96Å; S307-L310 WeakPolarHBondContact O-CG 3.45Å; S307-L310 PolarHBondContact O-N 2.71Å
308	L	98.3	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59	-25.2	173.2	-172.6	64.1	0	0	0	111.9	I285 I294 L304 P305 D306 L310 C311 L314 L317 L331	I285-L308 HydrophobicContact CG1-CD1 4.23Å; I285-L308 HydrophobicContact CG2-CB 4.39Å; I285-L308 HydrophobicContact CG2-CD1 4.36Å; I294-L308 HydrophobicContact CD1-CD1 4.27Å; L304-L308 HydrophobicContact CB-CD2 4.28Å; L304-L308 HydrophobicContact CD1-CD2 3.86Å; L304-L308 HydrophobicContact CG-CD2 4.45Å; P305-L308 VanDerWaalsContact O-CB 3.3Å; P305-L308 WeakPolarHBondContact O-CB 3.43Å; P305-L308 PolarHBondContact O-N 3.23Å; D306-L308 PolarHBondContact O-N 2.78Å; L308-L310 PolarHBondContact O-N 3.33Å; L308-L310 VanDerWaalsContact O-N 3.13Å; L308-C311 HydrophobicContact CD1-CB 4.37Å; L308-C311 WeakPolarHBondContact O-CB 3.49Å; L308-C311 PolarHBondContact O-N 2.66Å; L308-L314 HydrophobicContact CD1-CD1 4.1Å; L308-L314 HydrophobicContact CG-CD1 4.46Å; L308-L317 HydrophobicContact CD2-CD1 4.37Å; L308-L331 HydrophobicContact CB-CD1 3.99Å; L308-L331 HydrophobicContact CD2-CD1 4.32Å; L308-L331 HydrophobicContact CD2-CD2 4.4Å; L308-L331 HydrophobicContact CG-CD1 4.14Å
309	A	97.2	Very high	98.1	Very high	13 Å²	13	39.1 Å²	39.1	11%	0.107	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.1	172.8	0	0	0	0	0	113.5	D306 S307 C311 L331 H334	D306-A309 VanDerWaalsContact O-CB 3.24Å; D306-A309 WeakPolarHBondContact O-CB 3.37Å; D306-A309 PolarHBondContact O-N 3.14Å; D306-A309 VanDerWaalsContact O-N 3.09Å; S307-A309 PolarHBondContact O-N 3.37Å; S307-A309 VanDerWaalsContact O-N 3.15Å; A309-C311 VanDerWaalsContact C-N 3.34Å; A309-L331 HydrophobicContact CB-CD1 4.03Å; A309-H334 HydrophobicContact CB-CB 3.93Å; A309-H334 WeakPolarHBondContact O-CB 3.21Å
310	L	97.8	Very high	98.1	Very high	100 Å²	100	40.5 Å²	40.5	52%	0.524	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-78.8	-17.1	176.4	-57.4	176	0	0	0	112.9	G286 S307 L308 T312	G286-L310 WeakPolarHBondContact O-CB 3.44Å; S307-L310 VanDerWaalsContact O-CB 3.22Å; S307-L310 WeakPolarHBondContact O-CB 2.96Å; S307-L310 WeakPolarHBondContact O-CG 3.45Å; S307-L310 PolarHBondContact O-N 2.71Å; L308-L310 PolarHBondContact O-N 3.33Å; L308-L310 VanDerWaalsContact O-N 3.13Å; L310-T312 PolarHBondContact O-N 2.95Å
311	C	98.1	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.			trans	-77.3	58.3	175	-61	0	0	0	0	111.2	I285 L308 A309 N313 L314 L335	I285-C311 PolarHBondContact O-SG 3.14Å; L308-C311 HydrophobicContact CD1-CB 4.37Å; L308-C311 WeakPolarHBondContact O-CB 3.49Å; L308-C311 PolarHBondContact O-N 2.66Å; A309-C311 VanDerWaalsContact C-N 3.34Å; C311-N313 PolarHBondContact O-N 3.23Å; C311-L314 HydrophobicContact CB-CD1 3.79Å; C311-L314 HydrophobicContact CB-CG 3.89Å; C311-L314 VanDerWaalsContact O-CG 3.3Å; C311-L314 WeakPolarHBondContact O-CG 3.42Å; C311-L314 PolarHBondContact O-N 2.88Å; C311-L314 VanDerWaalsContact O-N 3.11Å; C311-L335 WeakPolarHBondContact O-CD2 3.49Å
312	T	97.2	Very high	98.1	Very high	69 Å²	69	37.6 Å²	37.6	42%	0.423	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.2	-173.2	58.1	0	0	0	0	115.2	L310	L310-T312 PolarHBondContact O-N 2.95Å
313	N	97.8	Very high	98.1	Very high	43 Å²	43	34.9 Å²	34.9	23%	0.23	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.3	176.7	-76.3	-43.8	0	0	0	114.2	K289 L291 E292 C311 L315 K337	K289-N313 PolarHBondContact O-ND2 2.99Å; L291-N313 CarbonylContact O-C 3.25Å; L291-N313 VanDerWaalsContact O-C 3.26Å; L291-N313 WeakPolarHBondContact O-CB 3.5Å; E292-N313 HydrophobicContact CG-CB 4.27Å; C311-N313 PolarHBondContact O-N 3.23Å; N313-L315 PolarHBondContact O-N 3.07Å; N313-K337 WeakPolarHBondContact OD1-CE 3.27Å; N313-K337 PolarHBondContact OD1-NZ 2.9Å
314	L	98.4	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.			trans	-55.8	134	178.6	-73	174.5	0	0	0	111.8	L291 E292 I294 L308 C311 L335 K337 V338	L291-L314 HydrophobicContact CD2-CD2 4.18Å; L291-L314 HydrophobicContact CG-CD2 4Å; L291-L314 PolarHBondContact O-N 2.7Å; E292-L314 WeakPolarHBondContact O-CA 3.09Å; I294-L314 HydrophobicContact CB-CD2 4.11Å; I294-L314 HydrophobicContact CG2-CD1 4.28Å; I294-L314 HydrophobicContact CG2-CD2 3.7Å; L308-L314 HydrophobicContact CD1-CD1 4.1Å; L308-L314 HydrophobicContact CG-CD1 4.46Å; C311-L314 HydrophobicContact CB-CD1 3.79Å; C311-L314 HydrophobicContact CB-CG 3.89Å; C311-L314 VanDerWaalsContact O-CG 3.3Å; C311-L314 WeakPolarHBondContact O-CG 3.42Å; C311-L314 PolarHBondContact O-N 2.88Å; C311-L314 VanDerWaalsContact O-N 3.11Å; L314-L335 HydrophobicContact CB-CD2 4.44Å; L314-L335 HydrophobicContact CD1-CD1 4.16Å; L314-L335 HydrophobicContact CD1-CD2 4.06Å; L314-K337 CarbonylContact O-C 3.41Å; L314-K337 VanDerWaalsContact O-C 3.26Å; L314-K337 WeakPolarHBondContact O-CB 3.23Å; L314-V338 HydrophobicContact CB-CG2 3.8Å; L314-V338 WeakPolarHBondContact O-CG2 3.31Å; L314-V338 PolarHBondContact O-N 2.94Å
315	L	97.4	Very high	98.1	Very high	69 Å²	69	37.8 Å²	37.8	36%	0.361	20%	0.199	S	C	.	.	S	Bend	trans	-99.5	-30.7	-179.4	-58	179.5	0	0	0	112.2	E292 N313 K337 V338 S339	E292-L315 HydrophobicContact CB-CD1 4.22Å; E292-L315 HydrophobicContact CB-CG 4.26Å; E292-L315 PolarHBondContact O-N 3.43Å; N313-L315 PolarHBondContact O-N 3.07Å; L315-K337 HydrophobicContact CD2-CB 4.25Å; L315-K337 HydrophobicContact CD2-CD 4.49Å; L315-V338 WeakPolarHBondContact O-CA 3.22Å; L315-S339 PolarHBondContact O-N 3.09Å; L315-S339 PolarHBondContact O-OG 3.23Å
316	E	98.1	Very high	98	Very high	78 Å²	78	41.6 Å²	41.6	36%	0.364	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.7	178.3	179.3	172.5	170.7	0	0	109.9	N318 C340	E316-N318 HydrophobicContact CG-CB 4.28Å; E316-N318 PolarHBondContact OE1-ND2 3.11Å; E316-C340 WeakPolarHBondContact CA-O 3.36Å; E316-C340 HydrophobicContact CB-CB 4.43Å; E316-C340 HydrophobicContact CG-CB 4Å
317	L	98.4	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	105.8	166.7	178.3	64.7	0	0	0	109	L304 L308 I319 L331 L332 L335 V338 C340 V341 T342	L304-L317 HydrophobicContact CD1-CD1 4.39Å; L308-L317 HydrophobicContact CD2-CD1 4.37Å; L317-I319 HydrophobicContact CD1-CG2 4.02Å; L317-I319 HydrophobicContact CG-CG2 4.45Å; L317-L331 HydrophobicContact CD2-CD2 4.19Å; L317-L332 HydrophobicContact CD2-CD2 3.83Å; L317-L335 HydrophobicContact CD2-CD1 4.42Å; L317-V338 HydrophobicContact CB-CG1 4.42Å; L317-C340 PolarHBondContact N-O 2.77Å; L317-V341 CarbonylContact O-C 3.17Å; L317-V341 WeakPolarHBondContact O-CA 3.38Å; L317-T342 PolarHBondContact O-N 2.77Å
318	N	98.6	Very high	98	Very high	31 Å²	31	35.9 Å²	35.9	17%	0.166	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.5	178.2	-170.1	-23.6	0	0	0	110.8	E316 E320	E316-N318 HydrophobicContact CG-CB 4.28Å; E316-N318 PolarHBondContact OE1-ND2 3.11Å; N318-E320 WeakPolarHBondContact OD1-CB 3.39Å; N318-E320 PolarHBondContact OD1-N 3.14Å; N318-E320 VanDerWaalsContact OD1-N 3.09Å
319	I	98.6	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.			trans	-116.4	23.9	179.3	61.5	167.4	0	0	0	111.9	L296 L304 L317 G321 N322 I324 L327 T342 L343 N346 F348	L296-I319 HydrophobicContact CB-CG2 4.2Å; L296-I319 HydrophobicContact CD1-CG2 4.01Å; L304-I319 HydrophobicContact CD1-CG2 4.07Å; L304-I319 HydrophobicContact CD2-CG2 4.25Å; L317-I319 HydrophobicContact CD1-CG2 4.02Å; L317-I319 HydrophobicContact CG-CG2 4.45Å; I319-G321 PolarHBondContact O-N 3.18Å; I319-N322 PolarHBondContact O-ND2 3.44Å; I319-I324 HydrophobicContact CB-CD1 4.08Å; I319-I324 HydrophobicContact CD1-CB 4.32Å; I319-I324 HydrophobicContact CD1-CD1 3.59Å; I319-I324 HydrophobicContact CD1-CG2 4.23Å; I319-I324 HydrophobicContact CG1-CD1 4.38Å; I319-I324 HydrophobicContact CG2-CD1 4.35Å; I319-L327 HydrophobicContact CD1-CD2 3.89Å; I319-T342 WeakPolarHBondContact CG1-O 3.4Å; I319-T342 PolarHBondContact N-O 3.09Å; I319-L343 HydrophobicContact CD1-CD2 3.61Å; I319-L343 HydrophobicContact CG1-CD2 3.73Å; I319-N346 PolarHBondContact O-ND2 3.04Å; I319-F348 HydrophobicContact CD1-CE2 4.14Å; I319-F348 HydrophobicContact CD1-CZ 4.2Å
320	E	98.8	Very high	97.4	Very high	34 Å²	34	43.8 Å²	43.8	16%	0.159	22%	0.222	C	C	.	.			trans	-51.5	139.5	-178.2	177.7	173.1	168.3	0	0	112.4	K297 Y298 N318 N322 T342 S344 R345	K297-E320 CarbonylContact C-O 3.26Å; K297-E320 WeakPolarHBondContact CA-O 3.23Å; K297-E320 HydrophobicContact CB-CB 4.24Å; Y298-E320 HydrophobicContact CE1-CG 4.16Å; Y298-E320 PolarHBondContact N-O 3.09Å; Y298-E320 VanDerWaalsContact OH-CD 3.29Å; Y298-E320 PolarHBondContact OH-OE1 3.5Å; N318-E320 WeakPolarHBondContact OD1-CB 3.39Å; N318-E320 PolarHBondContact OD1-N 3.14Å; N318-E320 VanDerWaalsContact OD1-N 3.09Å; E320-N322 PolarHBondContact O-ND2 3.17Å; E320-T342 HydrophobicContact CB-CG2 4.08Å; E320-S344 VanDerWaalsContact CA-O 3.27Å; E320-S344 WeakPolarHBondContact CA-O 3.12Å; E320-S344 VanDerWaalsContact CG-OG 3.23Å; E320-S344 WeakPolarHBondContact CG-OG 3.35Å; E320-S344 PolarHBondContact OE2-OG 2.8Å; E320-R345 HydrophobicContact CG-CB 4.27Å; E320-R345 HydrophobicContact CG-CG 4.37Å; E320-R345 WeakPolarHBondContact OE1-CD 3.21Å; E320-R345 IonicContact OE1-NE 3.43Å; E320-R345 PolarHBondContact OE1-NE 2.87Å
321	G	98.7	Very high	97.3	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	20%	0.198	C	C	.	.	S	Bend	trans	69.3	44.5	170.8	0	0	0	0	0	113	Y298 N299 I319 S344 R345	Y298-G321 VanDerWaalsContact CA-O 3.3Å; Y298-G321 WeakPolarHBondContact CA-O 3.26Å; N299-G321 PolarHBondContact N-O 3.25Å; I319-G321 PolarHBondContact O-N 3.18Å; G321-S344 PolarHBondContact N-O 2.91Å; G321-R345 VanDerWaalsContact CA-O 3.22Å; G321-R345 WeakPolarHBondContact CA-O 3.36Å; G321-R345 PolarHBondContact N-O 2.84Å
322	N	98.8	Very high	97.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-119.8	-175.8	174.1	-82.2	-79.8	0	0	0	110.4	L296 N299 L301 I319 E320 I324 R345 N346	L296-N322 PolarHBondContact O-ND2 2.96Å; N299-N322 WeakPolarHBondContact CA-OD1 3.35Å; N299-N322 WeakPolarHBondContact CB-OD1 3.46Å; N299-N322 PolarHBondContact N-OD1 2.9Å; N299-N322 PolarHBondContact O-OD1 3.02Å; L301-N322 HydrophobicContact CB-CB 4.2Å; L301-N322 VanDerWaalsContact CB-OD1 3.27Å; L301-N322 WeakPolarHBondContact CB-OD1 3.35Å; L301-N322 VanDerWaalsContact CG-OD1 3.31Å; L301-N322 WeakPolarHBondContact CG-OD1 3.28Å; L301-N322 PolarHBondContact N-OD1 3.19Å; I319-N322 PolarHBondContact O-ND2 3.44Å; E320-N322 PolarHBondContact O-ND2 3.17Å; N322-I324 HydrophobicContact CB-CD1 4.15Å; N322-I324 HydrophobicContact CB-CG1 4.07Å; N322-R345 PolarHBondContact N-O 3.37Å; N322-N346 WeakPolarHBondContact CA-OD1 3.47Å; N322-N346 VanDerWaalsContact CB-OD1 3.27Å; N322-N346 WeakPolarHBondContact CB-OD1 3.22Å; N322-N346 PolarHBondContact O-OD1 3.01Å; N322-N346 VanDerWaalsContact O-OD1 3.08Å
323	N	98.6	Very high	97.2	Very high	56 Å²	56	38.3 Å²	38.3	30%	0.299	19%	0.192	S	C	.	.			trans	-101.3	27.1	177.6	-58.6	-36.4	0	0	0	112.2	H300 L301 E302 Y347	H300-N323 PolarHBondContact O-ND2 3.1Å; L301-N323 CarbonylContact O-C 3.57Å; L301-N323 WeakPolarHBondContact O-CA 3.37Å; L301-N323 WeakPolarHBondContact O-CB 3.12Å; L301-N323 PolarHBondContact O-N 3.32Å; E302-N323 HydrophobicContact CG-CB 4.33Å; N323-Y347 HydrophobicContact CB-CD2 4.37Å; N323-Y347 HydrophobicContact CB-CE2 4.22Å
324	I	98.5	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.			trans	-83	134.1	-172.2	-61.6	172.5	0	0	0	109.9	L301 L304 I319 N322 Q326 L327 N346 Y347 F348	L301-I324 HydrophobicContact CB-CD1 3.94Å; L301-I324 HydrophobicContact CB-CG1 4.1Å; L301-I324 VanDerWaalsContact O-CG1 3.23Å; L301-I324 WeakPolarHBondContact O-CG1 3.22Å; L301-I324 PolarHBondContact O-N 3.43Å; L304-I324 HydrophobicContact CD2-CD1 3.95Å; L304-I324 HydrophobicContact CG-CD1 4.01Å; I319-I324 HydrophobicContact CB-CD1 4.08Å; I319-I324 HydrophobicContact CD1-CB 4.32Å; I319-I324 HydrophobicContact CD1-CD1 3.59Å; I319-I324 HydrophobicContact CD1-CG2 4.23Å; I319-I324 HydrophobicContact CG1-CD1 4.38Å; I319-I324 HydrophobicContact CG2-CD1 4.35Å; N322-I324 HydrophobicContact CB-CD1 4.15Å; N322-I324 HydrophobicContact CB-CG1 4.07Å; I324-Q326 WeakPolarHBondContact CG2-O 3.33Å; I324-L327 HydrophobicContact CG2-CD2 4.47Å; I324-N346 WeakPolarHBondContact CB-OD1 3.49Å; I324-N346 PolarHBondContact N-OD1 3.22Å; I324-N346 WeakPolarHBondContact O-CB 3.44Å; I324-Y347 CarbonylContact O-C 3.54Å; I324-Y347 WeakPolarHBondContact O-CA 3.41Å; I324-Y347 PolarHBondContact O-N 3.48Å; I324-F348 HydrophobicContact CB-CE2 4.3Å; I324-F348 HydrophobicContact CB-CZ 4.47Å; I324-F348 HydrophobicContact CG2-CE1 4.43Å; I324-F348 HydrophobicContact CG2-CE2 3.92Å; I324-F348 HydrophobicContact CG2-CZ 3.61Å
325	W	97.2	Very high	97	Very high	127 Å²	127	41.1 Å²	41.1	48%	0.481	20%	0.204	S	C	.	.			trans	-118.6	-14.4	179.4	52.1	-84.5	0	0	0	113.3	E302	E302-W325 PolarHBondContact O-NE1 3.29Å
326	Q	96.9	Very high	96.8	Very high	93 Å²	93	45.3 Å²	45.3	44%	0.435	22%	0.219	S	C	.	.			trans	-152	155.3	171.1	69.6	176.2	20	0	0	111.4	I324	I324-Q326 WeakPolarHBondContact CG2-O 3.33Å
327	L	97.6	Very high	96.8	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-93.8	152.7	167.4	-63	-176.8	0	0	0	110.3	L304 I319 I324 L331 L332 L343 F348 P352	L304-L327 HydrophobicContact CD1-CD2 3.9Å; I319-L327 HydrophobicContact CD1-CD2 3.89Å; I324-L327 HydrophobicContact CG2-CD2 4.47Å; L327-L331 HydrophobicContact CB-CD2 4.45Å; L327-L331 HydrophobicContact CD2-CD2 4.34Å; L327-L332 HydrophobicContact CD1-CD1 3.89Å; L327-L332 HydrophobicContact CD1-CD2 4.43Å; L327-L332 HydrophobicContact CD1-CG 3.98Å; L327-L343 HydrophobicContact CD1-CD1 4.19Å; L327-L343 HydrophobicContact CD1-CD2 4.14Å; L327-L343 HydrophobicContact CD2-CD2 4.46Å; L327-F348 HydrophobicContact CD2-CE1 4.42Å; L327-F348 HydrophobicContact CD2-CZ 3.87Å; L327-F348 HydrophobicContact CG-CE1 3.97Å; L327-F348 HydrophobicContact CG-CZ 3.89Å; L327-P352 HydrophobicContact CD1-CB 4.05Å; L327-P352 HydrophobicContact CD1-CG 3.94Å; L327-P352 HydrophobicContact CG-CB 4.47Å; L327-P352 HydrophobicContact CG-CG 4.39Å
328	P	96.3	Very high	96.8	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.084	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-49.9	143.1	165.2	-31.6	38.5	0	0	0	113.2	L304 D306 G330 L331	L304-P328 HydrophobicContact CB-CG 4.18Å; L304-P328 WeakPolarHBondContact O-CG 3.4Å; D306-P328 VanDerWaalsContact OD1-CB 3.28Å; D306-P328 WeakPolarHBondContact OD1-CB 3.25Å; P328-G330 PolarHBondContact O-N 3.34Å; P328-L331 HydrophobicContact CB-CB 4.18Å; P328-L331 WeakPolarHBondContact O-CB 3.45Å; P328-L331 PolarHBondContact O-N 3.01Å; P328-L331 VanDerWaalsContact O-N 3.15Å
329	E	92.3	Very high	96.8	Very high	169 Å²	169	47.3 Å²	47.3	79%	0.79	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	125.5	-178.8	-172.6	179.7	169.7	0	0	110.8	L331	E329-L331 PolarHBondContact O-N 3.47Å
330	G	90.8	Very high	96.8	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	9.7	177.1	0	0	0	0	0	114.7	P328 L332 T333 H334	P328-G330 PolarHBondContact O-N 3.34Å; G330-L332 PolarHBondContact O-N 3.43Å; G330-T333 WeakPolarHBondContact O-CB 3.34Å; G330-T333 PolarHBondContact O-N 3.37Å; G330-T333 VanDerWaalsContact O-N 3.1Å; G330-H334 PolarHBondContact O-N 3.02Å; G330-H334 PolarHBondContact O-ND1 3.46Å
331	L	96.8	Very high	96.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-49.5	-58	174.7	176.4	61.4	0	0	0	110.7	L304 L308 A309 L317 L327 P328 E329 T333 H334 L335	L304-L331 HydrophobicContact CD1-CD2 3.83Å; L308-L331 HydrophobicContact CB-CD1 3.99Å; L308-L331 HydrophobicContact CD2-CD1 4.32Å; L308-L331 HydrophobicContact CD2-CD2 4.4Å; L308-L331 HydrophobicContact CG-CD1 4.14Å; A309-L331 HydrophobicContact CB-CD1 4.03Å; L317-L331 HydrophobicContact CD2-CD2 4.19Å; L327-L331 HydrophobicContact CB-CD2 4.45Å; L327-L331 HydrophobicContact CD2-CD2 4.34Å; P328-L331 HydrophobicContact CB-CB 4.18Å; P328-L331 WeakPolarHBondContact O-CB 3.45Å; P328-L331 PolarHBondContact O-N 3.01Å; P328-L331 VanDerWaalsContact O-N 3.15Å; E329-L331 PolarHBondContact O-N 3.47Å; L331-T333 PolarHBondContact O-N 3.12Å; L331-H334 PolarHBondContact O-N 3.17Å; L331-H334 VanDerWaalsContact O-N 3.11Å; L331-L335 HydrophobicContact CD1-CD1 4.08Å; L331-L335 HydrophobicContact CD1-CG 4.39Å; L331-L335 HydrophobicContact CG-CD1 4.19Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 2.93Å
332	L	97.1	Very high	96.8	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-27.1	-178.8	-66.8	-175.9	0	0	0	112.9	L317 L327 G330 H334 L335 V341 P352 Q358 F359 I362	L317-L332 HydrophobicContact CD2-CD2 3.83Å; L327-L332 HydrophobicContact CD1-CD1 3.89Å; L327-L332 HydrophobicContact CD1-CD2 4.43Å; L327-L332 HydrophobicContact CD1-CG 3.98Å; G330-L332 PolarHBondContact O-N 3.43Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.4Å; L332-L335 PolarHBondContact O-N 3.41Å; L332-V341 HydrophobicContact CD2-CG1 4.4Å; L332-V341 HydrophobicContact CD2-CG2 4.05Å; L332-P352 HydrophobicContact CD1-CB 4.41Å; L332-Q358 HydrophobicContact CB-CB 3.77Å; L332-Q358 HydrophobicContact CB-CG 4.31Å; L332-F359 HydrophobicContact CD1-CE1 4.27Å; L332-I362 HydrophobicContact CD1-CD1 4.41Å
333	T	95.3	Very high	96.8	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-30.4	175.1	-55.2	0	0	0	0	112.9	G330 L331 Q357	G330-T333 WeakPolarHBondContact O-CB 3.34Å; G330-T333 PolarHBondContact O-N 3.37Å; G330-T333 VanDerWaalsContact O-N 3.1Å; L331-T333 PolarHBondContact O-N 3.12Å; T333-Q357 HydrophobicContact CG2-CB 4.14Å
334	H	95.9	Very high	96.8	Very high	102 Å²	102	44.2 Å²	44.2	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-86.2	-26.8	179.1	-66.4	95	0	0	0	113	A309 G330 L331 L332 K336	A309-H334 HydrophobicContact CB-CB 3.93Å; A309-H334 WeakPolarHBondContact O-CB 3.21Å; G330-H334 PolarHBondContact O-N 3.02Å; G330-H334 PolarHBondContact O-ND1 3.46Å; L331-H334 PolarHBondContact O-N 3.17Å; L331-H334 VanDerWaalsContact O-N 3.11Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-H334 PolarHBondContact O-N 3.4Å; H334-K336 PolarHBondContact O-N 2.91Å
335	L	96.3	Very high	96.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.235	C	C	.	.			trans	-80.6	62.8	-177.6	-61.9	-173.7	0	0	0	112.7	C311 L314 L317 L331 L332 K337 V338	C311-L335 WeakPolarHBondContact O-CD2 3.49Å; L314-L335 HydrophobicContact CB-CD2 4.44Å; L314-L335 HydrophobicContact CD1-CD1 4.16Å; L314-L335 HydrophobicContact CD1-CD2 4.06Å; L317-L335 HydrophobicContact CD2-CD1 4.42Å; L331-L335 HydrophobicContact CD1-CD1 4.08Å; L331-L335 HydrophobicContact CD1-CG 4.39Å; L331-L335 HydrophobicContact CG-CD1 4.19Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 2.93Å; L332-L335 PolarHBondContact O-N 3.41Å; L335-K337 PolarHBondContact O-N 3.17Å; L335-K337 VanDerWaalsContact O-N 3.07Å; L335-V338 HydrophobicContact CB-CB 4.13Å; L335-V338 HydrophobicContact CB-CG2 3.66Å; L335-V338 HydrophobicContact CD1-CG2 4.02Å; L335-V338 HydrophobicContact CG-CG2 4.38Å; L335-V338 WeakPolarHBondContact O-CB 3.27Å; L335-V338 PolarHBondContact O-N 3.41Å
336	K	94.4	Very high	96.9	Very high	157 Å²	157	44.2 Å²	44.2	68%	0.683	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.7	-171.9	-62.4	-179.4	-176.6	178.4	0	115.9	H334 S361	H334-K336 PolarHBondContact O-N 2.91Å; K336-S361 WeakPolarHBondContact O-CB 3.33Å
337	K	97.5	Very high	96.9	Very high	106 Å²	106	45.6 Å²	45.6	46%	0.461	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-9.7	176	-67.3	-166.6	-174.2	174	0	113.1	N313 L314 L315 L335 S339	N313-K337 WeakPolarHBondContact OD1-CE 3.27Å; N313-K337 PolarHBondContact OD1-NZ 2.9Å; L314-K337 CarbonylContact O-C 3.41Å; L314-K337 VanDerWaalsContact O-C 3.26Å; L314-K337 WeakPolarHBondContact O-CB 3.23Å; L315-K337 HydrophobicContact CD2-CB 4.25Å; L315-K337 HydrophobicContact CD2-CD 4.49Å; L335-K337 PolarHBondContact O-N 3.17Å; L335-K337 VanDerWaalsContact O-N 3.07Å; K337-S339 PolarHBondContact O-N 2.92Å
338	V	98.1	Very high	97	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.215	C	C	.	.			trans	-69.7	120.3	-179.7	171.9	0	0	0	0	109.2	L314 L315 L317 L335 C340 V341 S361	L314-V338 HydrophobicContact CB-CG2 3.8Å; L314-V338 WeakPolarHBondContact O-CG2 3.31Å; L314-V338 PolarHBondContact O-N 2.94Å; L315-V338 WeakPolarHBondContact O-CA 3.22Å; L317-V338 HydrophobicContact CB-CG1 4.42Å; L335-V338 HydrophobicContact CB-CB 4.13Å; L335-V338 HydrophobicContact CB-CG2 3.66Å; L335-V338 HydrophobicContact CD1-CG2 4.02Å; L335-V338 HydrophobicContact CG-CG2 4.38Å; L335-V338 WeakPolarHBondContact O-CB 3.27Å; L335-V338 PolarHBondContact O-N 3.41Å; V338-C340 VanDerWaalsContact CG1-O 3.3Å; V338-C340 WeakPolarHBondContact CG1-O 3.39Å; V338-V341 HydrophobicContact CG1-CG2 3.43Å; V338-V341 VanDerWaalsContact CG1-CG2 3.43Å; V338-S361 CarbonylContact O-C 3.32Å; V338-S361 WeakPolarHBondContact O-CB 3.46Å; V338-S361 PolarHBondContact O-OG 2.86Å
339	S	98	Very high	97	Very high	43 Å²	43	48.5 Å²	48.5	30%	0.301	23%	0.231	S	C	.	.			trans	-106.1	-26.7	178.8	63.1	0	0	0	0	112.2	L315 K337 Q363 S364	L315-S339 PolarHBondContact O-N 3.09Å; L315-S339 PolarHBondContact O-OG 3.23Å; K337-S339 PolarHBondContact O-N 2.92Å; S339-Q363 WeakPolarHBondContact O-CA 3.27Å; S339-Q363 PolarHBondContact O-N 3.09Å; S339-S364 PolarHBondContact O-N 3.13Å
340	C	98.6	Very high	97.1	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.203	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.7	178.1	-172.1	0	0	0	0	110.4	E316 L317 V338	E316-C340 WeakPolarHBondContact CA-O 3.36Å; E316-C340 HydrophobicContact CB-CB 4.43Å; E316-C340 HydrophobicContact CG-CB 4Å; L317-C340 PolarHBondContact N-O 2.77Å; V338-C340 VanDerWaalsContact CG1-O 3.3Å; V338-C340 WeakPolarHBondContact CG1-O 3.39Å
341	V	98.6	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.7	176.2	178.1	0	0	0	0	109.6	L317 L332 V338 L343 I362 S364 L365 N366	L317-V341 CarbonylContact O-C 3.17Å; L317-V341 WeakPolarHBondContact O-CA 3.38Å; L332-V341 HydrophobicContact CD2-CG1 4.4Å; L332-V341 HydrophobicContact CD2-CG2 4.05Å; V338-V341 HydrophobicContact CG1-CG2 3.43Å; V338-V341 VanDerWaalsContact CG1-CG2 3.43Å; V341-L343 HydrophobicContact CG1-CD1 4.2Å; V341-L343 HydrophobicContact CG1-CD2 3.59Å; V341-L343 HydrophobicContact CG1-CG 3.75Å; V341-I362 HydrophobicContact CB-CD1 4.38Å; V341-I362 HydrophobicContact CG2-CD1 3.51Å; V341-I362 HydrophobicContact CG2-CG1 3.95Å; V341-I362 HydrophobicContact CG2-CG2 4.43Å; V341-S364 PolarHBondContact N-O 3.26Å; V341-L365 HydrophobicContact CB-CD1 3.9Å; V341-L365 HydrophobicContact CG1-CD1 3.8Å; V341-L365 WeakPolarHBondContact O-CA 3.3Å; V341-N366 PolarHBondContact O-N 3.25Å
342	T	98.7	Very high	97.2	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.08	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.1	177	-60.4	0	0	0	0	109.7	L317 I319 E320 S344 N366	L317-T342 PolarHBondContact O-N 2.77Å; I319-T342 WeakPolarHBondContact CG1-O 3.4Å; I319-T342 PolarHBondContact N-O 3.09Å; E320-T342 HydrophobicContact CB-CG2 4.08Å; T342-S344 VanDerWaalsContact CG2-OG 3.22Å; T342-S344 WeakPolarHBondContact CG2-OG 3.39Å; T342-N366 HydrophobicContact CG2-CB 4.22Å
343	L	98.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.			trans	-113.3	15.7	178.6	-45.2	179.7	0	0	0	111.3	I319 L327 V341 N346 F348 P352 L365 N366 M367 N370	I319-L343 HydrophobicContact CD1-CD2 3.61Å; I319-L343 HydrophobicContact CG1-CD2 3.73Å; L327-L343 HydrophobicContact CD1-CD1 4.19Å; L327-L343 HydrophobicContact CD1-CD2 4.14Å; L327-L343 HydrophobicContact CD2-CD2 4.46Å; V341-L343 HydrophobicContact CG1-CD1 4.2Å; V341-L343 HydrophobicContact CG1-CD2 3.59Å; V341-L343 HydrophobicContact CG1-CG 3.75Å; L343-N346 PolarHBondContact O-ND2 2.91Å; L343-F348 HydrophobicContact CB-CD2 4.33Å; L343-F348 HydrophobicContact CB-CE2 3.94Å; L343-F348 HydrophobicContact CB-CZ 4.47Å; L343-F348 HydrophobicContact CD1-CZ 4.34Å; L343-P352 HydrophobicContact CD1-CG 3.81Å; L343-L365 HydrophobicContact CD1-CD1 4.48Å; L343-N366 PolarHBondContact N-O 3.42Å; L343-M367 HydrophobicContact CB-CG 4.39Å; L343-M367 HydrophobicContact CD1-CE 3.79Å; L343-M367 HydrophobicContact CD1-CG 4.21Å; L343-M367 HydrophobicContact CD1-SD 4.41Å; L343-N370 PolarHBondContact O-ND2 3.37Å
344	S	98.6	Very high	96.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.021	23%	0.234	C	C	.	.			trans	-65.6	158.6	-172.5	54	0	0	0	0	112.6	E320 G321 T342 N346 E368	E320-S344 VanDerWaalsContact CA-O 3.27Å; E320-S344 WeakPolarHBondContact CA-O 3.12Å; E320-S344 VanDerWaalsContact CG-OG 3.23Å; E320-S344 WeakPolarHBondContact CG-OG 3.35Å; E320-S344 PolarHBondContact OE2-OG 2.8Å; G321-S344 PolarHBondContact N-O 2.91Å; T342-S344 VanDerWaalsContact CG2-OG 3.22Å; T342-S344 WeakPolarHBondContact CG2-OG 3.39Å; S344-N346 PolarHBondContact O-N 2.77Å; S344-N346 PolarHBondContact O-ND2 3.31Å; S344-E368 CarbonylContact C-O 3.46Å; S344-E368 WeakPolarHBondContact CA-O 3.5Å; S344-E368 VanDerWaalsContact CB-O 3.27Å; S344-E368 WeakPolarHBondContact CB-O 3.36Å
345	R	98.7	Very high	96.2	Very high	118 Å²	118	43.2 Å²	43.2	45%	0.445	23%	0.225	S	C	.	.	S	Bend	trans	52.2	53.9	176.2	-56.9	-179.4	-178.8	-76.9	-4.7	112.4	E320 G321 N322 E368 Y369	E320-R345 HydrophobicContact CG-CB 4.27Å; E320-R345 HydrophobicContact CG-CG 4.37Å; E320-R345 WeakPolarHBondContact OE1-CD 3.21Å; E320-R345 IonicContact OE1-NE 3.43Å; E320-R345 PolarHBondContact OE1-NE 2.87Å; G321-R345 VanDerWaalsContact CA-O 3.22Å; G321-R345 WeakPolarHBondContact CA-O 3.36Å; G321-R345 PolarHBondContact N-O 2.84Å; N322-R345 PolarHBondContact N-O 3.37Å; R345-E368 PolarHBondContact N-O 2.81Å; R345-Y369 VanDerWaalsContact CA-O 3.22Å; R345-Y369 WeakPolarHBondContact CA-O 3.22Å; R345-Y369 HydrophobicContact CG-CD2 4.22Å; R345-Y369 HydrophobicContact CG-CG 4.28Å; R345-Y369 PolarHBondContact N-O 3.18Å
346	N	98.7	Very high	96.2	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.048	23%	0.233	C	C	.	.	S	Bend	trans	-133.5	-167.2	178.8	-88.6	-79.4	0	0	0	108.6	I319 N322 I324 L343 S344 F348 Y369 N370	I319-N346 PolarHBondContact O-ND2 3.04Å; N322-N346 WeakPolarHBondContact CA-OD1 3.47Å; N322-N346 VanDerWaalsContact CB-OD1 3.27Å; N322-N346 WeakPolarHBondContact CB-OD1 3.22Å; N322-N346 PolarHBondContact O-OD1 3.01Å; N322-N346 VanDerWaalsContact O-OD1 3.08Å; I324-N346 WeakPolarHBondContact CB-OD1 3.49Å; I324-N346 PolarHBondContact N-OD1 3.22Å; I324-N346 WeakPolarHBondContact O-CB 3.44Å; L343-N346 PolarHBondContact O-ND2 2.91Å; S344-N346 PolarHBondContact O-N 2.77Å; S344-N346 PolarHBondContact O-ND2 3.31Å; N346-F348 HydrophobicContact CB-CD2 3.69Å; N346-F348 HydrophobicContact CB-CE2 3.88Å; N346-Y369 PolarHBondContact N-O 2.73Å; N346-N370 WeakPolarHBondContact CA-OD1 3.11Å; N346-N370 WeakPolarHBondContact CB-OD1 3.43Å; N346-N370 PolarHBondContact N-OD1 3.4Å; N346-N370 PolarHBondContact O-OD1 3.1Å; N346-N370 VanDerWaalsContact O-OD1 3.08Å
347	Y	98.3	Very high	96.2	Very high	122 Å²	122	40.7 Å²	40.7	48%	0.478	22%	0.218	S	C	.	.			trans	-113.1	27.9	-177.8	-64.1	-83.9	0	0	0	112.7	N323 I324 N349 N370	N323-Y347 HydrophobicContact CB-CD2 4.37Å; N323-Y347 HydrophobicContact CB-CE2 4.22Å; I324-Y347 CarbonylContact O-C 3.54Å; I324-Y347 WeakPolarHBondContact O-CA 3.41Å; I324-Y347 PolarHBondContact O-N 3.48Å; Y347-N349 PolarHBondContact O-N 3.42Å; Y347-N370 PolarHBondContact N-OD1 2.88Å
348	F	98.4	Very high	96.1	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.196	C	C	.	.			trans	-64	118.8	177	-72.7	-90.1	0	0	0	110.3	I319 I324 L327 L343 N346 P352 N370 Q371 I372	I319-F348 HydrophobicContact CD1-CE2 4.14Å; I319-F348 HydrophobicContact CD1-CZ 4.2Å; I324-F348 HydrophobicContact CB-CE2 4.3Å; I324-F348 HydrophobicContact CB-CZ 4.47Å; I324-F348 HydrophobicContact CG2-CE1 4.43Å; I324-F348 HydrophobicContact CG2-CE2 3.92Å; I324-F348 HydrophobicContact CG2-CZ 3.61Å; L327-F348 HydrophobicContact CD2-CE1 4.42Å; L327-F348 HydrophobicContact CD2-CZ 3.87Å; L327-F348 HydrophobicContact CG-CE1 3.97Å; L327-F348 HydrophobicContact CG-CZ 3.89Å; L343-F348 HydrophobicContact CB-CD2 4.33Å; L343-F348 HydrophobicContact CB-CE2 3.94Å; L343-F348 HydrophobicContact CB-CZ 4.47Å; L343-F348 HydrophobicContact CD1-CZ 4.34Å; N346-F348 HydrophobicContact CB-CD2 3.69Å; N346-F348 HydrophobicContact CB-CE2 3.88Å; F348-P352 HydrophobicContact CE1-CG 4.49Å; F348-N370 HydrophobicContact CB-CB 4.23Å; F348-N370 WeakPolarHBondContact CB-OD1 3.22Å; F348-N370 WeakPolarHBondContact CD2-OD1 3.35Å; F348-N370 PolarHBondContact N-OD1 3.39Å; F348-Q371 CarbonylContact O-C 3.2Å; F348-Q371 VanDerWaalsContact O-C 3.24Å; F348-Q371 WeakPolarHBondContact O-CA 3.46Å; F348-Q371 PolarHBondContact O-N 2.68Å; F348-I372 HydrophobicContact CB-CD1 4.44Å; F348-I372 HydrophobicContact CB-CG1 4.18Å; F348-I372 WeakPolarHBondContact O-CG1 3.38Å; F348-I372 PolarHBondContact O-N 2.86Å
349	N	96.9	Very high	96.1	Very high	80 Å²	80	35.7 Å²	35.7	43%	0.428	20%	0.196	S	C	.	.	S	Bend	trans	-100.1	-13.4	172.2	63.6	11.1	0	0	0	113	Y347 Q371	Y347-N349 PolarHBondContact O-N 3.42Å; N349-Q371 WeakPolarHBondContact CA-O 3.45Å; N349-Q371 HydrophobicContact CB-CB 4.38Å
350	I	95.5	Very high	96	Very high	87 Å²	87	36.5 Å²	36.5	45%	0.446	20%	0.199	S	C	.	.	S	Bend	trans	-135.9	160	176.9	61.2	172.9	0	0	0	109.9
351	F	94.8	Very high	95.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-65.4	150.8	170.2	-90.9	-103	0	0	0	112.1	S353 M367 I372 R374 I375 P376 F380 M391	F351-S353 PolarHBondContact O-N 2.93Å; F351-M367 HydrophobicContact CD1-CE 4.41Å; F351-M367 HydrophobicContact CD1-SD 3.96Å; F351-M367 HydrophobicContact CE1-SD 3.61Å; F351-M367 HydrophobicContact CZ-SD 4.07Å; F351-I372 HydrophobicContact CD2-CG2 3.64Å; F351-I372 HydrophobicContact CE2-CD1 4.44Å; F351-I372 HydrophobicContact CE2-CG2 3.51Å; F351-R374 VanDerWaalsContact CD2-O 3.26Å; F351-R374 WeakPolarHBondContact CD2-O 3.47Å; F351-I375 HydrophobicContact CE1-CG2 4.4Å; F351-I375 HydrophobicContact CE2-CB 3.93Å; F351-I375 HydrophobicContact CE2-CG1 3.64Å; F351-I375 HydrophobicContact CE2-CG2 4.04Å; F351-I375 HydrophobicContact CZ-CB 4.19Å; F351-I375 HydrophobicContact CZ-CG1 3.83Å; F351-I375 HydrophobicContact CZ-CG2 3.87Å; F351-P376 HydrophobicContact CB-CG 3.76Å; F351-P376 VanDerWaalsContact CD2-CD 3.44Å; F351-P376 HydrophobicContact CD2-CG 4.39Å; F351-P376 VanDerWaalsContact CG-CD 3.5Å; F351-P376 HydrophobicContact CG-CG 4.16Å; F351-F380 HydrophobicContact CE1-CE2 4.32Å; F351-F380 AromaticContact CE1-CZ 3.8Å; F351-F380 HydrophobicContact CE1-CZ 3.8Å; F351-F380 HydrophobicContact CZ-CZ 4.5Å; F351-M391 HydrophobicContact CZ-SD 3.71Å
352	P	93.6	Very high	95.9	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.039	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-52.6	135.1	171.4	-28	35.4	0	0	0	113.1	L327 L332 L343 F348 Q358 M367	L327-P352 HydrophobicContact CD1-CB 4.05Å; L327-P352 HydrophobicContact CD1-CG 3.94Å; L327-P352 HydrophobicContact CG-CB 4.47Å; L327-P352 HydrophobicContact CG-CG 4.39Å; L332-P352 HydrophobicContact CD1-CB 4.41Å; L343-P352 HydrophobicContact CD1-CG 3.81Å; F348-P352 HydrophobicContact CE1-CG 4.49Å; P352-Q358 PolarHBondContact O-NE2 3.35Å; P352-M367 HydrophobicContact CG-CE 4.19Å
353	S	88.4	Confident	95.9	Very high	63 Å²	63	40.4 Å²	40.4	44%	0.441	22%	0.216	S	C	.	.	S	Bend	trans	-72.4	157	175.5	59.8	0	0	0	0	111.4	F351 Q358	F351-S353 PolarHBondContact O-N 2.93Å; S353-Q358 PolarHBondContact O-OE1 3.19Å
354	G	87.2	Confident	95.9	Very high	30 Å²	30	42 Å²	42	31%	0.309	23%	0.227	S	C	.	.	S	Bend	trans	127.8	0.7	179.9	0	0	0	0	0	115.5
355	G	92.7	Very high	95.9	Very high	27 Å²	27	41.9 Å²	41.9	28%	0.278	23%	0.226	S	C	.	.			trans	68.3	-168.5	177.1	0	0	0	0	0	113.3	Q357 Q358	G355-Q357 VanDerWaalsContact C-N 3.31Å; G355-Q357 PolarHBondContact O-N 3.01Å; G355-Q358 VanDerWaalsContact O-CG 3.28Å; G355-Q358 WeakPolarHBondContact O-CG 3.33Å; G355-Q358 PolarHBondContact O-NE2 2.88Å
356	P	95.6	Very high	95.9	Very high	28 Å²	28	37.8 Å²	37.8	18%	0.182	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-72.1	-17.9	-175	25.2	-33.4	0	0	0	115.6	Q358 F359 G378 I379 S381 R382	P356-Q358 PolarHBondContact O-N 3.15Å; P356-F359 PolarHBondContact O-N 3.45Å; P356-G378 WeakPolarHBondContact CB-O 3.35Å; P356-I379 VanDerWaalsContact CA-O 3.28Å; P356-I379 WeakPolarHBondContact CA-O 3.37Å; P356-S381 WeakPolarHBondContact CB-OG 3.4Å; P356-R382 HydrophobicContact CB-CB 4.17Å; P356-R382 HydrophobicContact CB-CG 4.06Å; P356-R382 HydrophobicContact CG-CG 4.42Å
357	Q	95.1	Very high	95.9	Very high	76 Å²	76	37.3 Å²	37.3	36%	0.355	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-60.6	-27.9	-179.8	-69.7	80.1	-9.1	0	0	112.3	T333 G355 F359 T360	T333-Q357 HydrophobicContact CG2-CB 4.14Å; G355-Q357 VanDerWaalsContact C-N 3.31Å; G355-Q357 PolarHBondContact O-N 3.01Å; Q357-F359 PolarHBondContact O-N 3.36Å; Q357-T360 WeakPolarHBondContact O-CG2 3.49Å; Q357-T360 PolarHBondContact O-N 3.3Å; Q357-T360 PolarHBondContact O-OG1 3.43Å
358	Q	95.8	Very high	95.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-68.3	-20.9	-175.8	83.6	-176.8	-65.8	0	0	113.9	L332 P352 S353 G355 P356 I362	L332-Q358 HydrophobicContact CB-CB 3.77Å; L332-Q358 HydrophobicContact CB-CG 4.31Å; P352-Q358 PolarHBondContact O-NE2 3.35Å; S353-Q358 PolarHBondContact O-OE1 3.19Å; G355-Q358 VanDerWaalsContact O-CG 3.28Å; G355-Q358 WeakPolarHBondContact O-CG 3.33Å; G355-Q358 PolarHBondContact O-NE2 2.88Å; P356-Q358 PolarHBondContact O-N 3.15Å; Q358-I362 WeakPolarHBondContact O-CD1 3.47Å
359	F	96.3	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-103.4	13.4	-177.2	-61.9	-69.3	0	0	0	113.7	L332 P356 Q357 S361 I362 L365 I379 F380 A383	L332-F359 HydrophobicContact CD1-CE1 4.27Å; P356-F359 PolarHBondContact O-N 3.45Å; Q357-F359 PolarHBondContact O-N 3.36Å; F359-S361 PolarHBondContact O-N 3.31Å; F359-I362 HydrophobicContact CD1-CB 4.44Å; F359-I362 HydrophobicContact CD1-CD1 3.53Å; F359-I362 HydrophobicContact CE1-CD1 4Å; F359-I362 HydrophobicContact CG-CD1 4.48Å; F359-L365 HydrophobicContact CD1-CD2 4.22Å; F359-L365 HydrophobicContact CE1-CD1 4.29Å; F359-L365 HydrophobicContact CE1-CD2 3.59Å; F359-L365 HydrophobicContact CZ-CD2 4.13Å; F359-I379 HydrophobicContact CD2-CG1 4.2Å; F359-I379 WeakPolarHBondContact CD2-O 3.4Å; F359-I379 HydrophobicContact CE2-CD1 4.22Å; F359-I379 HydrophobicContact CE2-CG1 3.68Å; F359-F380 HydrophobicContact CB-CD1 4.32Å; F359-F380 HydrophobicContact CD1-CE1 4.08Å; F359-F380 AromaticContact CD2-CD1 3.86Å; F359-F380 HydrophobicContact CD2-CD1 3.86Å; F359-F380 AromaticContact CD2-CE1 3.87Å; F359-F380 HydrophobicContact CD2-CE1 3.87Å; F359-F380 HydrophobicContact CE1-CE1 4.2Å; F359-F380 HydrophobicContact CE2-CD1 4.36Å; F359-F380 AromaticContact CE2-CE1 3.97Å; F359-F380 HydrophobicContact CE2-CE1 3.97Å; F359-F380 AromaticContact CG-CD1 3.97Å; F359-F380 HydrophobicContact CG-CD1 3.97Å; F359-F380 AromaticContact CG-CE1 3.96Å; F359-F380 HydrophobicContact CG-CE1 3.96Å; F359-F380 HydrophobicContact CZ-CE1 4.15Å; F359-A383 HydrophobicContact CB-CB 3.75Å; F359-A383 WeakPolarHBondContact O-CA 3.3Å
360	T	96.1	Very high	96	Very high	60 Å²	60	34.1 Å²	34.1	37%	0.368	20%	0.195	S	C	.	.	S	Bend	trans	-68.6	-33.7	-174.9	50.4	0	0	0	0	114.4	Q357 R382 N385	Q357-T360 WeakPolarHBondContact O-CG2 3.49Å; Q357-T360 PolarHBondContact O-N 3.3Å; Q357-T360 PolarHBondContact O-OG1 3.43Å; T360-R382 HydrophobicContact CG2-CB 3.94Å; T360-N385 PolarHBondContact O-ND2 3.31Å
361	S	96.7	Very high	96.1	Very high	24 Å²	24	34.1 Å²	34.1	17%	0.168	19%	0.193	C	C	.	.	S	Bend	trans	-95.2	-16	176.6	57.5	0	0	0	0	114.2	K336 V338 F359	K336-S361 WeakPolarHBondContact O-CB 3.33Å; V338-S361 CarbonylContact O-C 3.32Å; V338-S361 WeakPolarHBondContact O-CB 3.46Å; V338-S361 PolarHBondContact O-OG 2.86Å; F359-S361 PolarHBondContact O-N 3.31Å
362	I	98.3	Very high	96.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.191	C	C	.	.			trans	-76.5	129.5	-169.3	-63.9	172.9	0	0	0	110	L332 V341 Q358 F359 S364 L365 N385 L386	L332-I362 HydrophobicContact CD1-CD1 4.41Å; V341-I362 HydrophobicContact CB-CD1 4.38Å; V341-I362 HydrophobicContact CG2-CD1 3.51Å; V341-I362 HydrophobicContact CG2-CG1 3.95Å; V341-I362 HydrophobicContact CG2-CG2 4.43Å; Q358-I362 WeakPolarHBondContact O-CD1 3.47Å; F359-I362 HydrophobicContact CD1-CB 4.44Å; F359-I362 HydrophobicContact CD1-CD1 3.53Å; F359-I362 HydrophobicContact CE1-CD1 4Å; F359-I362 HydrophobicContact CG-CD1 4.48Å; I362-S364 WeakPolarHBondContact CG2-O 3.39Å; I362-L365 HydrophobicContact CG2-CB 4.36Å; I362-N385 CarbonylContact O-C 3.29Å; I362-L386 HydrophobicContact CG2-CD1 4.11Å; I362-L386 WeakPolarHBondContact O-CA 3.21Å; I362-L386 PolarHBondContact O-N 3.08Å
363	Q	98.7	Very high	96.5	Very high	100 Å²	100	36.5 Å²	36.5	47%	0.467	21%	0.209	S	C	.	.	S	Bend	trans	-102.3	-34.3	175.5	-63.9	177.1	5	0	0	112.5	S339 N385 T387 K388	S339-Q363 WeakPolarHBondContact O-CA 3.27Å; S339-Q363 PolarHBondContact O-N 3.09Å; Q363-N385 VanDerWaalsContact CA-O 3.29Å; Q363-N385 WeakPolarHBondContact CA-O 3.12Å; Q363-N385 HydrophobicContact CG-CB 4.18Å; Q363-T387 PolarHBondContact O-N 3.38Å; Q363-T387 PolarHBondContact O-OG1 3.44Å; Q363-T387 VanDerWaalsContact O-OG1 3.11Å; Q363-K388 PolarHBondContact O-N 3.3Å; Q363-K388 VanDerWaalsContact O-N 3.07Å
364	S	98.8	Very high	96.9	Very high	32 Å²	32	41.9 Å²	41.9	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.1	179.6	-179	0	0	0	0	110.5	S339 V341 I362 K388	S339-S364 PolarHBondContact O-N 3.13Å; V341-S364 PolarHBondContact N-O 3.26Å; I362-S364 WeakPolarHBondContact CG2-O 3.39Å; S364-K388 WeakPolarHBondContact CA-O 3.39Å
365	L	98.7	Very high	97.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.1	173.9	178.3	62.5	0	0	0	110	V341 L343 F359 I362 M367 F380 L386 K388 L389 N390	V341-L365 HydrophobicContact CB-CD1 3.9Å; V341-L365 HydrophobicContact CG1-CD1 3.8Å; V341-L365 WeakPolarHBondContact O-CA 3.3Å; L343-L365 HydrophobicContact CD1-CD1 4.48Å; F359-L365 HydrophobicContact CD1-CD2 4.22Å; F359-L365 HydrophobicContact CE1-CD1 4.29Å; F359-L365 HydrophobicContact CE1-CD2 3.59Å; F359-L365 HydrophobicContact CZ-CD2 4.13Å; I362-L365 HydrophobicContact CG2-CB 4.36Å; L365-M367 HydrophobicContact CD1-CG 3.9Å; L365-M367 HydrophobicContact CD1-SD 4.29Å; L365-M367 HydrophobicContact CD2-CG 4.37Å; L365-M367 HydrophobicContact CD2-SD 4.01Å; L365-M367 HydrophobicContact CG-CG 3.96Å; L365-M367 HydrophobicContact CG-SD 4.27Å; L365-F380 HydrophobicContact CD2-CE1 3.81Å; L365-F380 HydrophobicContact CD2-CZ 3.83Å; L365-L386 HydrophobicContact CB-CD1 3.98Å; L365-K388 PolarHBondContact N-O 3.44Å; L365-L389 HydrophobicContact CB-CD1 4.05Å; L365-L389 HydrophobicContact CD2-CD1 3.84Å; L365-L389 HydrophobicContact CG-CD1 4.06Å; L365-L389 WeakPolarHBondContact O-CA 3.45Å; L365-N390 PolarHBondContact O-N 3.25Å
366	N	98.8	Very high	97.5	Very high	32 Å²	32	41.9 Å²	41.9	17%	0.171	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.2	173.9	-174.1	-6.6	0	0	0	110.4	V341 T342 L343 E368 N390	V341-N366 PolarHBondContact O-N 3.25Å; T342-N366 HydrophobicContact CG2-CB 4.22Å; L343-N366 PolarHBondContact N-O 3.42Å; N366-E368 VanDerWaalsContact OD1-CB 3.23Å; N366-E368 WeakPolarHBondContact OD1-CB 3.35Å; N366-E368 PolarHBondContact OD1-N 2.98Å; N366-N390 HydrophobicContact CB-CB 4.4Å
367	M	98.4	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.			trans	-124.2	25	176.7	-58.2	-172.9	78.7	0	0	111.5	L343 F351 P352 L365 N370 I372 N390 N394	L343-M367 HydrophobicContact CB-CG 4.39Å; L343-M367 HydrophobicContact CD1-CE 3.79Å; L343-M367 HydrophobicContact CD1-CG 4.21Å; L343-M367 HydrophobicContact CD1-SD 4.41Å; F351-M367 HydrophobicContact CD1-CE 4.41Å; F351-M367 HydrophobicContact CD1-SD 3.96Å; F351-M367 HydrophobicContact CE1-SD 3.61Å; F351-M367 HydrophobicContact CZ-SD 4.07Å; P352-M367 HydrophobicContact CG-CE 4.19Å; L365-M367 HydrophobicContact CD1-CG 3.9Å; L365-M367 HydrophobicContact CD1-SD 4.29Å; L365-M367 HydrophobicContact CD2-CG 4.37Å; L365-M367 HydrophobicContact CD2-SD 4.01Å; L365-M367 HydrophobicContact CG-CG 3.96Å; L365-M367 HydrophobicContact CG-SD 4.27Å; M367-N370 PolarHBondContact O-ND2 3.38Å; M367-I372 HydrophobicContact CB-CD1 3.92Å; M367-I372 HydrophobicContact CE-CD1 3.35Å; M367-I372 HydrophobicContact SD-CD1 3.98Å; M367-N390 PolarHBondContact N-O 3.34Å; M367-N394 PolarHBondContact O-ND2 3.21Å
368	E	98.5	Very high	97.6	Very high	33 Å²	33	45 Å²	45	15%	0.154	22%	0.221	C	C	.	.			trans	-60.4	151.5	-178.9	-176.9	-177.4	177.1	0	0	112.9	S344 R345 N366 N370 N390 K392 D393	S344-E368 CarbonylContact C-O 3.46Å; S344-E368 WeakPolarHBondContact CA-O 3.5Å; S344-E368 VanDerWaalsContact CB-O 3.27Å; S344-E368 WeakPolarHBondContact CB-O 3.36Å; R345-E368 PolarHBondContact N-O 2.81Å; N366-E368 VanDerWaalsContact OD1-CB 3.23Å; N366-E368 WeakPolarHBondContact OD1-CB 3.35Å; N366-E368 PolarHBondContact OD1-N 2.98Å; E368-N370 PolarHBondContact O-ND2 2.76Å; E368-N390 PolarHBondContact OE2-ND2 3.09Å; E368-K392 CarbonylContact C-O 3.09Å; E368-K392 WeakPolarHBondContact CA-O 3.3Å; E368-K392 HydrophobicContact CG-CB 3.85Å; E368-K392 HydrophobicContact CG-CG 4.09Å; E368-K392 WeakPolarHBondContact CG-O 3.5Å; E368-K392 IonicContact OE1-NZ 2.86Å; E368-K392 PolarHBondContact OE1-NZ 2.71Å; E368-D393 HydrophobicContact CG-CB 4.48Å
369	Y	98.7	Very high	97.6	Very high	91 Å²	91	45.4 Å²	45.4	36%	0.357	22%	0.224	S	C	.	.	S	Bend	trans	56.3	60.3	177.8	-76.4	-69.7	0	0	0	111.7	R345 N346 K392 D393	R345-Y369 VanDerWaalsContact CA-O 3.22Å; R345-Y369 WeakPolarHBondContact CA-O 3.22Å; R345-Y369 HydrophobicContact CG-CD2 4.22Å; R345-Y369 HydrophobicContact CG-CG 4.28Å; R345-Y369 PolarHBondContact N-O 3.18Å; N346-Y369 PolarHBondContact N-O 2.73Å; Y369-K392 PolarHBondContact N-O 3Å; Y369-K392 PolarHBondContact OH-NZ 3.01Å; Y369-D393 VanDerWaalsContact CA-O 3.27Å; Y369-D393 WeakPolarHBondContact CA-O 3.3Å; Y369-D393 HydrophobicContact CD1-CB 3.52Å; Y369-D393 HydrophobicContact CD2-CB 4.37Å; Y369-D393 HydrophobicContact CE1-CB 3.66Å; Y369-D393 WeakPolarHBondContact CE1-OD1 3.15Å; Y369-D393 HydrophobicContact CE2-CB 4.48Å; Y369-D393 HydrophobicContact CG-CB 3.87Å; Y369-D393 VanDerWaalsContact CZ-OD2 3.28Å; Y369-D393 PolarHBondContact N-O 3.13Å; Y369-D393 PolarHBondContact OH-OD2 3.42Å
370	N	98.7	Very high	97.6	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	23%	0.225	C	C	.	.	S	Bend	trans	-132.9	-167	173.6	-83.3	-73.7	0	0	0	109.3	L343 N346 Y347 F348 M367 E368 I372 D393 N394	L343-N370 PolarHBondContact O-ND2 3.37Å; N346-N370 WeakPolarHBondContact CA-OD1 3.11Å; N346-N370 WeakPolarHBondContact CB-OD1 3.43Å; N346-N370 PolarHBondContact N-OD1 3.4Å; N346-N370 PolarHBondContact O-OD1 3.1Å; N346-N370 VanDerWaalsContact O-OD1 3.08Å; Y347-N370 PolarHBondContact N-OD1 2.88Å; F348-N370 HydrophobicContact CB-CB 4.23Å; F348-N370 WeakPolarHBondContact CB-OD1 3.22Å; F348-N370 WeakPolarHBondContact CD2-OD1 3.35Å; F348-N370 PolarHBondContact N-OD1 3.39Å; M367-N370 PolarHBondContact O-ND2 3.38Å; E368-N370 PolarHBondContact O-ND2 2.76Å; N370-I372 HydrophobicContact CB-CD1 4.24Å; N370-I372 HydrophobicContact CB-CG1 4.12Å; N370-D393 PolarHBondContact N-O 2.99Å; N370-D393 VanDerWaalsContact N-O 3.08Å; N370-N394 WeakPolarHBondContact CA-OD1 3.45Å; N370-N394 WeakPolarHBondContact CB-OD1 3.37Å; N370-N394 PolarHBondContact O-OD1 2.9Å
371	Q	98.1	Very high	97.6	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	23%	0.229	S	C	.	.			trans	-119.8	27.7	-179	-58.2	-179.9	17.9	0	0	111.3	F348 N349 T373 N394	F348-Q371 CarbonylContact O-C 3.2Å; F348-Q371 VanDerWaalsContact O-C 3.24Å; F348-Q371 WeakPolarHBondContact O-CA 3.46Å; F348-Q371 PolarHBondContact O-N 2.68Å; N349-Q371 WeakPolarHBondContact CA-O 3.45Å; N349-Q371 HydrophobicContact CB-CB 4.38Å; Q371-T373 PolarHBondContact O-N 3.41Å; Q371-N394 PolarHBondContact N-OD1 2.99Å
372	I	98.4	Very high	97.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.			trans	-69.9	124.4	-173.5	-60.5	168.4	0	0	0	109.5	F348 F351 M367 N370 N394 Q395 I396	F348-I372 HydrophobicContact CB-CD1 4.44Å; F348-I372 HydrophobicContact CB-CG1 4.18Å; F348-I372 WeakPolarHBondContact O-CG1 3.38Å; F348-I372 PolarHBondContact O-N 2.86Å; F351-I372 HydrophobicContact CD2-CG2 3.64Å; F351-I372 HydrophobicContact CE2-CD1 4.44Å; F351-I372 HydrophobicContact CE2-CG2 3.51Å; M367-I372 HydrophobicContact CB-CD1 3.92Å; M367-I372 HydrophobicContact CE-CD1 3.35Å; M367-I372 HydrophobicContact SD-CD1 3.98Å; N370-I372 HydrophobicContact CB-CD1 4.24Å; N370-I372 HydrophobicContact CB-CG1 4.12Å; I372-N394 HydrophobicContact CB-CB 4.39Å; I372-N394 VanDerWaalsContact CB-OD1 3.23Å; I372-N394 WeakPolarHBondContact CB-OD1 3.24Å; I372-N394 WeakPolarHBondContact CG1-OD1 3.41Å; I372-N394 PolarHBondContact N-OD1 2.84Å; I372-Q395 CarbonylContact O-C 3.19Å; I372-Q395 VanDerWaalsContact O-CA 3.31Å; I372-Q395 WeakPolarHBondContact O-CA 3.25Å; I372-Q395 PolarHBondContact O-N 3.13Å; I372-I396 HydrophobicContact CG2-CG1 4.37Å; I372-I396 WeakPolarHBondContact O-CG1 3.36Å; I372-I396 PolarHBondContact O-N 2.92Å
373	T	97.7	Very high	97.5	Very high	68 Å²	68	51.6 Å²	51.6	42%	0.417	25%	0.248	S	C	.	.			trans	-95.1	-23.6	-176.1	54.2	0	0	0	0	113.9	Q371 Q395	Q371-T373 PolarHBondContact O-N 3.41Å; T373-Q395 WeakPolarHBondContact CA-O 3.32Å; T373-Q395 HydrophobicContact CG2-CB 4.11Å
374	R	97	Very high	97.4	Very high	175 Å²	175	51.2 Å²	51.2	66%	0.66	26%	0.256	S	S	*	.			trans	-156.3	149.9	-177.2	61.6	-179.2	172.4	175.4	-2.7	112.2	F351	F351-R374 VanDerWaalsContact CD2-O 3.26Å; F351-R374 WeakPolarHBondContact CD2-O 3.47Å
375	I	96.9	Very high	97.4	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.046	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-93.3	124.7	169.3	-50.5	171.5	0	0	0	107.8	F351 I379 F380 M391 I396 P400 W406	F351-I375 HydrophobicContact CE1-CG2 4.4Å; F351-I375 HydrophobicContact CE2-CB 3.93Å; F351-I375 HydrophobicContact CE2-CG1 3.64Å; F351-I375 HydrophobicContact CE2-CG2 4.04Å; F351-I375 HydrophobicContact CZ-CB 4.19Å; F351-I375 HydrophobicContact CZ-CG1 3.83Å; F351-I375 HydrophobicContact CZ-CG2 3.87Å; I375-I379 HydrophobicContact CG2-CG2 3.81Å; I375-F380 HydrophobicContact CG2-CD2 4.49Å; I375-F380 HydrophobicContact CG2-CE2 4.01Å; I375-M391 HydrophobicContact CD1-CE 3.4Å; I375-M391 VanDerWaalsContact CD1-CE 3.4Å; I375-M391 HydrophobicContact CD1-SD 3.56Å; I375-M391 VanDerWaalsContact CD1-SD 3.56Å; I375-M391 HydrophobicContact CG1-CE 4.44Å; I375-M391 HydrophobicContact CG1-SD 3.98Å; I375-I396 HydrophobicContact CD1-CD1 4.25Å; I375-I396 HydrophobicContact CD1-CG2 4.49Å; I375-I396 HydrophobicContact CG1-CD1 4.11Å; I375-I396 HydrophobicContact CG1-CG2 4.42Å; I375-P400 HydrophobicContact CB-CG 4.09Å; I375-P400 HydrophobicContact CG2-CG 4.02Å; I375-W406 HydrophobicContact CD1-CH2 3.66Å; I375-W406 HydrophobicContact CD1-CZ2 4.32Å; I375-W406 HydrophobicContact CG2-CH2 4.5Å; I375-W406 HydrophobicContact CG2-CZ2 4.12Å
376	P	96.2	Very high	97.4	Very high	49 Å²	49	53.3 Å²	53.3	32%	0.318	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-66	143.6	-179.5	-19.3	29.8	0	0	0	112.7	F351 G378 I379	F351-P376 HydrophobicContact CB-CG 3.76Å; F351-P376 VanDerWaalsContact CD2-CD 3.44Å; F351-P376 HydrophobicContact CD2-CG 4.39Å; F351-P376 VanDerWaalsContact CG-CD 3.5Å; F351-P376 HydrophobicContact CG-CG 4.16Å; P376-G378 PolarHBondContact O-N 2.75Å; P376-I379 HydrophobicContact CB-CB 4.19Å; P376-I379 WeakPolarHBondContact O-CB 3.47Å; P376-I379 WeakPolarHBondContact O-CG2 3.33Å; P376-I379 PolarHBondContact O-N 3.02Å
377	F	96.5	Very high	97.4	Very high	156 Å²	156	54 Å²	54	68%	0.684	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	133.4	173.9	176.6	-92.3	0	0	0	111.1	I379 P401 D402	F377-I379 PolarHBondContact O-N 3.22Å; F377-P401 HydrophobicContact CD2-CB 4.35Å; F377-P401 HydrophobicContact CE2-CB 4.4Å; F377-D402 WeakPolarHBondContact CA-OD1 3.15Å; F377-D402 HydrophobicContact CD2-CB 3.93Å; F377-D402 VanDerWaalsContact CD2-OD1 3.29Å; F377-D402 WeakPolarHBondContact CD2-OD1 3.27Å; F377-D402 HydrophobicContact CE2-CB 3.63Å; F377-D402 HydrophobicContact CZ-CB 4.25Å
378	G	96	Very high	97.4	Very high	12 Å²	12	58.1 Å²	58.1	12%	0.124	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0	174.9	0	0	0	0	0	114.4	P356 P376 F380 S381 D402	P356-G378 WeakPolarHBondContact CB-O 3.35Å; P376-G378 PolarHBondContact O-N 2.75Å; G378-F380 PolarHBondContact O-N 3Å; G378-S381 VanDerWaalsContact O-CB 3.25Å; G378-S381 WeakPolarHBondContact O-CB 3.38Å; G378-S381 PolarHBondContact O-N 3.02Å; G378-S381 PolarHBondContact O-OG 3.21Å; G378-D402 WeakPolarHBondContact CA-OD2 3.21Å; G378-D402 PolarHBondContact N-OD1 3.07Å; G378-D402 VanDerWaalsContact N-OD1 3.11Å; G378-D402 PolarHBondContact N-OD2 2.92Å
379	I	96.4	Very high	97.4	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.062	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.9	-170	-161.3	65.8	0	0	0	112.9	P356 F359 I375 P376 F377	P356-I379 VanDerWaalsContact CA-O 3.28Å; P356-I379 WeakPolarHBondContact CA-O 3.37Å; F359-I379 HydrophobicContact CD2-CG1 4.2Å; F359-I379 WeakPolarHBondContact CD2-O 3.4Å; F359-I379 HydrophobicContact CE2-CD1 4.22Å; F359-I379 HydrophobicContact CE2-CG1 3.68Å; I375-I379 HydrophobicContact CG2-CG2 3.81Å; P376-I379 HydrophobicContact CB-CB 4.19Å; P376-I379 WeakPolarHBondContact O-CB 3.47Å; P376-I379 WeakPolarHBondContact O-CG2 3.33Å; P376-I379 PolarHBondContact O-N 3.02Å; F377-I379 PolarHBondContact O-N 3.22Å
380	F	96.9	Very high	97.4	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	9.4	177.3	-60	-54.5	0	0	0	113.6	F351 F359 L365 I375 G378 R382 A383 L386 L389 W406	F351-F380 HydrophobicContact CE1-CE2 4.32Å; F351-F380 AromaticContact CE1-CZ 3.8Å; F351-F380 HydrophobicContact CE1-CZ 3.8Å; F351-F380 HydrophobicContact CZ-CZ 4.5Å; F359-F380 HydrophobicContact CB-CD1 4.32Å; F359-F380 HydrophobicContact CD1-CE1 4.08Å; F359-F380 AromaticContact CD2-CD1 3.86Å; F359-F380 HydrophobicContact CD2-CD1 3.86Å; F359-F380 AromaticContact CD2-CE1 3.87Å; F359-F380 HydrophobicContact CD2-CE1 3.87Å; F359-F380 HydrophobicContact CE1-CE1 4.2Å; F359-F380 HydrophobicContact CE2-CD1 4.36Å; F359-F380 AromaticContact CE2-CE1 3.97Å; F359-F380 HydrophobicContact CE2-CE1 3.97Å; F359-F380 AromaticContact CG-CD1 3.97Å; F359-F380 HydrophobicContact CG-CD1 3.97Å; F359-F380 AromaticContact CG-CE1 3.96Å; F359-F380 HydrophobicContact CG-CE1 3.96Å; F359-F380 HydrophobicContact CZ-CE1 4.15Å; L365-F380 HydrophobicContact CD2-CE1 3.81Å; L365-F380 HydrophobicContact CD2-CZ 3.83Å; I375-F380 HydrophobicContact CG2-CD2 4.49Å; I375-F380 HydrophobicContact CG2-CE2 4.01Å; G378-F380 PolarHBondContact O-N 3Å; F380-R382 PolarHBondContact O-N 3.11Å; F380-A383 HydrophobicContact CB-CB 3.99Å; F380-A383 HydrophobicContact CD1-CB 4.12Å; F380-A383 WeakPolarHBondContact O-CB 3.38Å; F380-A383 PolarHBondContact O-N 2.99Å; F380-L386 HydrophobicContact CD1-CD2 3.69Å; F380-L386 HydrophobicContact CE1-CD2 3.83Å; F380-L386 HydrophobicContact CG-CD2 4.12Å; F380-L386 HydrophobicContact CZ-CD2 4.35Å; F380-L389 HydrophobicContact CD2-CD2 4.44Å; F380-L389 HydrophobicContact CE2-CD1 4.5Å; F380-L389 HydrophobicContact CE2-CD2 3.73Å; F380-L389 HydrophobicContact CZ-CD1 4.04Å; F380-L389 HydrophobicContact CZ-CD2 4.09Å; F380-W406 HydrophobicContact CD2-CD2 4.37Å; F380-W406 AromaticContact CD2-CE2 3.64Å; F380-W406 AromaticContact CD2-CZ2 3.73Å; F380-W406 HydrophobicContact CD2-CZ2 3.73Å; F380-W406 AromaticContact CD2-NE1 3.65Å; F380-W406 HydrophobicContact CE2-CZ2 4.12Å
381	S	95.9	Very high	97.4	Very high	66 Å²	66	53.2 Å²	53.2	46%	0.462	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.6	-177.5	60.8	0	0	0	0	115.1	P356 G378	P356-S381 WeakPolarHBondContact CB-OG 3.4Å; G378-S381 VanDerWaalsContact O-CB 3.25Å; G378-S381 WeakPolarHBondContact O-CB 3.38Å; G378-S381 PolarHBondContact O-N 3.02Å; G378-S381 PolarHBondContact O-OG 3.21Å
382	R	96.2	Very high	97.4	Very high	139 Å²	139	51.2 Å²	51.2	53%	0.525	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	8.2	174.5	-62.5	-173.6	174.8	-163	-1.3	113.6	P356 T360 F380 S384	P356-R382 HydrophobicContact CB-CB 4.17Å; P356-R382 HydrophobicContact CB-CG 4.06Å; P356-R382 HydrophobicContact CG-CG 4.42Å; T360-R382 HydrophobicContact CG2-CB 3.94Å; F380-R382 PolarHBondContact O-N 3.11Å; R382-S384 PolarHBondContact O-N 2.87Å
383	A	96.8	Very high	97.5	Very high	6 Å²	6	52.9 Å²	52.9	5%	0.05	27%	0.268	C	S	.	.			trans	-85.3	56.5	-175.6	0	0	0	0	0	111.3	F359 F380 N385 L386 S408	F359-A383 HydrophobicContact CB-CB 3.75Å; F359-A383 WeakPolarHBondContact O-CA 3.3Å; F380-A383 HydrophobicContact CB-CB 3.99Å; F380-A383 HydrophobicContact CD1-CB 4.12Å; F380-A383 WeakPolarHBondContact O-CB 3.38Å; F380-A383 PolarHBondContact O-N 2.99Å; A383-N385 PolarHBondContact O-N 3.03Å; A383-N385 VanDerWaalsContact O-N 3.08Å; A383-L386 HydrophobicContact CB-CB 3.86Å; A383-L386 HydrophobicContact CB-CD2 4.25Å; A383-L386 WeakPolarHBondContact O-CB 3.22Å; A383-L386 PolarHBondContact O-N 3.16Å; A383-L386 VanDerWaalsContact O-N 3.12Å; A383-S408 PolarHBondContact O-OG 2.78Å; A383-S408 VanDerWaalsContact O-OG 3.09Å
384	S	96.2	Very high	97.5	Very high	92 Å²	92	50.1 Å²	50.1	64%	0.643	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.3	-173.4	59.1	0	0	0	0	114.7	R382 S408	R382-S384 PolarHBondContact O-N 2.87Å; S384-S408 WeakPolarHBondContact O-CB 3.41Å
385	N	97.9	Very high	97.6	Very high	74 Å²	74	45.7 Å²	45.7	40%	0.396	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.1	179.2	-64.5	-48.8	0	0	0	112.7	T360 I362 Q363 A383 T387	T360-N385 PolarHBondContact O-ND2 3.31Å; I362-N385 CarbonylContact O-C 3.29Å; Q363-N385 VanDerWaalsContact CA-O 3.29Å; Q363-N385 WeakPolarHBondContact CA-O 3.12Å; Q363-N385 HydrophobicContact CG-CB 4.18Å; A383-N385 PolarHBondContact O-N 3.03Å; A383-N385 VanDerWaalsContact O-N 3.08Å; N385-T387 PolarHBondContact O-N 2.97Å; N385-T387 VanDerWaalsContact O-N 3.14Å
386	L	98.6	Very high	97.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.236	C	C	.	.			trans	-72.6	109.6	-174.2	-176.2	68.4	0	0	0	109.4	I362 L365 F380 A383 K388 S408 L409	I362-L386 HydrophobicContact CG2-CD1 4.11Å; I362-L386 WeakPolarHBondContact O-CA 3.21Å; I362-L386 PolarHBondContact O-N 3.08Å; L365-L386 HydrophobicContact CB-CD1 3.98Å; F380-L386 HydrophobicContact CD1-CD2 3.69Å; F380-L386 HydrophobicContact CE1-CD2 3.83Å; F380-L386 HydrophobicContact CG-CD2 4.12Å; F380-L386 HydrophobicContact CZ-CD2 4.35Å; A383-L386 HydrophobicContact CB-CB 3.86Å; A383-L386 HydrophobicContact CB-CD2 4.25Å; A383-L386 WeakPolarHBondContact O-CB 3.22Å; A383-L386 PolarHBondContact O-N 3.16Å; A383-L386 VanDerWaalsContact O-N 3.12Å; L386-K388 WeakPolarHBondContact CD1-O 3.42Å; L386-S408 CarbonylContact O-C 3.09Å; L386-S408 WeakPolarHBondContact O-CB 3.41Å; L386-S408 PolarHBondContact O-OG 2.97Å; L386-L409 HydrophobicContact CD2-CD2 4.26Å; L386-L409 HydrophobicContact CG-CD2 3.96Å; L386-L409 PolarHBondContact O-N 2.86Å
387	T	98.8	Very high	97.7	Very high	48 Å²	48	44.3 Å²	44.3	29%	0.294	23%	0.234	S	C	.	.			trans	-106.3	-29.3	-179.1	55	0	0	0	0	112.1	Q363 N385 V410 E411	Q363-T387 PolarHBondContact O-N 3.38Å; Q363-T387 PolarHBondContact O-OG1 3.44Å; Q363-T387 VanDerWaalsContact O-OG1 3.11Å; N385-T387 PolarHBondContact O-N 2.97Å; N385-T387 VanDerWaalsContact O-N 3.14Å; T387-V410 HydrophobicContact CG2-CG2 4.22Å; T387-V410 PolarHBondContact O-N 3.06Å; T387-E411 PolarHBondContact O-N 3.17Å
388	K	98.9	Very high	97.8	Very high	85 Å²	85	39.7 Å²	39.7	37%	0.37	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	-179.2	-56.1	-171.6	177.6	-132.4	0	111.2	Q363 S364 L365 L386 E411	Q363-K388 PolarHBondContact O-N 3.3Å; Q363-K388 VanDerWaalsContact O-N 3.07Å; S364-K388 WeakPolarHBondContact CA-O 3.39Å; L365-K388 PolarHBondContact N-O 3.44Å; L386-K388 WeakPolarHBondContact CD1-O 3.42Å; K388-E411 WeakPolarHBondContact CA-O 3.34Å; K388-E411 HydrophobicContact CB-CB 4.5Å; K388-E411 WeakPolarHBondContact CD-OE2 3.34Å; K388-E411 WeakPolarHBondContact CE-OE1 3.47Å; K388-E411 WeakPolarHBondContact CE-OE2 3.31Å; K388-E411 HydrophobicContact CG-CB 4.19Å; K388-E411 HydrophobicContact CG-CG 4.38Å; K388-E411 IonicContact NZ-OE1 3.01Å; K388-E411 PolarHBondContact NZ-OE1 2.6Å; K388-E411 IonicContact NZ-OE2 3.3Å; K388-E411 PolarHBondContact NZ-OE2 2.83Å
389	L	98.8	Very high	97.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.1	175.2	179.9	58.7	0	0	0	109.9	L365 F380 M391 W406 L409 E411 L412 N413	L365-L389 HydrophobicContact CB-CD1 4.05Å; L365-L389 HydrophobicContact CD2-CD1 3.84Å; L365-L389 HydrophobicContact CG-CD1 4.06Å; L365-L389 WeakPolarHBondContact O-CA 3.45Å; F380-L389 HydrophobicContact CD2-CD2 4.44Å; F380-L389 HydrophobicContact CE2-CD1 4.5Å; F380-L389 HydrophobicContact CE2-CD2 3.73Å; F380-L389 HydrophobicContact CZ-CD1 4.04Å; F380-L389 HydrophobicContact CZ-CD2 4.09Å; L389-M391 HydrophobicContact CD1-CE 4.4Å; L389-M391 HydrophobicContact CD1-CG 3.88Å; L389-M391 HydrophobicContact CD1-SD 4Å; L389-M391 HydrophobicContact CD2-CE 3.54Å; L389-M391 HydrophobicContact CD2-SD 4.01Å; L389-M391 HydrophobicContact CG-CE 3.78Å; L389-M391 HydrophobicContact CG-CG 4.09Å; L389-M391 HydrophobicContact CG-SD 4.05Å; L389-W406 HydrophobicContact CD2-CE3 4.44Å; L389-W406 HydrophobicContact CD2-CH2 4.4Å; L389-W406 HydrophobicContact CD2-CZ3 4.11Å; L389-L409 HydrophobicContact CB-CD2 3.79Å; L389-L409 HydrophobicContact CD2-CD1 4.46Å; L389-E411 PolarHBondContact N-O 3.14Å; L389-L412 HydrophobicContact CB-CD1 4.13Å; L389-L412 HydrophobicContact CD2-CD1 3.99Å; L389-L412 HydrophobicContact CG-CD1 4.1Å; L389-N413 PolarHBondContact O-N 2.83Å
390	N	98.9	Very high	97.9	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.7	174.3	-176.1	4.9	0	0	0	110	L365 N366 M367 E368 K392 N413	L365-N390 PolarHBondContact O-N 3.25Å; N366-N390 HydrophobicContact CB-CB 4.4Å; M367-N390 PolarHBondContact N-O 3.34Å; E368-N390 PolarHBondContact OE2-ND2 3.09Å; N390-K392 VanDerWaalsContact OD1-CB 3.3Å; N390-K392 WeakPolarHBondContact OD1-CB 3.46Å; N390-K392 PolarHBondContact OD1-N 3.15Å; N390-N413 HydrophobicContact CB-CB 4.41Å
391	M	98.6	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.252	C	S	.	.			trans	-129.6	25.3	177.1	-59.4	176.6	-65.4	0	0	110.9	F351 I375 L389 N394 I396 L412 N413 V414 N417	F351-M391 HydrophobicContact CZ-SD 3.71Å; I375-M391 HydrophobicContact CD1-CE 3.4Å; I375-M391 VanDerWaalsContact CD1-CE 3.4Å; I375-M391 HydrophobicContact CD1-SD 3.56Å; I375-M391 VanDerWaalsContact CD1-SD 3.56Å; I375-M391 HydrophobicContact CG1-CE 4.44Å; I375-M391 HydrophobicContact CG1-SD 3.98Å; L389-M391 HydrophobicContact CD1-CE 4.4Å; L389-M391 HydrophobicContact CD1-CG 3.88Å; L389-M391 HydrophobicContact CD1-SD 4Å; L389-M391 HydrophobicContact CD2-CE 3.54Å; L389-M391 HydrophobicContact CD2-SD 4.01Å; L389-M391 HydrophobicContact CG-CE 3.78Å; L389-M391 HydrophobicContact CG-CG 4.09Å; L389-M391 HydrophobicContact CG-SD 4.05Å; M391-N394 PolarHBondContact O-ND2 3.22Å; M391-I396 HydrophobicContact CB-CD1 3.86Å; M391-I396 HydrophobicContact CE-CD1 4.45Å; M391-I396 HydrophobicContact CG-CD1 4.47Å; M391-I396 HydrophobicContact SD-CD1 4Å; M391-L412 HydrophobicContact CE-CD1 4.08Å; M391-N413 PolarHBondContact N-O 3.14Å; M391-V414 HydrophobicContact CB-CG1 4.36Å; M391-V414 HydrophobicContact CE-CG1 3.46Å; M391-V414 VanDerWaalsContact CE-CG1 3.46Å; M391-N417 PolarHBondContact O-ND2 3.46Å
392	K	98.8	Very high	97.9	Very high	44 Å²	44	41.8 Å²	41.8	19%	0.191	23%	0.234	C	C	.	.			trans	-58	154	177.2	168.5	175	170.8	-69.1	0	111.8	E368 Y369 N390 N394 G415	E368-K392 CarbonylContact C-O 3.09Å; E368-K392 WeakPolarHBondContact CA-O 3.3Å; E368-K392 HydrophobicContact CG-CB 3.85Å; E368-K392 HydrophobicContact CG-CG 4.09Å; E368-K392 WeakPolarHBondContact CG-O 3.5Å; E368-K392 IonicContact OE1-NZ 2.86Å; E368-K392 PolarHBondContact OE1-NZ 2.71Å; Y369-K392 PolarHBondContact N-O 3Å; Y369-K392 PolarHBondContact OH-NZ 3.01Å; N390-K392 VanDerWaalsContact OD1-CB 3.3Å; N390-K392 WeakPolarHBondContact OD1-CB 3.46Å; N390-K392 PolarHBondContact OD1-N 3.15Å; K392-N394 PolarHBondContact O-ND2 3.07Å; K392-N394 VanDerWaalsContact O-ND2 3.14Å; K392-G415 CarbonylContact C-O 3.24Å; K392-G415 WeakPolarHBondContact CA-O 3.23Å
393	D	98.8	Very high	98	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	21%	0.209	C	C	.	.	S	Bend	trans	54.1	61.3	177.9	-81.1	-83.1	0	0	0	111.9	E368 Y369 N370 G415 T416	E368-D393 HydrophobicContact CG-CB 4.48Å; Y369-D393 VanDerWaalsContact CA-O 3.27Å; Y369-D393 WeakPolarHBondContact CA-O 3.3Å; Y369-D393 HydrophobicContact CD1-CB 3.52Å; Y369-D393 HydrophobicContact CD2-CB 4.37Å; Y369-D393 HydrophobicContact CE1-CB 3.66Å; Y369-D393 WeakPolarHBondContact CE1-OD1 3.15Å; Y369-D393 HydrophobicContact CE2-CB 4.48Å; Y369-D393 HydrophobicContact CG-CB 3.87Å; Y369-D393 VanDerWaalsContact CZ-OD2 3.28Å; Y369-D393 PolarHBondContact N-O 3.13Å; Y369-D393 PolarHBondContact OH-OD2 3.42Å; N370-D393 PolarHBondContact N-O 2.99Å; N370-D393 VanDerWaalsContact N-O 3.08Å; D393-G415 PolarHBondContact N-O 2.82Å; D393-T416 VanDerWaalsContact CA-O 3.3Å; D393-T416 WeakPolarHBondContact CA-O 3.14Å; D393-T416 PolarHBondContact N-O 2.89Å; D393-T416 WeakPolarHBondContact OD1-CG2 3.37Å
394	N	98.8	Very high	98	Very high	11 Å²	11	40 Å²	40	6%	0.059	23%	0.229	C	C	.	.	S	Bend	trans	-134.6	-166.6	174.6	-86	-78.6	0	0	0	109.6	M367 N370 Q371 I372 M391 K392 I396 T416 N417	M367-N394 PolarHBondContact O-ND2 3.21Å; N370-N394 WeakPolarHBondContact CA-OD1 3.45Å; N370-N394 WeakPolarHBondContact CB-OD1 3.37Å; N370-N394 PolarHBondContact O-OD1 2.9Å; Q371-N394 PolarHBondContact N-OD1 2.99Å; I372-N394 HydrophobicContact CB-CB 4.39Å; I372-N394 VanDerWaalsContact CB-OD1 3.23Å; I372-N394 WeakPolarHBondContact CB-OD1 3.24Å; I372-N394 WeakPolarHBondContact CG1-OD1 3.41Å; I372-N394 PolarHBondContact N-OD1 2.84Å; M391-N394 PolarHBondContact O-ND2 3.22Å; K392-N394 PolarHBondContact O-ND2 3.07Å; K392-N394 VanDerWaalsContact O-ND2 3.14Å; N394-I396 HydrophobicContact CB-CD1 4.3Å; N394-I396 HydrophobicContact CB-CG1 4.15Å; N394-T416 PolarHBondContact N-O 3.16Å; N394-N417 WeakPolarHBondContact CA-OD1 3.3Å; N394-N417 WeakPolarHBondContact CB-OD1 3.27Å; N394-N417 PolarHBondContact O-OD1 3.03Å
395	Q	98.3	Very high	98	Very high	81 Å²	81	37.6 Å²	37.6	38%	0.379	21%	0.212	S	C	.	.			trans	-119.8	30.3	-178.4	-61.9	176.2	36.6	0	0	111.3	I372 T373 G397 N417	I372-Q395 CarbonylContact O-C 3.19Å; I372-Q395 VanDerWaalsContact O-CA 3.31Å; I372-Q395 WeakPolarHBondContact O-CA 3.25Å; I372-Q395 PolarHBondContact O-N 3.13Å; T373-Q395 WeakPolarHBondContact CA-O 3.32Å; T373-Q395 HydrophobicContact CG2-CB 4.11Å; Q395-G397 PolarHBondContact O-N 3.15Å; Q395-N417 PolarHBondContact N-OD1 3.14Å
396	I	98.5	Very high	98	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.194	C	C	.	.			trans	-72.6	115.9	-173.9	-59.2	169.7	0	0	0	109.6	I372 I375 M391 N394 A398 N417 Q418 L419	I372-I396 HydrophobicContact CG2-CG1 4.37Å; I372-I396 WeakPolarHBondContact O-CG1 3.36Å; I372-I396 PolarHBondContact O-N 2.92Å; I375-I396 HydrophobicContact CD1-CD1 4.25Å; I375-I396 HydrophobicContact CD1-CG2 4.49Å; I375-I396 HydrophobicContact CG1-CD1 4.11Å; I375-I396 HydrophobicContact CG1-CG2 4.42Å; M391-I396 HydrophobicContact CB-CD1 3.86Å; M391-I396 HydrophobicContact CE-CD1 4.45Å; M391-I396 HydrophobicContact CG-CD1 4.47Å; M391-I396 HydrophobicContact SD-CD1 4Å; N394-I396 HydrophobicContact CB-CD1 4.3Å; N394-I396 HydrophobicContact CB-CG1 4.15Å; I396-A398 WeakPolarHBondContact CG2-O 3.38Å; I396-N417 HydrophobicContact CB-CB 4.42Å; I396-N417 VanDerWaalsContact CB-OD1 3.28Å; I396-N417 WeakPolarHBondContact CB-OD1 3.42Å; I396-N417 WeakPolarHBondContact CG1-OD1 3.44Å; I396-N417 PolarHBondContact N-OD1 3.03Å; I396-Q418 CarbonylContact O-C 3.26Å; I396-Q418 VanDerWaalsContact O-C 3.26Å; I396-Q418 WeakPolarHBondContact O-CA 3.32Å; I396-Q418 PolarHBondContact O-N 3.3Å; I396-L419 HydrophobicContact CG2-CD2 4.01Å; I396-L419 PolarHBondContact O-N 2.86Å
397	G	97.9	Very high	97.9	Very high	27 Å²	27	37.6 Å²	37.6	28%	0.278	21%	0.214	S	C	.	.			trans	-85.4	-24.7	-179.6	0	0	0	0	0	115.1	Q395 Q418	Q395-G397 PolarHBondContact O-N 3.15Å; G397-Q418 WeakPolarHBondContact CA-O 3.3Å
398	A	98.1	Very high	97.9	Very high	59 Å²	59	36.3 Å²	36.3	49%	0.488	21%	0.207	S	C	.	.	S	Bend	trans	-158.8	154.7	-179.8	0	0	0	0	0	111.9	I396	I396-A398 WeakPolarHBondContact CG2-O 3.38Å
399	F	98.2	Very high	97.9	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.088	19%	0.189	C	C	.	.			trans	-70.1	151.1	165.2	-70.4	-79	0	0	0	111.5	I403 W406 L412 V414 L419 L422 P423 L437	F399-I403 HydrophobicContact CB-CD1 3.98Å; F399-I403 HydrophobicContact CD1-CD1 3.51Å; F399-I403 HydrophobicContact CD1-CG1 4.39Å; F399-I403 HydrophobicContact CD2-CD1 4.43Å; F399-I403 HydrophobicContact CE1-CD1 4.01Å; F399-I403 HydrophobicContact CG-CD1 3.73Å; F399-W406 HydrophobicContact CD1-CH2 4.02Å; F399-W406 HydrophobicContact CD1-CZ3 4.02Å; F399-W406 HydrophobicContact CE1-CH2 4.5Å; F399-W406 HydrophobicContact CE1-CZ3 4.14Å; F399-L412 HydrophobicContact CE1-CD2 4.07Å; F399-L412 HydrophobicContact CZ-CD2 4.37Å; F399-V414 HydrophobicContact CE1-CG1 4.16Å; F399-V414 HydrophobicContact CE1-CG2 4.49Å; F399-V414 HydrophobicContact CZ-CG1 4.32Å; F399-V414 HydrophobicContact CZ-CG2 3.85Å; F399-L419 HydrophobicContact CD2-CD1 4.43Å; F399-L419 HydrophobicContact CD2-CD2 4.01Å; F399-L419 HydrophobicContact CE2-CD1 3.64Å; F399-L419 HydrophobicContact CE2-CD2 4.06Å; F399-L419 HydrophobicContact CE2-CG 4.45Å; F399-L419 HydrophobicContact CZ-CD1 3.86Å; F399-L422 HydrophobicContact CD2-CD1 4.42Å; F399-L422 HydrophobicContact CE2-CD1 3.74Å; F399-L422 HydrophobicContact CZ-CD1 4.26Å; F399-P423 HydrophobicContact CB-CG 4.07Å; F399-P423 HydrophobicContact CD2-CG 4.3Å; F399-P423 HydrophobicContact CG-CG 4.43Å; F399-L437 HydrophobicContact CE2-CD2 4.19Å; F399-L437 HydrophobicContact CZ-CD2 4.11Å
400	P	97.2	Very high	97.9	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.052	20%	0.198	C	C	.	.			trans	-74.8	152.3	177.4	32.5	-33.8	0	0	0	111.3	I375 D402 I403 W406	I375-P400 HydrophobicContact CB-CG 4.09Å; I375-P400 HydrophobicContact CG2-CG 4.02Å; P400-D402 WeakPolarHBondContact CB-OD1 3.02Å; P400-D402 PolarHBondContact O-N 3.31Å; P400-I403 PolarHBondContact O-N 3.2Å; P400-I403 VanDerWaalsContact O-N 3.09Å; P400-W406 HydrophobicContact CG-CH2 4.21Å; P400-W406 HydrophobicContact CG-CZ2 3.56Å
401	P	95.4	Very high	97.9	Very high	98 Å²	98	35.7 Å²	35.7	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.6	-178.1	-25.4	34.2	0	0	0	116.1	F377	F377-P401 HydrophobicContact CD2-CB 4.35Å; F377-P401 HydrophobicContact CE2-CB 4.4Å
402	D	96.3	Very high	97.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	19.3	178.1	66.3	-59.7	0	0	0	113.4	F377 G378 P400 K404 S405	F377-D402 WeakPolarHBondContact CA-OD1 3.15Å; F377-D402 HydrophobicContact CD2-CB 3.93Å; F377-D402 VanDerWaalsContact CD2-OD1 3.29Å; F377-D402 WeakPolarHBondContact CD2-OD1 3.27Å; F377-D402 HydrophobicContact CE2-CB 3.63Å; F377-D402 HydrophobicContact CZ-CB 4.25Å; G378-D402 WeakPolarHBondContact CA-OD2 3.21Å; G378-D402 PolarHBondContact N-OD1 3.07Å; G378-D402 VanDerWaalsContact N-OD1 3.11Å; G378-D402 PolarHBondContact N-OD2 2.92Å; P400-D402 WeakPolarHBondContact CB-OD1 3.02Å; P400-D402 PolarHBondContact O-N 3.31Å; D402-K404 PolarHBondContact O-N 3.09Å; D402-S405 WeakPolarHBondContact O-CB 3.23Å; D402-S405 PolarHBondContact O-N 3.18Å; D402-S405 PolarHBondContact O-OG 2.97Å
403	I	97.7	Very high	97.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-50.3	-30.3	174.8	-165.5	-177.6	0	0	0	112.5	F399 P400 S405 W406 P423 D425 I426 L429	F399-I403 HydrophobicContact CB-CD1 3.98Å; F399-I403 HydrophobicContact CD1-CD1 3.51Å; F399-I403 HydrophobicContact CD1-CG1 4.39Å; F399-I403 HydrophobicContact CD2-CD1 4.43Å; F399-I403 HydrophobicContact CE1-CD1 4.01Å; F399-I403 HydrophobicContact CG-CD1 3.73Å; P400-I403 PolarHBondContact O-N 3.2Å; P400-I403 VanDerWaalsContact O-N 3.09Å; I403-S405 PolarHBondContact O-N 3.32Å; I403-W406 HydrophobicContact CD1-CE3 4.31Å; I403-W406 HydrophobicContact CD1-CZ3 4.21Å; I403-W406 HydrophobicContact CG1-CD2 3.83Å; I403-W406 HydrophobicContact CG1-CE3 3.63Å; I403-W406 HydrophobicContact CG1-CG 4.45Å; I403-W406 HydrophobicContact CG1-CH2 4.25Å; I403-W406 HydrophobicContact CG1-CZ2 4.42Å; I403-W406 HydrophobicContact CG1-CZ3 3.86Å; I403-W406 WeakPolarHBondContact O-CB 3.35Å; I403-W406 PolarHBondContact O-N 3.02Å; I403-P423 HydrophobicContact CD1-CG 4.15Å; I403-P423 HydrophobicContact CG2-CG 3.92Å; I403-D425 HydrophobicContact CG2-CB 3.54Å; I403-I426 HydrophobicContact CD1-CD1 4.12Å; I403-L429 HydrophobicContact CG1-CD1 4.27Å; I403-L429 WeakPolarHBondContact O-CD1 3.46Å
404	K	96.8	Very high	97.9	Very high	107 Å²	107	33 Å²	33	47%	0.465	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-54.8	-17.5	173.2	67.3	-175.5	179.7	-170	0	115.4	D402 W406 T407 D425 Y428	D402-K404 PolarHBondContact O-N 3.09Å; K404-W406 VanDerWaalsContact C-N 3.35Å; K404-T407 WeakPolarHBondContact O-CG2 3.07Å; K404-D425 HydrophobicContact CB-CB 4.18Å; K404-Y428 HydrophobicContact CB-CD2 3.37Å; K404-Y428 HydrophobicContact CB-CE2 4.01Å; K404-Y428 HydrophobicContact CB-CG 3.7Å; K404-Y428 WeakPolarHBondContact O-CB 3.18Å
405	S	96.8	Very high	97.9	Very high	41 Å²	41	32.5 Å²	32.5	29%	0.287	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-80.9	-11.2	176.6	67	0	0	0	0	113.9	D402 I403 T407	D402-S405 WeakPolarHBondContact O-CB 3.23Å; D402-S405 PolarHBondContact O-N 3.18Å; D402-S405 PolarHBondContact O-OG 2.97Å; I403-S405 PolarHBondContact O-N 3.32Å; S405-T407 PolarHBondContact O-N 3.01Å
406	W	98.1	Very high	98	Very high	6 Å²	6	30.9 Å²	30.9	2%	0.023	19%	0.187	C	C	.	.			trans	-83.2	39.7	-173.7	-54.9	-1.3	0	0	0	112.9	I375 F380 L389 F399 P400 I403 K404 S408 L409 L412 L429	I375-W406 HydrophobicContact CD1-CH2 3.66Å; I375-W406 HydrophobicContact CD1-CZ2 4.32Å; I375-W406 HydrophobicContact CG2-CH2 4.5Å; I375-W406 HydrophobicContact CG2-CZ2 4.12Å; F380-W406 HydrophobicContact CD2-CD2 4.37Å; F380-W406 AromaticContact CD2-CE2 3.64Å; F380-W406 AromaticContact CD2-CZ2 3.73Å; F380-W406 HydrophobicContact CD2-CZ2 3.73Å; F380-W406 AromaticContact CD2-NE1 3.65Å; F380-W406 HydrophobicContact CE2-CZ2 4.12Å; L389-W406 HydrophobicContact CD2-CE3 4.44Å; L389-W406 HydrophobicContact CD2-CH2 4.4Å; L389-W406 HydrophobicContact CD2-CZ3 4.11Å; F399-W406 HydrophobicContact CD1-CH2 4.02Å; F399-W406 HydrophobicContact CD1-CZ3 4.02Å; F399-W406 HydrophobicContact CE1-CH2 4.5Å; F399-W406 HydrophobicContact CE1-CZ3 4.14Å; P400-W406 HydrophobicContact CG-CH2 4.21Å; P400-W406 HydrophobicContact CG-CZ2 3.56Å; I403-W406 HydrophobicContact CD1-CE3 4.31Å; I403-W406 HydrophobicContact CD1-CZ3 4.21Å; I403-W406 HydrophobicContact CG1-CD2 3.83Å; I403-W406 HydrophobicContact CG1-CE3 3.63Å; I403-W406 HydrophobicContact CG1-CG 4.45Å; I403-W406 HydrophobicContact CG1-CH2 4.25Å; I403-W406 HydrophobicContact CG1-CZ2 4.42Å; I403-W406 HydrophobicContact CG1-CZ3 3.86Å; I403-W406 WeakPolarHBondContact O-CB 3.35Å; I403-W406 PolarHBondContact O-N 3.02Å; K404-W406 VanDerWaalsContact C-N 3.35Å; W406-S408 PolarHBondContact O-N 3.02Å; W406-S408 VanDerWaalsContact O-N 3.14Å; W406-L409 HydrophobicContact CB-CD1 3.67Å; W406-L409 HydrophobicContact CB-CG 4.11Å; W406-L409 HydrophobicContact CD2-CD1 4.09Å; W406-L409 HydrophobicContact CE3-CD1 3.53Å; W406-L409 HydrophobicContact CG-CD1 4.2Å; W406-L409 HydrophobicContact CZ3-CD1 4.45Å; W406-L409 WeakPolarHBondContact O-CB 3.39Å; W406-L409 PolarHBondContact O-N 2.76Å; W406-L409 VanDerWaalsContact O-N 3.14Å; W406-L412 HydrophobicContact CZ3-CD1 4.33Å; W406-L412 HydrophobicContact CZ3-CD2 4.36Å; W406-L429 HydrophobicContact CB-CD1 4.32Å; W406-L429 HydrophobicContact CB-CD2 4.35Å; W406-L429 HydrophobicContact CB-CG 4.28Å; W406-L429 HydrophobicContact CE3-CD2 4.49Å
407	T	97.3	Very high	98	Very high	70 Å²	70	31.3 Å²	31.3	43%	0.429	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.2	-169.3	58.5	0	0	0	0	114.1	K404 S405 N431	K404-T407 WeakPolarHBondContact O-CG2 3.07Å; S405-T407 PolarHBondContact O-N 3.01Å; T407-N431 PolarHBondContact O-ND2 3.19Å
408	S	98.3	Very high	98	Very high	22 Å²	22	34.1 Å²	34.1	15%	0.154	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.4	176.8	58.2	0	0	0	0	114	A383 S384 L386 W406	A383-S408 PolarHBondContact O-OG 2.78Å; A383-S408 VanDerWaalsContact O-OG 3.09Å; S384-S408 WeakPolarHBondContact O-CB 3.41Å; L386-S408 CarbonylContact O-C 3.09Å; L386-S408 WeakPolarHBondContact O-CB 3.41Å; L386-S408 PolarHBondContact O-OG 2.97Å; W406-S408 PolarHBondContact O-N 3.02Å; W406-S408 VanDerWaalsContact O-N 3.14Å
409	L	98.8	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.			trans	-66.5	137.9	-176.7	-76.3	178.9	0	0	0	112.2	L386 L389 W406 L412 L429 N431 L432	L386-L409 HydrophobicContact CD2-CD2 4.26Å; L386-L409 HydrophobicContact CG-CD2 3.96Å; L386-L409 PolarHBondContact O-N 2.86Å; L389-L409 HydrophobicContact CB-CD2 3.79Å; L389-L409 HydrophobicContact CD2-CD1 4.46Å; W406-L409 HydrophobicContact CB-CD1 3.67Å; W406-L409 HydrophobicContact CB-CG 4.11Å; W406-L409 HydrophobicContact CD2-CD1 4.09Å; W406-L409 HydrophobicContact CE3-CD1 3.53Å; W406-L409 HydrophobicContact CG-CD1 4.2Å; W406-L409 HydrophobicContact CZ3-CD1 4.45Å; W406-L409 WeakPolarHBondContact O-CB 3.39Å; W406-L409 PolarHBondContact O-N 2.76Å; W406-L409 VanDerWaalsContact O-N 3.14Å; L409-L412 HydrophobicContact CD1-CD1 4.46Å; L409-L429 HydrophobicContact CB-CD2 4.49Å; L409-L429 HydrophobicContact CD1-CD2 4.1Å; L409-N431 CarbonylContact O-C 3.13Å; L409-N431 WeakPolarHBondContact O-CB 3.29Å; L409-L432 HydrophobicContact CB-CD1 4.11Å; L409-L432 PolarHBondContact O-N 3.4Å
410	V	98.9	Very high	98	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.2	19%	0.189	C	C	.	.	S	Bend	trans	-116	-38.6	175	-179.7	0	0	0	0	109.9	T387 E433 V434	T387-V410 HydrophobicContact CG2-CG2 4.22Å; T387-V410 PolarHBondContact O-N 3.06Å; V410-E433 HydrophobicContact CG1-CB 3.9Å; V410-E433 HydrophobicContact CG1-CG 3.85Å; V410-E433 PolarHBondContact O-N 3.3Å; V410-V434 PolarHBondContact O-N 3.29Å
411	E	98.9	Very high	98.1	Very high	71 Å²	71	40.2 Å²	40.2	33%	0.332	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.2	178.3	-58.1	176.5	-164.3	0	0	110.3	T387 K388 L389 V434	T387-E411 PolarHBondContact O-N 3.17Å; K388-E411 WeakPolarHBondContact CA-O 3.34Å; K388-E411 HydrophobicContact CB-CB 4.5Å; K388-E411 WeakPolarHBondContact CD-OE2 3.34Å; K388-E411 WeakPolarHBondContact CE-OE1 3.47Å; K388-E411 WeakPolarHBondContact CE-OE2 3.31Å; K388-E411 HydrophobicContact CG-CB 4.19Å; K388-E411 HydrophobicContact CG-CG 4.38Å; K388-E411 IonicContact NZ-OE1 3.01Å; K388-E411 PolarHBondContact NZ-OE1 2.6Å; K388-E411 IonicContact NZ-OE2 3.3Å; K388-E411 PolarHBondContact NZ-OE2 2.83Å; L389-E411 PolarHBondContact N-O 3.14Å; E411-V434 HydrophobicContact CB-CB 4.29Å; E411-V434 HydrophobicContact CG-CB 4.04Å; E411-V434 HydrophobicContact CG-CG2 4.13Å
412	L	98.9	Very high	98.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.4	174.8	178.2	59.3	0	0	0	109.7	L389 M391 F399 W406 L409 V414 L429 L432 V434 L435 I436	L389-L412 HydrophobicContact CB-CD1 4.13Å; L389-L412 HydrophobicContact CD2-CD1 3.99Å; L389-L412 HydrophobicContact CG-CD1 4.1Å; M391-L412 HydrophobicContact CE-CD1 4.08Å; F399-L412 HydrophobicContact CE1-CD2 4.07Å; F399-L412 HydrophobicContact CZ-CD2 4.37Å; W406-L412 HydrophobicContact CZ3-CD1 4.33Å; W406-L412 HydrophobicContact CZ3-CD2 4.36Å; L409-L412 HydrophobicContact CD1-CD1 4.46Å; L412-V414 HydrophobicContact CD1-CG1 3.9Å; L412-V414 HydrophobicContact CG-CG1 4.33Å; L412-L429 HydrophobicContact CD2-CD2 4.34Å; L412-L432 HydrophobicContact CB-CD1 3.84Å; L412-V434 PolarHBondContact N-O 2.8Å; L412-L435 HydrophobicContact CB-CD1 4.2Å; L412-L435 HydrophobicContact CD2-CD1 3.98Å; L412-L435 HydrophobicContact CG-CD1 4.16Å; L412-L435 WeakPolarHBondContact O-CA 3.38Å; L412-I436 PolarHBondContact O-N 3.35Å
413	N	98.9	Very high	98.3	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	173	-172.9	-4.9	0	0	0	110.4	L389 N390 M391 G415 I436	L389-N413 PolarHBondContact O-N 2.83Å; N390-N413 HydrophobicContact CB-CB 4.41Å; M391-N413 PolarHBondContact N-O 3.14Å; N413-G415 PolarHBondContact OD1-N 3.25Å; N413-I436 HydrophobicContact CB-CB 4.22Å; N413-I436 HydrophobicContact CB-CD1 4.34Å; N413-I436 WeakPolarHBondContact OD1-CG2 3.39Å
414	V	98.6	Very high	98.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.222	C	C	.	.			trans	-130	26.8	175.5	-68.7	0	0	0	0	110.6	M391 F399 L412 N417 L419 I436 L437 N440	M391-V414 HydrophobicContact CB-CG1 4.36Å; M391-V414 HydrophobicContact CE-CG1 3.46Å; M391-V414 VanDerWaalsContact CE-CG1 3.46Å; F399-V414 HydrophobicContact CE1-CG1 4.16Å; F399-V414 HydrophobicContact CE1-CG2 4.49Å; F399-V414 HydrophobicContact CZ-CG1 4.32Å; F399-V414 HydrophobicContact CZ-CG2 3.85Å; L412-V414 HydrophobicContact CD1-CG1 3.9Å; L412-V414 HydrophobicContact CG-CG1 4.33Å; V414-N417 PolarHBondContact O-ND2 2.92Å; V414-L419 HydrophobicContact CB-CD1 3.97Å; V414-L419 HydrophobicContact CG2-CD1 3.63Å; V414-I436 WeakPolarHBondContact CG2-O 3.37Å; V414-I436 PolarHBondContact N-O 3.28Å; V414-L437 HydrophobicContact CG2-CD2 3.35Å; V414-L437 HydrophobicContact CG2-CG 4.1Å; V414-N440 PolarHBondContact O-ND2 2.84Å
415	G	98.7	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.			trans	-59.7	155.6	176.6	0	0	0	0	0	112.2	K392 D393 N413 N417 I436 S438	K392-G415 CarbonylContact C-O 3.24Å; K392-G415 WeakPolarHBondContact CA-O 3.23Å; D393-G415 PolarHBondContact N-O 2.82Å; N413-G415 PolarHBondContact OD1-N 3.25Å; G415-N417 PolarHBondContact O-ND2 3.47Å; G415-N417 VanDerWaalsContact O-ND2 3.09Å; G415-I436 PolarHBondContact N-O 3.02Å; G415-S438 CarbonylContact C-O 3.45Å; G415-S438 WeakPolarHBondContact CA-O 2.92Å
416	T	98.7	Very high	98.4	Very high	46 Å²	46	37 Å²	37	28%	0.282	20%	0.197	S	C	.	.	S	Bend	trans	53.5	61.9	179.3	-43	0	0	0	0	112.1	D393 N394 S438 N439	D393-T416 VanDerWaalsContact CA-O 3.3Å; D393-T416 WeakPolarHBondContact CA-O 3.14Å; D393-T416 PolarHBondContact N-O 2.89Å; D393-T416 WeakPolarHBondContact OD1-CG2 3.37Å; N394-T416 PolarHBondContact N-O 3.16Å; T416-S438 PolarHBondContact N-O 3.08Å; T416-N439 WeakPolarHBondContact CA-O 3.4Å; T416-N439 PolarHBondContact N-O 3.47Å
417	N	98.8	Very high	98.5	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.064	21%	0.209	C	C	.	.	S	Bend	trans	-134.6	-163.2	177.4	-88	-79.4	0	0	0	109.8	M391 N394 Q395 I396 V414 G415 L419 N439 N440	M391-N417 PolarHBondContact O-ND2 3.46Å; N394-N417 WeakPolarHBondContact CA-OD1 3.3Å; N394-N417 WeakPolarHBondContact CB-OD1 3.27Å; N394-N417 PolarHBondContact O-OD1 3.03Å; Q395-N417 PolarHBondContact N-OD1 3.14Å; I396-N417 HydrophobicContact CB-CB 4.42Å; I396-N417 VanDerWaalsContact CB-OD1 3.28Å; I396-N417 WeakPolarHBondContact CB-OD1 3.42Å; I396-N417 WeakPolarHBondContact CG1-OD1 3.44Å; I396-N417 PolarHBondContact N-OD1 3.03Å; V414-N417 PolarHBondContact O-ND2 2.92Å; G415-N417 PolarHBondContact O-ND2 3.47Å; G415-N417 VanDerWaalsContact O-ND2 3.09Å; N417-L419 HydrophobicContact CB-CG 4.36Å; N417-N439 PolarHBondContact N-O 3.01Å; N417-N439 VanDerWaalsContact N-O 3.16Å; N417-N440 WeakPolarHBondContact CA-OD1 3.35Å; N417-N440 WeakPolarHBondContact CB-OD1 3.24Å; N417-N440 PolarHBondContact O-OD1 2.83Å
418	Q	98.5	Very high	98.5	Very high	85 Å²	85	41 Å²	41	40%	0.397	21%	0.208	S	C	.	.			trans	-118.1	27.7	-178.5	-59.8	176.4	36.8	0	0	111.4	I396 G397 T420 N440	I396-Q418 CarbonylContact O-C 3.26Å; I396-Q418 VanDerWaalsContact O-C 3.26Å; I396-Q418 WeakPolarHBondContact O-CA 3.32Å; I396-Q418 PolarHBondContact O-N 3.3Å; G397-Q418 WeakPolarHBondContact CA-O 3.3Å; Q418-T420 PolarHBondContact O-N 2.93Å; Q418-N440 PolarHBondContact N-OD1 3Å
419	L	98.7	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.			trans	-67.2	122.5	-176.4	-63.1	170.9	0	0	0	110.3	I396 F399 V414 N417 L437 N440 Q441 L442	I396-L419 HydrophobicContact CG2-CD2 4.01Å; I396-L419 PolarHBondContact O-N 2.86Å; F399-L419 HydrophobicContact CD2-CD1 4.43Å; F399-L419 HydrophobicContact CD2-CD2 4.01Å; F399-L419 HydrophobicContact CE2-CD1 3.64Å; F399-L419 HydrophobicContact CE2-CD2 4.06Å; F399-L419 HydrophobicContact CE2-CG 4.45Å; F399-L419 HydrophobicContact CZ-CD1 3.86Å; V414-L419 HydrophobicContact CB-CD1 3.97Å; V414-L419 HydrophobicContact CG2-CD1 3.63Å; N417-L419 HydrophobicContact CB-CG 4.36Å; L419-L437 HydrophobicContact CD1-CD2 3.83Å; L419-N440 HydrophobicContact CB-CB 4.19Å; L419-N440 VanDerWaalsContact CB-OD1 3.24Å; L419-N440 WeakPolarHBondContact CB-OD1 3.39Å; L419-N440 WeakPolarHBondContact CG-OD1 3.39Å; L419-N440 PolarHBondContact N-OD1 3.48Å; L419-Q441 CarbonylContact O-C 3.25Å; L419-Q441 VanDerWaalsContact O-C 3.25Å; L419-Q441 VanDerWaalsContact O-CA 3.31Å; L419-Q441 WeakPolarHBondContact O-CA 3.35Å; L419-Q441 WeakPolarHBondContact O-CB 3.46Å; L419-Q441 PolarHBondContact O-N 3.08Å; L419-L442 HydrophobicContact CB-CD2 4.19Å; L419-L442 PolarHBondContact O-N 2.88Å
420	T	98.3	Very high	98.5	Very high	71 Å²	71	44.4 Å²	44.4	44%	0.436	22%	0.223	S	C	.	.			trans	-95.1	-18.9	177.8	57	0	0	0	0	113.2	Q418 Q441	Q418-T420 PolarHBondContact O-N 2.93Å; T420-Q441 HydrophobicContact CG2-CB 4.26Å
421	K	98.2	Very high	98.5	Very high	144 Å²	144	45.3 Å²	45.3	63%	0.626	23%	0.227	S	C	*	.			trans	-150	145.6	179.9	-64	-172.6	179.1	-175.3	0	111.5	L442	K421-L442 VanDerWaalsContact C-CD2 3.42Å
422	L	98.2	Very high	98.5	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	21%	0.211	C	C	.	.			trans	-93	120.8	160.1	-175.1	66.4	0	0	0	107.5	F399 I426 L435 L437 I445 P446 I449	F399-L422 HydrophobicContact CD2-CD1 4.42Å; F399-L422 HydrophobicContact CE2-CD1 3.74Å; F399-L422 HydrophobicContact CZ-CD1 4.26Å; L422-I426 HydrophobicContact CD1-CB 4.43Å; L422-I426 HydrophobicContact CD1-CD1 3.99Å; L422-I426 HydrophobicContact CD1-CG1 4.13Å; L422-I426 HydrophobicContact CD2-CG1 4.37Å; L422-I426 HydrophobicContact CD2-CG2 4.43Å; L422-I426 HydrophobicContact CG-CB 4.35Å; L422-I426 HydrophobicContact CG-CG1 4.37Å; L422-I426 HydrophobicContact CG-CG2 4.4Å; L422-L435 HydrophobicContact CD2-CD2 4.43Å; L422-L437 HydrophobicContact CD1-CD1 4.18Å; L422-L437 HydrophobicContact CD1-CD2 4.38Å; L422-L437 HydrophobicContact CD2-CD1 4.01Å; L422-I445 HydrophobicContact CD2-CG2 4.46Å; L422-P446 HydrophobicContact CB-CG 4.39Å; L422-P446 HydrophobicContact CD2-CG 4.26Å; L422-P446 HydrophobicContact CG-CG 4.21Å; L422-I449 HydrophobicContact CD2-CD1 4.05Å
423	P	97.9	Very high	98.5	Very high	40 Å²	40	45 Å²	45	26%	0.26	23%	0.226	S	C	.	.			trans	-71.5	155.3	-176.3	29	-36.6	0	0	0	112.8	F399 I403 D425 I426	F399-P423 HydrophobicContact CB-CG 4.07Å; F399-P423 HydrophobicContact CD2-CG 4.3Å; F399-P423 HydrophobicContact CG-CG 4.43Å; I403-P423 HydrophobicContact CD1-CG 4.15Å; I403-P423 HydrophobicContact CG2-CG 3.92Å; P423-D425 PolarHBondContact O-N 3.21Å; P423-I426 WeakPolarHBondContact O-CB 3.49Å; P423-I426 WeakPolarHBondContact O-CG2 3.39Å; P423-I426 PolarHBondContact O-N 3.38Å; P423-I426 VanDerWaalsContact O-N 3.11Å
424	D	98.3	Very high	98.5	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-60.9	-32.3	177.9	-66.5	-37.4	0	0	0	112.4	I426 E427 P446 T448	D424-I426 PolarHBondContact O-N 2.98Å; D424-E427 WeakPolarHBondContact O-CG 3.42Å; D424-E427 PolarHBondContact O-N 3.03Å; D424-P446 WeakPolarHBondContact OD1-CB 3.44Å; D424-T448 WeakPolarHBondContact CA-OG1 3.41Å; D424-T448 HydrophobicContact CB-CG2 4.1Å; D424-T448 WeakPolarHBondContact O-CB 3.42Å; D424-T448 PolarHBondContact O-OG1 2.74Å
425	D	98.2	Very high	98.5	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.241	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.1	-2.5	174.6	-80.1	-7.6	0	0	0	114.1	I403 K404 P423 E427 Y428	I403-D425 HydrophobicContact CG2-CB 3.54Å; K404-D425 HydrophobicContact CB-CB 4.18Å; P423-D425 PolarHBondContact O-N 3.21Å; D425-E427 PolarHBondContact O-N 2.94Å; D425-Y428 HydrophobicContact CB-CD2 4.29Å; D425-Y428 WeakPolarHBondContact O-CD2 3.36Å; D425-Y428 PolarHBondContact O-N 2.82Å
426	I	98.3	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.5	168.4	-160.9	66.9	0	0	0	112	I403 L422 P423 D424 Y428 L429 P446 L452	I403-I426 HydrophobicContact CD1-CD1 4.12Å; L422-I426 HydrophobicContact CD1-CB 4.43Å; L422-I426 HydrophobicContact CD1-CD1 3.99Å; L422-I426 HydrophobicContact CD1-CG1 4.13Å; L422-I426 HydrophobicContact CD2-CG1 4.37Å; L422-I426 HydrophobicContact CD2-CG2 4.43Å; L422-I426 HydrophobicContact CG-CB 4.35Å; L422-I426 HydrophobicContact CG-CG1 4.37Å; L422-I426 HydrophobicContact CG-CG2 4.4Å; P423-I426 WeakPolarHBondContact O-CB 3.49Å; P423-I426 WeakPolarHBondContact O-CG2 3.39Å; P423-I426 PolarHBondContact O-N 3.38Å; P423-I426 VanDerWaalsContact O-N 3.11Å; D424-I426 PolarHBondContact O-N 2.98Å; I426-Y428 PolarHBondContact O-N 2.92Å; I426-L429 HydrophobicContact CD1-CD1 4.37Å; I426-L429 HydrophobicContact CD1-CD2 3.91Å; I426-L429 PolarHBondContact O-N 2.97Å; I426-P446 HydrophobicContact CG2-CG 3.99Å; I426-L452 HydrophobicContact CG1-CD1 4.13Å; I426-L452 WeakPolarHBondContact O-CD2 3.49Å
427	E	98.3	Very high	98.5	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.262	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-52.5	-27.3	176.7	52.6	-172.7	-172.8	0	0	114.5	D424 D425 L429 I430 T448 E451	D424-E427 WeakPolarHBondContact O-CG 3.42Å; D424-E427 PolarHBondContact O-N 3.03Å; D425-E427 PolarHBondContact O-N 2.94Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 3.08Å; E427-I430 WeakPolarHBondContact O-CG2 3.22Å; E427-T448 WeakPolarHBondContact OE2-CG2 3.42Å; E427-E451 HydrophobicContact CB-CB 3.85Å; E427-E451 HydrophobicContact CB-CG 3.78Å
428	Y	98.4	Very high	98.5	Very high	105 Å²	105	44.4 Å²	44.4	41%	0.412	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-79.3	-12.5	-177.2	-63.3	-82.4	0	0	0	113.2	K404 D425 I426 I430	K404-Y428 HydrophobicContact CB-CD2 3.37Å; K404-Y428 HydrophobicContact CB-CE2 4.01Å; K404-Y428 HydrophobicContact CB-CG 3.7Å; K404-Y428 WeakPolarHBondContact O-CB 3.18Å; D425-Y428 HydrophobicContact CB-CD2 4.29Å; D425-Y428 WeakPolarHBondContact O-CD2 3.36Å; D425-Y428 PolarHBondContact O-N 2.82Å; I426-Y428 PolarHBondContact O-N 2.92Å; Y428-I430 PolarHBondContact O-N 3.33Å
429	L	98.5	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.			trans	-83.3	50.1	178.9	-77.7	69.8	0	0	0	111.3	I403 W406 L409 L412 I426 E427 N431 L432 L452	I403-L429 HydrophobicContact CG1-CD1 4.27Å; I403-L429 WeakPolarHBondContact O-CD1 3.46Å; W406-L429 HydrophobicContact CB-CD1 4.32Å; W406-L429 HydrophobicContact CB-CD2 4.35Å; W406-L429 HydrophobicContact CB-CG 4.28Å; W406-L429 HydrophobicContact CE3-CD2 4.49Å; L409-L429 HydrophobicContact CB-CD2 4.49Å; L409-L429 HydrophobicContact CD1-CD2 4.1Å; L412-L429 HydrophobicContact CD2-CD2 4.34Å; I426-L429 HydrophobicContact CD1-CD1 4.37Å; I426-L429 HydrophobicContact CD1-CD2 3.91Å; I426-L429 PolarHBondContact O-N 2.97Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 3.08Å; L429-N431 PolarHBondContact O-N 2.8Å; L429-L432 HydrophobicContact CB-CB 4.31Å; L429-L432 HydrophobicContact CD2-CD1 4.49Å; L429-L432 HydrophobicContact CD2-CD2 4.47Å; L429-L432 WeakPolarHBondContact O-CB 3.16Å; L429-L432 PolarHBondContact O-N 2.85Å; L429-L452 HydrophobicContact CB-CD2 4.2Å; L429-L452 VanDerWaalsContact O-CD2 3.29Å; L429-L452 WeakPolarHBondContact O-CD2 3.5Å
430	I	98.1	Very high	98.5	Very high	93 Å²	93	43.3 Å²	43.3	48%	0.477	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.7	-173.7	61.7	170.7	0	0	0	115.3	E427 Y428	E427-I430 WeakPolarHBondContact O-CG2 3.22Å; Y428-I430 PolarHBondContact O-N 3.33Å
431	N	98.6	Very high	98.5	Very high	52 Å²	52	44 Å²	44	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.1	177.7	-71.8	-47.5	0	0	0	113.6	T407 L409 L429 E433 K454	T407-N431 PolarHBondContact O-ND2 3.19Å; L409-N431 CarbonylContact O-C 3.13Å; L409-N431 WeakPolarHBondContact O-CB 3.29Å; L429-N431 PolarHBondContact O-N 2.8Å; N431-E433 PolarHBondContact O-N 3.14Å; N431-K454 PolarHBondContact OD1-NZ 3.11Å
432	L	98.8	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.			trans	-69.1	125.2	-174.3	-156.1	71.6	0	0	0	111.2	L409 L412 L429 L435 L452 K454 L455	L409-L432 HydrophobicContact CB-CD1 4.11Å; L409-L432 PolarHBondContact O-N 3.4Å; L412-L432 HydrophobicContact CB-CD1 3.84Å; L429-L432 HydrophobicContact CB-CB 4.31Å; L429-L432 HydrophobicContact CD2-CD1 4.49Å; L429-L432 HydrophobicContact CD2-CD2 4.47Å; L429-L432 WeakPolarHBondContact O-CB 3.16Å; L429-L432 PolarHBondContact O-N 2.85Å; L432-L435 HydrophobicContact CD2-CB 3.8Å; L432-L435 HydrophobicContact CD2-CD1 4.11Å; L432-L435 HydrophobicContact CD2-CD2 4.09Å; L432-L435 HydrophobicContact CD2-CG 4.21Å; L432-L452 HydrophobicContact CD2-CD1 4.12Å; L432-K454 CarbonylContact O-C 3.11Å; L432-K454 VanDerWaalsContact O-C 3.32Å; L432-L455 HydrophobicContact CB-CD1 4.37Å; L432-L455 HydrophobicContact CD2-CD1 4.18Å; L432-L455 HydrophobicContact CG-CD1 4.12Å; L432-L455 WeakPolarHBondContact O-CA 3.41Å; L432-L455 PolarHBondContact O-N 3.14Å
433	E	98.9	Very high	98.6	Very high	67 Å²	67	43 Å²	43	31%	0.313	21%	0.213	S	C	.	.			trans	-108.9	-31.4	177	-67.2	179	-161.1	0	0	111.2	V410 N431 K454 Q456 V457	V410-E433 HydrophobicContact CG1-CB 3.9Å; V410-E433 HydrophobicContact CG1-CG 3.85Å; V410-E433 PolarHBondContact O-N 3.3Å; N431-E433 PolarHBondContact O-N 3.14Å; E433-K454 HydrophobicContact CG-CB 4.17Å; E433-Q456 PolarHBondContact O-N 3.07Å; E433-V457 PolarHBondContact O-N 3.28Å
434	V	99	Very high	98.6	Very high	31 Å²	31	47 Å²	47	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.8	179.3	-179.3	0	0	0	0	110.3	V410 E411 L412 I436 V457	V410-V434 PolarHBondContact O-N 3.29Å; E411-V434 HydrophobicContact CB-CB 4.29Å; E411-V434 HydrophobicContact CG-CB 4.04Å; E411-V434 HydrophobicContact CG-CG2 4.13Å; L412-V434 PolarHBondContact N-O 2.8Å; V434-I436 HydrophobicContact CG1-CD1 4.09Å; V434-I436 HydrophobicContact CG1-CG1 3.98Å; V434-V457 HydrophobicContact CB-CB 4.49Å; V434-V457 HydrophobicContact CG1-CB 4.19Å; V434-V457 HydrophobicContact CG1-CG1 4.41Å; V434-V457 HydrophobicContact CG2-CB 4.25Å; V434-V457 HydrophobicContact CG2-CG2 4.34Å
435	L	98.9	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.4	174.2	-179.7	53.8	0	0	0	110.4	L412 L422 L432 L437 I449 L452 L455 V457 L458 D459	L412-L435 HydrophobicContact CB-CD1 4.2Å; L412-L435 HydrophobicContact CD2-CD1 3.98Å; L412-L435 HydrophobicContact CG-CD1 4.16Å; L412-L435 WeakPolarHBondContact O-CA 3.38Å; L422-L435 HydrophobicContact CD2-CD2 4.43Å; L432-L435 HydrophobicContact CD2-CB 3.8Å; L432-L435 HydrophobicContact CD2-CD1 4.11Å; L432-L435 HydrophobicContact CD2-CD2 4.09Å; L432-L435 HydrophobicContact CD2-CG 4.21Å; L435-L437 HydrophobicContact CD1-CD1 3.93Å; L435-L437 HydrophobicContact CD1-CD2 4.5Å; L435-L437 HydrophobicContact CD1-CG 3.92Å; L435-L437 HydrophobicContact CD2-CD1 3.8Å; L435-L437 HydrophobicContact CG-CD1 3.72Å; L435-L437 HydrophobicContact CG-CG 4.1Å; L435-I449 HydrophobicContact CD2-CD1 4.31Å; L435-L452 HydrophobicContact CD2-CD1 4.31Å; L435-L455 HydrophobicContact CB-CD1 3.82Å; L435-V457 PolarHBondContact N-O 2.84Å; L435-L458 HydrophobicContact CB-CD1 4.14Å; L435-L458 HydrophobicContact CD2-CD1 3.97Å; L435-L458 HydrophobicContact CG-CD1 4.05Å; L435-D459 PolarHBondContact O-N 3.07Å
436	I	98.9	Very high	98.6	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.1	178.3	-57.2	170.9	0	0	0	109.1	L412 N413 V414 G415 V434 D459	L412-I436 PolarHBondContact O-N 3.35Å; N413-I436 HydrophobicContact CB-CB 4.22Å; N413-I436 HydrophobicContact CB-CD1 4.34Å; N413-I436 WeakPolarHBondContact OD1-CG2 3.39Å; V414-I436 WeakPolarHBondContact CG2-O 3.37Å; V414-I436 PolarHBondContact N-O 3.28Å; G415-I436 PolarHBondContact N-O 3.02Å; V434-I436 HydrophobicContact CG1-CD1 4.09Å; V434-I436 HydrophobicContact CG1-CG1 3.98Å; I436-D459 HydrophobicContact CB-CB 4.4Å; I436-D459 HydrophobicContact CG1-CB 4.23Å; I436-D459 HydrophobicContact CG2-CB 4.19Å
437	L	98.8	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.			trans	-126.3	14.7	-178.5	-71.7	157.6	0	0	0	111.3	F399 V414 L419 L422 L435 N440 L442 D459 L460 N463	F399-L437 HydrophobicContact CE2-CD2 4.19Å; F399-L437 HydrophobicContact CZ-CD2 4.11Å; V414-L437 HydrophobicContact CG2-CD2 3.35Å; V414-L437 HydrophobicContact CG2-CG 4.1Å; L419-L437 HydrophobicContact CD1-CD2 3.83Å; L422-L437 HydrophobicContact CD1-CD1 4.18Å; L422-L437 HydrophobicContact CD1-CD2 4.38Å; L422-L437 HydrophobicContact CD2-CD1 4.01Å; L435-L437 HydrophobicContact CD1-CD1 3.93Å; L435-L437 HydrophobicContact CD1-CD2 4.5Å; L435-L437 HydrophobicContact CD1-CG 3.92Å; L435-L437 HydrophobicContact CD2-CD1 3.8Å; L435-L437 HydrophobicContact CG-CD1 3.72Å; L435-L437 HydrophobicContact CG-CG 4.1Å; L437-N440 PolarHBondContact O-ND2 3.08Å; L437-L442 HydrophobicContact CB-CD1 3.93Å; L437-L442 HydrophobicContact CD1-CD1 4.12Å; L437-L442 HydrophobicContact CD2-CD1 4.2Å; L437-L442 HydrophobicContact CG-CD1 4.33Å; L437-D459 CarbonylContact C-O 3.14Å; L437-D459 WeakPolarHBondContact CA-O 3.41Å; L437-D459 PolarHBondContact N-O 2.92Å; L437-L460 HydrophobicContact CB-CD2 3.96Å; L437-L460 HydrophobicContact CD1-CD2 3.76Å; L437-N463 PolarHBondContact O-ND2 3.24Å
438	S	98.8	Very high	98.6	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.098	21%	0.211	C	C	.	.			trans	-58.9	156.6	-177.7	57.9	0	0	0	0	112.4	G415 T416 N440 D459 E461	G415-S438 CarbonylContact C-O 3.45Å; G415-S438 WeakPolarHBondContact CA-O 2.92Å; T416-S438 PolarHBondContact N-O 3.08Å; S438-N440 PolarHBondContact O-N 3.46Å; S438-N440 PolarHBondContact O-ND2 3.3Å; S438-N440 VanDerWaalsContact O-ND2 3.11Å; S438-D459 PolarHBondContact N-O 3.46Å; S438-E461 CarbonylContact C-O 3.53Å; S438-E461 WeakPolarHBondContact CA-O 3.49Å; S438-E461 WeakPolarHBondContact CB-O 3.12Å
439	N	98.8	Very high	98.6	Very high	54 Å²	54	37.9 Å²	37.9	29%	0.289	19%	0.192	S	C	.	.	S	Bend	trans	55.5	54.5	177.7	-72.6	-82	0	0	0	112.6	T416 N417 E461 E462	T416-N439 WeakPolarHBondContact CA-O 3.4Å; T416-N439 PolarHBondContact N-O 3.47Å; N417-N439 PolarHBondContact N-O 3.01Å; N417-N439 VanDerWaalsContact N-O 3.16Å; N439-E461 PolarHBondContact N-O 3.26Å; N439-E462 VanDerWaalsContact CA-O 3.24Å; N439-E462 WeakPolarHBondContact CA-O 3.4Å; N439-E462 PolarHBondContact N-O 3.17Å; N439-E462 VanDerWaalsContact OD1-CD 3.23Å; N439-E462 PolarHBondContact OD1-OE2 3.49Å
440	N	98.8	Very high	98.6	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	21%	0.211	C	C	.	.	S	Bend	trans	-130.7	-166.3	176	-84.2	-77.7	0	0	0	109.9	V414 N417 Q418 L419 L437 S438 L442 E462 N463	V414-N440 PolarHBondContact O-ND2 2.84Å; N417-N440 WeakPolarHBondContact CA-OD1 3.35Å; N417-N440 WeakPolarHBondContact CB-OD1 3.24Å; N417-N440 PolarHBondContact O-OD1 2.83Å; Q418-N440 PolarHBondContact N-OD1 3Å; L419-N440 HydrophobicContact CB-CB 4.19Å; L419-N440 VanDerWaalsContact CB-OD1 3.24Å; L419-N440 WeakPolarHBondContact CB-OD1 3.39Å; L419-N440 WeakPolarHBondContact CG-OD1 3.39Å; L419-N440 PolarHBondContact N-OD1 3.48Å; L437-N440 PolarHBondContact O-ND2 3.08Å; S438-N440 PolarHBondContact O-N 3.46Å; S438-N440 PolarHBondContact O-ND2 3.3Å; S438-N440 VanDerWaalsContact O-ND2 3.11Å; N440-L442 HydrophobicContact CB-CG 4.27Å; N440-E462 PolarHBondContact N-O 3.07Å; N440-N463 WeakPolarHBondContact CA-OD1 3.45Å; N440-N463 WeakPolarHBondContact CB-OD1 3.42Å; N440-N463 PolarHBondContact O-OD1 2.92Å
441	Q	98.6	Very high	98.6	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	20%	0.204	S	C	.	.			trans	-118.9	29.9	-177.3	-57.8	176.1	26.6	0	0	111.5	L419 T420 N463	L419-Q441 CarbonylContact O-C 3.25Å; L419-Q441 VanDerWaalsContact O-C 3.25Å; L419-Q441 VanDerWaalsContact O-CA 3.31Å; L419-Q441 WeakPolarHBondContact O-CA 3.35Å; L419-Q441 WeakPolarHBondContact O-CB 3.46Å; L419-Q441 PolarHBondContact O-N 3.08Å; T420-Q441 HydrophobicContact CG2-CB 4.26Å; Q441-N463 PolarHBondContact N-OD1 2.99Å
442	L	98.8	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.			trans	-69.6	130.8	-176.6	-59.1	176.7	0	0	0	110.8	L419 K421 L437 N440 I445 L460 N463 H464 L465	L419-L442 HydrophobicContact CB-CD2 4.19Å; L419-L442 PolarHBondContact O-N 2.88Å; K421-L442 VanDerWaalsContact C-CD2 3.42Å; L437-L442 HydrophobicContact CB-CD1 3.93Å; L437-L442 HydrophobicContact CD1-CD1 4.12Å; L437-L442 HydrophobicContact CD2-CD1 4.2Å; L437-L442 HydrophobicContact CG-CD1 4.33Å; N440-L442 HydrophobicContact CB-CG 4.27Å; L442-I445 HydrophobicContact CD1-CD1 4.25Å; L442-L460 HydrophobicContact CD1-CD2 4.33Å; L442-N463 HydrophobicContact CB-CB 4.3Å; L442-N463 VanDerWaalsContact CB-OD1 3.24Å; L442-N463 WeakPolarHBondContact CB-OD1 3.06Å; L442-N463 VanDerWaalsContact CG-OD1 3.28Å; L442-N463 WeakPolarHBondContact CG-OD1 3.33Å; L442-N463 PolarHBondContact N-OD1 2.77Å; L442-H464 CarbonylContact O-C 3.26Å; L442-H464 VanDerWaalsContact O-CA 3.23Å; L442-H464 WeakPolarHBondContact O-CA 3.21Å; L442-H464 WeakPolarHBondContact O-CB 3.48Å; L442-H464 PolarHBondContact O-N 2.94Å; L442-L465 HydrophobicContact CB-CD2 4.1Å; L442-L465 PolarHBondContact O-N 2.92Å
443	K	98.5	Very high	98.6	Very high	132 Å²	132	44.1 Å²	44.1	57%	0.574	21%	0.213	S	C	*	.			trans	-99	-25	176.1	-63.2	-173.5	179.3	-173.6	0	114.4	H464 E466	K443-H464 WeakPolarHBondContact CA-O 3.44Å; K443-H464 HydrophobicContact CG-CB 4.27Å; K443-E466 PolarHBondContact O-N 2.93Å
444	Q	98.2	Very high	98.6	Very high	124 Å²	124	45.3 Å²	45.3	58%	0.579	22%	0.217	S	C	*	.			trans	-152	156.3	-178	65.8	-176.3	35.7	0	0	109.7
445	I	98.4	Very high	98.6	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	21%	0.208	C	C	.	.			trans	-104.9	133.2	168.1	-57	-55.2	0	0	0	107.7	L422 L442 I449 L460 L465 P469	L422-I445 HydrophobicContact CD2-CG2 4.46Å; L442-I445 HydrophobicContact CD1-CD1 4.25Å; I445-I449 HydrophobicContact CG2-CB 3.85Å; I445-I449 HydrophobicContact CG2-CD1 4.19Å; I445-I449 HydrophobicContact CG2-CG1 3.95Å; I445-I449 HydrophobicContact CG2-CG2 3.97Å; I445-L460 HydrophobicContact CD1-CD1 3.93Å; I445-L460 HydrophobicContact CD1-CD2 3.63Å; I445-L460 HydrophobicContact CD1-CG 4.44Å; I445-L460 HydrophobicContact CG1-CD1 3.83Å; I445-L460 HydrophobicContact CG1-CD2 4.46Å; I445-L465 HydrophobicContact CD1-CD1 4.45Å; I445-L465 HydrophobicContact CD1-CD2 4.02Å; I445-L465 HydrophobicContact CG1-CD1 4.3Å; I445-L465 HydrophobicContact CG1-CD2 4.03Å; I445-P469 HydrophobicContact CB-CG 4.27Å; I445-P469 HydrophobicContact CG2-CG 4.43Å
446	P	98.1	Very high	98.6	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.039	22%	0.221	C	C	.	.			trans	-66.4	149.2	-179.8	29.8	-37	0	0	0	111.5	L422 D424 I426 T448 I449	L422-P446 HydrophobicContact CB-CG 4.39Å; L422-P446 HydrophobicContact CD2-CG 4.26Å; L422-P446 HydrophobicContact CG-CG 4.21Å; D424-P446 WeakPolarHBondContact OD1-CB 3.44Å; I426-P446 HydrophobicContact CG2-CG 3.99Å; P446-T448 PolarHBondContact O-N 3.14Å; P446-I449 WeakPolarHBondContact O-CB 3.41Å; P446-I449 VanDerWaalsContact O-CG2 3.25Å; P446-I449 WeakPolarHBondContact O-CG2 3.24Å; P446-I449 PolarHBondContact O-N 3.24Å; P446-I449 VanDerWaalsContact O-N 3.09Å
447	V	98.5	Very high	98.6	Very high	80 Å²	80	47.1 Å²	47.1	49%	0.485	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.7	-25.4	177.6	-62.7	0	0	0	0	112.5	I449 R450 P469 D471	V447-I449 PolarHBondContact O-N 2.91Å; V447-I449 VanDerWaalsContact O-N 3.15Å; V447-R450 WeakPolarHBondContact O-CG 3.08Å; V447-R450 PolarHBondContact O-N 2.96Å; V447-P469 HydrophobicContact CG1-CB 4.5Å; V447-D471 HydrophobicContact CB-CB 4.44Å; V447-D471 WeakPolarHBondContact O-CB 3.41Å
448	T	98.5	Very high	98.6	Very high	18 Å²	18	47.2 Å²	47.2	11%	0.11	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.3	-10.2	176.8	57	0	0	0	0	113.6	D424 E427 P446 R450 E451	D424-T448 WeakPolarHBondContact CA-OG1 3.41Å; D424-T448 HydrophobicContact CB-CG2 4.1Å; D424-T448 WeakPolarHBondContact O-CB 3.42Å; D424-T448 PolarHBondContact O-OG1 2.74Å; E427-T448 WeakPolarHBondContact OE2-CG2 3.42Å; P446-T448 PolarHBondContact O-N 3.14Å; T448-R450 PolarHBondContact O-N 3.13Å; T448-R450 VanDerWaalsContact O-N 3.09Å; T448-E451 PolarHBondContact O-N 3.3Å
449	I	98.5	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29	171.5	-162	73.1	0	0	0	112.2	L422 L435 I445 P446 V447 E451 L452 P469 L475	L422-I449 HydrophobicContact CD2-CD1 4.05Å; L435-I449 HydrophobicContact CD2-CD1 4.31Å; I445-I449 HydrophobicContact CG2-CB 3.85Å; I445-I449 HydrophobicContact CG2-CD1 4.19Å; I445-I449 HydrophobicContact CG2-CG1 3.95Å; I445-I449 HydrophobicContact CG2-CG2 3.97Å; P446-I449 WeakPolarHBondContact O-CB 3.41Å; P446-I449 VanDerWaalsContact O-CG2 3.25Å; P446-I449 WeakPolarHBondContact O-CG2 3.24Å; P446-I449 PolarHBondContact O-N 3.24Å; P446-I449 VanDerWaalsContact O-N 3.09Å; V447-I449 PolarHBondContact O-N 2.91Å; V447-I449 VanDerWaalsContact O-N 3.15Å; I449-E451 PolarHBondContact O-N 3.14Å; I449-L452 HydrophobicContact CD1-CD1 3.53Å; I449-L452 HydrophobicContact CD1-CG 4.32Å; I449-L452 HydrophobicContact CG1-CD1 4.37Å; I449-L452 WeakPolarHBondContact O-CB 3.47Å; I449-L452 PolarHBondContact O-N 2.89Å; I449-P469 HydrophobicContact CG2-CG 4.36Å; I449-L475 WeakPolarHBondContact O-CD2 3.15Å
450	R	98.3	Very high	98.6	Very high	104 Å²	104	44.6 Å²	44.6	39%	0.392	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-55	-25	176.7	70.1	-174.3	-159.4	-169.1	-0.8	113.6	V447 T448 L452 Q453 D471 Y474	V447-R450 WeakPolarHBondContact O-CG 3.08Å; V447-R450 PolarHBondContact O-N 2.96Å; T448-R450 PolarHBondContact O-N 3.13Å; T448-R450 VanDerWaalsContact O-N 3.09Å; R450-L452 PolarHBondContact O-N 3.02Å; R450-Q453 PolarHBondContact O-NE2 3.38Å; R450-D471 HydrophobicContact CB-CB 4.12Å; R450-D471 WeakPolarHBondContact CD-OD1 3.4Å; R450-D471 IonicContact NH1-OD1 3.75Å; R450-Y474 HydrophobicContact CB-CD2 4.22Å; R450-Y474 HydrophobicContact CB-CG 4.15Å
451	E	98.5	Very high	98.6	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-75.6	-12.4	-177.3	-56.6	-60.4	147.5	0	0	112.1	E427 T448 I449 Q453	E427-E451 HydrophobicContact CB-CB 3.85Å; E427-E451 HydrophobicContact CB-CG 3.78Å; T448-E451 PolarHBondContact O-N 3.3Å; I449-E451 PolarHBondContact O-N 3.14Å; E451-Q453 PolarHBondContact O-N 3.23Å
452	L	98.6	Very high	98.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.			trans	-77.9	58.4	177.4	-55.1	-170.5	0	0	0	112.4	I426 L429 L432 L435 I449 R450 K454 L455 L475	I426-L452 HydrophobicContact CG1-CD1 4.13Å; I426-L452 WeakPolarHBondContact O-CD2 3.49Å; L429-L452 HydrophobicContact CB-CD2 4.2Å; L429-L452 VanDerWaalsContact O-CD2 3.29Å; L429-L452 WeakPolarHBondContact O-CD2 3.5Å; L432-L452 HydrophobicContact CD2-CD1 4.12Å; L435-L452 HydrophobicContact CD2-CD1 4.31Å; I449-L452 HydrophobicContact CD1-CD1 3.53Å; I449-L452 HydrophobicContact CD1-CG 4.32Å; I449-L452 HydrophobicContact CG1-CD1 4.37Å; I449-L452 WeakPolarHBondContact O-CB 3.47Å; I449-L452 PolarHBondContact O-N 2.89Å; R450-L452 PolarHBondContact O-N 3.02Å; L452-K454 PolarHBondContact O-N 2.79Å; L452-L455 HydrophobicContact CB-CB 4.07Å; L452-L455 HydrophobicContact CD1-CD1 4.47Å; L452-L455 HydrophobicContact CD1-CD2 4.24Å; L452-L455 VanDerWaalsContact O-CB 3.23Å; L452-L455 WeakPolarHBondContact O-CB 3.22Å; L452-L455 PolarHBondContact O-N 2.83Å; L452-L475 HydrophobicContact CB-CD2 4.11Å; L452-L475 WeakPolarHBondContact O-CD2 3.34Å
453	Q	98.1	Very high	98.6	Very high	99 Å²	99	46.9 Å²	46.9	46%	0.463	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.3	-171.7	-68.4	-67.4	-58.8	0	0	114.9	R450 E451 Y474 E477	R450-Q453 PolarHBondContact O-NE2 3.38Å; E451-Q453 PolarHBondContact O-N 3.23Å; Q453-Y474 PolarHBondContact NE2-O 3.01Å; Q453-E477 WeakPolarHBondContact O-CG 3.35Å
454	K	98.7	Very high	98.6	Very high	91 Å²	91	43.7 Å²	43.7	40%	0.396	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.5	176	-63.2	-169.9	-172.8	172.5	0	114	N431 L432 E433 L452 Q456	N431-K454 PolarHBondContact OD1-NZ 3.11Å; L432-K454 CarbonylContact O-C 3.11Å; L432-K454 VanDerWaalsContact O-C 3.32Å; E433-K454 HydrophobicContact CG-CB 4.17Å; L452-K454 PolarHBondContact O-N 2.79Å; K454-Q456 PolarHBondContact O-N 2.81Å
455	L	98.9	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.			trans	-66.2	121.2	-172.3	-161.1	72.3	0	0	0	110.8	L432 L435 L452 L458 L475 E477 L478	L432-L455 HydrophobicContact CB-CD1 4.37Å; L432-L455 HydrophobicContact CD2-CD1 4.18Å; L432-L455 HydrophobicContact CG-CD1 4.12Å; L432-L455 WeakPolarHBondContact O-CA 3.41Å; L432-L455 PolarHBondContact O-N 3.14Å; L435-L455 HydrophobicContact CB-CD1 3.82Å; L452-L455 HydrophobicContact CB-CB 4.07Å; L452-L455 HydrophobicContact CD1-CD1 4.47Å; L452-L455 HydrophobicContact CD1-CD2 4.24Å; L452-L455 VanDerWaalsContact O-CB 3.23Å; L452-L455 WeakPolarHBondContact O-CB 3.22Å; L452-L455 PolarHBondContact O-N 2.83Å; L455-L458 HydrophobicContact CD2-CB 3.94Å; L455-L458 HydrophobicContact CD2-CD1 4.27Å; L455-L458 HydrophobicContact CD2-CD2 4.33Å; L455-L458 HydrophobicContact CD2-CG 4.41Å; L455-L475 HydrophobicContact CB-CD2 4.37Å; L455-L475 HydrophobicContact CD2-CD1 4.05Å; L455-E477 CarbonylContact O-C 3.22Å; L455-E477 VanDerWaalsContact O-C 3.26Å; L455-L478 HydrophobicContact CB-CD1 4.42Å; L455-L478 HydrophobicContact CD2-CD1 4.17Å; L455-L478 HydrophobicContact CG-CD1 4.11Å; L455-L478 VanDerWaalsContact O-CA 3.22Å; L455-L478 WeakPolarHBondContact O-CA 3.46Å; L455-L478 PolarHBondContact O-N 2.95Å; L455-L478 VanDerWaalsContact O-N 3.13Å
456	Q	98.9	Very high	98.6	Very high	60 Å²	60	42.9 Å²	42.9	28%	0.28	20%	0.204	S	C	.	.			trans	-104.8	-34.1	179.6	-66.3	172.6	21.9	0	0	111.7	E433 K454 Q479 R480	E433-Q456 PolarHBondContact O-N 3.07Å; K454-Q456 PolarHBondContact O-N 2.81Å; Q456-Q479 PolarHBondContact O-N 2.91Å; Q456-R480 PolarHBondContact O-N 2.91Å
457	V	98.9	Very high	98.6	Very high	33 Å²	33	45.7 Å²	45.7	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.3	-179.7	-177.7	0	0	0	0	109.9	E433 V434 L435 R480	E433-V457 PolarHBondContact O-N 3.28Å; V434-V457 HydrophobicContact CB-CB 4.49Å; V434-V457 HydrophobicContact CG1-CB 4.19Å; V434-V457 HydrophobicContact CG1-CG1 4.41Å; V434-V457 HydrophobicContact CG2-CB 4.25Å; V434-V457 HydrophobicContact CG2-CG2 4.34Å; L435-V457 PolarHBondContact N-O 2.84Å; V457-R480 HydrophobicContact CG1-CB 4.3Å; V457-R480 HydrophobicContact CG1-CG 4.46Å; V457-R480 HydrophobicContact CG2-CB 4.27Å
458	L	98.9	Very high	98.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.5	171.3	179.9	56.8	0	0	0	109.7	L435 L455 L460 I472 L475 L478 R480 L481 V482	L435-L458 HydrophobicContact CB-CD1 4.14Å; L435-L458 HydrophobicContact CD2-CD1 3.97Å; L435-L458 HydrophobicContact CG-CD1 4.05Å; L455-L458 HydrophobicContact CD2-CB 3.94Å; L455-L458 HydrophobicContact CD2-CD1 4.27Å; L455-L458 HydrophobicContact CD2-CD2 4.33Å; L455-L458 HydrophobicContact CD2-CG 4.41Å; L458-L460 HydrophobicContact CD1-CD1 4.32Å; L458-L460 HydrophobicContact CD1-CD2 3.97Å; L458-L460 HydrophobicContact CD1-CG 3.97Å; L458-L460 HydrophobicContact CD2-CD1 3.98Å; L458-L460 HydrophobicContact CD2-CG 4.46Å; L458-L460 HydrophobicContact CG-CD1 4.01Å; L458-L460 HydrophobicContact CG-CD2 4.5Å; L458-L460 HydrophobicContact CG-CG 3.96Å; L458-I472 HydrophobicContact CD2-CD1 3.67Å; L458-L475 HydrophobicContact CD2-CD1 4.33Å; L458-L478 HydrophobicContact CB-CD1 3.88Å; L458-R480 PolarHBondContact N-O 3.15Å; L458-L481 HydrophobicContact CB-CD1 4.09Å; L458-L481 HydrophobicContact CD2-CD1 3.92Å; L458-L481 HydrophobicContact CG-CD1 4.04Å; L458-V482 PolarHBondContact O-N 2.77Å
459	D	98.9	Very high	98.6	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.6	179	-157.7	-36.9	0	0	0	110.7	L435 I436 L437 S438 E461 R480	L435-D459 PolarHBondContact O-N 3.07Å; I436-D459 HydrophobicContact CB-CB 4.4Å; I436-D459 HydrophobicContact CG1-CB 4.23Å; I436-D459 HydrophobicContact CG2-CB 4.19Å; L437-D459 CarbonylContact C-O 3.14Å; L437-D459 WeakPolarHBondContact CA-O 3.41Å; L437-D459 PolarHBondContact N-O 2.92Å; S438-D459 PolarHBondContact N-O 3.46Å; D459-E461 VanDerWaalsContact OD1-CB 3.32Å; D459-E461 WeakPolarHBondContact OD1-CB 3.28Å; D459-E461 PolarHBondContact OD1-N 3.32Å; D459-E461 VanDerWaalsContact OD1-N 3.16Å; D459-R480 IonicContact OD2-NH1 2.69Å; D459-R480 PolarHBondContact OD2-NH1 3.23Å
460	L	98.9	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.			trans	-122.3	15.9	-178.1	-59.7	172.4	0	0	0	111.2	L437 L442 I445 L458 N463 L465 L468 V482 V483 N486	L437-L460 HydrophobicContact CB-CD2 3.96Å; L437-L460 HydrophobicContact CD1-CD2 3.76Å; L442-L460 HydrophobicContact CD1-CD2 4.33Å; I445-L460 HydrophobicContact CD1-CD1 3.93Å; I445-L460 HydrophobicContact CD1-CD2 3.63Å; I445-L460 HydrophobicContact CD1-CG 4.44Å; I445-L460 HydrophobicContact CG1-CD1 3.83Å; I445-L460 HydrophobicContact CG1-CD2 4.46Å; L458-L460 HydrophobicContact CD1-CD1 4.32Å; L458-L460 HydrophobicContact CD1-CD2 3.97Å; L458-L460 HydrophobicContact CD1-CG 3.97Å; L458-L460 HydrophobicContact CD2-CD1 3.98Å; L458-L460 HydrophobicContact CD2-CG 4.46Å; L458-L460 HydrophobicContact CG-CD1 4.01Å; L458-L460 HydrophobicContact CG-CD2 4.5Å; L458-L460 HydrophobicContact CG-CG 3.96Å; L460-N463 PolarHBondContact O-ND2 3.19Å; L460-N463 VanDerWaalsContact O-ND2 3.09Å; L460-L465 HydrophobicContact CB-CD1 3.86Å; L460-L465 HydrophobicContact CD1-CD1 3.82Å; L460-L465 HydrophobicContact CG-CD1 4.32Å; L460-L468 HydrophobicContact CD1-CD2 4.29Å; L460-V482 CarbonylContact C-O 3.13Å; L460-V482 WeakPolarHBondContact CA-O 3.31Å; L460-V482 WeakPolarHBondContact CB-O 3.24Å; L460-V482 PolarHBondContact N-O 3.37Å; L460-V483 HydrophobicContact CB-CG1 4.05Å; L460-V483 HydrophobicContact CD1-CG1 3.96Å; L460-V483 HydrophobicContact CG-CG1 4.5Å; L460-N486 PolarHBondContact O-ND2 2.99Å
461	E	98.8	Very high	98.6	Very high	42 Å²	42	41.6 Å²	41.6	20%	0.196	21%	0.211	C	C	.	.			trans	-52.6	145.7	179.9	178.3	164.4	-137.4	0	0	112	S438 N439 D459 N463 V482 Q484	S438-E461 CarbonylContact C-O 3.53Å; S438-E461 WeakPolarHBondContact CA-O 3.49Å; S438-E461 WeakPolarHBondContact CB-O 3.12Å; N439-E461 PolarHBondContact N-O 3.26Å; D459-E461 VanDerWaalsContact OD1-CB 3.32Å; D459-E461 WeakPolarHBondContact OD1-CB 3.28Å; D459-E461 PolarHBondContact OD1-N 3.32Å; D459-E461 VanDerWaalsContact OD1-N 3.16Å; E461-N463 PolarHBondContact O-ND2 2.81Å; E461-N463 VanDerWaalsContact O-ND2 3.15Å; E461-V482 HydrophobicContact CB-CG1 3.81Å; E461-V482 HydrophobicContact CG-CG1 4.48Å; E461-V482 PolarHBondContact N-O 2.81Å; E461-Q484 CarbonylContact C-O 3.59Å; E461-Q484 VanDerWaalsContact CA-O 3.31Å; E461-Q484 WeakPolarHBondContact CA-O 3.27Å; E461-Q484 HydrophobicContact CG-CB 4.13Å
462	E	98.7	Very high	98.6	Very high	92 Å²	92	38 Å²	38	43%	0.43	19%	0.194	S	C	.	.	S	Bend	trans	54.2	63.8	174.7	-70.8	-174.3	-120.4	0	0	112.8	N439 N440 Q484 S485	N439-E462 VanDerWaalsContact CA-O 3.24Å; N439-E462 WeakPolarHBondContact CA-O 3.4Å; N439-E462 PolarHBondContact N-O 3.17Å; N439-E462 VanDerWaalsContact OD1-CD 3.23Å; N439-E462 PolarHBondContact OD1-OE2 3.49Å; N440-E462 PolarHBondContact N-O 3.07Å; E462-Q484 PolarHBondContact N-O 2.94Å; E462-S485 VanDerWaalsContact CA-O 3.27Å; E462-S485 WeakPolarHBondContact CA-O 3.48Å; E462-S485 PolarHBondContact N-O 3.04Å
463	N	98.9	Very high	98.6	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.032	20%	0.197	C	C	.	.	S	Bend	trans	-130.4	-161.3	174.8	-87.5	-82.3	0	0	0	110.2	L437 N440 Q441 L442 L460 E461 L465 S485 N486	L437-N463 PolarHBondContact O-ND2 3.24Å; N440-N463 WeakPolarHBondContact CA-OD1 3.45Å; N440-N463 WeakPolarHBondContact CB-OD1 3.42Å; N440-N463 PolarHBondContact O-OD1 2.92Å; Q441-N463 PolarHBondContact N-OD1 2.99Å; L442-N463 HydrophobicContact CB-CB 4.3Å; L442-N463 VanDerWaalsContact CB-OD1 3.24Å; L442-N463 WeakPolarHBondContact CB-OD1 3.06Å; L442-N463 VanDerWaalsContact CG-OD1 3.28Å; L442-N463 WeakPolarHBondContact CG-OD1 3.33Å; L442-N463 PolarHBondContact N-OD1 2.77Å; L460-N463 PolarHBondContact O-ND2 3.19Å; L460-N463 VanDerWaalsContact O-ND2 3.09Å; E461-N463 PolarHBondContact O-ND2 2.81Å; E461-N463 VanDerWaalsContact O-ND2 3.15Å; N463-L465 HydrophobicContact CB-CG 4.22Å; N463-S485 PolarHBondContact N-O 3.08Å; N463-N486 WeakPolarHBondContact CA-OD1 3.43Å; N463-N486 WeakPolarHBondContact CB-OD1 3.28Å; N463-N486 PolarHBondContact N-OD1 3.08Å; N463-N486 PolarHBondContact O-OD1 2.77Å
464	H	98.5	Very high	98.6	Very high	65 Å²	65	39 Å²	39	30%	0.301	20%	0.196	S	C	.	.			trans	-121.6	31.3	178.3	-59.6	-26	0	0	0	111.7	L442 K443 E466 N486	L442-H464 CarbonylContact O-C 3.26Å; L442-H464 VanDerWaalsContact O-CA 3.23Å; L442-H464 WeakPolarHBondContact O-CA 3.21Å; L442-H464 WeakPolarHBondContact O-CB 3.48Å; L442-H464 PolarHBondContact O-N 2.94Å; K443-H464 WeakPolarHBondContact CA-O 3.44Å; K443-H464 HydrophobicContact CG-CB 4.27Å; H464-E466 PolarHBondContact O-N 2.9Å; H464-N486 PolarHBondContact N-OD1 2.94Å
465	L	98.7	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.			trans	-68.2	123.4	-176.2	-60.3	175.4	0	0	0	110.8	L442 I445 L460 N463 L468 N486 R487 L488	L442-L465 HydrophobicContact CB-CD2 4.1Å; L442-L465 PolarHBondContact O-N 2.92Å; I445-L465 HydrophobicContact CD1-CD1 4.45Å; I445-L465 HydrophobicContact CD1-CD2 4.02Å; I445-L465 HydrophobicContact CG1-CD1 4.3Å; I445-L465 HydrophobicContact CG1-CD2 4.03Å; L460-L465 HydrophobicContact CB-CD1 3.86Å; L460-L465 HydrophobicContact CD1-CD1 3.82Å; L460-L465 HydrophobicContact CG-CD1 4.32Å; N463-L465 HydrophobicContact CB-CG 4.22Å; L465-L468 HydrophobicContact CD1-CD2 4.32Å; L465-N486 HydrophobicContact CB-CB 4.2Å; L465-N486 VanDerWaalsContact CB-OD1 3.28Å; L465-N486 WeakPolarHBondContact CB-OD1 3.16Å; L465-N486 VanDerWaalsContact CG-OD1 3.31Å; L465-N486 WeakPolarHBondContact CG-OD1 3.43Å; L465-N486 PolarHBondContact N-OD1 3.06Å; L465-R487 CarbonylContact O-C 3.29Å; L465-R487 VanDerWaalsContact O-CA 3.28Å; L465-R487 WeakPolarHBondContact O-CA 3.11Å; L465-R487 WeakPolarHBondContact O-CB 3.14Å; L465-R487 PolarHBondContact O-N 3.04Å; L465-L488 HydrophobicContact CB-CD2 4.04Å; L465-L488 PolarHBondContact O-N 2.94Å
466	E	98.2	Very high	98.5	Very high	117 Å²	117	36 Å²	36	55%	0.547	19%	0.19	S	C	.	.	S	Bend	trans	-89.8	-25.4	176.9	-64.5	175.3	-167.4	0	0	112.1	K443 H464	K443-E466 PolarHBondContact O-N 2.93Å; H464-E466 PolarHBondContact O-N 2.9Å
467	S	98.2	Very high	98.5	Very high	65 Å²	65	37.6 Å²	37.6	46%	0.455	20%	0.198	S	C	.	.			trans	-155.6	162.4	175.6	59.4	0	0	0	0	111.2	L488	S467-L488 VanDerWaalsContact CA-CD2 3.45Å
468	L	98.5	Very high	98.5	Very high	8 Å²	8	36 Å²	36	4%	0.042	19%	0.188	C	C	.	.			trans	-100.2	139.6	164	-64.8	177.1	0	0	0	109.4	L460 L465 L481 V483 L488 L491 P492	L460-L468 HydrophobicContact CD1-CD2 4.29Å; L465-L468 HydrophobicContact CD1-CD2 4.32Å; L468-L481 HydrophobicContact CD1-CD2 4.4Å; L468-V483 HydrophobicContact CD1-CG1 4.16Å; L468-V483 HydrophobicContact CD2-CG1 4.1Å; L468-L488 HydrophobicContact CD1-CD1 4.43Å; L468-L488 HydrophobicContact CG-CD1 4.3Å; L468-L488 HydrophobicContact CG-CD2 4.21Å; L468-L491 HydrophobicContact CD1-CD2 4.21Å; L468-P492 HydrophobicContact CB-CG 4.19Å
469	P	98.1	Very high	98.5	Very high	15 Å²	15	39.5 Å²	39.5	10%	0.097	21%	0.205	C	C	.	.			trans	-67	145.1	175.7	29.3	-34.8	0	0	0	110.4	I445 V447 I449 D471 I472	I445-P469 HydrophobicContact CB-CG 4.27Å; I445-P469 HydrophobicContact CG2-CG 4.43Å; V447-P469 HydrophobicContact CG1-CB 4.5Å; I449-P469 HydrophobicContact CG2-CG 4.36Å; P469-D471 HydrophobicContact CB-CB 4.31Å; P469-D471 PolarHBondContact O-N 3.42Å; P469-I472 WeakPolarHBondContact O-CB 3.25Å; P469-I472 VanDerWaalsContact O-CG2 3.27Å; P469-I472 WeakPolarHBondContact O-CG2 3.22Å; P469-I472 PolarHBondContact O-N 3.41Å
470	P	98.5	Very high	98.5	Very high	65 Å²	65	41.2 Å²	41.2	42%	0.422	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-52	-29.7	171.3	-28.6	37.1	0	0	0	113.2	I472 G473 E494	P470-I472 PolarHBondContact O-N 2.93Å; P470-I472 VanDerWaalsContact O-N 3.09Å; P470-G473 PolarHBondContact O-N 3.27Å; P470-G473 VanDerWaalsContact O-N 3.1Å; P470-E494 HydrophobicContact CB-CG 4.08Å; P470-E494 WeakPolarHBondContact O-CB 3.23Å
471	D	98.5	Very high	98.5	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.144	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.1	-17.6	176.7	-66.5	-90.5	0	0	0	114.2	V447 R450 P469 G473 Y474	V447-D471 HydrophobicContact CB-CB 4.44Å; V447-D471 WeakPolarHBondContact O-CB 3.41Å; R450-D471 HydrophobicContact CB-CB 4.12Å; R450-D471 WeakPolarHBondContact CD-OD1 3.4Å; R450-D471 IonicContact NH1-OD1 3.75Å; P469-D471 HydrophobicContact CB-CB 4.31Å; P469-D471 PolarHBondContact O-N 3.42Å; D471-G473 PolarHBondContact O-N 3.09Å; D471-Y474 WeakPolarHBondContact O-CD2 3.46Å; D471-Y474 PolarHBondContact O-N 2.81Å; D471-Y474 VanDerWaalsContact O-N 3.14Å
472	I	98.5	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.8	172.4	-160.7	74	0	0	0	111.9	L458 P469 P470 Y474 L475 P492 L498	L458-I472 HydrophobicContact CD2-CD1 3.67Å; P469-I472 WeakPolarHBondContact O-CB 3.25Å; P469-I472 VanDerWaalsContact O-CG2 3.27Å; P469-I472 WeakPolarHBondContact O-CG2 3.22Å; P469-I472 PolarHBondContact O-N 3.41Å; P470-I472 PolarHBondContact O-N 2.93Å; P470-I472 VanDerWaalsContact O-N 3.09Å; I472-Y474 PolarHBondContact O-N 3.11Å; I472-L475 HydrophobicContact CD1-CD1 3.49Å; I472-L475 VanDerWaalsContact CD1-CD1 3.49Å; I472-L475 HydrophobicContact CG1-CD1 4.18Å; I472-L475 WeakPolarHBondContact O-CB 3.25Å; I472-L475 WeakPolarHBondContact O-CG 3.38Å; I472-L475 PolarHBondContact O-N 3.06Å; I472-L475 VanDerWaalsContact O-N 3.11Å; I472-P492 HydrophobicContact CG2-CG 3.94Å; I472-L498 WeakPolarHBondContact O-CD2 3.29Å
473	G	98.3	Very high	98.5	Very high	6 Å²	6	35 Å²	35	6%	0.062	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.3	-1.3	-180	0	0	0	0	0	115	P470 D471 E494 R497	P470-G473 PolarHBondContact O-N 3.27Å; P470-G473 VanDerWaalsContact O-N 3.1Å; D471-G473 PolarHBondContact O-N 3.09Å; G473-E494 VanDerWaalsContact CA-O 3.3Å; G473-E494 WeakPolarHBondContact CA-O 3.39Å; G473-R497 WeakPolarHBondContact O-CB 3.36Å
474	Y	98.4	Very high	98.5	Very high	114 Å²	114	35.2 Å²	35.2	45%	0.447	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-89.3	-6.7	171.6	-70.2	-92.6	0	0	0	113.2	R450 Q453 D471 I472 G476	R450-Y474 HydrophobicContact CB-CD2 4.22Å; R450-Y474 HydrophobicContact CB-CG 4.15Å; Q453-Y474 PolarHBondContact NE2-O 3.01Å; D471-Y474 WeakPolarHBondContact O-CD2 3.46Å; D471-Y474 PolarHBondContact O-N 2.81Å; D471-Y474 VanDerWaalsContact O-N 3.14Å; I472-Y474 PolarHBondContact O-N 3.11Å; Y474-G476 PolarHBondContact O-N 3.23Å
475	L	98.6	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.			trans	-78.3	69.1	177.9	-58.4	179	0	0	0	110.8	I449 L452 L455 L458 I472 E477 L478 L498	I449-L475 WeakPolarHBondContact O-CD2 3.15Å; L452-L475 HydrophobicContact CB-CD2 4.11Å; L452-L475 WeakPolarHBondContact O-CD2 3.34Å; L455-L475 HydrophobicContact CB-CD2 4.37Å; L455-L475 HydrophobicContact CD2-CD1 4.05Å; L458-L475 HydrophobicContact CD2-CD1 4.33Å; I472-L475 HydrophobicContact CD1-CD1 3.49Å; I472-L475 VanDerWaalsContact CD1-CD1 3.49Å; I472-L475 HydrophobicContact CG1-CD1 4.18Å; I472-L475 WeakPolarHBondContact O-CB 3.25Å; I472-L475 WeakPolarHBondContact O-CG 3.38Å; I472-L475 PolarHBondContact O-N 3.06Å; I472-L475 VanDerWaalsContact O-N 3.11Å; L475-E477 PolarHBondContact O-N 2.99Å; L475-E477 VanDerWaalsContact O-N 3.14Å; L475-L478 HydrophobicContact CB-CB 3.96Å; L475-L478 HydrophobicContact CB-CD2 4.42Å; L475-L478 HydrophobicContact CD1-CD1 4.38Å; L475-L478 HydrophobicContact CD1-CD2 4.14Å; L475-L478 VanDerWaalsContact O-CB 3.25Å; L475-L478 WeakPolarHBondContact O-CB 3.28Å; L475-L478 PolarHBondContact O-N 2.93Å; L475-L498 HydrophobicContact CB-CD2 4.03Å; L475-L498 VanDerWaalsContact O-CD2 3.3Å; L475-L498 WeakPolarHBondContact O-CD2 3.23Å
476	G	96.9	Very high	98.5	Very high	26 Å²	26	34 Å²	34	27%	0.268	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.9	-171.7	0	0	0	0	0	114.7	Y474 N500	Y474-G476 PolarHBondContact O-N 3.23Å; G476-N500 WeakPolarHBondContact O-CB 3.35Å; G476-N500 PolarHBondContact O-ND2 2.98Å
477	E	98.6	Very high	98.5	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.439	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	179	-63.1	-57.9	135.3	0	0	114	Q453 L455 L475 Q479	Q453-E477 WeakPolarHBondContact O-CG 3.35Å; L455-E477 CarbonylContact O-C 3.22Å; L455-E477 VanDerWaalsContact O-C 3.26Å; L475-E477 PolarHBondContact O-N 2.99Å; L475-E477 VanDerWaalsContact O-N 3.14Å; E477-Q479 PolarHBondContact O-N 2.95Å
478	L	98.8	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-67.5	124.3	-174.4	-159.7	72.5	0	0	0	111.3	L455 L458 L475 L481 L498 N500 L501	L455-L478 HydrophobicContact CB-CD1 4.42Å; L455-L478 HydrophobicContact CD2-CD1 4.17Å; L455-L478 HydrophobicContact CG-CD1 4.11Å; L455-L478 VanDerWaalsContact O-CA 3.22Å; L455-L478 WeakPolarHBondContact O-CA 3.46Å; L455-L478 PolarHBondContact O-N 2.95Å; L455-L478 VanDerWaalsContact O-N 3.13Å; L458-L478 HydrophobicContact CB-CD1 3.88Å; L475-L478 HydrophobicContact CB-CB 3.96Å; L475-L478 HydrophobicContact CB-CD2 4.42Å; L475-L478 HydrophobicContact CD1-CD1 4.38Å; L475-L478 HydrophobicContact CD1-CD2 4.14Å; L475-L478 VanDerWaalsContact O-CB 3.25Å; L475-L478 WeakPolarHBondContact O-CB 3.28Å; L475-L478 PolarHBondContact O-N 2.93Å; L478-L481 HydrophobicContact CD2-CB 4Å; L478-L481 HydrophobicContact CD2-CD1 4.34Å; L478-L498 HydrophobicContact CB-CD2 4.17Å; L478-L498 HydrophobicContact CD2-CD1 4.04Å; L478-L498 HydrophobicContact CD2-CD2 4.27Å; L478-N500 CarbonylContact O-C 3.38Å; L478-L501 HydrophobicContact CB-CD1 4.5Å; L478-L501 HydrophobicContact CD2-CD1 4.18Å; L478-L501 HydrophobicContact CG-CD1 4.16Å; L478-L501 WeakPolarHBondContact O-CA 3.35Å; L478-L501 PolarHBondContact O-N 3.09Å; L478-L501 VanDerWaalsContact O-N 3.13Å
479	Q	98.9	Very high	98.5	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	17%	0.167	S	C	.	.			trans	-109.2	-33	-179.2	-64.7	175.7	12.6	0	0	112.2	Q456 E477 I502 Y503	Q456-Q479 PolarHBondContact O-N 2.91Å; E477-Q479 PolarHBondContact O-N 2.95Å; Q479-I502 HydrophobicContact CB-CD1 4.45Å; Q479-I502 HydrophobicContact CG-CD1 4.49Å; Q479-I502 PolarHBondContact O-N 3.48Å; Q479-Y503 PolarHBondContact O-N 3.26Å
480	R	98.9	Very high	98.5	Very high	50 Å²	50	35 Å²	35	19%	0.189	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.5	-180	-176.8	173.7	-170.6	-98.8	3.9	110.6	Q456 V457 L458 D459 V482 Y503	Q456-R480 PolarHBondContact O-N 2.91Å; V457-R480 HydrophobicContact CG1-CB 4.3Å; V457-R480 HydrophobicContact CG1-CG 4.46Å; V457-R480 HydrophobicContact CG2-CB 4.27Å; L458-R480 PolarHBondContact N-O 3.15Å; D459-R480 IonicContact OD2-NH1 2.69Å; D459-R480 PolarHBondContact OD2-NH1 3.23Å; R480-V482 HydrophobicContact CG-CG2 3.99Å; R480-V482 VanDerWaalsContact NH1-CG2 3.31Å; R480-Y503 WeakPolarHBondContact CA-O 3.21Å; R480-Y503 HydrophobicContact CG-CD1 3.77Å; R480-Y503 HydrophobicContact CG-CG 4.14Å
481	L	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.6	171.6	179.5	59.4	0	0	0	109.4	L458 L468 L478 V483 I495 L498 L501 Y503 L504 A505	L458-L481 HydrophobicContact CB-CD1 4.09Å; L458-L481 HydrophobicContact CD2-CD1 3.92Å; L458-L481 HydrophobicContact CG-CD1 4.04Å; L468-L481 HydrophobicContact CD1-CD2 4.4Å; L478-L481 HydrophobicContact CD2-CB 4Å; L478-L481 HydrophobicContact CD2-CD1 4.34Å; L481-V483 HydrophobicContact CD1-CG1 3.86Å; L481-V483 HydrophobicContact CG-CG1 4.18Å; L481-I495 HydrophobicContact CD2-CD1 3.79Å; L481-L498 HydrophobicContact CD2-CD1 4.31Å; L481-L501 HydrophobicContact CB-CD1 3.9Å; L481-Y503 PolarHBondContact N-O 3.18Å; L481-L504 HydrophobicContact CB-CD1 3.98Å; L481-L504 HydrophobicContact CD2-CD1 3.89Å; L481-L504 HydrophobicContact CG-CD1 4.01Å; L481-L504 WeakPolarHBondContact O-CA 3.35Å; L481-A505 PolarHBondContact O-N 3.44Å
482	V	98.9	Very high	98.5	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.1	176.1	-170.5	0	0	0	0	108.7	L458 L460 E461 R480 Q484 Y503 A505	L458-V482 PolarHBondContact O-N 2.77Å; L460-V482 CarbonylContact C-O 3.13Å; L460-V482 WeakPolarHBondContact CA-O 3.31Å; L460-V482 WeakPolarHBondContact CB-O 3.24Å; L460-V482 PolarHBondContact N-O 3.37Å; E461-V482 HydrophobicContact CB-CG1 3.81Å; E461-V482 HydrophobicContact CG-CG1 4.48Å; E461-V482 PolarHBondContact N-O 2.81Å; R480-V482 HydrophobicContact CG-CG2 3.99Å; R480-V482 VanDerWaalsContact NH1-CG2 3.31Å; V482-Q484 HydrophobicContact CG1-CB 4.22Å; V482-Y503 HydrophobicContact CG2-CD1 4.29Å; V482-Y503 HydrophobicContact CG2-CE1 3.96Å; V482-A505 HydrophobicContact CG1-CB 4.11Å
483	V	98.7	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.			trans	-130.5	22.1	175.3	-61.5	0	0	0	0	111	L460 L468 L481 N486 L488 A505 V506 N509	L460-V483 HydrophobicContact CB-CG1 4.05Å; L460-V483 HydrophobicContact CD1-CG1 3.96Å; L460-V483 HydrophobicContact CG-CG1 4.5Å; L468-V483 HydrophobicContact CD1-CG1 4.16Å; L468-V483 HydrophobicContact CD2-CG1 4.1Å; L481-V483 HydrophobicContact CD1-CG1 3.86Å; L481-V483 HydrophobicContact CG-CG1 4.18Å; V483-N486 PolarHBondContact O-ND2 3.03Å; V483-L488 HydrophobicContact CB-CD1 3.93Å; V483-L488 HydrophobicContact CG2-CD1 3.57Å; V483-A505 CarbonylContact C-O 3.43Å; V483-A505 WeakPolarHBondContact CG2-O 3.48Å; V483-A505 PolarHBondContact N-O 3.44Å; V483-V506 HydrophobicContact CG2-CB 4.12Å; V483-V506 HydrophobicContact CG2-CG1 3.47Å; V483-V506 VanDerWaalsContact CG2-CG1 3.47Å; V483-N509 PolarHBondContact O-ND2 2.92Å
484	Q	98.3	Very high	98.5	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.056	19%	0.193	C	C	.	.			trans	-51.2	148	173.7	-172.3	73.8	18	0	0	110.7	E461 E462 V482 N486 A505 G507 E508	E461-Q484 CarbonylContact C-O 3.59Å; E461-Q484 VanDerWaalsContact CA-O 3.31Å; E461-Q484 WeakPolarHBondContact CA-O 3.27Å; E461-Q484 HydrophobicContact CG-CB 4.13Å; E462-Q484 PolarHBondContact N-O 2.94Å; V482-Q484 HydrophobicContact CG1-CB 4.22Å; Q484-N486 PolarHBondContact O-ND2 3.02Å; Q484-N486 VanDerWaalsContact O-ND2 3.16Å; Q484-A505 PolarHBondContact N-O 2.83Å; Q484-G507 WeakPolarHBondContact CA-O 3.47Å; Q484-G507 PolarHBondContact NE2-O 3.47Å; Q484-G507 VanDerWaalsContact OE1-C 3.23Å; Q484-G507 PolarHBondContact OE1-O 3.35Å; Q484-E508 VanDerWaalsContact NE2-CG 3.32Å; Q484-E508 PolarHBondContact NE2-OE1 3.01Å
485	S	98.6	Very high	98.5	Very high	27 Å²	27	35 Å²	35	19%	0.189	17%	0.171	C	C	.	.	S	Bend	trans	59.2	54.5	173.1	-58.2	0	0	0	0	112.6	E462 N463 G507 E508	E462-S485 VanDerWaalsContact CA-O 3.27Å; E462-S485 WeakPolarHBondContact CA-O 3.48Å; E462-S485 PolarHBondContact N-O 3.04Å; N463-S485 PolarHBondContact N-O 3.08Å; S485-G507 PolarHBondContact N-O 3.16Å; S485-G507 VanDerWaalsContact N-O 3.14Å; S485-E508 WeakPolarHBondContact CA-O 3.22Å; S485-E508 PolarHBondContact N-O 3.41Å
486	N	98.8	Very high	98.4	Very high	11 Å²	11	35 Å²	35	6%	0.059	17%	0.172	C	C	.	.	S	Bend	trans	-127.9	-163.2	175.4	-85.8	-80.1	0	0	0	109.8	L460 N463 H464 L465 V483 Q484 L488 E508 N509	L460-N486 PolarHBondContact O-ND2 2.99Å; N463-N486 WeakPolarHBondContact CA-OD1 3.43Å; N463-N486 WeakPolarHBondContact CB-OD1 3.28Å; N463-N486 PolarHBondContact N-OD1 3.08Å; N463-N486 PolarHBondContact O-OD1 2.77Å; H464-N486 PolarHBondContact N-OD1 2.94Å; L465-N486 HydrophobicContact CB-CB 4.2Å; L465-N486 VanDerWaalsContact CB-OD1 3.28Å; L465-N486 WeakPolarHBondContact CB-OD1 3.16Å; L465-N486 VanDerWaalsContact CG-OD1 3.31Å; L465-N486 WeakPolarHBondContact CG-OD1 3.43Å; L465-N486 PolarHBondContact N-OD1 3.06Å; V483-N486 PolarHBondContact O-ND2 3.03Å; Q484-N486 PolarHBondContact O-ND2 3.02Å; Q484-N486 VanDerWaalsContact O-ND2 3.16Å; N486-L488 HydrophobicContact CB-CG 4.21Å; N486-E508 PolarHBondContact N-O 2.89Å; N486-N509 WeakPolarHBondContact CA-OD1 3.34Å; N486-N509 WeakPolarHBondContact CB-OD1 3.49Å; N486-N509 PolarHBondContact O-OD1 3.41Å
487	R	98.4	Very high	98.5	Very high	120 Å²	120	38.7 Å²	38.7	45%	0.453	18%	0.178	S	C	.	.			trans	-120.2	31.3	180	-55.9	-179.6	-172.9	-176.9	0.8	111.4	L465 T489 N509	L465-R487 CarbonylContact O-C 3.29Å; L465-R487 VanDerWaalsContact O-CA 3.28Å; L465-R487 WeakPolarHBondContact O-CA 3.11Å; L465-R487 WeakPolarHBondContact O-CB 3.14Å; L465-R487 PolarHBondContact O-N 3.04Å; R487-T489 PolarHBondContact O-N 3.29Å; R487-N509 PolarHBondContact N-OD1 3.09Å
488	L	98.7	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.			trans	-69.5	126.4	-176.9	-59.3	175.6	0	0	0	109.8	L465 S467 L468 V483 N486 L491 N509 E510 L511	L465-L488 HydrophobicContact CB-CD2 4.04Å; L465-L488 PolarHBondContact O-N 2.94Å; S467-L488 VanDerWaalsContact CA-CD2 3.45Å; L468-L488 HydrophobicContact CD1-CD1 4.43Å; L468-L488 HydrophobicContact CG-CD1 4.3Å; L468-L488 HydrophobicContact CG-CD2 4.21Å; V483-L488 HydrophobicContact CB-CD1 3.93Å; V483-L488 HydrophobicContact CG2-CD1 3.57Å; N486-L488 HydrophobicContact CB-CG 4.21Å; L488-L491 HydrophobicContact CD1-CD2 4.27Å; L488-N509 HydrophobicContact CB-CB 4.25Å; L488-N509 VanDerWaalsContact CB-OD1 3.23Å; L488-N509 WeakPolarHBondContact CB-OD1 3.2Å; L488-N509 VanDerWaalsContact CG-OD1 3.28Å; L488-N509 WeakPolarHBondContact CG-OD1 3.3Å; L488-N509 PolarHBondContact N-OD1 3.2Å; L488-E510 CarbonylContact O-C 3.03Å; L488-E510 VanDerWaalsContact O-CA 3.31Å; L488-E510 WeakPolarHBondContact O-CA 3.38Å; L488-E510 PolarHBondContact O-N 2.99Å; L488-L511 HydrophobicContact CB-CD2 4.02Å; L488-L511 PolarHBondContact O-N 2.86Å; L488-L511 VanDerWaalsContact O-N 3.13Å
489	T	98.3	Very high	98.4	Very high	52 Å²	52	40.8 Å²	40.8	32%	0.319	18%	0.183	S	C	.	.	S	Bend	trans	-94.5	-20.2	175.1	55.2	0	0	0	0	113.1	R487 E510 L511 Q512	R487-T489 PolarHBondContact O-N 3.29Å; T489-E510 HydrophobicContact CG2-CB 4.24Å; T489-L511 WeakPolarHBondContact O-CA 3.2Å; T489-Q512 PolarHBondContact O-N 3.46Å
490	S	98.2	Very high	98.4	Very high	56 Å²	56	38.9 Å²	38.9	39%	0.392	18%	0.175	S	C	.	.			trans	-156.3	162.6	176.4	56.8	0	0	0	0	110.6
491	L	98.5	Very high	98.4	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.052	17%	0.166	C	C	.	.			trans	-101.7	143	165.3	-58.4	175.5	0	0	0	109	L468 L488 V506 L511 I514 P515	L468-L491 HydrophobicContact CD1-CD2 4.21Å; L488-L491 HydrophobicContact CD1-CD2 4.27Å; L491-V506 HydrophobicContact CD1-CG1 4.11Å; L491-V506 HydrophobicContact CD2-CG1 4Å; L491-L511 HydrophobicContact CD2-CD2 4.42Å; L491-L511 HydrophobicContact CG-CD2 4.24Å; L491-I514 HydrophobicContact CD1-CD1 4.38Å; L491-P515 HydrophobicContact CB-CG 4.12Å
492	P	98.2	Very high	98.4	Very high	17 Å²	17	39.2 Å²	39.2	11%	0.11	18%	0.18	C	C	.	.			trans	-65.4	145.5	174.1	28.4	-34.4	0	0	0	110.2	L468 I472 E494 I495	L468-P492 HydrophobicContact CB-CG 4.19Å; I472-P492 HydrophobicContact CG2-CG 3.94Å; P492-E494 PolarHBondContact O-N 2.99Å; P492-E494 VanDerWaalsContact O-N 3.13Å; P492-I495 VanDerWaalsContact O-CB 3.28Å; P492-I495 WeakPolarHBondContact O-CB 3.15Å; P492-I495 WeakPolarHBondContact O-CG2 3.42Å; P492-I495 PolarHBondContact O-N 3.5Å
493	R	98.3	Very high	98.4	Very high	158 Å²	158	41.6 Å²	41.6	60%	0.596	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-56.9	-28.9	175.5	63.4	173.7	-174.4	-177.1	-1.5	112.8	I495 G496 E517	R493-I495 PolarHBondContact O-N 3.06Å; R493-G496 PolarHBondContact O-N 3.35Å; R493-E517 VanDerWaalsContact CB-CD 3.48Å; R493-E517 HydrophobicContact CB-CG 4.17Å; R493-E517 WeakPolarHBondContact CB-OE1 3.45Å; R493-E517 WeakPolarHBondContact O-CB 3.3Å; R493-E517 WeakPolarHBondContact O-CG 3.41Å
494	E	98.4	Very high	98.4	Very high	25 Å²	25	41.6 Å²	41.6	12%	0.117	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63	-12	177.5	-69.3	73.4	-162.2	0	0	112.9	P470 G473 P492 G496 R497	P470-E494 HydrophobicContact CB-CG 4.08Å; P470-E494 WeakPolarHBondContact O-CB 3.23Å; G473-E494 VanDerWaalsContact CA-O 3.3Å; G473-E494 WeakPolarHBondContact CA-O 3.39Å; P492-E494 PolarHBondContact O-N 2.99Å; P492-E494 VanDerWaalsContact O-N 3.13Å; E494-G496 PolarHBondContact O-N 3.37Å; E494-R497 VanDerWaalsContact O-CB 3.3Å; E494-R497 WeakPolarHBondContact O-CB 3.29Å; E494-R497 PolarHBondContact O-N 3.16Å
495	I	98.3	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-53.2	-35.5	170.9	-162.2	75.6	0	0	0	111.9	L481 P492 R493 R497 L498 P515 L521	L481-I495 HydrophobicContact CD2-CD1 3.79Å; P492-I495 VanDerWaalsContact O-CB 3.28Å; P492-I495 WeakPolarHBondContact O-CB 3.15Å; P492-I495 WeakPolarHBondContact O-CG2 3.42Å; P492-I495 PolarHBondContact O-N 3.5Å; R493-I495 PolarHBondContact O-N 3.06Å; I495-R497 PolarHBondContact O-N 3.13Å; I495-R497 VanDerWaalsContact O-N 3.08Å; I495-L498 HydrophobicContact CD1-CD1 3.53Å; I495-L498 HydrophobicContact CG1-CD1 4.22Å; I495-L498 WeakPolarHBondContact O-CB 3.45Å; I495-L498 WeakPolarHBondContact O-CG 3.34Å; I495-L498 PolarHBondContact O-N 2.91Å; I495-L498 VanDerWaalsContact O-N 3.08Å; I495-P515 HydrophobicContact CG2-CG 3.74Å; I495-L521 WeakPolarHBondContact O-CD2 3.46Å
496	G	97.9	Very high	98.4	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.6	-12.7	178.6	0	0	0	0	0	114.6	R493 E494 L498 Y499 E517 D520	R493-G496 PolarHBondContact O-N 3.35Å; E494-G496 PolarHBondContact O-N 3.37Å; G496-L498 VanDerWaalsContact C-N 3.28Å; G496-L498 PolarHBondContact O-N 2.96Å; G496-Y499 WeakPolarHBondContact O-CD1 3.3Å; G496-Y499 VanDerWaalsContact O-CE1 3.29Å; G496-Y499 WeakPolarHBondContact O-CE1 3.23Å; G496-E517 WeakPolarHBondContact CA-O 3.36Å; G496-D520 WeakPolarHBondContact O-CB 3.46Å
497	R	98.2	Very high	98.4	Very high	103 Å²	103	39.3 Å²	39.3	39%	0.389	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-79.3	-9.2	175	-61.8	-179.2	176.4	173.9	0.8	113.6	G473 E494 I495 Y499	G473-R497 WeakPolarHBondContact O-CB 3.36Å; E494-R497 VanDerWaalsContact O-CB 3.3Å; E494-R497 WeakPolarHBondContact O-CB 3.29Å; E494-R497 PolarHBondContact O-N 3.16Å; I495-R497 PolarHBondContact O-N 3.13Å; I495-R497 VanDerWaalsContact O-N 3.08Å; R497-Y499 VanDerWaalsContact O-CD2 3.29Å; R497-Y499 WeakPolarHBondContact O-CD2 3.25Å; R497-Y499 PolarHBondContact O-N 3.02Å
498	L	98.5	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.			trans	-77.6	61.1	177	-58.5	177.4	0	0	0	110.8	I472 L475 L478 L481 I495 G496 N500 L501 L521	I472-L498 WeakPolarHBondContact O-CD2 3.29Å; L475-L498 HydrophobicContact CB-CD2 4.03Å; L475-L498 VanDerWaalsContact O-CD2 3.3Å; L475-L498 WeakPolarHBondContact O-CD2 3.23Å; L478-L498 HydrophobicContact CB-CD2 4.17Å; L478-L498 HydrophobicContact CD2-CD1 4.04Å; L478-L498 HydrophobicContact CD2-CD2 4.27Å; L481-L498 HydrophobicContact CD2-CD1 4.31Å; I495-L498 HydrophobicContact CD1-CD1 3.53Å; I495-L498 HydrophobicContact CG1-CD1 4.22Å; I495-L498 WeakPolarHBondContact O-CB 3.45Å; I495-L498 WeakPolarHBondContact O-CG 3.34Å; I495-L498 PolarHBondContact O-N 2.91Å; I495-L498 VanDerWaalsContact O-N 3.08Å; G496-L498 VanDerWaalsContact C-N 3.28Å; G496-L498 PolarHBondContact O-N 2.96Å; L498-N500 PolarHBondContact O-N 2.93Å; L498-L501 HydrophobicContact CB-CB 3.97Å; L498-L501 HydrophobicContact CB-CD2 4.45Å; L498-L501 HydrophobicContact CD1-CD1 4.37Å; L498-L501 HydrophobicContact CD1-CD2 4.15Å; L498-L501 WeakPolarHBondContact O-CB 3.36Å; L498-L501 PolarHBondContact O-N 3.15Å; L498-L521 HydrophobicContact CB-CD2 4Å; L498-L521 VanDerWaalsContact O-CD2 3.24Å; L498-L521 WeakPolarHBondContact O-CD2 3.49Å
499	Y	96.7	Very high	98.4	Very high	137 Å²	137	38.5 Å²	38.5	54%	0.537	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.2	-172	-52	-57	0	0	0	114.6	G496 R497 K523	G496-Y499 WeakPolarHBondContact O-CD1 3.3Å; G496-Y499 VanDerWaalsContact O-CE1 3.29Å; G496-Y499 WeakPolarHBondContact O-CE1 3.23Å; R497-Y499 VanDerWaalsContact O-CD2 3.29Å; R497-Y499 WeakPolarHBondContact O-CD2 3.25Å; R497-Y499 PolarHBondContact O-N 3.02Å; Y499-K523 WeakPolarHBondContact O-CG 3.2Å
500	N	98.4	Very high	98.4	Very high	35 Å²	35	40.4 Å²	40.4	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.3	176.8	-74.4	-44.7	0	0	0	114.3	G476 L478 L498 I502 K523	G476-N500 WeakPolarHBondContact O-CB 3.35Å; G476-N500 PolarHBondContact O-ND2 2.98Å; L478-N500 CarbonylContact O-C 3.38Å; L498-N500 PolarHBondContact O-N 2.93Å; N500-I502 PolarHBondContact O-N 3.24Å; N500-K523 PolarHBondContact OD1-NZ 2.95Å
501	L	98.7	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.164	C	C	.	.			trans	-69.9	124.9	-175.2	-158.2	72.9	0	0	0	111.4	L478 L481 L498 L504 L521 K523 L524	L478-L501 HydrophobicContact CB-CD1 4.5Å; L478-L501 HydrophobicContact CD2-CD1 4.18Å; L478-L501 HydrophobicContact CG-CD1 4.16Å; L478-L501 WeakPolarHBondContact O-CA 3.35Å; L478-L501 PolarHBondContact O-N 3.09Å; L478-L501 VanDerWaalsContact O-N 3.13Å; L481-L501 HydrophobicContact CB-CD1 3.9Å; L498-L501 HydrophobicContact CB-CB 3.97Å; L498-L501 HydrophobicContact CB-CD2 4.45Å; L498-L501 HydrophobicContact CD1-CD1 4.37Å; L498-L501 HydrophobicContact CD1-CD2 4.15Å; L498-L501 WeakPolarHBondContact O-CB 3.36Å; L498-L501 PolarHBondContact O-N 3.15Å; L501-L504 HydrophobicContact CD2-CB 3.94Å; L501-L504 HydrophobicContact CD2-CD1 4.21Å; L501-L504 HydrophobicContact CD2-CD2 4.28Å; L501-L504 HydrophobicContact CD2-CG 4.37Å; L501-L521 HydrophobicContact CB-CD2 4.29Å; L501-L521 HydrophobicContact CD2-CD1 4Å; L501-K523 CarbonylContact O-C 3.59Å; L501-L524 HydrophobicContact CD2-CD1 4.38Å; L501-L524 HydrophobicContact CG-CD1 4.46Å; L501-L524 VanDerWaalsContact O-CA 3.25Å; L501-L524 WeakPolarHBondContact O-CA 3.28Å; L501-L524 PolarHBondContact O-N 3.31Å; L501-L524 VanDerWaalsContact O-N 3.07Å
502	I	98.8	Very high	98.4	Very high	57 Å²	57	43.1 Å²	43.1	29%	0.292	19%	0.189	S	C	.	.			trans	-107.8	-36.3	-179.6	-62.8	170.4	0	0	0	110.2	Q479 N500 E525 T526	Q479-I502 HydrophobicContact CB-CD1 4.45Å; Q479-I502 HydrophobicContact CG-CD1 4.49Å; Q479-I502 PolarHBondContact O-N 3.48Å; N500-I502 PolarHBondContact O-N 3.24Å; I502-E525 HydrophobicContact CG2-CB 3.98Å; I502-E525 HydrophobicContact CG2-CG 3.96Å; I502-E525 PolarHBondContact O-N 3.14Å; I502-T526 PolarHBondContact O-N 3.31Å
503	Y	98.9	Very high	98.3	Very high	51 Å²	51	45.4 Å²	45.4	20%	0.2	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.2	-175.7	-174.8	-75.3	0	0	0	110.6	Q479 R480 L481 V482 A505 T526 Y528	Q479-Y503 PolarHBondContact O-N 3.26Å; R480-Y503 WeakPolarHBondContact CA-O 3.21Å; R480-Y503 HydrophobicContact CG-CD1 3.77Å; R480-Y503 HydrophobicContact CG-CG 4.14Å; L481-Y503 PolarHBondContact N-O 3.18Å; V482-Y503 HydrophobicContact CG2-CD1 4.29Å; V482-Y503 HydrophobicContact CG2-CE1 3.96Å; Y503-A505 HydrophobicContact CE1-CB 3.63Å; Y503-T526 HydrophobicContact CD2-CG2 3.56Å; Y503-T526 HydrophobicContact CE2-CG2 3.53Å; Y503-T526 HydrophobicContact CG-CG2 4.38Å; Y503-Y528 HydrophobicContact CE2-CD2 4.32Å; Y503-Y528 AromaticContact CE2-CE2 3.81Å; Y503-Y528 HydrophobicContact CE2-CE2 3.81Å; Y503-Y528 AromaticContact CZ-CD2 3.91Å; Y503-Y528 AromaticContact CZ-CE2 3.71Å; Y503-Y528 VanDerWaalsContact OH-CE2 3.26Å; Y503-Y528 WeakPolarHBondContact OH-CE2 3.5Å
504	L	98.8	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.2	173.9	-178.5	57.4	0	0	0	110.4	L481 L501 V506 I518 L521 L524 T526 L527 Y528	L481-L504 HydrophobicContact CB-CD1 3.98Å; L481-L504 HydrophobicContact CD2-CD1 3.89Å; L481-L504 HydrophobicContact CG-CD1 4.01Å; L481-L504 WeakPolarHBondContact O-CA 3.35Å; L501-L504 HydrophobicContact CD2-CB 3.94Å; L501-L504 HydrophobicContact CD2-CD1 4.21Å; L501-L504 HydrophobicContact CD2-CD2 4.28Å; L501-L504 HydrophobicContact CD2-CG 4.37Å; L504-V506 HydrophobicContact CD1-CG1 3.55Å; L504-V506 HydrophobicContact CD2-CG1 4.31Å; L504-V506 HydrophobicContact CG-CG1 3.81Å; L504-I518 HydrophobicContact CD2-CD1 3.88Å; L504-L521 HydrophobicContact CD2-CD1 4.45Å; L504-L524 HydrophobicContact CB-CD1 3.77Å; L504-T526 PolarHBondContact N-O 2.69Å; L504-L527 HydrophobicContact CB-CD1 4.03Å; L504-L527 HydrophobicContact CD2-CD1 3.87Å; L504-L527 HydrophobicContact CG-CD1 3.97Å; L504-L527 CarbonylContact O-C 3.55Å; L504-L527 WeakPolarHBondContact O-CA 3.26Å; L504-Y528 PolarHBondContact O-N 3.09Å
505	A	98.8	Very high	98.3	Very high	3 Å²	3	38 Å²	38	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.4	171.5	0	0	0	0	0	111.1	L481 V482 V483 Q484 Y503 Y528	L481-A505 PolarHBondContact O-N 3.44Å; V482-A505 HydrophobicContact CG1-CB 4.11Å; V483-A505 CarbonylContact C-O 3.43Å; V483-A505 WeakPolarHBondContact CG2-O 3.48Å; V483-A505 PolarHBondContact N-O 3.44Å; Q484-A505 PolarHBondContact N-O 2.83Å; Y503-A505 HydrophobicContact CE1-CB 3.63Å; A505-Y528 HydrophobicContact CB-CD2 4.22Å
506	V	98.5	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.			trans	-134	17.6	-176.4	-60.9	0	0	0	0	111.4	V483 L491 L504 N509 L511 Y528 L529 N532	V483-V506 HydrophobicContact CG2-CB 4.12Å; V483-V506 HydrophobicContact CG2-CG1 3.47Å; V483-V506 VanDerWaalsContact CG2-CG1 3.47Å; L491-V506 HydrophobicContact CD1-CG1 4.11Å; L491-V506 HydrophobicContact CD2-CG1 4Å; L504-V506 HydrophobicContact CD1-CG1 3.55Å; L504-V506 HydrophobicContact CD2-CG1 4.31Å; L504-V506 HydrophobicContact CG-CG1 3.81Å; V506-N509 PolarHBondContact O-ND2 3.11Å; V506-L511 HydrophobicContact CB-CD1 4.07Å; V506-L511 HydrophobicContact CG2-CD1 3.89Å; V506-Y528 CarbonylContact C-O 3.41Å; V506-Y528 VanDerWaalsContact CG2-O 3.24Å; V506-Y528 WeakPolarHBondContact CG2-O 3.31Å; V506-Y528 PolarHBondContact N-O 3.12Å; V506-L529 HydrophobicContact CG2-CD2 3.34Å; V506-N532 PolarHBondContact O-ND2 3.21Å
507	G	98.3	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.			trans	-69.7	172.4	173.7	0	0	0	0	0	112.2	Q484 S485 N509 Y528 N530	Q484-G507 WeakPolarHBondContact CA-O 3.47Å; Q484-G507 PolarHBondContact NE2-O 3.47Å; Q484-G507 VanDerWaalsContact OE1-C 3.23Å; Q484-G507 PolarHBondContact OE1-O 3.35Å; S485-G507 PolarHBondContact N-O 3.16Å; S485-G507 VanDerWaalsContact N-O 3.14Å; G507-N509 VanDerWaalsContact C-N 3.26Å; G507-N509 PolarHBondContact O-N 2.83Å; G507-N509 PolarHBondContact O-ND2 3.39Å; G507-Y528 PolarHBondContact N-O 3.08Å; G507-Y528 VanDerWaalsContact N-O 3.14Å; G507-N530 CarbonylContact C-O 3.24Å; G507-N530 WeakPolarHBondContact CA-O 3.28Å
508	E	98.5	Very high	98.3	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.195	S	C	.	.	S	Bend	trans	50.2	49.3	-177.9	-67.3	173	-105.2	0	0	111.7	Q484 S485 N486 N530 N531	Q484-E508 VanDerWaalsContact NE2-CG 3.32Å; Q484-E508 PolarHBondContact NE2-OE1 3.01Å; S485-E508 WeakPolarHBondContact CA-O 3.22Å; S485-E508 PolarHBondContact N-O 3.41Å; N486-E508 PolarHBondContact N-O 2.89Å; E508-N530 PolarHBondContact N-O 2.94Å; E508-N531 HydrophobicContact CB-CB 4.38Å; E508-N531 HydrophobicContact CG-CB 3.55Å; E508-N531 WeakPolarHBondContact CG-ND2 3.12Å
509	N	98.8	Very high	98.2	Very high	9 Å²	9	40 Å²	40	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-129.6	-172.6	176.8	-86	-81.8	0	0	0	109.2	V483 N486 R487 L488 V506 G507 L511 N532	V483-N509 PolarHBondContact O-ND2 2.92Å; N486-N509 WeakPolarHBondContact CA-OD1 3.34Å; N486-N509 WeakPolarHBondContact CB-OD1 3.49Å; N486-N509 PolarHBondContact O-OD1 3.41Å; R487-N509 PolarHBondContact N-OD1 3.09Å; L488-N509 HydrophobicContact CB-CB 4.25Å; L488-N509 VanDerWaalsContact CB-OD1 3.23Å; L488-N509 WeakPolarHBondContact CB-OD1 3.2Å; L488-N509 VanDerWaalsContact CG-OD1 3.28Å; L488-N509 WeakPolarHBondContact CG-OD1 3.3Å; L488-N509 PolarHBondContact N-OD1 3.2Å; V506-N509 PolarHBondContact O-ND2 3.11Å; G507-N509 VanDerWaalsContact C-N 3.26Å; G507-N509 PolarHBondContact O-N 2.83Å; G507-N509 PolarHBondContact O-ND2 3.39Å; N509-L511 HydrophobicContact CB-CG 4.12Å; N509-N532 WeakPolarHBondContact CA-OD1 3.34Å; N509-N532 VanDerWaalsContact CB-OD1 3.22Å; N509-N532 WeakPolarHBondContact CB-OD1 3.28Å; N509-N532 PolarHBondContact N-OD1 3.11Å; N509-N532 PolarHBondContact O-OD1 3.06Å; N509-N532 VanDerWaalsContact O-OD1 3.06Å
510	E	98.1	Very high	98.2	Very high	92 Å²	92	36.8 Å²	36.8	43%	0.43	19%	0.187	S	C	.	.			trans	-109.8	28.3	-179.2	-61	-177.8	-162	0	0	111.6	L488 T489 Q512	L488-E510 CarbonylContact O-C 3.03Å; L488-E510 VanDerWaalsContact O-CA 3.31Å; L488-E510 WeakPolarHBondContact O-CA 3.38Å; L488-E510 PolarHBondContact O-N 2.99Å; T489-E510 HydrophobicContact CG2-CB 4.24Å; E510-Q512 PolarHBondContact O-N 2.94Å
511	L	98.5	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.			trans	-60.5	126.3	-171.2	-63.3	176.1	0	0	0	111.4	L488 T489 L491 V506 N509 I514 N532 N534 L535	L488-L511 HydrophobicContact CB-CD2 4.02Å; L488-L511 PolarHBondContact O-N 2.86Å; L488-L511 VanDerWaalsContact O-N 3.13Å; T489-L511 WeakPolarHBondContact O-CA 3.2Å; L491-L511 HydrophobicContact CD2-CD2 4.42Å; L491-L511 HydrophobicContact CG-CD2 4.24Å; V506-L511 HydrophobicContact CB-CD1 4.07Å; V506-L511 HydrophobicContact CG2-CD1 3.89Å; N509-L511 HydrophobicContact CB-CG 4.12Å; L511-I514 HydrophobicContact CD1-CD1 3.77Å; L511-N532 HydrophobicContact CB-CB 4.23Å; L511-N532 VanDerWaalsContact CB-OD1 3.25Å; L511-N532 WeakPolarHBondContact CB-OD1 3.24Å; L511-N532 VanDerWaalsContact CG-OD1 3.25Å; L511-N532 WeakPolarHBondContact CG-OD1 3.19Å; L511-N532 PolarHBondContact N-OD1 3.34Å; L511-N534 CarbonylContact O-C 3.18Å; L511-L535 WeakPolarHBondContact O-CA 3.4Å; L511-L535 PolarHBondContact O-N 3.2Å; L511-L535 VanDerWaalsContact O-N 3.13Å
512	Q	98	Very high	98	Very high	123 Å²	123	40 Å²	40	58%	0.575	20%	0.201	S	C	*	.	S	Bend	trans	-91.1	-28.6	176.4	-61.9	176	19.6	0	0	112.1	T489 E510 N534	T489-Q512 PolarHBondContact O-N 3.46Å; E510-Q512 PolarHBondContact O-N 2.94Å; Q512-N534 HydrophobicContact CG-CB 4.1Å
513	S	97.5	Very high	98	Very high	66 Å²	66	42.1 Å²	42.1	46%	0.462	21%	0.208	S	C	.	.			trans	-155.4	161.5	179.7	58.8	0	0	0	0	110.6
514	I	98	Very high	98	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.036	20%	0.199	C	C	.	.			trans	-108.9	132.5	168.3	-56.7	-58	0	0	0	107.2	L491 L511 I518 L529 L535 L538 P539	L491-I514 HydrophobicContact CD1-CD1 4.38Å; L511-I514 HydrophobicContact CD1-CD1 3.77Å; I514-I518 HydrophobicContact CG2-CB 3.79Å; I514-I518 HydrophobicContact CG2-CD1 4.26Å; I514-I518 HydrophobicContact CG2-CG1 3.95Å; I514-I518 HydrophobicContact CG2-CG2 3.83Å; I514-L529 HydrophobicContact CD1-CD2 3.77Å; I514-L529 HydrophobicContact CG1-CD1 4.35Å; I514-L529 HydrophobicContact CG1-CD2 4.32Å; I514-L535 HydrophobicContact CG1-CD1 4.15Å; I514-L535 HydrophobicContact CG1-CD2 4.44Å; I514-L538 HydrophobicContact CG1-CD2 3.98Å; I514-P539 HydrophobicContact CB-CG 4.26Å; I514-P539 HydrophobicContact CG2-CG 4.29Å; I514-P539 WeakPolarHBondContact O-CG 3.19Å
515	P	97.8	Very high	98	Very high	19 Å²	19	43.3 Å²	43.3	12%	0.123	22%	0.215	C	C	.	.			trans	-65.3	149.1	179.9	27.2	-35.2	0	0	0	111.8	L491 I495 E517 I518	L491-P515 HydrophobicContact CB-CG 4.12Å; I495-P515 HydrophobicContact CG2-CG 3.74Å; P515-E517 WeakPolarHBondContact CB-OE2 3.38Å; P515-E517 PolarHBondContact O-N 3.46Å; P515-I518 WeakPolarHBondContact O-CB 3.42Å; P515-I518 VanDerWaalsContact O-CG2 3.22Å; P515-I518 WeakPolarHBondContact O-CG2 3.34Å; P515-I518 PolarHBondContact O-N 2.81Å
516	N	97.9	Very high	98	Very high	83 Å²	83	44.1 Å²	44.1	44%	0.444	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-60.3	-31.9	179.7	-67.9	19.3	0	0	0	111.8	I518 G519 E541	N516-I518 PolarHBondContact O-N 3.23Å; N516-G519 PolarHBondContact O-N 3.17Å; N516-G519 VanDerWaalsContact O-N 3.07Å; N516-E541 HydrophobicContact CB-CB 4.41Å; N516-E541 HydrophobicContact CB-CG 4.02Å; N516-E541 PolarHBondContact ND2-OE1 3.49Å; N516-E541 WeakPolarHBondContact O-CB 3.49Å
517	E	98.1	Very high	98	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-61.8	-9.8	177.2	-64.7	84.1	170.9	0	0	113.4	R493 G496 P515 G519 D520	R493-E517 VanDerWaalsContact CB-CD 3.48Å; R493-E517 HydrophobicContact CB-CG 4.17Å; R493-E517 WeakPolarHBondContact CB-OE1 3.45Å; R493-E517 WeakPolarHBondContact O-CB 3.3Å; R493-E517 WeakPolarHBondContact O-CG 3.41Å; G496-E517 WeakPolarHBondContact CA-O 3.36Å; P515-E517 WeakPolarHBondContact CB-OE2 3.38Å; P515-E517 PolarHBondContact O-N 3.46Å; E517-G519 PolarHBondContact O-N 3.09Å; E517-G519 VanDerWaalsContact O-N 3.17Å; E517-D520 WeakPolarHBondContact O-CB 3.28Å; E517-D520 PolarHBondContact O-N 3.13Å
518	I	97.9	Very high	98	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-54.9	-30.8	168.2	-161.6	74.3	0	0	0	111.8	L504 I514 P515 N516 D520 L521 P539 L542 C545	L504-I518 HydrophobicContact CD2-CD1 3.88Å; I514-I518 HydrophobicContact CG2-CB 3.79Å; I514-I518 HydrophobicContact CG2-CD1 4.26Å; I514-I518 HydrophobicContact CG2-CG1 3.95Å; I514-I518 HydrophobicContact CG2-CG2 3.83Å; P515-I518 WeakPolarHBondContact O-CB 3.42Å; P515-I518 VanDerWaalsContact O-CG2 3.22Å; P515-I518 WeakPolarHBondContact O-CG2 3.34Å; P515-I518 PolarHBondContact O-N 2.81Å; N516-I518 PolarHBondContact O-N 3.23Å; I518-D520 PolarHBondContact O-N 2.81Å; I518-L521 HydrophobicContact CD1-CD1 3.58Å; I518-L521 HydrophobicContact CG1-CD1 4.33Å; I518-L521 WeakPolarHBondContact O-CB 3.38Å; I518-L521 WeakPolarHBondContact O-CG 3.49Å; I518-L521 PolarHBondContact O-N 2.81Å; I518-P539 HydrophobicContact CG2-CG 3.85Å; I518-L542 HydrophobicContact CG1-CD1 3.97Å; I518-L542 HydrophobicContact CG2-CB 4.07Å; I518-L542 HydrophobicContact CG2-CD1 3.97Å; I518-C545 PolarHBondContact O-SG 2.89Å
519	G	96.5	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-65.3	-18.4	177.8	0	0	0	0	0	114.7	N516 E517 L521 H522 E541	N516-G519 PolarHBondContact O-N 3.17Å; N516-G519 VanDerWaalsContact O-N 3.07Å; E517-G519 PolarHBondContact O-N 3.09Å; E517-G519 VanDerWaalsContact O-N 3.17Å; G519-L521 VanDerWaalsContact C-N 3.25Å; G519-L521 PolarHBondContact O-N 3.22Å; G519-H522 PolarHBondContact O-CE1 3.21Å; G519-H522 PolarHBondContact O-ND1 2.97Å; G519-E541 WeakPolarHBondContact CA-O 3.31Å
520	D	97.2	Very high	97.9	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-78.4	-10.6	177.7	-62.1	-30	0	0	0	112.4	G496 E517 I518 H522	G496-D520 WeakPolarHBondContact O-CB 3.46Å; E517-D520 WeakPolarHBondContact O-CB 3.28Å; E517-D520 PolarHBondContact O-N 3.13Å; I518-D520 PolarHBondContact O-N 2.81Å; D520-H522 PolarHBondContact O-CD2 2.9Å; D520-H522 PolarHBondContact O-N 2.9Å
521	L	98	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.			trans	-78.8	65	178	-58.3	-177.6	0	0	0	111.8	I495 L498 L501 L504 I518 G519 K523 L524	I495-L521 WeakPolarHBondContact O-CD2 3.46Å; L498-L521 HydrophobicContact CB-CD2 4Å; L498-L521 VanDerWaalsContact O-CD2 3.24Å; L498-L521 WeakPolarHBondContact O-CD2 3.49Å; L501-L521 HydrophobicContact CB-CD2 4.29Å; L501-L521 HydrophobicContact CD2-CD1 4Å; L504-L521 HydrophobicContact CD2-CD1 4.45Å; I518-L521 HydrophobicContact CD1-CD1 3.58Å; I518-L521 HydrophobicContact CG1-CD1 4.33Å; I518-L521 WeakPolarHBondContact O-CB 3.38Å; I518-L521 WeakPolarHBondContact O-CG 3.49Å; I518-L521 PolarHBondContact O-N 2.81Å; G519-L521 VanDerWaalsContact C-N 3.25Å; G519-L521 PolarHBondContact O-N 3.22Å; L521-K523 PolarHBondContact O-N 3.03Å; L521-K523 VanDerWaalsContact O-N 3.1Å; L521-L524 HydrophobicContact CB-CB 3.9Å; L521-L524 HydrophobicContact CB-CD2 4.37Å; L521-L524 HydrophobicContact CD1-CD2 4.15Å; L521-L524 VanDerWaalsContact O-CB 3.22Å; L521-L524 WeakPolarHBondContact O-CB 3.27Å; L521-L524 PolarHBondContact O-N 2.94Å
522	H	95.9	Very high	97.9	Very high	101 Å²	101	39.2 Å²	39.2	47%	0.468	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.2	-172.9	-56	-47.4	0	0	0	114.8	G519 D520 S547	G519-H522 PolarHBondContact O-CE1 3.21Å; G519-H522 PolarHBondContact O-ND1 2.97Å; D520-H522 PolarHBondContact O-CD2 2.9Å; D520-H522 PolarHBondContact O-N 2.9Å; H522-S547 VanDerWaalsContact O-CB 3.27Å; H522-S547 WeakPolarHBondContact O-CB 3.22Å; H522-S547 PolarHBondContact O-OG 3.24Å
523	K	98.3	Very high	97.9	Very high	103 Å²	103	39.1 Å²	39.1	45%	0.448	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.1	175.4	-65.5	-164.2	-169.5	173	0	114.2	Y499 N500 L501 L521 E525	Y499-K523 WeakPolarHBondContact O-CG 3.2Å; N500-K523 PolarHBondContact OD1-NZ 2.95Å; L501-K523 CarbonylContact O-C 3.59Å; L521-K523 PolarHBondContact O-N 3.03Å; L521-K523 VanDerWaalsContact O-N 3.1Å; K523-E525 PolarHBondContact O-N 3.37Å
524	L	98.5	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.			trans	-66.2	117.8	-176.6	-171.9	69.7	0	0	0	110.1	L501 L504 L521 T526 L527 S547 L548	L501-L524 HydrophobicContact CD2-CD1 4.38Å; L501-L524 HydrophobicContact CG-CD1 4.46Å; L501-L524 VanDerWaalsContact O-CA 3.25Å; L501-L524 WeakPolarHBondContact O-CA 3.28Å; L501-L524 PolarHBondContact O-N 3.31Å; L501-L524 VanDerWaalsContact O-N 3.07Å; L504-L524 HydrophobicContact CB-CD1 3.77Å; L521-L524 HydrophobicContact CB-CB 3.9Å; L521-L524 HydrophobicContact CB-CD2 4.37Å; L521-L524 HydrophobicContact CD1-CD2 4.15Å; L521-L524 VanDerWaalsContact O-CB 3.22Å; L521-L524 WeakPolarHBondContact O-CB 3.27Å; L521-L524 PolarHBondContact O-N 2.94Å; L524-T526 WeakPolarHBondContact CD1-O 3.41Å; L524-L527 HydrophobicContact CD2-CB 4.19Å; L524-L527 HydrophobicContact CD2-CD1 4.47Å; L524-L527 HydrophobicContact CD2-CD2 4.42Å; L524-S547 CarbonylContact O-C 3.4Å; L524-L548 HydrophobicContact CD2-CD1 4.27Å; L524-L548 HydrophobicContact CG-CD1 4.21Å; L524-L548 WeakPolarHBondContact O-CA 3.47Å; L524-L548 PolarHBondContact O-N 2.96Å
525	E	98.6	Very high	97.9	Very high	75 Å²	75	38.9 Å²	38.9	35%	0.35	19%	0.194	S	C	.	.			trans	-102.3	-34.2	178.5	-66.1	-176.8	178.7	0	0	111.7	I502 K523 S547 Q549 M550	I502-E525 HydrophobicContact CG2-CB 3.98Å; I502-E525 HydrophobicContact CG2-CG 3.96Å; I502-E525 PolarHBondContact O-N 3.14Å; K523-E525 PolarHBondContact O-N 3.37Å; E525-S547 WeakPolarHBondContact CA-O 3.29Å; E525-Q549 PolarHBondContact O-N 3.4Å; E525-M550 PolarHBondContact O-N 3.39Å
526	T	98.7	Very high	97.9	Very high	21 Å²	21	42 Å²	42	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.7	-175.7	-64.3	0	0	0	0	111.7	I502 Y503 L504 L524 Y528 M550	I502-T526 PolarHBondContact O-N 3.31Å; Y503-T526 HydrophobicContact CD2-CG2 3.56Å; Y503-T526 HydrophobicContact CE2-CG2 3.53Å; Y503-T526 HydrophobicContact CG-CG2 4.38Å; L504-T526 PolarHBondContact N-O 2.69Å; L524-T526 WeakPolarHBondContact CD1-O 3.41Å; T526-Y528 HydrophobicContact CG2-CD2 3.71Å; T526-Y528 HydrophobicContact CG2-CE2 3.34Å; T526-M550 WeakPolarHBondContact CA-O 3.38Å; T526-M550 HydrophobicContact CG2-CB 4.48Å; T526-M550 HydrophobicContact CG2-CE 3.31Å
527	L	98.5	Very high	97.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.4	177.4	179.2	58.9	0	0	0	112.1	L504 L524 L529 L542 L548 M550 M551 S552	L504-L527 HydrophobicContact CB-CD1 4.03Å; L504-L527 HydrophobicContact CD2-CD1 3.87Å; L504-L527 HydrophobicContact CG-CD1 3.97Å; L504-L527 CarbonylContact O-C 3.55Å; L504-L527 WeakPolarHBondContact O-CA 3.26Å; L524-L527 HydrophobicContact CD2-CB 4.19Å; L524-L527 HydrophobicContact CD2-CD1 4.47Å; L524-L527 HydrophobicContact CD2-CD2 4.42Å; L527-L529 HydrophobicContact CD1-CD2 3.87Å; L527-L529 HydrophobicContact CD1-CG 4.28Å; L527-L529 HydrophobicContact CD2-CD1 4.2Å; L527-L529 HydrophobicContact CD2-CD2 4.37Å; L527-L529 HydrophobicContact CD2-CG 4.18Å; L527-L529 HydrophobicContact CG-CD2 4.14Å; L527-L529 HydrophobicContact CG-CG 3.99Å; L527-L542 HydrophobicContact CD2-CD1 3.73Å; L527-L548 HydrophobicContact CB-CD1 3.8Å; L527-M550 PolarHBondContact N-O 2.85Å; L527-M551 CarbonylContact O-C 3.59Å; L527-M551 WeakPolarHBondContact O-CA 3.39Å; L527-S552 PolarHBondContact O-N 2.93Å
528	Y	98.5	Very high	97.8	Very high	30 Å²	30	38.8 Å²	38.8	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.6	171.9	-69.2	-85.4	0	0	0	110.9	Y503 L504 A505 V506 G507 T526 M550 S552	Y503-Y528 HydrophobicContact CE2-CD2 4.32Å; Y503-Y528 AromaticContact CE2-CE2 3.81Å; Y503-Y528 HydrophobicContact CE2-CE2 3.81Å; Y503-Y528 AromaticContact CZ-CD2 3.91Å; Y503-Y528 AromaticContact CZ-CE2 3.71Å; Y503-Y528 VanDerWaalsContact OH-CE2 3.26Å; Y503-Y528 WeakPolarHBondContact OH-CE2 3.5Å; L504-Y528 PolarHBondContact O-N 3.09Å; A505-Y528 HydrophobicContact CB-CD2 4.22Å; V506-Y528 CarbonylContact C-O 3.41Å; V506-Y528 VanDerWaalsContact CG2-O 3.24Å; V506-Y528 WeakPolarHBondContact CG2-O 3.31Å; V506-Y528 PolarHBondContact N-O 3.12Å; G507-Y528 PolarHBondContact N-O 3.08Å; G507-Y528 VanDerWaalsContact N-O 3.14Å; T526-Y528 HydrophobicContact CG2-CD2 3.71Å; T526-Y528 HydrophobicContact CG2-CE2 3.34Å; Y528-M550 HydrophobicContact CE2-CE 3.86Å; Y528-M550 WeakPolarHBondContact OH-CE 3.44Å; Y528-S552 VanDerWaalsContact CD1-CB 3.49Å
529	L	98.3	Very high	97.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.196	C	C	.	.			trans	-112.6	-2.3	173.9	-59.5	-178.3	0	0	0	112.8	V506 I514 L527 N532 L535 L538 M551 S552 I553 C556	V506-L529 HydrophobicContact CG2-CD2 3.34Å; I514-L529 HydrophobicContact CD1-CD2 3.77Å; I514-L529 HydrophobicContact CG1-CD1 4.35Å; I514-L529 HydrophobicContact CG1-CD2 4.32Å; L527-L529 HydrophobicContact CD1-CD2 3.87Å; L527-L529 HydrophobicContact CD1-CG 4.28Å; L527-L529 HydrophobicContact CD2-CD1 4.2Å; L527-L529 HydrophobicContact CD2-CD2 4.37Å; L527-L529 HydrophobicContact CD2-CG 4.18Å; L527-L529 HydrophobicContact CG-CD2 4.14Å; L527-L529 HydrophobicContact CG-CG 3.99Å; L529-N532 PolarHBondContact O-ND2 3.21Å; L529-L535 HydrophobicContact CB-CD2 4.42Å; L529-L535 HydrophobicContact CD1-CD2 4.27Å; L529-L538 HydrophobicContact CD1-CD2 3.58Å; L529-M551 HydrophobicContact CD1-CE 3.96Å; L529-S552 WeakPolarHBondContact CA-O 3.28Å; L529-S552 WeakPolarHBondContact CB-O 3.39Å; L529-S552 PolarHBondContact N-O 3.5Å; L529-I553 HydrophobicContact CB-CG2 4.37Å; L529-I553 HydrophobicContact CD1-CG2 4.27Å; L529-C556 PolarHBondContact O-SG 2.68Å
530	N	98	Very high	97.7	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.053	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	152	-171.8	55	-73.4	0	0	0	113.3	G507 E508 N532 S552 E554	G507-N530 CarbonylContact C-O 3.24Å; G507-N530 WeakPolarHBondContact CA-O 3.28Å; E508-N530 PolarHBondContact N-O 2.94Å; N530-N532 VanDerWaalsContact C-N 3.28Å; N530-N532 PolarHBondContact O-N 3.44Å; N530-S552 PolarHBondContact N-O 3.38Å; N530-E554 CarbonylContact C-O 3.55Å; N530-E554 WeakPolarHBondContact CA-O 3.28Å; N530-E554 HydrophobicContact CB-CB 4.11Å; N530-E554 WeakPolarHBondContact CB-O 3.31Å
531	N	98.3	Very high	97.6	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.262	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	33.4	178.1	-53.3	-54.7	0	0	0	114.1	E508 E554 N555	E508-N531 HydrophobicContact CB-CB 4.38Å; E508-N531 HydrophobicContact CG-CB 3.55Å; E508-N531 WeakPolarHBondContact CG-ND2 3.12Å; N531-E554 PolarHBondContact N-O 2.94Å; N531-N555 WeakPolarHBondContact OD1-CB 3.25Å; N531-N555 PolarHBondContact OD1-ND2 3.26Å
532	N	98.4	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.			trans	-97.9	91.7	164.9	-80.4	-74	0	0	0	109.8	V506 N509 L511 L529 N530 N534 L535 P557	V506-N532 PolarHBondContact O-ND2 3.21Å; N509-N532 WeakPolarHBondContact CA-OD1 3.34Å; N509-N532 VanDerWaalsContact CB-OD1 3.22Å; N509-N532 WeakPolarHBondContact CB-OD1 3.28Å; N509-N532 PolarHBondContact N-OD1 3.11Å; N509-N532 PolarHBondContact O-OD1 3.06Å; N509-N532 VanDerWaalsContact O-OD1 3.06Å; L511-N532 HydrophobicContact CB-CB 4.23Å; L511-N532 VanDerWaalsContact CB-OD1 3.25Å; L511-N532 WeakPolarHBondContact CB-OD1 3.24Å; L511-N532 VanDerWaalsContact CG-OD1 3.25Å; L511-N532 WeakPolarHBondContact CG-OD1 3.19Å; L511-N532 PolarHBondContact N-OD1 3.34Å; L529-N532 PolarHBondContact O-ND2 3.21Å; N530-N532 VanDerWaalsContact C-N 3.28Å; N530-N532 PolarHBondContact O-N 3.44Å; N532-N534 PolarHBondContact O-N 3.3Å; N532-L535 HydrophobicContact CB-CB 3.85Å; N532-L535 HydrophobicContact CB-CD2 4.28Å; N532-L535 WeakPolarHBondContact O-CB 3.48Å; N532-L535 PolarHBondContact O-N 2.99Å; N532-L535 VanDerWaalsContact O-N 3.14Å; N532-P557 WeakPolarHBondContact O-CD 3.36Å
533	L	97.2	Very high	97.5	Very high	121 Å²	121	36 Å²	36	63%	0.634	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.9	-170.7	-61.9	177.5	0	0	0	114.5	P557	L533-P557 WeakPolarHBondContact O-CG 3.33Å
534	N	97.4	Very high	97.3	Very high	68 Å²	68	34.9 Å²	34.9	36%	0.364	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.8	176.1	-61.1	-39.7	0	0	0	112.6	L511 Q512 N532 H536	L511-N534 CarbonylContact O-C 3.18Å; Q512-N534 HydrophobicContact CG-CB 4.1Å; N532-N534 PolarHBondContact O-N 3.3Å; N534-H536 PolarHBondContact O-CD2 3.06Å; N534-H536 PolarHBondContact O-N 3.22Å
535	L	97.9	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.			trans	-85.6	98.6	-174.8	-170.6	62	0	0	0	110.5	L511 I514 L529 N532 D537 L538 P557 L558	L511-L535 WeakPolarHBondContact O-CA 3.4Å; L511-L535 PolarHBondContact O-N 3.2Å; L511-L535 VanDerWaalsContact O-N 3.13Å; I514-L535 HydrophobicContact CG1-CD1 4.15Å; I514-L535 HydrophobicContact CG1-CD2 4.44Å; L529-L535 HydrophobicContact CB-CD2 4.42Å; L529-L535 HydrophobicContact CD1-CD2 4.27Å; N532-L535 HydrophobicContact CB-CB 3.85Å; N532-L535 HydrophobicContact CB-CD2 4.28Å; N532-L535 WeakPolarHBondContact O-CB 3.48Å; N532-L535 PolarHBondContact O-N 2.99Å; N532-L535 VanDerWaalsContact O-N 3.14Å; L535-D537 WeakPolarHBondContact CD1-O 3.39Å; L535-L538 HydrophobicContact CD2-CD2 4.04Å; L535-P557 WeakPolarHBondContact O-CD 3.39Å; L535-L558 HydrophobicContact CD2-CD2 4.38Å; L535-L558 HydrophobicContact CG-CD2 4.09Å; L535-L558 PolarHBondContact O-N 2.86Å
536	H	97.1	Very high	96.8	Very high	84 Å²	84	36.5 Å²	36.5	39%	0.389	20%	0.198	S	C	.	.			trans	-94.2	-13.9	-174.9	-70.4	-74.9	0	0	0	114.5	N534 L558 T559 Q560	N534-H536 PolarHBondContact O-CD2 3.06Å; N534-H536 PolarHBondContact O-N 3.22Å; H536-L558 CarbonylContact O-C 3.54Å; H536-L558 WeakPolarHBondContact O-CA 3.23Å; H536-T559 PolarHBondContact ND1-OG1 2.98Å; H536-T559 PolarHBondContact O-N 3.1Å; H536-Q560 WeakPolarHBondContact O-CB 3.32Å; H536-Q560 WeakPolarHBondContact O-CG 3.24Å; H536-Q560 PolarHBondContact O-N 2.77Å
537	D	96.2	Very high	96.7	Very high	76 Å²	76	37.7 Å²	37.7	41%	0.406	21%	0.207	S	C	.	.			trans	-154.3	168	-177.3	-159.4	11.7	0	0	0	111.7	L535 Q560	L535-D537 WeakPolarHBondContact CD1-O 3.39Å; D537-Q560 HydrophobicContact CB-CB 3.89Å; D537-Q560 HydrophobicContact CB-CG 4.03Å
538	L	97.4	Very high	96.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	22%	0.217	C	C	.	.			trans	-131.9	138.9	172.5	-65.7	170.7	0	0	0	110	I514 L529 L535 L542 M551 L558 I561 V573 L577	I514-L538 HydrophobicContact CG1-CD2 3.98Å; L529-L538 HydrophobicContact CD1-CD2 3.58Å; L535-L538 HydrophobicContact CD2-CD2 4.04Å; L538-L542 HydrophobicContact CB-CD2 4.36Å; L538-L542 HydrophobicContact CD1-CD2 4.17Å; L538-L542 HydrophobicContact CD2-CD2 4.34Å; L538-M551 HydrophobicContact CD1-CE 3.69Å; L538-L558 HydrophobicContact CD1-CD1 4.09Å; L538-L558 HydrophobicContact CD1-CD2 4.12Å; L538-L558 HydrophobicContact CD2-CD2 4.34Å; L538-L558 HydrophobicContact CG-CD2 3.79Å; L538-I561 HydrophobicContact CB-CD1 4.22Å; L538-I561 HydrophobicContact CD1-CD1 4.23Å; L538-I561 HydrophobicContact CG-CD1 4.3Å; L538-V573 HydrophobicContact CD1-CG1 3.82Å; L538-L577 HydrophobicContact CB-CD1 3.97Å; L538-L577 HydrophobicContact CB-CD2 4.49Å; L538-L577 WeakPolarHBondContact O-CD2 3.34Å
539	P	96.5	Very high	96.5	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.097	25%	0.245	C	C	.	.			trans	-66.5	145.7	-179.2	29	-35.9	0	0	0	111.6	I514 I518 E541 L542	I514-P539 HydrophobicContact CB-CG 4.26Å; I514-P539 HydrophobicContact CG2-CG 4.29Å; I514-P539 WeakPolarHBondContact O-CG 3.19Å; I518-P539 HydrophobicContact CG2-CG 3.85Å; P539-E541 PolarHBondContact O-N 2.99Å; P539-L542 HydrophobicContact CG-CB 4.42Å; P539-L542 VanDerWaalsContact O-CB 3.31Å; P539-L542 WeakPolarHBondContact O-CB 3.38Å; P539-L542 PolarHBondContact O-N 3.05Å; P539-L542 VanDerWaalsContact O-N 3.09Å
540	T	96.1	Very high	96.4	Very high	40 Å²	40	48.8 Å²	48.8	25%	0.245	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.8	-27.4	176.6	47.8	0	0	0	0	112.9	L542 A543 Q580	T540-L542 PolarHBondContact O-N 3.23Å; T540-A543 WeakPolarHBondContact O-CB 3.49Å; T540-A543 PolarHBondContact O-N 3.47Å; T540-Q580 HydrophobicContact CG2-CB 3.79Å
541	E	96.7	Very high	96.3	Very high	46 Å²	46	49.3 Å²	49.3	22%	0.215	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.7	-23.5	178.8	-67.9	85.1	158.1	0	0	112.2	N516 G519 P539 A543 M544	N516-E541 HydrophobicContact CB-CB 4.41Å; N516-E541 HydrophobicContact CB-CG 4.02Å; N516-E541 PolarHBondContact ND2-OE1 3.49Å; N516-E541 WeakPolarHBondContact O-CB 3.49Å; G519-E541 WeakPolarHBondContact CA-O 3.31Å; P539-E541 PolarHBondContact O-N 2.99Å; E541-A543 PolarHBondContact O-N 3.13Å; E541-A543 VanDerWaalsContact O-N 3.09Å; E541-M544 HydrophobicContact CB-SD 4.4Å; E541-M544 HydrophobicContact CG-CE 4.14Å; E541-M544 HydrophobicContact CG-SD 4.38Å; E541-M544 WeakPolarHBondContact O-CA 3.42Å; E541-M544 WeakPolarHBondContact O-CB 3.31Å; E541-M544 WeakPolarHBondContact O-CG 3.41Å; E541-M544 PolarHBondContact O-N 3.39Å
542	L	96.4	Very high	96.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.6	-28.1	174	-177.6	61.9	0	0	0	112.3	I518 L527 L538 P539 T540 M544 C545 M551 I574 L577	I518-L542 HydrophobicContact CG1-CD1 3.97Å; I518-L542 HydrophobicContact CG2-CB 4.07Å; I518-L542 HydrophobicContact CG2-CD1 3.97Å; L527-L542 HydrophobicContact CD2-CD1 3.73Å; L538-L542 HydrophobicContact CB-CD2 4.36Å; L538-L542 HydrophobicContact CD1-CD2 4.17Å; L538-L542 HydrophobicContact CD2-CD2 4.34Å; P539-L542 HydrophobicContact CG-CB 4.42Å; P539-L542 VanDerWaalsContact O-CB 3.31Å; P539-L542 WeakPolarHBondContact O-CB 3.38Å; P539-L542 PolarHBondContact O-N 3.05Å; P539-L542 VanDerWaalsContact O-N 3.09Å; T540-L542 PolarHBondContact O-N 3.23Å; L542-M544 PolarHBondContact O-N 2.89Å; L542-C545 WeakPolarHBondContact O-CB 3.43Å; L542-C545 PolarHBondContact O-N 3.28Å; L542-M551 HydrophobicContact CD2-CE 3.69Å; L542-M551 HydrophobicContact CD2-SD 4.2Å; L542-I574 HydrophobicContact CD2-CD1 4.12Å; L542-I574 HydrophobicContact CG-CD1 3.94Å; L542-L577 HydrophobicContact CB-CD1 4.25Å; L542-L577 HydrophobicContact CD2-CD1 4.28Å
543	A	94.4	Very high	96.2	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-69.3	-11.4	175	0	0	0	0	0	114.3	T540 E541 I574 L577 R578	T540-A543 WeakPolarHBondContact O-CB 3.49Å; T540-A543 PolarHBondContact O-N 3.47Å; E541-A543 PolarHBondContact O-N 3.13Å; E541-A543 VanDerWaalsContact O-N 3.09Å; A543-I574 HydrophobicContact CB-CG2 4.43Å; A543-L577 HydrophobicContact CB-CB 4.01Å; A543-R578 HydrophobicContact CB-CB 4.27Å; A543-R578 HydrophobicContact CB-CG 3.35Å
544	M	94.6	Very high	96.1	Very high	81 Å²	81	47.6 Å²	47.6	40%	0.399	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-83.8	-7.3	174.1	-53.5	-178.1	-176.1	0	0	113.3	E541 L542 C546	E541-M544 HydrophobicContact CB-SD 4.4Å; E541-M544 HydrophobicContact CG-CE 4.14Å; E541-M544 HydrophobicContact CG-SD 4.38Å; E541-M544 WeakPolarHBondContact O-CA 3.42Å; E541-M544 WeakPolarHBondContact O-CB 3.31Å; E541-M544 WeakPolarHBondContact O-CG 3.41Å; E541-M544 PolarHBondContact O-N 3.39Å; L542-M544 PolarHBondContact O-N 2.89Å; M544-C546 PolarHBondContact O-N 2.95Å; M544-C546 PolarHBondContact O-SG 3.39Å; M544-C546 VanDerWaalsContact O-SG 3.33Å
545	C	94.9	Very high	96	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.027	26%	0.263	C	S	.	.			trans	-69.7	77.2	169.4	-62.9	0	0	0	0	110.4	I518 L542 S547 L548	I518-C545 PolarHBondContact O-SG 2.89Å; L542-C545 WeakPolarHBondContact O-CB 3.43Å; L542-C545 PolarHBondContact O-N 3.28Å; C545-S547 PolarHBondContact O-N 3.48Å; C545-S547 VanDerWaalsContact O-N 3.14Å; C545-L548 HydrophobicContact CB-CB 4.03Å; C545-L548 VanDerWaalsContact O-CB 3.29Å; C545-L548 WeakPolarHBondContact O-CB 3.21Å; C545-L548 PolarHBondContact O-N 3.34Å; C545-L548 VanDerWaalsContact O-N 3.09Å
546	C	91.4	Very high	96	Very high	105 Å²	105	49.9 Å²	49.9	71%	0.709	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-171.2	-68	0	0	0	0	114.4	M544	M544-C546 PolarHBondContact O-N 2.95Å; M544-C546 PolarHBondContact O-SG 3.39Å; M544-C546 VanDerWaalsContact O-SG 3.33Å
547	S	96.4	Very high	95.9	Very high	45 Å²	45	48.4 Å²	48.4	32%	0.315	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.3	-180	-54.6	0	0	0	0	113.7	H522 L524 E525 C545 Q549	H522-S547 VanDerWaalsContact O-CB 3.27Å; H522-S547 WeakPolarHBondContact O-CB 3.22Å; H522-S547 PolarHBondContact O-OG 3.24Å; L524-S547 CarbonylContact O-C 3.4Å; E525-S547 WeakPolarHBondContact CA-O 3.29Å; C545-S547 PolarHBondContact O-N 3.48Å; C545-S547 VanDerWaalsContact O-N 3.14Å; S547-Q549 WeakPolarHBondContact O-CG 3.44Å; S547-Q549 PolarHBondContact O-N 2.84Å
548	L	96.3	Very high	95.9	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.199	25%	0.245	C	C	.	.			trans	-66.6	118.2	-172.9	-168.4	68.6	0	0	0	111.1	L524 L527 C545 M551 I574	L524-L548 HydrophobicContact CD2-CD1 4.27Å; L524-L548 HydrophobicContact CG-CD1 4.21Å; L524-L548 WeakPolarHBondContact O-CA 3.47Å; L524-L548 PolarHBondContact O-N 2.96Å; L527-L548 HydrophobicContact CB-CD1 3.8Å; C545-L548 HydrophobicContact CB-CB 4.03Å; C545-L548 VanDerWaalsContact O-CB 3.29Å; C545-L548 WeakPolarHBondContact O-CB 3.21Å; C545-L548 PolarHBondContact O-N 3.34Å; C545-L548 VanDerWaalsContact O-N 3.09Å; L548-M551 HydrophobicContact CD2-CB 4.24Å; L548-M551 HydrophobicContact CD2-SD 4.07Å; L548-I574 HydrophobicContact CD2-CD1 4.1Å
549	Q	95.8	Very high	95.8	Very high	152 Å²	152	48.7 Å²	48.7	71%	0.71	27%	0.269	S	S	*	.			trans	-108.8	-40.5	-178.6	-65.7	172	33.7	0	0	111.5	E525 S547	E525-Q549 PolarHBondContact O-N 3.4Å; S547-Q549 WeakPolarHBondContact O-CG 3.44Å; S547-Q549 PolarHBondContact O-N 2.84Å
550	M	96.4	Very high	95.8	Very high	76 Å²	76	54.2 Å²	54.2	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.7	-177.8	-172.8	166.1	64.4	0	0	110.3	E525 T526 L527 Y528	E525-M550 PolarHBondContact O-N 3.39Å; T526-M550 WeakPolarHBondContact CA-O 3.38Å; T526-M550 HydrophobicContact CG2-CB 4.48Å; T526-M550 HydrophobicContact CG2-CE 3.31Å; L527-M550 PolarHBondContact N-O 2.85Å; Y528-M550 HydrophobicContact CE2-CE 3.86Å; Y528-M550 WeakPolarHBondContact OH-CE 3.44Å
551	M	97.1	Very high	95.7	Very high	20 Å²	20	52.6 Å²	52.6	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.7	176.1	177.8	175	171.8	0	0	109.3	L527 L529 L538 L542 L548 I553 P570 I574	L527-M551 CarbonylContact O-C 3.59Å; L527-M551 WeakPolarHBondContact O-CA 3.39Å; L529-M551 HydrophobicContact CD1-CE 3.96Å; L538-M551 HydrophobicContact CD1-CE 3.69Å; L542-M551 HydrophobicContact CD2-CE 3.69Å; L542-M551 HydrophobicContact CD2-SD 4.2Å; L548-M551 HydrophobicContact CD2-CB 4.24Å; L548-M551 HydrophobicContact CD2-SD 4.07Å; M551-I553 HydrophobicContact CE-CG2 3.26Å; M551-I553 HydrophobicContact CG-CG2 4.22Å; M551-P570 HydrophobicContact CB-CB 3.85Å; M551-P570 HydrophobicContact CG-CB 4.04Å; M551-P570 WeakPolarHBondContact O-CG 3.37Å; M551-P570 HydrophobicContact SD-CB 4.34Å; M551-I574 HydrophobicContact SD-CD1 3.93Å; M551-I574 HydrophobicContact SD-CG1 4.18Å
552	S	97	Very high	95.7	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.4	173.7	-172.4	0	0	0	0	110.6	L527 Y528 L529 N530	L527-S552 PolarHBondContact O-N 2.93Å; Y528-S552 VanDerWaalsContact CD1-CB 3.49Å; L529-S552 WeakPolarHBondContact CA-O 3.28Å; L529-S552 WeakPolarHBondContact CB-O 3.39Å; L529-S552 PolarHBondContact N-O 3.5Å; N530-S552 PolarHBondContact N-O 3.38Å
553	I	96.6	Very high	95.5	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.072	32%	0.315	C	S	.	.			trans	-131.5	19.7	179.1	55.9	175.9	0	0	0	111.7	L529 M551 N555 C556 L558 P570 V573	L529-I553 HydrophobicContact CB-CG2 4.37Å; L529-I553 HydrophobicContact CD1-CG2 4.27Å; M551-I553 HydrophobicContact CE-CG2 3.26Å; M551-I553 HydrophobicContact CG-CG2 4.22Å; I553-N555 PolarHBondContact O-N 3.41Å; I553-C556 HydrophobicContact CB-CB 4.5Å; I553-C556 WeakPolarHBondContact O-CB 3.42Å; I553-C556 PolarHBondContact O-N 3.31Å; I553-L558 HydrophobicContact CB-CD1 4.25Å; I553-L558 HydrophobicContact CD1-CD1 3.92Å; I553-L558 HydrophobicContact CG2-CD1 4.46Å; I553-P570 HydrophobicContact CD1-CG 4.43Å; I553-P570 HydrophobicContact CG1-CG 4.2Å; I553-V573 HydrophobicContact CD1-CG2 3.83Å
554	E	95.7	Very high	95.6	Very high	106 Å²	106	62.9 Å²	62.9	50%	0.495	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.9	179.2	-64.2	-175.8	173	0	0	110.1	N530 N531 C556	N530-E554 CarbonylContact C-O 3.55Å; N530-E554 WeakPolarHBondContact CA-O 3.28Å; N530-E554 HydrophobicContact CB-CB 4.11Å; N530-E554 WeakPolarHBondContact CB-O 3.31Å; N531-E554 PolarHBondContact N-O 2.94Å; E554-C556 PolarHBondContact O-N 3.32Å
555	N	95.8	Very high	95.6	Very high	106 Å²	106	60 Å²	60	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	30.6	-177.3	-55	-35.7	0	0	0	114.5	N531 I553	N531-N555 WeakPolarHBondContact OD1-CB 3.25Å; N531-N555 PolarHBondContact OD1-ND2 3.26Å; I553-N555 PolarHBondContact O-N 3.41Å
556	C	96.7	Very high	95.5	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.061	34%	0.335	C	S	.	.			trans	-100.2	123.4	162.7	-62.4	0	0	0	0	109.2	L529 I553 E554 L558	L529-C556 PolarHBondContact O-SG 2.68Å; I553-C556 HydrophobicContact CB-CB 4.5Å; I553-C556 WeakPolarHBondContact O-CB 3.42Å; I553-C556 PolarHBondContact O-N 3.31Å; E554-C556 PolarHBondContact O-N 3.32Å; C556-L558 VanDerWaalsContact C-N 3.33Å; C556-L558 HydrophobicContact CB-CD1 4.29Å; C556-L558 HydrophobicContact CB-CD2 4.21Å; C556-L558 HydrophobicContact CB-CG 3.83Å; C556-L558 PolarHBondContact O-N 2.88Å
557	P	95.5	Very high	95.6	Very high	53 Å²	53	61.5 Å²	61.5	34%	0.344	33%	0.333	S	S	.	.			trans	-60	-38.3	-177.3	-25.9	32.8	0	0	0	114.6	N532 L533 L535 T559	N532-P557 WeakPolarHBondContact O-CD 3.36Å; L533-P557 WeakPolarHBondContact O-CG 3.33Å; L535-P557 WeakPolarHBondContact O-CD 3.39Å; P557-T559 HydrophobicContact CB-CG2 3.93Å; P557-T559 PolarHBondContact O-N 3.36Å
558	L	96.6	Very high	95.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.341	C	S	.	.			trans	43.4	39.8	178.1	-60.2	-176.2	0	0	0	113.9	L535 H536 L538 I553 C556 Q560 I561 V566	L535-L558 HydrophobicContact CD2-CD2 4.38Å; L535-L558 HydrophobicContact CG-CD2 4.09Å; L535-L558 PolarHBondContact O-N 2.86Å; H536-L558 CarbonylContact O-C 3.54Å; H536-L558 WeakPolarHBondContact O-CA 3.23Å; L538-L558 HydrophobicContact CD1-CD1 4.09Å; L538-L558 HydrophobicContact CD1-CD2 4.12Å; L538-L558 HydrophobicContact CD2-CD2 4.34Å; L538-L558 HydrophobicContact CG-CD2 3.79Å; I553-L558 HydrophobicContact CB-CD1 4.25Å; I553-L558 HydrophobicContact CD1-CD1 3.92Å; I553-L558 HydrophobicContact CG2-CD1 4.46Å; C556-L558 VanDerWaalsContact C-N 3.33Å; C556-L558 HydrophobicContact CB-CD1 4.29Å; C556-L558 HydrophobicContact CB-CD2 4.21Å; C556-L558 HydrophobicContact CB-CG 3.83Å; C556-L558 PolarHBondContact O-N 2.88Å; L558-Q560 PolarHBondContact O-N 3.14Å; L558-Q560 VanDerWaalsContact O-N 3.08Å; L558-I561 HydrophobicContact CB-CD1 4.3Å; L558-I561 HydrophobicContact CD1-CD1 4.36Å; L558-I561 HydrophobicContact CD2-CD1 4.43Å; L558-I561 PolarHBondContact O-N 2.95Å; L558-V566 HydrophobicContact CB-CG1 4.37Å; L558-V566 HydrophobicContact CB-CG2 3.83Å; L558-V566 HydrophobicContact CD1-CG1 4.18Å; L558-V566 HydrophobicContact CD1-CG2 4.31Å
559	T	95.5	Very high	95.3	Very high	87 Å²	87	60.6 Å²	60.6	53%	0.534	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	-169.7	53.5	0	0	0	0	114.6	H536 P557	H536-T559 PolarHBondContact ND1-OG1 2.98Å; H536-T559 PolarHBondContact O-N 3.1Å; P557-T559 HydrophobicContact CB-CG2 3.93Å; P557-T559 PolarHBondContact O-N 3.36Å
560	Q	95.3	Very high	95.2	Very high	131 Å²	131	55.4 Å²	55.4	61%	0.612	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.3	174.3	-59.1	-60	-27	0	0	112.8	H536 D537 L558	H536-Q560 WeakPolarHBondContact O-CB 3.32Å; H536-Q560 WeakPolarHBondContact O-CG 3.24Å; H536-Q560 PolarHBondContact O-N 2.77Å; D537-Q560 HydrophobicContact CB-CB 3.89Å; D537-Q560 HydrophobicContact CB-CG 4.03Å; L558-Q560 PolarHBondContact O-N 3.14Å; L558-Q560 VanDerWaalsContact O-N 3.08Å
561	I	95.6	Very high	95.1	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	33%	0.333	C	S	.	.	S	Bend	trans	-99.3	135.8	174.2	-61.1	166.5	0	0	0	108	L538 L558 V563 V565 V566 V573 Y576	L538-I561 HydrophobicContact CB-CD1 4.22Å; L538-I561 HydrophobicContact CD1-CD1 4.23Å; L538-I561 HydrophobicContact CG-CD1 4.3Å; L558-I561 HydrophobicContact CB-CD1 4.3Å; L558-I561 HydrophobicContact CD1-CD1 4.36Å; L558-I561 HydrophobicContact CD2-CD1 4.43Å; L558-I561 PolarHBondContact O-N 2.95Å; I561-V563 PolarHBondContact O-N 3.03Å; I561-V565 HydrophobicContact CG2-CB 3.92Å; I561-V565 HydrophobicContact CG2-CG1 3.7Å; I561-V566 HydrophobicContact CB-CG2 3.77Å; I561-V566 HydrophobicContact CG2-CG2 3.64Å; I561-V573 HydrophobicContact CD1-CG1 4.04Å; I561-Y576 HydrophobicContact CG1-CE1 4.25Å; I561-Y576 HydrophobicContact CG2-CD1 3.96Å; I561-Y576 HydrophobicContact CG2-CE1 4.07Å
562	P	95.7	Very high	95	Very high	49 Å²	49	58.4 Å²	58.4	32%	0.318	34%	0.344	S	S	.	.			trans	-51.6	134.3	178.2	-27.4	34.5	0	0	0	112.3	E564 V565 V566 Y576	P562-E564 PolarHBondContact O-N 2.9Å; P562-E564 VanDerWaalsContact O-N 3.15Å; P562-V565 HydrophobicContact CB-CB 4.39Å; P562-V565 HydrophobicContact CB-CG2 4.03Å; P562-V565 HydrophobicContact CG-CG2 4.34Å; P562-V565 WeakPolarHBondContact O-CA 3.49Å; P562-V565 VanDerWaalsContact O-CB 3.31Å; P562-V565 WeakPolarHBondContact O-CB 3.33Å; P562-V565 PolarHBondContact O-N 3.22Å; P562-V566 PolarHBondContact O-N 3.09Å; P562-V566 VanDerWaalsContact O-N 3.1Å; P562-Y576 HydrophobicContact CG-CE2 3.92Å
563	V	93.1	Very high	95	Very high	93 Å²	93	57.7 Å²	57.7	56%	0.564	34%	0.339	S	S	*	.	H	α-helix	trans	-59.9	-31.5	-174	69.4	0	0	0	0	112.1	I561 V565 V566 T567	I561-V563 PolarHBondContact O-N 3.03Å; V563-V565 VanDerWaalsContact C-N 3.29Å; V563-V565 PolarHBondContact O-N 3.1Å; V563-V566 PolarHBondContact O-N 3.05Å; V563-T567 HydrophobicContact CG2-CG2 4.23Å; V563-T567 WeakPolarHBondContact O-CB 3.42Å; V563-T567 VanDerWaalsContact O-CG2 3.26Å; V563-T567 WeakPolarHBondContact O-CG2 3.4Å; V563-T567 PolarHBondContact O-N 3.04Å; V563-T567 PolarHBondContact O-OG1 2.95Å
564	E	94.8	Very high	94.9	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-66.4	-32.8	176.1	-54.5	81	-174.7	0	0	112	P562 T567 G568	P562-E564 PolarHBondContact O-N 2.9Å; P562-E564 VanDerWaalsContact O-N 3.15Å; E564-T567 WeakPolarHBondContact CA-OG1 3.48Å; E564-T567 PolarHBondContact O-OG1 3.14Å; E564-G568 PolarHBondContact O-N 3.09Å
565	V	95	Very high	94.8	Very high	21 Å²	21	58.1 Å²	58.1	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-72.9	-47.7	176.3	172.8	0	0	0	0	110	I561 P562 V563 G568 L572 V573 Y576	I561-V565 HydrophobicContact CG2-CB 3.92Å; I561-V565 HydrophobicContact CG2-CG1 3.7Å; P562-V565 HydrophobicContact CB-CB 4.39Å; P562-V565 HydrophobicContact CB-CG2 4.03Å; P562-V565 HydrophobicContact CG-CG2 4.34Å; P562-V565 WeakPolarHBondContact O-CA 3.49Å; P562-V565 VanDerWaalsContact O-CB 3.31Å; P562-V565 WeakPolarHBondContact O-CB 3.33Å; P562-V565 PolarHBondContact O-N 3.22Å; V563-V565 VanDerWaalsContact C-N 3.29Å; V563-V565 PolarHBondContact O-N 3.1Å; V565-G568 PolarHBondContact O-N 3.05Å; V565-L572 HydrophobicContact CG1-CG 4.21Å; V565-V573 HydrophobicContact CG1-CB 4.42Å; V565-V573 HydrophobicContact CG1-CG2 4.02Å; V565-Y576 HydrophobicContact CG1-CD1 4.45Å; V565-Y576 HydrophobicContact CG1-CG 3.94Å; V565-Y576 HydrophobicContact CG2-CD2 4.07Å; V565-Y576 HydrophobicContact CG2-CG 4.31Å
566	V	94.2	Very high	94.8	Very high	30 Å²	30	55.8 Å²	55.8	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-44.6	179.8	-179.8	0	0	0	0	111.2	L558 I561 P562 V563 G568 G569	L558-V566 HydrophobicContact CB-CG1 4.37Å; L558-V566 HydrophobicContact CB-CG2 3.83Å; L558-V566 HydrophobicContact CD1-CG1 4.18Å; L558-V566 HydrophobicContact CD1-CG2 4.31Å; I561-V566 HydrophobicContact CB-CG2 3.77Å; I561-V566 HydrophobicContact CG2-CG2 3.64Å; P562-V566 PolarHBondContact O-N 3.09Å; P562-V566 VanDerWaalsContact O-N 3.1Å; V563-V566 PolarHBondContact O-N 3.05Å; V566-G568 VanDerWaalsContact C-N 3.28Å; V566-G568 PolarHBondContact O-N 3.02Å; V566-G569 PolarHBondContact O-N 3.02Å
567	T	92.8	Very high	94.7	Very high	109 Å²	109	55.5 Å²	55.5	67%	0.669	32%	0.323	S	S	*	.	H	α-helix	trans	-67.8	-25.3	177.6	51.3	0	0	0	0	113.5	V563 E564 G569	V563-T567 HydrophobicContact CG2-CG2 4.23Å; V563-T567 WeakPolarHBondContact O-CB 3.42Å; V563-T567 VanDerWaalsContact O-CG2 3.26Å; V563-T567 WeakPolarHBondContact O-CG2 3.4Å; V563-T567 PolarHBondContact O-N 3.04Å; V563-T567 PolarHBondContact O-OG1 2.95Å; E564-T567 WeakPolarHBondContact CA-OG1 3.48Å; E564-T567 PolarHBondContact O-OG1 3.14Å; T567-G569 PolarHBondContact O-N 3.33Å
568	G	92.5	Very high	94.6	Very high	47 Å²	47	59.3 Å²	59.3	49%	0.485	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.4	170.2	0	0	0	0	0	114.2	E564 V565 V566	E564-G568 PolarHBondContact O-N 3.09Å; V565-G568 PolarHBondContact O-N 3.05Å; V566-G568 VanDerWaalsContact C-N 3.28Å; V566-G568 PolarHBondContact O-N 3.02Å
569	G	93.2	Very high	94.4	Very high	18 Å²	18	64.4 Å²	64.4	19%	0.186	36%	0.357	C	S	.	.			trans	87.6	178.8	172.4	0	0	0	0	0	114.4	V566 T567 S571 L572 V573	V566-G569 PolarHBondContact O-N 3.02Å; T567-G569 PolarHBondContact O-N 3.33Å; G569-S571 VanDerWaalsContact C-N 3.28Å; G569-S571 PolarHBondContact O-N 2.95Å; G569-S571 VanDerWaalsContact O-N 3.17Å; G569-L572 PolarHBondContact O-N 3.06Å; G569-L572 VanDerWaalsContact O-N 3.07Å; G569-V573 PolarHBondContact O-N 3.38Å
570	P	94.4	Very high	94.1	Very high	42 Å²	42	64 Å²	64	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-55.7	-38.5	-170.7	-20	25	0	0	0	114	M551 I553 L572 V573 I574	M551-P570 HydrophobicContact CB-CB 3.85Å; M551-P570 HydrophobicContact CG-CB 4.04Å; M551-P570 WeakPolarHBondContact O-CG 3.37Å; M551-P570 HydrophobicContact SD-CB 4.34Å; I553-P570 HydrophobicContact CD1-CG 4.43Å; I553-P570 HydrophobicContact CG1-CG 4.2Å; P570-L572 VanDerWaalsContact C-N 3.34Å; P570-L572 PolarHBondContact O-N 3.22Å; P570-V573 PolarHBondContact O-N 2.98Å; P570-I574 WeakPolarHBondContact O-CG1 3.46Å; P570-I574 PolarHBondContact O-N 2.95Å
571	S	94.3	Very high	93.3	Very high	93 Å²	93	58.4 Å²	58.4	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-38.1	-179.8	-52.6	0	0	0	0	112.8	G569 Q575	G569-S571 VanDerWaalsContact C-N 3.28Å; G569-S571 PolarHBondContact O-N 2.95Å; G569-S571 VanDerWaalsContact O-N 3.17Å; S571-Q575 WeakPolarHBondContact O-CG 3.45Å; S571-Q575 PolarHBondContact O-N 2.99Å
572	L	95	Very high	92.1	Very high	66 Å²	66	61.5 Å²	61.5	35%	0.346	35%	0.349	S	S	.	.	H	α-helix	trans	-74.4	-36.4	179	-170.3	59.4	0	0	0	111.1	V565 G569 P570 Q575 Y576	V565-L572 HydrophobicContact CG1-CG 4.21Å; G569-L572 PolarHBondContact O-N 3.06Å; G569-L572 VanDerWaalsContact O-N 3.07Å; P570-L572 VanDerWaalsContact C-N 3.34Å; P570-L572 PolarHBondContact O-N 3.22Å; L572-Q575 PolarHBondContact O-N 3.06Å; L572-Y576 PolarHBondContact O-N 3.09Å
573	V	96.1	Very high	90.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-48.9	171.8	174.6	0	0	0	0	111.1	L538 I553 I561 V565 G569 P570 Q575 Y576 L577	L538-V573 HydrophobicContact CD1-CG1 3.82Å; I553-V573 HydrophobicContact CD1-CG2 3.83Å; I561-V573 HydrophobicContact CD1-CG1 4.04Å; V565-V573 HydrophobicContact CG1-CB 4.42Å; V565-V573 HydrophobicContact CG1-CG2 4.02Å; G569-V573 PolarHBondContact O-N 3.38Å; P570-V573 PolarHBondContact O-N 2.98Å; V573-Q575 VanDerWaalsContact C-N 3.31Å; V573-Q575 PolarHBondContact O-N 3.2Å; V573-Y576 WeakPolarHBondContact O-CB 3.36Å; V573-Y576 PolarHBondContact O-N 3.33Å; V573-Y576 VanDerWaalsContact O-N 3.17Å; V573-L577 HydrophobicContact CG1-CD1 4.11Å; V573-L577 HydrophobicContact CG1-CG 4.41Å; V573-L577 WeakPolarHBondContact O-CG 3.45Å; V573-L577 PolarHBondContact O-N 3.29Å
574	I	94.8	Very high	88.6	Confident	19 Å²	19	65 Å²	65	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-60.4	-40.2	176.9	-66.4	-64.2	0	0	0	111.7	L542 A543 L548 M551 P570 L577 R578	L542-I574 HydrophobicContact CD2-CD1 4.12Å; L542-I574 HydrophobicContact CG-CD1 3.94Å; A543-I574 HydrophobicContact CB-CG2 4.43Å; L548-I574 HydrophobicContact CD2-CD1 4.1Å; M551-I574 HydrophobicContact SD-CD1 3.93Å; M551-I574 HydrophobicContact SD-CG1 4.18Å; P570-I574 WeakPolarHBondContact O-CG1 3.46Å; P570-I574 PolarHBondContact O-N 2.95Å; I574-L577 PolarHBondContact O-N 3.43Å; I574-R578 WeakPolarHBondContact O-CG 3.25Å; I574-R578 PolarHBondContact O-N 3.35Å
575	Q	93.9	Very high	86.1	Confident	111 Å²	111	66 Å²	66	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.6	-72.9	176.8	9.6	0	0	112.3	S571 L572 V573 R578 L579	S571-Q575 WeakPolarHBondContact O-CG 3.45Å; S571-Q575 PolarHBondContact O-N 2.99Å; L572-Q575 PolarHBondContact O-N 3.06Å; V573-Q575 VanDerWaalsContact C-N 3.31Å; V573-Q575 PolarHBondContact O-N 3.2Å; Q575-R578 PolarHBondContact O-N 3.49Å; Q575-L579 WeakPolarHBondContact O-CG 3.34Å; Q575-L579 PolarHBondContact O-N 3.46Å; Q575-L579 VanDerWaalsContact O-N 3.17Å
576	Y	95.3	Very high	83.5	Confident	57 Å²	57	74.1 Å²	74.1	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-46.7	175.2	172.1	-96.5	0	0	0	111.7	I561 P562 V565 L572 V573 R578 L579 Q580	I561-Y576 HydrophobicContact CG1-CE1 4.25Å; I561-Y576 HydrophobicContact CG2-CD1 3.96Å; I561-Y576 HydrophobicContact CG2-CE1 4.07Å; P562-Y576 HydrophobicContact CG-CE2 3.92Å; V565-Y576 HydrophobicContact CG1-CD1 4.45Å; V565-Y576 HydrophobicContact CG1-CG 3.94Å; V565-Y576 HydrophobicContact CG2-CD2 4.07Å; V565-Y576 HydrophobicContact CG2-CG 4.31Å; L572-Y576 PolarHBondContact O-N 3.09Å; V573-Y576 WeakPolarHBondContact O-CB 3.36Å; V573-Y576 PolarHBondContact O-N 3.33Å; V573-Y576 VanDerWaalsContact O-N 3.17Å; Y576-R578 VanDerWaalsContact C-N 3.32Å; Y576-R578 PolarHBondContact O-N 3.28Å; Y576-L579 WeakPolarHBondContact O-CB 3.35Å; Y576-L579 PolarHBondContact O-N 3.15Å; Y576-L579 VanDerWaalsContact O-N 3.12Å; Y576-Q580 HydrophobicContact CD1-CG 4.25Å; Y576-Q580 HydrophobicContact CE1-CG 3.78Å; Y576-Q580 HydrophobicContact CE2-CG 4.1Å; Y576-Q580 WeakPolarHBondContact O-CG 3.49Å; Y576-Q580 PolarHBondContact O-N 2.87Å
577	L	95.5	Very high	82.9	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.016	42%	0.417	C	S	.	.	H	α-helix	trans	-60.7	-39.6	177.5	-66.8	175.7	0	0	0	112	L538 L542 A543 V573 I574 L579 Q580 G581	L538-L577 HydrophobicContact CB-CD1 3.97Å; L538-L577 HydrophobicContact CB-CD2 4.49Å; L538-L577 WeakPolarHBondContact O-CD2 3.34Å; L542-L577 HydrophobicContact CB-CD1 4.25Å; L542-L577 HydrophobicContact CD2-CD1 4.28Å; A543-L577 HydrophobicContact CB-CB 4.01Å; V573-L577 HydrophobicContact CG1-CD1 4.11Å; V573-L577 HydrophobicContact CG1-CG 4.41Å; V573-L577 WeakPolarHBondContact O-CG 3.45Å; V573-L577 PolarHBondContact O-N 3.29Å; I574-L577 PolarHBondContact O-N 3.43Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 3.38Å; L577-Q580 PolarHBondContact O-N 3.02Å; L577-G581 PolarHBondContact O-N 2.72Å
578	R	92.8	Very high	82.4	Confident	133 Å²	133	74.6 Å²	74.6	50%	0.502	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-42.3	173.4	-75.5	178.1	-175.7	165.6	4.4	112.5	A543 I574 Q575 Y576 S582	A543-R578 HydrophobicContact CB-CB 4.27Å; A543-R578 HydrophobicContact CB-CG 3.35Å; I574-R578 WeakPolarHBondContact O-CG 3.25Å; I574-R578 PolarHBondContact O-N 3.35Å; Q575-R578 PolarHBondContact O-N 3.49Å; Y576-R578 VanDerWaalsContact C-N 3.32Å; Y576-R578 PolarHBondContact O-N 3.28Å; R578-S582 PolarHBondContact O-N 3.26Å; R578-S582 VanDerWaalsContact O-N 3.14Å; R578-S582 PolarHBondContact O-OG 3Å
579	L	92.3	Very high	81.9	Confident	106 Å²	106	76.1 Å²	76.1	56%	0.555	40%	0.4	S	S	*	.	H	α-helix	trans	-66.4	-46.9	178.6	-69.2	171.7	0	0	0	110.7	Q575 Y576 L577 G581 S582 F583	Q575-L579 WeakPolarHBondContact O-CG 3.34Å; Q575-L579 PolarHBondContact O-N 3.46Å; Q575-L579 VanDerWaalsContact O-N 3.17Å; Y576-L579 WeakPolarHBondContact O-CB 3.35Å; Y576-L579 PolarHBondContact O-N 3.15Å; Y576-L579 VanDerWaalsContact O-N 3.12Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 3.38Å; L579-G581 PolarHBondContact O-N 3.26Å; L579-S582 WeakPolarHBondContact O-CB 3.01Å; L579-S582 PolarHBondContact O-N 3.28Å; L579-S582 VanDerWaalsContact O-N 3.16Å; L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 WeakPolarHBondContact O-CE2 3.44Å; L579-F583 PolarHBondContact O-N 3.18Å
580	Q	88.8	Confident	81.2	Confident	79 Å²	79	79.5 Å²	79.5	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-44.1	178.1	-65.8	-56.8	-37.8	0	0	112.4	T540 Y576 L577 S582 F583 S584	T540-Q580 HydrophobicContact CG2-CB 3.79Å; Y576-Q580 HydrophobicContact CD1-CG 4.25Å; Y576-Q580 HydrophobicContact CE1-CG 3.78Å; Y576-Q580 HydrophobicContact CE2-CG 4.1Å; Y576-Q580 WeakPolarHBondContact O-CG 3.49Å; Y576-Q580 PolarHBondContact O-N 2.87Å; L577-Q580 PolarHBondContact O-N 3.02Å; Q580-S582 PolarHBondContact O-N 3.09Å; Q580-F583 PolarHBondContact O-N 2.79Å; Q580-S584 PolarHBondContact O-N 3.11Å
581	G	79.1	Confident	80.4	Confident	13 Å²	13	81.9 Å²	81.9	13%	0.134	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-26.5	176.2	0	0	0	0	0	114	L577 L579 F583 S584 H585	L577-G581 PolarHBondContact O-N 2.72Å; L579-G581 PolarHBondContact O-N 3.26Å; G581-F583 VanDerWaalsContact C-N 3.26Å; G581-F583 PolarHBondContact O-N 2.67Å; G581-S584 WeakPolarHBondContact CA-OG 3.13Å; G581-S584 PolarHBondContact O-N 2.79Å; G581-S584 PolarHBondContact O-OG 2.89Å; G581-H585 PolarHBondContact O-CD2 3.11Å
582	S	71.2	Confident	79.4	Confident	71 Å²	71	81.1 Å²	81.1	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-70.6	-24.1	174.4	-56.8	0	0	0	0	112.4	R578 L579 Q580 I586	R578-S582 PolarHBondContact O-N 3.26Å; R578-S582 VanDerWaalsContact O-N 3.14Å; R578-S582 PolarHBondContact O-OG 3Å; L579-S582 WeakPolarHBondContact O-CB 3.01Å; L579-S582 PolarHBondContact O-N 3.28Å; L579-S582 VanDerWaalsContact O-N 3.16Å; Q580-S582 PolarHBondContact O-N 3.09Å; S582-I586 WeakPolarHBondContact O-CD1 3.43Å
583	F	60	Low	78.3	Confident	139 Å²	139	82.2 Å²	82.2	61%	0.61	41%	0.41	S	S	*	.	H	α-helix	trans	-89.9	-16.4	176.6	-65	-71.4	0	0	0	113.5	L579 Q580 G581	L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 WeakPolarHBondContact O-CE2 3.44Å; L579-F583 PolarHBondContact O-N 3.18Å; Q580-F583 PolarHBondContact O-N 2.79Å; G581-F583 VanDerWaalsContact C-N 3.26Å; G581-F583 PolarHBondContact O-N 2.67Å
584	S	54.2	Low	77	Confident	75 Å²	75	88.5 Å²	88.5	52%	0.524	44%	0.441	S	S	.	.	H	α-helix	trans	-84.9	-14.3	177.5	57.3	0	0	0	0	114.1	Q580 G581	Q580-S584 PolarHBondContact O-N 3.11Å; G581-S584 WeakPolarHBondContact CA-OG 3.13Å; G581-S584 PolarHBondContact O-N 2.79Å; G581-S584 PolarHBondContact O-OG 2.89Å
585	H	43	Very low	75.5	Confident	153 Å²	153	94.3 Å²	94.3	71%	0.708	47%	0.47	S	S	*	.			trans	-100.9	7	175.6	-70	-59.1	0	0	0	114.5	G581	G581-H585 PolarHBondContact O-CD2 3.11Å
586	I	39.8	Very low	73.8	Confident	192 Å²	192	92.8 Å²	92.8	99%	0.985	47%	0.466	S	S	*	.			trans	-106	0	169.9	-57.2	171.7	0	0	0	107.8	S582	S582-I586 WeakPolarHBondContact O-CD1 3.43Å

Retrieved 586 of 586 residues in 929.8 ms (Link to these results)

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