A0A096NQL2_PAPAN Loading...

N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase

Cleaves the GlcNAc-Asn bond which joins oligosaccharides to the peptide of asparagine-linked glycoproteins.

AlphaFold DB , UniProt , Accession A0A096NQL2, Species PAPAN (Papio anubis, Olive baboon), Gene AGA, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.8	Very low	44.9	Very low	252 Å²	252	168.4 Å²	168.4	100%	1.241	87%	0.865	S	S	*	*				0	103.7	0	-96.5	175.1	172.9	0	0	109
2	A	40.9	Very low	45.1	Very low	101 Å²	101	164.4 Å²	164.4	84%	0.835	85%	0.854	S	S	*	*			trans	-159.6	114	160.1	0	0	0	0	0	107.6
3	R	42	Very low	45.2	Very low	255 Å²	255	159.9 Å²	159.9	96%	0.962	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.8	125	-172.7	-95.8	172	164.9	172.9	-5	110.9
4	K	43	Very low	45.2	Very low	204 Å²	204	159.6 Å²	159.6	89%	0.887	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-83.5	116.3	160.9	-74.3	-175.3	177.1	-178.1	0	108.9
5	S	46.7	Very low	45.3	Very low	113 Å²	113	159.9 Å²	159.9	79%	0.79	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.3	170.6	175.4	0	0	0	0	109.6
6	K	46.3	Very low	45.4	Very low	201 Å²	201	158.9 Å²	158.9	87%	0.874	84%	0.836	S	S	*	*			trans	-103.6	114	168.3	-72.5	-172.5	178.2	-175.6	0	107.6
7	L	44.9	Very low	45.3	Very low	162 Å²	162	157.2 Å²	157.2	85%	0.848	84%	0.838	S	S	*	*			trans	-83.3	128.9	171.3	-157.7	75.6	0	0	0	108.3
8	P	48.4	Very low	45.3	Very low	101 Å²	101	158.2 Å²	158.2	66%	0.656	84%	0.837	S	S	*	*			trans	-80.9	128.8	176.8	31.9	-29	0	0	0	109.4	L10	P8-L10 PolarHBondContact O-N 3.45Å
9	L	45.1	Very low	45.4	Very low	160 Å²	160	154.4 Å²	154.4	84%	0.838	83%	0.83	S	S	*	*			trans	-74.4	104.1	171.6	-156.3	82.5	0	0	0	107.7	L11	L9-L11 PolarHBondContact O-N 3.41Å
10	L	44	Very low	45.4	Very low	150 Å²	150	154.9 Å²	154.9	79%	0.785	83%	0.831	S	S	*	*			trans	-73.2	111.2	170.4	-101.4	107	0	0	0	108.9	P8 V12	P8-L10 PolarHBondContact O-N 3.45Å; L10-V12 PolarHBondContact O-N 3.3Å
11	L	46.3	Very low	45.3	Very low	153 Å²	153	153.9 Å²	153.9	80%	0.801	83%	0.83	S	S	*	*			trans	-70.1	111.2	161.3	-102.5	88.8	0	0	0	108.2	L9	L9-L11 PolarHBondContact O-N 3.41Å
12	V	46.7	Very low	45.5	Very low	121 Å²	121	151.2 Å²	151.2	73%	0.733	81%	0.807	S	S	*	*			trans	-82.1	120.2	165.3	179.7	0	0	0	0	107.1	L10 L14	L10-V12 PolarHBondContact O-N 3.3Å; V12-L14 PolarHBondContact O-N 2.96Å
13	P	46	Very low	45.9	Very low	106 Å²	106	151.8 Å²	151.8	69%	0.688	80%	0.803	S	S	*	*			trans	-69.7	119.2	173.2	10.4	0.2	0	0	0	108.1	L15	P13-L15 VanDerWaalsContact C-N 3.31Å; P13-L15 PolarHBondContact O-N 2.97Å
14	L	46.1	Very low	46.9	Very low	156 Å²	156	144 Å²	144	82%	0.817	79%	0.788	S	S	*	*			trans	-65.3	94.4	168.3	-143.9	91.5	0	0	0	107	V12 L16	V12-L14 PolarHBondContact O-N 2.96Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.46Å
15	L	46.7	Very low	48.2	Very low	163 Å²	163	136 Å²	136	85%	0.853	76%	0.757	S	S	*	*			trans	-63.1	97.8	168	-87.8	151.3	0	0	0	106.9	P13 C17	P13-L15 VanDerWaalsContact C-N 3.31Å; P13-L15 PolarHBondContact O-N 2.97Å; L15-C17 VanDerWaalsContact C-N 3.32Å; L15-C17 PolarHBondContact O-N 2.72Å
16	L	47	Very low	50.1	Low	145 Å²	145	131.9 Å²	131.9	76%	0.759	73%	0.728	S	S	*	*			trans	-57.5	103.6	161.9	-96	94.6	0	0	0	106.5	L14 Q18	L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.46Å; L16-Q18 PolarHBondContact O-N 2.66Å
17	C	43.9	Very low	52.4	Low	129 Å²	129	124.6 Å²	124.6	87%	0.872	70%	0.699	S	S	*	*			trans	-60.3	95	161.5	-126.9	0	0	0	0	105.8	L15 A19	L15-C17 VanDerWaalsContact C-N 3.32Å; L15-C17 PolarHBondContact O-N 2.72Å; C17-A19 VanDerWaalsContact C-N 3.26Å; C17-A19 PolarHBondContact O-N 2.54Å
18	Q	45	Very low	54.9	Low	175 Å²	175	117.9 Å²	117.9	82%	0.818	67%	0.665	S	S	*	*			trans	-63.3	100.4	162.5	-71.3	-176.1	-4.4	0	0	105	L16 L20	L16-Q18 PolarHBondContact O-N 2.66Å; Q18-L20 PolarHBondContact O-N 3.09Å
19	A	46.9	Very low	57.3	Low	86 Å²	86	113.1 Å²	113.1	71%	0.711	63%	0.634	S	S	*	*			trans	-52.4	110.7	163.9	0	0	0	0	0	105.7	C17 V21	C17-A19 VanDerWaalsContact C-N 3.26Å; C17-A19 PolarHBondContact O-N 2.54Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 2.78Å
20	L	46.3	Very low	59.8	Low	164 Å²	164	105.5 Å²	105.5	86%	0.859	59%	0.594	S	S	*	*			trans	-53.2	104.5	169.2	-84.2	150.3	0	0	0	105.7	Q18 R22	Q18-L20 PolarHBondContact O-N 3.09Å; L20-R22 PolarHBondContact O-N 2.77Å
21	V	43.3	Very low	62.4	Low	134 Å²	134	98.3 Å²	98.3	81%	0.812	56%	0.556	S	S	*	*			trans	-62	96	167.7	177.9	0	0	0	0	104.3	A19 C23	A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 2.78Å; V21-C23 PolarHBondContact O-N 3.29Å
22	R	49.3	Very low	64.9	Low	197 Å²	197	91 Å²	91	74%	0.743	52%	0.518	S	S	*	.			trans	-60.1	110	167.5	-81.7	-177.2	172.7	-178.6	-4.2	105	L20 S24	L20-R22 PolarHBondContact O-N 2.77Å; R22-S24 PolarHBondContact O-N 2.83Å
23	C	50.1	Low	67.4	Low	112 Å²	112	85.3 Å²	85.3	76%	0.757	48%	0.483	S	S	*	.			trans	-61.9	100.4	177.4	-146.8	0	0	0	0	106.6	V21 S25	V21-C23 PolarHBondContact O-N 3.29Å; C23-S25 PolarHBondContact O-N 2.86Å
24	S	62.2	Low	69.9	Low	91 Å²	91	81.5 Å²	81.5	64%	0.636	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-70.4	117.4	172.9	55.2	0	0	0	0	107.3	R22	R22-S24 PolarHBondContact O-N 2.83Å
25	S	71.6	Confident	72.3	Confident	36 Å²	36	77.1 Å²	77.1	25%	0.252	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-71.2	150.2	169.3	-61.6	0	0	0	0	108.9	C23 T310 G311	C23-S25 PolarHBondContact O-N 2.86Å; S25-T310 PolarHBondContact N-O 2.77Å; S25-G311 VanDerWaalsContact CB-C 3.48Å; S25-G311 WeakPolarHBondContact CB-O 3.16Å
26	P	86.4	Confident	74.7	Confident	28 Å²	28	70.4 Å²	70.4	18%	0.182	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-80.6	134.8	-166.9	37.7	-42.4	0	0	0	110.9	N332 S333 E334	P26-N332 HydrophobicContact CG-CB 4.35Å; P26-S333 WeakPolarHBondContact CB-OG 3.45Å; P26-E334 WeakPolarHBondContact CD-OE1 3.5Å; P26-E334 HydrophobicContact CG-CB 3.96Å; P26-E334 HydrophobicContact CG-CG 3.64Å; P26-E334 WeakPolarHBondContact CG-OE1 3.32Å
27	L	93.9	Very high	77.1	Confident	48 Å²	48	67.2 Å²	67.2	25%	0.251	38%	0.38	S	S	.	.	S	Bend	trans	-93.6	153.2	173.1	-63.1	-179.7	0	0	0	110.4	L29 I212 S333	L27-L29 HydrophobicContact CD2-CB 3.97Å; L27-I212 HydrophobicContact CD1-CG2 3.73Å; L27-I212 HydrophobicContact CD2-CB 3.79Å; L27-I212 HydrophobicContact CD2-CG2 3.45Å; L27-I212 VanDerWaalsContact CD2-CG2 3.45Å; L27-I212 HydrophobicContact CG-CG2 4.22Å; L27-S333 PolarHBondContact O-OG 2.77Å
28	P	97.2	Very high	79.7	Confident	21 Å²	21	64.2 Å²	64.2	14%	0.136	36%	0.355	C	S	.	.	S	Bend	cis	-71.9	161	0.4	30.3	-31.5	0	0	0	113.1	W44 L47 I212 N332	P28-W44 HydrophobicContact CB-CZ3 4.38Å; P28-W44 HydrophobicContact CG-CH2 3.66Å; P28-W44 HydrophobicContact CG-CZ2 4.39Å; P28-W44 HydrophobicContact CG-CZ3 3.82Å; P28-W44 WeakPolarHBondContact O-CZ3 3.29Å; P28-L47 HydrophobicContact CB-CD1 3.73Å; P28-L47 HydrophobicContact CG-CD1 4.23Å; P28-I212 CarbonylContact C-O 3.59Å; P28-I212 WeakPolarHBondContact CA-O 3.44Å; P28-I212 WeakPolarHBondContact CB-O 3.28Å; P28-N332 WeakPolarHBondContact O-CA 3.38Å
29	L	98.4	Very high	82.3	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.2	176.9	177.9	69.4	0	0	0	109.5	L27 L31 V211 I212 A307 Y313 V330 N332	L27-L29 HydrophobicContact CD2-CB 3.97Å; L29-L31 HydrophobicContact CD1-CD2 3.95Å; L29-L31 HydrophobicContact CD1-CG 4.48Å; L29-L31 HydrophobicContact CD2-CD1 4.4Å; L29-L31 HydrophobicContact CD2-CD2 4.4Å; L29-L31 HydrophobicContact CD2-CG 4.26Å; L29-L31 HydrophobicContact CG-CD2 4.22Å; L29-L31 HydrophobicContact CG-CG 4.21Å; L29-V211 CarbonylContact O-C 3.55Å; L29-V211 WeakPolarHBondContact O-CA 3.43Å; L29-I212 HydrophobicContact CB-CB 4.27Å; L29-I212 HydrophobicContact CD2-CD1 4.32Å; L29-I212 PolarHBondContact N-O 2.83Å; L29-I212 PolarHBondContact O-N 3.34Å; L29-A307 HydrophobicContact CD2-CB 3.79Å; L29-Y313 HydrophobicContact CD1-CD1 4.06Å; L29-Y313 HydrophobicContact CD1-CE1 4.42Å; L29-Y313 HydrophobicContact CD2-CD1 4.27Å; L29-V330 HydrophobicContact CD1-CG1 3.96Å; L29-N332 HydrophobicContact CD1-CB 3.97Å
30	V	98.7	Very high	84.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.3	170.7	179.6	0	0	0	0	108.1	T40 A43 W44 L47 V211 V330 Y331	V30-T40 HydrophobicContact CB-CG2 4.23Å; V30-T40 HydrophobicContact CG1-CG2 3.72Å; V30-A43 HydrophobicContact CG1-CB 3.7Å; V30-A43 HydrophobicContact CG2-CB 4.36Å; V30-W44 HydrophobicContact CG2-CE3 3.93Å; V30-L47 HydrophobicContact CG2-CD1 3.84Å; V30-V211 HydrophobicContact CG1-CG2 4.33Å; V30-V211 HydrophobicContact CG2-CG1 4.39Å; V30-V211 HydrophobicContact CG2-CG2 4.27Å; V30-V330 WeakPolarHBondContact O-CA 3.37Å; V30-Y331 PolarHBondContact N-O 2.7Å; V30-Y331 PolarHBondContact O-N 2.67Å
31	L	98.8	Very high	87.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.7	171.4	-51.9	177.8	0	0	0	109.7	L29 M209 V210 I305 A307 Y313 F328 M329 V330	L29-L31 HydrophobicContact CD1-CD2 3.95Å; L29-L31 HydrophobicContact CD1-CG 4.48Å; L29-L31 HydrophobicContact CD2-CD1 4.4Å; L29-L31 HydrophobicContact CD2-CD2 4.4Å; L29-L31 HydrophobicContact CD2-CG 4.26Å; L29-L31 HydrophobicContact CG-CD2 4.22Å; L29-L31 HydrophobicContact CG-CG 4.21Å; L31-M209 CarbonylContact O-C 3.54Å; L31-M209 VanDerWaalsContact O-CA 3.31Å; L31-M209 WeakPolarHBondContact O-CA 3.49Å; L31-M209 WeakPolarHBondContact O-CG 3.21Å; L31-V210 HydrophobicContact CB-CB 4.3Å; L31-V210 PolarHBondContact N-O 2.92Å; L31-V210 PolarHBondContact O-N 3.2Å; L31-I305 HydrophobicContact CB-CD1 3.85Å; L31-A307 HydrophobicContact CD1-CB 3.75Å; L31-Y313 HydrophobicContact CD1-CG 4.49Å; L31-Y313 HydrophobicContact CD2-CD1 4.5Å; L31-Y313 HydrophobicContact CD2-CD2 4.29Å; L31-Y313 HydrophobicContact CD2-CG 4.08Å; L31-F328 HydrophobicContact CD2-CE2 4.47Å; L31-M329 VanDerWaalsContact CA-O 3.29Å; L31-M329 WeakPolarHBondContact CA-O 3.2Å; L31-V330 HydrophobicContact CD2-CB 4.01Å; L31-V330 HydrophobicContact CD2-CG1 3.76Å; L31-V330 HydrophobicContact CD2-CG2 3.57Å
32	N	98.6	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.1	158.8	68.2	-92.8	0	0	0	112.8	W34 T40 I207 G208 M209 F328 M329	N32-W34 PolarHBondContact ND2-O 3.44Å; N32-T40 PolarHBondContact OD1-OG1 3.17Å; N32-I207 HydrophobicContact CB-CD1 4.36Å; N32-I207 HydrophobicContact CB-CG1 4.24Å; N32-G208 CarbonylContact C-O 3.59Å; N32-G208 WeakPolarHBondContact CA-O 3.38Å; N32-G208 WeakPolarHBondContact CB-O 3.29Å; N32-M209 HydrophobicContact CB-CB 4.41Å; N32-M209 HydrophobicContact CB-CE 3.89Å; N32-F328 WeakPolarHBondContact O-CA 3.45Å; N32-F328 WeakPolarHBondContact O-CB 3.36Å; N32-M329 PolarHBondContact N-O 2.74Å; N32-M329 VanDerWaalsContact N-O 3.12Å; N32-M329 PolarHBondContact O-N 3.13Å; N32-M329 WeakPolarHBondContact OD1-CB 3.4Å
33	T	98.6	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	147.5	171.4	54.6	0	0	0	0	110.4	F36 T206 I207 G208 T257 I305 F326	T33-F36 WeakPolarHBondContact O-CD2 3.4Å; T33-T206 PolarHBondContact OG1-O 2.94Å; T33-I207 WeakPolarHBondContact OG1-CA 3.41Å; T33-G208 PolarHBondContact N-O 2.87Å; T33-G208 PolarHBondContact OG1-N 2.91Å; T33-T257 HydrophobicContact CG2-CG2 3.95Å; T33-I305 HydrophobicContact CG2-CD1 4.04Å; T33-I305 HydrophobicContact CG2-CG1 4.04Å; T33-I305 HydrophobicContact CG2-CG2 4.32Å; T33-F326 HydrophobicContact CG2-CZ 4Å
34	W	98.1	Very high	94.5	Very high	26 Å²	26	26.9 Å²	26.9	10%	0.098	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	65.3	162	177.9	-51.8	109	0	0	0	114	N32 F36 D205 T206 T257 F301 F323 F326 S327 M329	N32-W34 PolarHBondContact ND2-O 3.44Å; W34-F36 HydrophobicContact CB-CD1 4.06Å; W34-F36 HydrophobicContact CB-CD2 3.95Å; W34-F36 HydrophobicContact CB-CE1 3.67Å; W34-F36 HydrophobicContact CB-CE2 3.59Å; W34-F36 HydrophobicContact CB-CG 4.18Å; W34-F36 HydrophobicContact CB-CZ 3.42Å; W34-F36 VanDerWaalsContact CB-CZ 3.42Å; W34-F36 AromaticContact CD1-CE2 3.84Å; W34-F36 AromaticContact CD1-CZ 3.93Å; W34-F36 HydrophobicContact CG-CE1 4.47Å; W34-F36 HydrophobicContact CG-CE2 4.05Å; W34-F36 AromaticContact CG-CZ 3.86Å; W34-F36 HydrophobicContact CG-CZ 3.86Å; W34-F36 PolarHBondContact O-N 3Å; W34-D205 HydrophobicContact CD2-CB 4.29Å; W34-D205 VanDerWaalsContact CE2-OD1 3.29Å; W34-D205 HydrophobicContact CG-CB 4.39Å; W34-D205 WeakPolarHBondContact CH2-OD1 3.12Å; W34-D205 HydrophobicContact CZ2-CB 4.34Å; W34-D205 WeakPolarHBondContact CZ2-OD1 3.13Å; W34-T206 VanDerWaalsContact CD1-O 3.26Å; W34-T206 PolarHBondContact NE1-O 2.96Å; W34-T257 HydrophobicContact CZ2-CG2 3.78Å; W34-T257 PolarHBondContact NE1-OG1 3.44Å; W34-F301 HydrophobicContact CH2-CE2 4.19Å; W34-F301 AromaticContact CH2-CZ 3.61Å; W34-F301 HydrophobicContact CH2-CZ 3.61Å; W34-F301 HydrophobicContact CZ2-CE1 4.31Å; W34-F301 AromaticContact CZ2-CZ 3.72Å; W34-F301 HydrophobicContact CZ2-CZ 3.72Å; W34-F323 AromaticContact CH2-CE2 3.61Å; W34-F323 HydrophobicContact CH2-CE2 3.61Å; W34-F323 AromaticContact CH2-CZ 3.78Å; W34-F323 HydrophobicContact CH2-CZ 3.78Å; W34-F323 AromaticContact CZ3-CE2 3.89Å; W34-F323 HydrophobicContact CZ3-CE2 3.89Å; W34-F323 HydrophobicContact CZ3-CZ 4.38Å; W34-F326 AromaticContact CD2-CE2 3.97Å; W34-F326 HydrophobicContact CD2-CE2 3.97Å; W34-F326 AromaticContact CE2-CE2 3.93Å; W34-F326 HydrophobicContact CE3-CD2 4.24Å; W34-F326 HydrophobicContact CE3-CE2 4.1Å; W34-F326 HydrophobicContact CH2-CD2 4Å; W34-F326 HydrophobicContact CH2-CE2 4.17Å; W34-F326 HydrophobicContact CZ2-CD2 4.29Å; W34-F326 HydrophobicContact CZ2-CE2 4.02Å; W34-F326 AromaticContact CZ3-CD2 3.98Å; W34-F326 HydrophobicContact CZ3-CD2 3.98Å; W34-F326 HydrophobicContact CZ3-CE2 4.21Å; W34-S327 WeakPolarHBondContact CA-O 3.35Å; W34-S327 PolarHBondContact N-O 3.13Å; W34-M329 WeakPolarHBondContact O-CG 3.06Å
35	P	96.9	Very high	96.3	Very high	64 Å²	64	29.4 Å²	29.4	42%	0.416	15%	0.145	S	C	.	.	S	Bend	trans	-78.1	42.7	-176.3	32.7	-35.9	0	0	0	113.4	K37 M329 E340	P35-K37 VanDerWaalsContact C-N 3.26Å; P35-K37 PolarHBondContact O-N 2.99Å; P35-M329 HydrophobicContact CB-SD 4.35Å; P35-E340 HydrophobicContact CB-CG 4.25Å
36	F	97.8	Very high	97.6	Very high	22 Å²	22	28.6 Å²	28.6	10%	0.096	14%	0.141	C	C	.	.			trans	-79.2	70.4	178.6	-50.7	-32.4	0	0	0	111.4	T33 W34 N38 A39 T40 C64 C69 D70 I207	T33-F36 WeakPolarHBondContact O-CD2 3.4Å; W34-F36 HydrophobicContact CB-CD1 4.06Å; W34-F36 HydrophobicContact CB-CD2 3.95Å; W34-F36 HydrophobicContact CB-CE1 3.67Å; W34-F36 HydrophobicContact CB-CE2 3.59Å; W34-F36 HydrophobicContact CB-CG 4.18Å; W34-F36 HydrophobicContact CB-CZ 3.42Å; W34-F36 VanDerWaalsContact CB-CZ 3.42Å; W34-F36 AromaticContact CD1-CE2 3.84Å; W34-F36 AromaticContact CD1-CZ 3.93Å; W34-F36 HydrophobicContact CG-CE1 4.47Å; W34-F36 HydrophobicContact CG-CE2 4.05Å; W34-F36 AromaticContact CG-CZ 3.86Å; W34-F36 HydrophobicContact CG-CZ 3.86Å; W34-F36 PolarHBondContact O-N 3Å; F36-N38 VanDerWaalsContact C-N 3.31Å; F36-N38 PolarHBondContact O-N 2.94Å; F36-A39 HydrophobicContact CB-CB 4.1Å; F36-A39 WeakPolarHBondContact O-CB 3.41Å; F36-A39 PolarHBondContact O-N 3.29Å; F36-A39 VanDerWaalsContact O-N 3.14Å; F36-T40 PolarHBondContact O-N 3.05Å; F36-T40 PolarHBondContact O-OG1 3.06Å; F36-C64 WeakPolarHBondContact CD2-SG 3.38Å; F36-C69 HydrophobicContact CD1-CB 3.78Å; F36-C69 HydrophobicContact CD2-CB 4.09Å; F36-C69 HydrophobicContact CE1-CB 3.67Å; F36-C69 HydrophobicContact CE2-CB 3.96Å; F36-C69 HydrophobicContact CG-CB 4Å; F36-C69 HydrophobicContact CZ-CB 3.75Å; F36-D70 HydrophobicContact CE1-CB 4.41Å; F36-D70 VanDerWaalsContact CE1-OD2 3.3Å; F36-D70 WeakPolarHBondContact CE1-OD2 3.42Å; F36-D70 WeakPolarHBondContact CZ-OD2 3.49Å; F36-I207 HydrophobicContact CD2-CB 4.07Å; F36-I207 HydrophobicContact CD2-CD1 4.14Å; F36-I207 HydrophobicContact CD2-CG1 4.19Å; F36-I207 HydrophobicContact CE2-CB 4.08Å
37	K	98	Very high	98.1	Very high	78 Å²	78	27.7 Å²	27.7	34%	0.339	13%	0.134	S	C	.	.	H	α-helix	trans	-53.5	-43.6	-173.4	-173.8	-174.8	-178.5	-163.1	0	113.7	P35 A39 T40 E41 M329 P338	P35-K37 VanDerWaalsContact C-N 3.26Å; P35-K37 PolarHBondContact O-N 2.99Å; K37-A39 VanDerWaalsContact C-N 3.29Å; K37-A39 PolarHBondContact O-N 3.27Å; K37-T40 WeakPolarHBondContact O-CB 3.38Å; K37-T40 PolarHBondContact O-N 3.02Å; K37-T40 VanDerWaalsContact O-N 3.17Å; K37-T40 PolarHBondContact O-OG1 3.08Å; K37-E41 WeakPolarHBondContact CE-OE1 3.35Å; K37-E41 IonicContact NZ-OE1 3.74Å; K37-E41 PolarHBondContact O-N 2.6Å; K37-M329 HydrophobicContact CB-CE 4.05Å; K37-M329 HydrophobicContact CG-CE 4.01Å; K37-P338 HydrophobicContact CG-CB 4.18Å; K37-P338 HydrophobicContact CG-CG 4.08Å
38	N	98.6	Very high	98.3	Very high	67 Å²	67	29.1 Å²	29.1	36%	0.358	15%	0.153	S	C	.	.	H	α-helix	trans	-66.2	-32.3	-176.4	-68.1	-5.4	0	0	0	112.2	F36 E41 A42 M63 E67	F36-N38 VanDerWaalsContact C-N 3.31Å; F36-N38 PolarHBondContact O-N 2.94Å; N38-E41 PolarHBondContact O-N 3.41Å; N38-A42 WeakPolarHBondContact O-CB 3.5Å; N38-A42 PolarHBondContact O-N 2.77Å; N38-M63 HydrophobicContact CB-CG 4.2Å; N38-E67 WeakPolarHBondContact CB-OE1 3.34Å; N38-E67 WeakPolarHBondContact CB-OE2 3.47Å; N38-E67 PolarHBondContact ND2-OE1 3.23Å; N38-E67 PolarHBondContact ND2-OE2 2.92Å
39	A	98.6	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-45.4	172.6	0	0	0	0	0	111.2	F36 K37 E41 A42 A43 G60 C64 I207 M209	F36-A39 HydrophobicContact CB-CB 4.1Å; F36-A39 WeakPolarHBondContact O-CB 3.41Å; F36-A39 PolarHBondContact O-N 3.29Å; F36-A39 VanDerWaalsContact O-N 3.14Å; K37-A39 VanDerWaalsContact C-N 3.29Å; K37-A39 PolarHBondContact O-N 3.27Å; A39-E41 PolarHBondContact O-N 2.74Å; A39-A42 PolarHBondContact O-N 2.97Å; A39-A43 PolarHBondContact O-N 2.92Å; A39-G60 VanDerWaalsContact CB-O 3.3Å; A39-G60 WeakPolarHBondContact CB-O 3.43Å; A39-G60 VanDerWaalsContact O-CA 3.29Å; A39-G60 WeakPolarHBondContact O-CA 3.39Å; A39-C64 HydrophobicContact CB-CB 4.14Å; A39-I207 HydrophobicContact CB-CD1 3.5Å; A39-M209 HydrophobicContact CB-CE 4.16Å
40	T	98.7	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-41.1	175.2	-27.4	0	0	0	0	112	V30 N32 F36 K37 W44 M329 P338	V30-T40 HydrophobicContact CB-CG2 4.23Å; V30-T40 HydrophobicContact CG1-CG2 3.72Å; N32-T40 PolarHBondContact OD1-OG1 3.17Å; F36-T40 PolarHBondContact O-N 3.05Å; F36-T40 PolarHBondContact O-OG1 3.06Å; K37-T40 WeakPolarHBondContact O-CB 3.38Å; K37-T40 PolarHBondContact O-N 3.02Å; K37-T40 VanDerWaalsContact O-N 3.17Å; K37-T40 PolarHBondContact O-OG1 3.08Å; T40-W44 WeakPolarHBondContact O-CB 3.36Å; T40-W44 PolarHBondContact O-N 3.24Å; T40-M329 HydrophobicContact CG2-CB 4.18Å; T40-M329 WeakPolarHBondContact OG1-CB 3.42Å; T40-P338 HydrophobicContact CG2-CB 3.98Å
41	E	98.4	Very high	98.2	Very high	37 Å²	37	37 Å²	37	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-42.5	176.3	-68.4	-170.5	-179	0	0	112	K37 N38 A39 W44 R45 P338	K37-E41 WeakPolarHBondContact CE-OE1 3.35Å; K37-E41 IonicContact NZ-OE1 3.74Å; K37-E41 PolarHBondContact O-N 2.6Å; N38-E41 PolarHBondContact O-N 3.41Å; A39-E41 PolarHBondContact O-N 2.74Å; E41-W44 PolarHBondContact O-N 3.13Å; E41-R45 WeakPolarHBondContact O-CB 3.43Å; E41-R45 VanDerWaalsContact O-CG 3.28Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 2.98Å; E41-R45 IonicContact OE2-CZ 2.67Å; E41-R45 IonicContact OE2-NH2 3.55Å; E41-R45 PolarHBondContact OE2-NH2 2.85Å; E41-P338 HydrophobicContact CB-CG 4.37Å; E41-P338 HydrophobicContact CG-CG 3.29Å
42	A	98.8	Very high	98.2	Very high	5 Å²	5	39 Å²	39	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-42.9	179.7	0	0	0	0	0	111.9	N38 A39 R45 A46 S59 M63	N38-A42 WeakPolarHBondContact O-CB 3.5Å; N38-A42 PolarHBondContact O-N 2.77Å; A39-A42 PolarHBondContact O-N 2.97Å; A42-R45 PolarHBondContact O-N 3.03Å; A42-A46 PolarHBondContact O-N 3.36Å; A42-A46 VanDerWaalsContact O-N 3.13Å; A42-S59 PolarHBondContact O-OG 2.98Å; A42-M63 HydrophobicContact CB-CB 3.75Å; A42-M63 HydrophobicContact CB-CE 3.93Å; A42-M63 HydrophobicContact CB-CG 4.04Å
43	A	98.8	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-46.7	173.1	0	0	0	0	0	111.8	V30 A39 R45 A46 L47 A56 M209	V30-A43 HydrophobicContact CG1-CB 3.7Å; V30-A43 HydrophobicContact CG2-CB 4.36Å; A39-A43 PolarHBondContact O-N 2.92Å; A43-R45 PolarHBondContact O-N 2.77Å; A43-A46 WeakPolarHBondContact O-CB 3.37Å; A43-A46 PolarHBondContact O-N 2.75Å; A43-L47 PolarHBondContact O-N 3.04Å; A43-A56 WeakPolarHBondContact CA-O 3.4Å; A43-A56 HydrophobicContact CB-CB 4.19Å; A43-A56 WeakPolarHBondContact CB-O 3.5Å; A43-A56 WeakPolarHBondContact O-CB 3.47Å; A43-M209 HydrophobicContact CB-CE 4.13Å; A43-M209 HydrophobicContact CB-SD 3.63Å
44	W	98.5	Very high	98.2	Very high	41 Å²	41	40 Å²	40	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-41.7	178	-171.7	-93.6	0	0	0	112.8	P28 V30 T40 E41 A46 L47 A48 Y331	P28-W44 HydrophobicContact CB-CZ3 4.38Å; P28-W44 HydrophobicContact CG-CH2 3.66Å; P28-W44 HydrophobicContact CG-CZ2 4.39Å; P28-W44 HydrophobicContact CG-CZ3 3.82Å; P28-W44 WeakPolarHBondContact O-CZ3 3.29Å; V30-W44 HydrophobicContact CG2-CE3 3.93Å; T40-W44 WeakPolarHBondContact O-CB 3.36Å; T40-W44 PolarHBondContact O-N 3.24Å; E41-W44 PolarHBondContact O-N 3.13Å; W44-A46 VanDerWaalsContact C-N 3.3Å; W44-A46 PolarHBondContact O-N 2.84Å; W44-L47 PolarHBondContact O-N 3.3Å; W44-A48 WeakPolarHBondContact O-CB 3.26Å; W44-A48 PolarHBondContact O-N 3.06Å; W44-Y331 HydrophobicContact CB-CD1 3.44Å; W44-Y331 VanDerWaalsContact CB-CD1 3.44Å; W44-Y331 HydrophobicContact CB-CE1 3.65Å; W44-Y331 HydrophobicContact CB-CG 4.32Å; W44-Y331 AromaticContact CD1-CD1 3.96Å; W44-Y331 AromaticContact CD1-CE1 3.34Å; W44-Y331 AromaticContact CD1-CZ 3.6Å; W44-Y331 AromaticContact CD2-CD1 3.6Å; W44-Y331 HydrophobicContact CD2-CD1 3.6Å; W44-Y331 AromaticContact CD2-CD2 3.95Å; W44-Y331 HydrophobicContact CD2-CD2 3.95Å; W44-Y331 AromaticContact CD2-CE1 3.71Å; W44-Y331 HydrophobicContact CD2-CE1 3.71Å; W44-Y331 HydrophobicContact CD2-CE2 4.02Å; W44-Y331 AromaticContact CD2-CG 3.73Å; W44-Y331 HydrophobicContact CD2-CG 3.73Å; W44-Y331 AromaticContact CD2-CZ 3.91Å; W44-Y331 AromaticContact CE2-CE2 3.8Å; W44-Y331 AromaticContact CE2-CZ 3.77Å; W44-Y331 AromaticContact CE3-CD1 3.96Å; W44-Y331 HydrophobicContact CE3-CD1 3.96Å; W44-Y331 AromaticContact CE3-CD2 3.97Å; W44-Y331 HydrophobicContact CE3-CD2 3.97Å; W44-Y331 HydrophobicContact CE3-CE1 4.48Å; W44-Y331 HydrophobicContact CE3-CE2 4.47Å; W44-Y331 AromaticContact CE3-CG 3.67Å; W44-Y331 HydrophobicContact CE3-CG 3.67Å; W44-Y331 AromaticContact CG-CD1 3.37Å; W44-Y331 HydrophobicContact CG-CD1 3.37Å; W44-Y331 AromaticContact CG-CE1 3.26Å; W44-Y331 HydrophobicContact CG-CE1 3.26Å; W44-Y331 HydrophobicContact CG-CE2 4.4Å; W44-Y331 HydrophobicContact CG-CG 4.03Å; W44-Y331 AromaticContact CG-CZ 3.82Å; W44-Y331 HydrophobicContact CH2-CD2 4.38Å; W44-Y331 HydrophobicContact CZ2-CD2 4.33Å; W44-Y331 HydrophobicContact CZ2-CE2 4.1Å; W44-Y331 HydrophobicContact CZ3-CD2 4.19Å; W44-Y331 HydrophobicContact CZ3-CG 4.28Å; W44-Y331 WeakPolarHBondContact CZ3-O 3Å; W44-Y331 AromaticContact NE1-CE1 3.8Å; W44-Y331 AromaticContact NE1-CZ 3.54Å
45	R	98.4	Very high	98.3	Very high	143 Å²	143	41.2 Å²	41.2	54%	0.54	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-38.4	176.1	-76.7	176.1	-172	140.9	14.3	112	E41 A42 A43 A48 S49	E41-R45 WeakPolarHBondContact O-CB 3.43Å; E41-R45 VanDerWaalsContact O-CG 3.28Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 2.98Å; E41-R45 IonicContact OE2-CZ 2.67Å; E41-R45 IonicContact OE2-NH2 3.55Å; E41-R45 PolarHBondContact OE2-NH2 2.85Å; A42-R45 PolarHBondContact O-N 3.03Å; A43-R45 PolarHBondContact O-N 2.77Å; R45-A48 PolarHBondContact O-N 3.33Å; R45-S49 WeakPolarHBondContact O-CB 3.42Å; R45-S49 PolarHBondContact O-N 3.41Å; R45-S49 PolarHBondContact O-OG 3.49Å
46	A	98.6	Very high	98.4	Very high	19 Å²	19	38.1 Å²	38.1	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-46.2	175	0	0	0	0	0	111.1	A42 A43 W44 S49 G51 A56	A42-A46 PolarHBondContact O-N 3.36Å; A42-A46 VanDerWaalsContact O-N 3.13Å; A43-A46 WeakPolarHBondContact O-CB 3.37Å; A43-A46 PolarHBondContact O-N 2.75Å; W44-A46 VanDerWaalsContact C-N 3.3Å; W44-A46 PolarHBondContact O-N 2.84Å; A46-S49 PolarHBondContact O-N 3.12Å; A46-G51 WeakPolarHBondContact O-CA 3.45Å; A46-G51 PolarHBondContact O-N 3.42Å; A46-A56 HydrophobicContact CB-CB 4.3Å
47	L	98.2	Very high	98.4	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-45.4	175.2	-60.3	-175.4	0	0	0	112.5	P28 V30 A43 W44 S49 G50 S52 A56 V211	P28-L47 HydrophobicContact CB-CD1 3.73Å; P28-L47 HydrophobicContact CG-CD1 4.23Å; V30-L47 HydrophobicContact CG2-CD1 3.84Å; A43-L47 PolarHBondContact O-N 3.04Å; W44-L47 PolarHBondContact O-N 3.3Å; L47-S49 PolarHBondContact O-N 2.99Å; L47-G50 PolarHBondContact O-N 3.17Å; L47-S52 WeakPolarHBondContact CD2-O 3.42Å; L47-A56 HydrophobicContact CD1-CB 4.34Å; L47-A56 HydrophobicContact CD2-CB 3.46Å; L47-A56 VanDerWaalsContact CD2-CB 3.46Å; L47-A56 HydrophobicContact CG-CB 3.64Å; L47-V211 HydrophobicContact CD1-CG1 3.84Å; L47-V211 HydrophobicContact CD2-CG1 4.19Å; L47-V211 HydrophobicContact CG-CG1 4.47Å
48	A	96.8	Very high	98.5	Very high	77 Å²	77	35.4 Å²	35.4	64%	0.636	22%	0.218	S	C	*	.	H	α-helix	trans	-62.6	-28.5	179.7	0	0	0	0	0	112.4	W44 R45 G50	W44-A48 WeakPolarHBondContact O-CB 3.26Å; W44-A48 PolarHBondContact O-N 3.06Å; R45-A48 PolarHBondContact O-N 3.33Å; A48-G50 PolarHBondContact O-N 2.93Å
49	S	97.7	Very high	98.5	Very high	107 Å²	107	34.2 Å²	34.2	75%	0.748	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	4.4	176	-53.2	0	0	0	0	113.3	R45 A46 L47	R45-S49 WeakPolarHBondContact O-CB 3.42Å; R45-S49 PolarHBondContact O-N 3.41Å; R45-S49 PolarHBondContact O-OG 3.49Å; A46-S49 PolarHBondContact O-N 3.12Å; L47-S49 PolarHBondContact O-N 2.99Å
50	G	97.8	Very high	98.5	Very high	65 Å²	65	34.1 Å²	34.1	67%	0.67	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	10.5	178.9	0	0	0	0	0	114.9	L47 A48	L47-G50 PolarHBondContact O-N 3.17Å; A48-G50 PolarHBondContact O-N 2.93Å
51	G	98.4	Very high	98.5	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	22%	0.215	C	C	.	.			trans	-70.1	163.5	175.2	0	0	0	0	0	113.8	A46	A46-G51 WeakPolarHBondContact O-CA 3.45Å; A46-G51 PolarHBondContact O-N 3.42Å
52	S	98.6	Very high	98.5	Very high	43 Å²	43	33.1 Å²	33.1	30%	0.301	21%	0.213	S	C	.	.			trans	-77.1	173.4	173.9	67.8	0	0	0	0	112.7	L47 L54 D55 A56	L47-S52 WeakPolarHBondContact CD2-O 3.42Å; S52-L54 VanDerWaalsContact C-N 3.28Å; S52-L54 PolarHBondContact O-N 2.88Å; S52-L54 PolarHBondContact OG-N 3.32Å; S52-D55 WeakPolarHBondContact CB-OD2 3.33Å; S52-D55 PolarHBondContact N-OD2 3.01Å; S52-D55 PolarHBondContact O-N 3.44Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.13Å; S52-D55 PolarHBondContact OG-OD2 3Å; S52-A56 PolarHBondContact O-N 3.17Å
53	A	98.6	Very high	98.5	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-37.6	171.4	0	0	0	0	0	111.9	A56 V57 V211 H213 A219	A53-A56 PolarHBondContact O-N 2.67Å; A53-V57 WeakPolarHBondContact O-CG2 3.43Å; A53-V57 PolarHBondContact O-N 2.98Å; A53-V211 HydrophobicContact CB-CB 4.38Å; A53-V211 HydrophobicContact CB-CG1 4.03Å; A53-H213 HydrophobicContact CB-CB 4.25Å; A53-A219 HydrophobicContact CB-CB 3.62Å
54	L	98.6	Very high	98.5	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-44.2	174.6	-75	173.4	0	0	0	111.9	S52 A56 V57 E58 I91 E93 L119 A219	S52-L54 VanDerWaalsContact C-N 3.28Å; S52-L54 PolarHBondContact O-N 2.88Å; S52-L54 PolarHBondContact OG-N 3.32Å; L54-A56 PolarHBondContact O-N 3.32Å; L54-V57 PolarHBondContact O-N 3.35Å; L54-E58 PolarHBondContact O-N 3.45Å; L54-I91 HydrophobicContact CD2-CD1 3.74Å; L54-I91 HydrophobicContact CD2-CG1 3.66Å; L54-E93 HydrophobicContact CD1-CB 4.05Å; L54-E93 HydrophobicContact CD1-CG 4.14Å; L54-E93 HydrophobicContact CD2-CB 4.11Å; L54-E93 HydrophobicContact CG-CB 4.27Å; L54-E93 HydrophobicContact CG-CG 4.39Å; L54-L119 HydrophobicContact CD2-CD1 4.47Å; L54-A219 HydrophobicContact CD2-CB 4.02Å; L54-A219 HydrophobicContact CG-CB 4.29Å
55	D	98.9	Very high	98.5	Very high	52 Å²	52	33.8 Å²	33.8	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-38	177	-59.9	-46.9	0	0	0	111.9	S52 S59 R116	S52-D55 WeakPolarHBondContact CB-OD2 3.33Å; S52-D55 PolarHBondContact N-OD2 3.01Å; S52-D55 PolarHBondContact O-N 3.44Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.13Å; S52-D55 PolarHBondContact OG-OD2 3Å; D55-S59 WeakPolarHBondContact O-CB 3.19Å; D55-S59 PolarHBondContact O-N 2.98Å; D55-R116 IonicContact OD1-CZ 2.68Å; D55-R116 IonicContact OD1-NH1 2.82Å; D55-R116 PolarHBondContact OD1-NH1 2.81Å; D55-R116 IonicContact OD1-NH2 3.68Å; D55-R116 PolarHBondContact OD1-NH2 2.91Å
56	A	98.9	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.1	-43.3	177.4	0	0	0	0	0	113	A43 A46 L47 S52 A53 L54 S59 G60 V211	A43-A56 WeakPolarHBondContact CA-O 3.4Å; A43-A56 HydrophobicContact CB-CB 4.19Å; A43-A56 WeakPolarHBondContact CB-O 3.5Å; A43-A56 WeakPolarHBondContact O-CB 3.47Å; A46-A56 HydrophobicContact CB-CB 4.3Å; L47-A56 HydrophobicContact CD1-CB 4.34Å; L47-A56 HydrophobicContact CD2-CB 3.46Å; L47-A56 VanDerWaalsContact CD2-CB 3.46Å; L47-A56 HydrophobicContact CG-CB 3.64Å; S52-A56 PolarHBondContact O-N 3.17Å; A53-A56 PolarHBondContact O-N 2.67Å; L54-A56 PolarHBondContact O-N 3.32Å; A56-S59 PolarHBondContact O-N 3.32Å; A56-G60 PolarHBondContact O-N 3.17Å; A56-V211 HydrophobicContact CB-CG1 3.98Å; A56-V211 HydrophobicContact CB-CG2 4Å
57	V	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-48.6	175.7	171.7	0	0	0	0	110.7	A53 L54 G60 C61 I91 M209 V211 A219	A53-V57 WeakPolarHBondContact O-CG2 3.43Å; A53-V57 PolarHBondContact O-N 2.98Å; L54-V57 PolarHBondContact O-N 3.35Å; V57-G60 PolarHBondContact O-N 3.31Å; V57-C61 WeakPolarHBondContact O-CB 3.45Å; V57-C61 PolarHBondContact O-N 3.26Å; V57-I91 HydrophobicContact CB-CD1 3.99Å; V57-I91 HydrophobicContact CB-CG1 4.36Å; V57-I91 HydrophobicContact CG1-CD1 3.79Å; V57-I91 HydrophobicContact CG1-CG1 3.83Å; V57-M209 HydrophobicContact CG2-CG 4.38Å; V57-V211 HydrophobicContact CG2-CB 4.02Å; V57-V211 HydrophobicContact CG2-CG2 3.62Å; V57-A219 HydrophobicContact CG2-CB 3.82Å
58	E	98.9	Very high	98.3	Very high	42 Å²	42	37.6 Å²	37.6	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-51.8	177.5	-177	-173	-158	0	0	111.1	L54 G60 C61 A62 I91 I112 R116	L54-E58 PolarHBondContact O-N 3.45Å; E58-G60 VanDerWaalsContact C-N 3.33Å; E58-G60 PolarHBondContact O-N 2.95Å; E58-C61 PolarHBondContact O-N 3.03Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.85Å; E58-I91 HydrophobicContact CB-CD1 4.33Å; E58-I112 HydrophobicContact CG-CG2 4.34Å; E58-R116 WeakPolarHBondContact OE2-CD 3.48Å; E58-R116 IonicContact OE2-CZ 2.72Å; E58-R116 IonicContact OE2-NE 2.78Å; E58-R116 IonicContact OE2-NH1 3.91Å; E58-R116 PolarHBondContact OE2-NH1 3.08Å
59	S	98.9	Very high	98.2	Very high	42 Å²	42	34.4 Å²	34.4	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-44.4	-179.2	179.4	0	0	0	0	112.4	A42 D55 A56 M63	A42-S59 PolarHBondContact O-OG 2.98Å; D55-S59 WeakPolarHBondContact O-CB 3.19Å; D55-S59 PolarHBondContact O-N 2.98Å; A56-S59 PolarHBondContact O-N 3.32Å; S59-M63 WeakPolarHBondContact O-CB 3.34Å; S59-M63 PolarHBondContact O-N 3.31Å
60	G	98.8	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.9	-48	-178.8	0	0	0	0	0	113.6	A39 A56 V57 E58 M63 C64	A39-G60 VanDerWaalsContact CB-O 3.3Å; A39-G60 WeakPolarHBondContact CB-O 3.43Å; A39-G60 VanDerWaalsContact O-CA 3.29Å; A39-G60 WeakPolarHBondContact O-CA 3.39Å; A56-G60 PolarHBondContact O-N 3.17Å; V57-G60 PolarHBondContact O-N 3.31Å; E58-G60 VanDerWaalsContact C-N 3.33Å; E58-G60 PolarHBondContact O-N 2.95Å; G60-M63 WeakPolarHBondContact O-CB 3.49Å; G60-M63 PolarHBondContact O-N 3.23Å; G60-C64 PolarHBondContact O-N 3.39Å
61	C	98.8	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-42.2	176.1	-72.5	0	0	0	0	111.8	V57 E58 M63 C64 E65 I112	V57-C61 WeakPolarHBondContact O-CB 3.45Å; V57-C61 PolarHBondContact O-N 3.26Å; E58-C61 PolarHBondContact O-N 3.03Å; C61-M63 VanDerWaalsContact C-N 3.31Å; C61-M63 PolarHBondContact O-N 2.87Å; C61-C64 WeakPolarHBondContact O-CB 3.47Å; C61-C64 PolarHBondContact O-N 3.2Å; C61-E65 WeakPolarHBondContact O-CG 3.17Å; C61-E65 PolarHBondContact O-N 2.86Å; C61-I112 HydrophobicContact CB-CB 3.92Å; C61-I112 HydrophobicContact CB-CD1 4.32Å; C61-I112 HydrophobicContact CB-CG1 3.77Å; C61-I112 HydrophobicContact CB-CG2 3.81Å
62	A	98.8	Very high	97.3	Very high	15 Å²	15	31.4 Å²	31.4	12%	0.124	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-33.4	179.3	0	0	0	0	0	112.5	E58 C64 E65 T66 I112	E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.85Å; A62-C64 VanDerWaalsContact C-N 3.29Å; A62-C64 PolarHBondContact O-N 3.13Å; A62-E65 PolarHBondContact O-N 3.26Å; A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 3.31Å; A62-T66 PolarHBondContact O-OG1 3.41Å; A62-I112 HydrophobicContact CB-CG2 3.86Å
63	M	98.8	Very high	97.2	Very high	59 Å²	59	29.4 Å²	29.4	29%	0.291	17%	0.168	S	C	.	.	H	α-helix	trans	-58.7	-45.3	170.8	-179.2	60.1	70.4	0	0	110.6	N38 A42 S59 G60 C61 T66 E67	N38-M63 HydrophobicContact CB-CG 4.2Å; A42-M63 HydrophobicContact CB-CB 3.75Å; A42-M63 HydrophobicContact CB-CE 3.93Å; A42-M63 HydrophobicContact CB-CG 4.04Å; S59-M63 WeakPolarHBondContact O-CB 3.34Å; S59-M63 PolarHBondContact O-N 3.31Å; G60-M63 WeakPolarHBondContact O-CB 3.49Å; G60-M63 PolarHBondContact O-N 3.23Å; C61-M63 VanDerWaalsContact C-N 3.31Å; C61-M63 PolarHBondContact O-N 2.87Å; M63-T66 WeakPolarHBondContact O-CB 3.43Å; M63-T66 PolarHBondContact O-N 3.32Å; M63-E67 WeakPolarHBondContact O-CB 3.04Å; M63-E67 WeakPolarHBondContact O-CG 3.43Å; M63-E67 PolarHBondContact O-N 3.25Å; M63-E67 HydrophobicContact SD-CG 4.11Å
64	C	98	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.2	-35.7	-178.9	-160.7	0	0	0	0	113.1	F36 A39 G60 C61 A62 T66 E67 Q68 C69 V73 I207	F36-C64 WeakPolarHBondContact CD2-SG 3.38Å; A39-C64 HydrophobicContact CB-CB 4.14Å; G60-C64 PolarHBondContact O-N 3.39Å; C61-C64 WeakPolarHBondContact O-CB 3.47Å; C61-C64 PolarHBondContact O-N 3.2Å; A62-C64 VanDerWaalsContact C-N 3.29Å; A62-C64 PolarHBondContact O-N 3.13Å; C64-T66 VanDerWaalsContact C-N 3.29Å; C64-T66 PolarHBondContact O-N 2.74Å; C64-E67 PolarHBondContact O-N 3.22Å; C64-Q68 PolarHBondContact O-N 3.44Å; C64-C69 WeakPolarHBondContact CA-SG 3.36Å; C64-C69 HydrophobicContact CB-CB 4.3Å; C64-C69 WeakPolarHBondContact CB-SG 3.34Å; C64-C69 PolarHBondContact O-N 2.68Å; C64-C69 VanDerWaalsContact O-N 3.14Å; C64-C69 WeakPolarHBondContact SG-CB 3.28Å; C64-C69 CovalentContact SG-SG 2.03Å; C64-C69 PolarHBondContact SG-SG 2.9Å; C64-V73 HydrophobicContact CB-CG1 4.16Å; C64-I207 HydrophobicContact CB-CB 4.41Å; C64-I207 HydrophobicContact CB-CD1 3.54Å; C64-I207 HydrophobicContact CB-CG2 4.12Å
65	E	98.6	Very high	97	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-37.2	170.1	-69.3	172.7	169.5	0	0	112.3	C61 A62 V73 N110 A111 I112 S223	C61-E65 WeakPolarHBondContact O-CG 3.17Å; C61-E65 PolarHBondContact O-N 2.86Å; A62-E65 PolarHBondContact O-N 3.26Å; E65-V73 HydrophobicContact CB-CG1 4.49Å; E65-V73 HydrophobicContact CG-CG1 3.85Å; E65-N110 VanDerWaalsContact OE2-CA 3.24Å; E65-N110 WeakPolarHBondContact OE2-CA 3.4Å; E65-N110 PolarHBondContact OE2-OD1 2.84Å; E65-A111 WeakPolarHBondContact OE1-CB 3.37Å; E65-A111 PolarHBondContact OE1-N 2.85Å; E65-A111 PolarHBondContact OE2-N 2.84Å; E65-I112 PolarHBondContact OE1-N 3.06Å; E65-S223 WeakPolarHBondContact CG-OG 3.42Å; E65-S223 VanDerWaalsContact OE1-CB 3.3Å; E65-S223 WeakPolarHBondContact OE1-CB 3.16Å; E65-S223 PolarHBondContact OE1-OG 3.14Å
66	T	98.3	Very high	96.6	Very high	100 Å²	100	28.3 Å²	28.3	61%	0.613	16%	0.161	S	C	*	.	H	α-helix	trans	-72.9	-42.7	178.6	-59.3	0	0	0	0	111.8	A62 M63 C64 Q68	A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 3.31Å; A62-T66 PolarHBondContact O-OG1 3.41Å; M63-T66 WeakPolarHBondContact O-CB 3.43Å; M63-T66 PolarHBondContact O-N 3.32Å; C64-T66 VanDerWaalsContact C-N 3.29Å; C64-T66 PolarHBondContact O-N 2.74Å; T66-Q68 PolarHBondContact O-N 2.6Å
67	E	97.4	Very high	96	Very high	87 Å²	87	28.5 Å²	28.5	41%	0.407	16%	0.163	S	C	.	.	H	α-helix	trans	-78.9	-6.5	-180	-69.7	-171.1	161.8	0	0	113.5	N38 M63 C64 C69	N38-E67 WeakPolarHBondContact CB-OE1 3.34Å; N38-E67 WeakPolarHBondContact CB-OE2 3.47Å; N38-E67 PolarHBondContact ND2-OE1 3.23Å; N38-E67 PolarHBondContact ND2-OE2 2.92Å; M63-E67 WeakPolarHBondContact O-CB 3.04Å; M63-E67 WeakPolarHBondContact O-CG 3.43Å; M63-E67 PolarHBondContact O-N 3.25Å; M63-E67 HydrophobicContact SD-CG 4.11Å; C64-E67 PolarHBondContact O-N 3.22Å; E67-C69 VanDerWaalsContact C-N 3.28Å; E67-C69 PolarHBondContact O-N 3.09Å
68	Q	96.2	Very high	95.7	Very high	64 Å²	64	28.7 Å²	28.7	30%	0.299	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	47.6	-175.8	-49	173.1	-76.7	0	0	110.9	C64 T66 D70 G71 V73 F75	C64-Q68 PolarHBondContact O-N 3.44Å; T66-Q68 PolarHBondContact O-N 2.6Å; Q68-D70 PolarHBondContact O-N 2.87Å; Q68-G71 PolarHBondContact O-N 2.92Å; Q68-V73 VanDerWaalsContact CA-O 3.3Å; Q68-V73 WeakPolarHBondContact CA-O 3.45Å; Q68-F75 HydrophobicContact CG-CD1 4.13Å; Q68-F75 HydrophobicContact CG-CE1 3.76Å; Q68-F75 HydrophobicContact CG-CE2 4.35Å; Q68-F75 HydrophobicContact CG-CZ 3.88Å; Q68-F75 WeakPolarHBondContact CG-O 3.31Å; Q68-F75 VanDerWaalsContact NE2-CE2 3.27Å; Q68-F75 PolarHBondContact NE2-O 3.1Å
69	C	94.2	Very high	95.6	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.068	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-43	118.8	-174.2	-68.6	0	0	0	0	110.8	F36 C64 E67 G71 S72 V73	F36-C69 HydrophobicContact CD1-CB 3.78Å; F36-C69 HydrophobicContact CD2-CB 4.09Å; F36-C69 HydrophobicContact CE1-CB 3.67Å; F36-C69 HydrophobicContact CE2-CB 3.96Å; F36-C69 HydrophobicContact CG-CB 4Å; F36-C69 HydrophobicContact CZ-CB 3.75Å; C64-C69 WeakPolarHBondContact CA-SG 3.36Å; C64-C69 HydrophobicContact CB-CB 4.3Å; C64-C69 WeakPolarHBondContact CB-SG 3.34Å; C64-C69 PolarHBondContact O-N 2.68Å; C64-C69 VanDerWaalsContact O-N 3.14Å; C64-C69 WeakPolarHBondContact SG-CB 3.28Å; C64-C69 CovalentContact SG-SG 2.03Å; C64-C69 PolarHBondContact SG-SG 2.9Å; E67-C69 VanDerWaalsContact C-N 3.28Å; E67-C69 PolarHBondContact O-N 3.09Å; C69-G71 PolarHBondContact O-N 3.03Å; C69-S72 PolarHBondContact O-N 3.28Å; C69-V73 HydrophobicContact CB-CB 4.29Å; C69-V73 HydrophobicContact CB-CG2 4.32Å
70	D	90.4	Very high	95.5	Very high	90 Å²	90	24.7 Å²	24.7	48%	0.481	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	47.5	8.1	-175.5	71.5	33.6	0	0	0	117.7	F36 Q68 S72 D205	F36-D70 HydrophobicContact CE1-CB 4.41Å; F36-D70 VanDerWaalsContact CE1-OD2 3.3Å; F36-D70 WeakPolarHBondContact CE1-OD2 3.42Å; F36-D70 WeakPolarHBondContact CZ-OD2 3.49Å; Q68-D70 PolarHBondContact O-N 2.87Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 3.13Å; D70-S72 PolarHBondContact OD1-OG 3.46Å; D70-D205 VanDerWaalsContact OD2-CB 3.31Å; D70-D205 WeakPolarHBondContact OD2-CB 3.38Å
71	G	92.1	Very high	95.4	Very high	30 Å²	30	26.6 Å²	26.6	31%	0.309	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	82.4	3.2	-172.8	0	0	0	0	0	114.8	Q68 C69 G77 N225	Q68-G71 PolarHBondContact O-N 2.92Å; C69-G71 PolarHBondContact O-N 3.03Å; G71-G77 VanDerWaalsContact O-CA 3.25Å; G71-G77 WeakPolarHBondContact O-CA 3.39Å; G71-N225 PolarHBondContact O-ND2 2.92Å
72	S	92.6	Very high	95.3	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.035	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-5.6	178.9	71.6	0	0	0	0	115.1	C69 D70 D205 T224 N225	C69-S72 PolarHBondContact O-N 3.28Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 3.13Å; D70-S72 PolarHBondContact OD1-OG 3.46Å; S72-D205 WeakPolarHBondContact CB-O 3.23Å; S72-D205 WeakPolarHBondContact OG-CB 3.27Å; S72-D205 PolarHBondContact OG-O 2.74Å; S72-T224 WeakPolarHBondContact O-CA 3.4Å; S72-T224 PolarHBondContact O-OG1 3.24Å; S72-N225 VanDerWaalsContact C-CG 3.41Å; S72-N225 VanDerWaalsContact C-ND2 3.35Å; S72-N225 VanDerWaalsContact C-OD1 3.24Å; S72-N225 WeakPolarHBondContact CA-OD1 3.08Å; S72-N225 VanDerWaalsContact O-CG 3.25Å; S72-N225 PolarHBondContact O-N 3.31Å; S72-N225 PolarHBondContact O-OD1 3.42Å
73	V	96.6	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-124.9	138.8	179.9	-173.5	0	0	0	0	109.8	C64 E65 Q68 C69 I207	C64-V73 HydrophobicContact CB-CG1 4.16Å; E65-V73 HydrophobicContact CB-CG1 4.49Å; E65-V73 HydrophobicContact CG-CG1 3.85Å; Q68-V73 VanDerWaalsContact CA-O 3.3Å; Q68-V73 WeakPolarHBondContact CA-O 3.45Å; C69-V73 HydrophobicContact CB-CB 4.29Å; C69-V73 HydrophobicContact CB-CG2 4.32Å; V73-I207 HydrophobicContact CB-CG2 4.46Å; V73-I207 HydrophobicContact CG1-CG2 3.66Å; V73-I207 HydrophobicContact CG2-CB 4.17Å; V73-I207 HydrophobicContact CG2-CG2 3.92Å
74	G	96.7	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	72.2	-163.3	179.1	0	0	0	0	0	114.3	L87 N225	G74-L87 VanDerWaalsContact O-CD2 3.22Å; G74-L87 WeakPolarHBondContact O-CD2 3.36Å; G74-N225 WeakPolarHBondContact O-CB 3.43Å; G74-N225 PolarHBondContact O-ND2 2.99Å
75	F	96.3	Very high	95	Very high	40 Å²	40	31.1 Å²	31.1	18%	0.175	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	164.8	-173.6	71.9	-79.6	0	0	0	112.7	Q68 G77 K109 L146 T148	Q68-F75 HydrophobicContact CG-CD1 4.13Å; Q68-F75 HydrophobicContact CG-CE1 3.76Å; Q68-F75 HydrophobicContact CG-CE2 4.35Å; Q68-F75 HydrophobicContact CG-CZ 3.88Å; Q68-F75 WeakPolarHBondContact CG-O 3.31Å; Q68-F75 VanDerWaalsContact NE2-CE2 3.27Å; Q68-F75 PolarHBondContact NE2-O 3.1Å; F75-G77 PolarHBondContact O-N 2.8Å; F75-G77 VanDerWaalsContact O-N 3.15Å; F75-K109 HydrophobicContact CB-CG 4.17Å; F75-K109 HydrophobicContact CD1-CB 4.5Å; F75-K109 HydrophobicContact CD1-CD 3.76Å; F75-K109 HydrophobicContact CD1-CG 4Å; F75-K109 HydrophobicContact CE1-CD 4.06Å; F75-K109 HydrophobicContact CG-CD 4.1Å; F75-K109 HydrophobicContact CG-CG 4.17Å; F75-L146 HydrophobicContact CB-CB 3.89Å; F75-L146 HydrophobicContact CB-CD2 3.86Å; F75-L146 HydrophobicContact CB-CG 4.39Å; F75-T148 HydrophobicContact CD2-CG2 4.02Å; F75-T148 HydrophobicContact CE2-CG2 4.08Å
76	G	90.4	Very high	94.9	Very high	8 Å²	8	31 Å²	31	8%	0.082	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-0.9	168.5	0	0	0	0	0	116.4	L146 T148 S151	G76-L146 VanDerWaalsContact CA-O 3.29Å; G76-L146 WeakPolarHBondContact CA-O 3.35Å; G76-L146 PolarHBondContact N-O 2.91Å; G76-T148 VanDerWaalsContact CA-CG2 3.43Å; G76-T148 PolarHBondContact O-OG1 2.88Å; G76-S151 WeakPolarHBondContact O-CB 3.47Å
77	G	86.9	Confident	94.9	Very high	4 Å²	4	26.2 Å²	26.2	4%	0.041	15%	0.146	C	C	.	.	S	Bend	trans	-112.8	165.5	174.9	0	0	0	0	0	113.1	G71 F75 T85 N225	G71-G77 VanDerWaalsContact O-CA 3.25Å; G71-G77 WeakPolarHBondContact O-CA 3.39Å; F75-G77 PolarHBondContact O-N 2.8Å; F75-G77 VanDerWaalsContact O-N 3.15Å; G77-T85 WeakPolarHBondContact O-CB 3.28Å; G77-T85 WeakPolarHBondContact O-CG2 3.47Å; G77-T85 PolarHBondContact O-OG1 3.17Å; G77-N225 VanDerWaalsContact CA-ND2 3.33Å; G77-N225 WeakPolarHBondContact CA-ND2 3.37Å
78	S	92.8	Very high	95	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.028	13%	0.127	C	C	.	.			trans	33	64.2	172.7	-54.3	0	0	0	0	116.4	N225 G226 K228	S78-N225 WeakPolarHBondContact CB-OD1 3.45Å; S78-N225 PolarHBondContact OG-OD1 3.11Å; S78-N225 VanDerWaalsContact OG-OD1 3.1Å; S78-G226 VanDerWaalsContact CB-O 3.23Å; S78-G226 WeakPolarHBondContact CB-O 3.49Å; S78-G226 PolarHBondContact OG-O 3.07Å; S78-G226 VanDerWaalsContact OG-O 3.1Å; S78-K228 WeakPolarHBondContact OG-CG 3.46Å
79	P	96.4	Very high	95.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.			trans	-61.4	149.3	173.4	29.8	-35.7	0	0	0	110.3	E84 H155 F229	P79-E84 CarbonylContact C-O 3.52Å; P79-E84 WeakPolarHBondContact CA-O 3.28Å; P79-H155 HydrophobicContact CG-CB 4.22Å; P79-F229 HydrophobicContact CG-CE1 4.34Å; P79-F229 VanDerWaalsContact O-CA 3.31Å; P79-F229 WeakPolarHBondContact O-CA 3.35Å; P79-F229 PolarHBondContact O-N 2.84Å
80	D	96.8	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.			trans	-70.9	-178.7	171.5	73	8.9	0	0	0	112	L82 G83 E84 H155 K230 H232	D80-L82 PolarHBondContact O-N 3.47Å; D80-L82 VanDerWaalsContact O-N 3.14Å; D80-L82 VanDerWaalsContact OD1-CA 3.29Å; D80-L82 WeakPolarHBondContact OD1-CA 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.33Å; D80-L82 PolarHBondContact OD1-N 3.47Å; D80-G83 PolarHBondContact O-N 3.02Å; D80-G83 PolarHBondContact OD1-N 3.13Å; D80-E84 PolarHBondContact N-O 3.1Å; D80-E84 PolarHBondContact OD1-N 2.85Å; D80-H155 PolarHBondContact O-CD2 2.85Å; D80-K230 WeakPolarHBondContact CA-O 3.3Å; D80-K230 HydrophobicContact CB-CG 3.82Å; D80-K230 WeakPolarHBondContact CB-O 3.31Å; D80-H232 IonicContact OD2-CE1 3Å; D80-H232 IonicContact OD2-CG 2.68Å; D80-H232 IonicContact OD2-ND1 3.84Å; D80-H232 PolarHBondContact OD2-ND1 3.27Å
81	E	96.5	Very high	95.8	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.187	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	178.6	66.8	178.6	-170	0	0	114.4	H155 W158 W168 K230	E81-H155 PolarHBondContact O-NE2 2.81Å; E81-W158 HydrophobicContact CB-CH2 3.71Å; E81-W158 HydrophobicContact CB-CZ2 4.44Å; E81-W158 HydrophobicContact CB-CZ3 4.28Å; E81-W168 PolarHBondContact OE2-NE1 2.85Å; E81-K230 PolarHBondContact N-O 3.46Å
82	L	96	Very high	96.1	Very high	116 Å²	116	13 Å²	13	61%	0.607	7%	0.072	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.8	175.3	-57.6	-175.3	0	0	0	112.8	D80 H232	D80-L82 PolarHBondContact O-N 3.47Å; D80-L82 VanDerWaalsContact O-N 3.14Å; D80-L82 VanDerWaalsContact OD1-CA 3.29Å; D80-L82 WeakPolarHBondContact OD1-CA 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.33Å; D80-L82 PolarHBondContact OD1-N 3.47Å; L82-H232 HydrophobicContact CD1-CB 3.95Å; L82-H232 HydrophobicContact CG-CB 4.21Å
83	G	96.3	Very high	96.4	Very high	18 Å²	18	15.2 Å²	15.2	19%	0.186	8%	0.082	C	C	.	.	S	Bend	trans	90.9	7.9	177.7	0	0	0	0	0	114.1	D80 H155	D80-G83 PolarHBondContact O-N 3.02Å; D80-G83 PolarHBondContact OD1-N 3.13Å; G83-H155 VanDerWaalsContact CA-CD2 3.47Å; G83-H155 WeakPolarHBondContact CA-CD2 3.19Å; G83-H155 PolarHBondContact N-CD2 3.32Å; G83-H155 PolarHBondContact N-NE2 3.33Å
84	E	96.3	Very high	96.5	Very high	34 Å²	34	15.4 Å²	15.4	16%	0.159	8%	0.084	C	C	.	.			trans	-99.2	132.4	-178.4	-174.1	177.3	-162.9	0	0	111.8	P79 D80 T86 R106 R107 H232	P79-E84 CarbonylContact C-O 3.52Å; P79-E84 WeakPolarHBondContact CA-O 3.28Å; D80-E84 PolarHBondContact N-O 3.1Å; D80-E84 PolarHBondContact OD1-N 2.85Å; E84-T86 HydrophobicContact CG-CG2 4.07Å; E84-R106 VanDerWaalsContact CD-NH2 3.32Å; E84-R106 IonicContact OE1-CZ 3.64Å; E84-R106 IonicContact OE1-NE 3.49Å; E84-R106 PolarHBondContact OE1-NE 3.29Å; E84-R106 IonicContact OE1-NH2 3.7Å; E84-R106 PolarHBondContact OE1-NH2 3.49Å; E84-R106 IonicContact OE2-CZ 2.6Å; E84-R106 IonicContact OE2-NE 2.82Å; E84-R106 PolarHBondContact OE2-NE 2.87Å; E84-R106 IonicContact OE2-NH2 2.68Å; E84-R106 PolarHBondContact OE2-NH2 3.37Å; E84-R107 IonicContact OE1-NH1 2.74Å; E84-R107 PolarHBondContact OE1-NH1 3.43Å; E84-H232 IonicContact OE2-CE1 2.71Å
85	T	96.6	Very high	96.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.102	C	C	.	.			trans	-81.5	123.4	168.3	-63	0	0	0	0	109.3	G77 L87 L146 N225	G77-T85 WeakPolarHBondContact O-CB 3.28Å; G77-T85 WeakPolarHBondContact O-CG2 3.47Å; G77-T85 PolarHBondContact O-OG1 3.17Å; T85-L87 HydrophobicContact CG2-CD2 3.91Å; T85-L146 HydrophobicContact CG2-CB 4.26Å; T85-L146 WeakPolarHBondContact O-CD1 3.44Å; T85-N225 HydrophobicContact CG2-CB 3.98Å
86	T	97.9	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.2	173.4	71.9	0	0	0	0	110.4	E84 D104 L105 R106 N225 K230	E84-T86 HydrophobicContact CG-CG2 4.07Å; T86-D104 WeakPolarHBondContact CB-OD1 3.33Å; T86-D104 VanDerWaalsContact CG2-OD1 3.28Å; T86-D104 WeakPolarHBondContact CG2-OD1 3.43Å; T86-D104 PolarHBondContact OG1-OD1 2.8Å; T86-L105 WeakPolarHBondContact CA-O 3.42Å; T86-R106 HydrophobicContact CG2-CG 3.9Å; T86-N225 WeakPolarHBondContact O-CA 3.26Å; T86-K230 PolarHBondContact O-NZ 2.8Å; T86-K230 VanDerWaalsContact OG1-CE 3.26Å; T86-K230 WeakPolarHBondContact OG1-CE 3.11Å; T86-K230 PolarHBondContact OG1-NZ 2.82Å
87	L	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	143.6	-169.6	-50.4	-174	0	0	0	112.3	G74 T85 D104 L105 I108 A111 L146 T224 N225	G74-L87 VanDerWaalsContact O-CD2 3.22Å; G74-L87 WeakPolarHBondContact O-CD2 3.36Å; T85-L87 HydrophobicContact CG2-CD2 3.91Å; L87-D104 PolarHBondContact O-N 3.33Å; L87-L105 HydrophobicContact CB-CB 4.48Å; L87-L105 PolarHBondContact N-O 2.82Å; L87-L105 VanDerWaalsContact O-CB 3.3Å; L87-L105 WeakPolarHBondContact O-CB 3.29Å; L87-L105 PolarHBondContact O-N 3.3Å; L87-I108 VanDerWaalsContact CD1-O 3.32Å; L87-I108 WeakPolarHBondContact CD1-O 3.42Å; L87-A111 HydrophobicContact CB-CB 3.71Å; L87-A111 HydrophobicContact CD1-CB 3.96Å; L87-L146 HydrophobicContact CD1-CD1 4.16Å; L87-L146 HydrophobicContact CG-CD1 3.98Å; L87-T224 WeakPolarHBondContact CA-O 3.47Å; L87-N225 HydrophobicContact CD2-CB 3.57Å
88	D	98.8	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.2	175.8	-69.3	-21.4	0	0	0	108.8	V102 G103 D104 S223 T224 G236 P239	D88-V102 WeakPolarHBondContact CA-O 3.38Å; D88-G103 WeakPolarHBondContact OD1-CA 3.18Å; D88-D104 PolarHBondContact OD1-N 2.99Å; D88-S223 CarbonylContact O-C 3.58Å; D88-S223 WeakPolarHBondContact O-CA 3.36Å; D88-T224 HydrophobicContact CB-CG2 3.88Å; D88-T224 PolarHBondContact N-O 2.84Å; D88-T224 PolarHBondContact O-N 2.92Å; D88-G236 PolarHBondContact OD2-N 3.13Å; D88-P239 HydrophobicContact CB-CB 4.24Å; D88-P239 HydrophobicContact CB-CG 3.76Å
89	A	98.9	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.9	176.1	0	0	0	0	0	113.3	A101 V102 A111 I112 A115 T222	A89-A101 CarbonylContact O-C 3.57Å; A89-A101 VanDerWaalsContact O-CA 3.3Å; A89-A101 WeakPolarHBondContact O-CA 3.2Å; A89-V102 HydrophobicContact CB-CG2 4.15Å; A89-V102 PolarHBondContact N-O 3.06Å; A89-V102 PolarHBondContact O-N 3.02Å; A89-A111 HydrophobicContact CB-CB 3.81Å; A89-I112 HydrophobicContact CB-CB 4.45Å; A89-I112 HydrophobicContact CB-CD1 4.31Å; A89-A115 HydrophobicContact CB-CB 4.41Å; A89-T222 CarbonylContact C-O 3.59Å; A89-T222 WeakPolarHBondContact CA-O 3.47Å; A89-T222 WeakPolarHBondContact CB-O 3.5Å
90	M	98.8	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.7	166.5	65.5	125.4	-60.5	0	0	112.1	M92 V99 G100 A101 I112 G221 T222 S238 P241 A245	M90-M92 HydrophobicContact CE-CB 3.51Å; M90-V99 HydrophobicContact CE-CG1 4.27Å; M90-G100 CarbonylContact C-O 3.5Å; M90-G100 WeakPolarHBondContact CA-O 3.41Å; M90-A101 HydrophobicContact CB-CB 3.65Å; M90-I112 WeakPolarHBondContact O-CD1 3.34Å; M90-G221 CarbonylContact O-C 3.47Å; M90-G221 WeakPolarHBondContact O-CA 3.45Å; M90-T222 VanDerWaalsContact CG-OG1 3.29Å; M90-T222 WeakPolarHBondContact CG-OG1 3.42Å; M90-T222 PolarHBondContact N-O 3.39Å; M90-T222 PolarHBondContact O-N 3.14Å; M90-S238 WeakPolarHBondContact CG-O 3.4Å; M90-P241 HydrophobicContact SD-CB 4.42Å; M90-P241 HydrophobicContact SD-CG 4.47Å; M90-A245 HydrophobicContact CE-CB 4.15Å; M90-A245 HydrophobicContact SD-CB 3.91Å
91	I	98.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.8	170.9	-166.6	168.5	0	0	0	110.1	L54 V57 E58 V99 G100 I112 A115 R116 L119	L54-I91 HydrophobicContact CD2-CD1 3.74Å; L54-I91 HydrophobicContact CD2-CG1 3.66Å; V57-I91 HydrophobicContact CB-CD1 3.99Å; V57-I91 HydrophobicContact CB-CG1 4.36Å; V57-I91 HydrophobicContact CG1-CD1 3.79Å; V57-I91 HydrophobicContact CG1-CG1 3.83Å; E58-I91 HydrophobicContact CB-CD1 4.33Å; I91-V99 WeakPolarHBondContact O-CA 3.3Å; I91-G100 PolarHBondContact N-O 3.05Å; I91-G100 PolarHBondContact O-N 2.97Å; I91-I112 HydrophobicContact CB-CD1 3.97Å; I91-A115 HydrophobicContact CG2-CB 4.35Å; I91-R116 HydrophobicContact CG2-CB 4.19Å; I91-L119 HydrophobicContact CG2-CD1 4.18Å
92	M	98.9	Very high	98.1	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.4	-176.6	175.9	170.5	-166.2	0	0	111.4	M90 M97 D98 V99 A219 A220 Y246 A247	M90-M92 HydrophobicContact CE-CB 3.51Å; M92-M97 HydrophobicContact CE-CB 4.34Å; M92-M97 HydrophobicContact CE-CE 3.5Å; M92-M97 VanDerWaalsContact CE-CE 3.5Å; M92-M97 HydrophobicContact CE-SD 4.22Å; M92-D98 WeakPolarHBondContact CA-O 3.24Å; M92-V99 HydrophobicContact CB-CG2 3.96Å; M92-V99 HydrophobicContact CE-CG2 4.11Å; M92-V99 HydrophobicContact CG-CG2 3.69Å; M92-V99 HydrophobicContact SD-CG2 3.87Å; M92-A219 VanDerWaalsContact O-CA 3.28Å; M92-A219 WeakPolarHBondContact O-CA 3.14Å; M92-A219 WeakPolarHBondContact O-CB 3.22Å; M92-A220 PolarHBondContact N-O 3.09Å; M92-A220 PolarHBondContact O-N 2.87Å; M92-A220 VanDerWaalsContact O-N 3.13Å; M92-Y246 HydrophobicContact CE-CD2 4.13Å; M92-Y246 HydrophobicContact CE-CE1 4.29Å; M92-Y246 HydrophobicContact CE-CE2 3.76Å; M92-Y246 HydrophobicContact SD-CD2 3.7Å; M92-Y246 HydrophobicContact SD-CE2 3.93Å; M92-Y246 HydrophobicContact SD-CG 4.11Å; M92-A247 VanDerWaalsContact CE-O 3.31Å; M92-A247 WeakPolarHBondContact CE-O 3.04Å; M92-A247 HydrophobicContact CG-CB 4.29Å; M92-A247 PolarHBondContact SD-N 3.37Å
93	E	98.5	Very high	98.2	Very high	52 Å²	52	19.6 Å²	19.6	24%	0.243	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.2	171.2	-170	179.4	-128.2	0	0	110.9	L54 T95 T96 M97 D98	L54-E93 HydrophobicContact CD1-CB 4.05Å; L54-E93 HydrophobicContact CD1-CG 4.14Å; L54-E93 HydrophobicContact CD2-CB 4.11Å; L54-E93 HydrophobicContact CG-CB 4.27Å; L54-E93 HydrophobicContact CG-CG 4.39Å; E93-T95 VanDerWaalsContact C-N 3.3Å; E93-T95 PolarHBondContact O-N 3.29Å; E93-T96 WeakPolarHBondContact OE2-CB 3.17Å; E93-T96 WeakPolarHBondContact OE2-CG2 3.27Å; E93-T96 PolarHBondContact OE2-OG1 2.91Å; E93-M97 VanDerWaalsContact O-CA 3.26Å; E93-M97 WeakPolarHBondContact O-CA 3.43Å; E93-M97 PolarHBondContact O-N 3.13Å; E93-D98 PolarHBondContact N-O 2.9Å
94	G	98.4	Very high	98.3	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.1	-177	0	0	0	0	0	115.4	I218 D249	G94-I218 PolarHBondContact N-O 2.88Å; G94-D249 PolarHBondContact O-N 3.33Å; G94-D249 VanDerWaalsContact O-N 3.08Å
95	T	97.6	Very high	98.5	Very high	62 Å²	62	17.9 Å²	17.9	38%	0.38	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-53.3	178.9	-54.9	0	0	0	0	112.2	E93 R217 D249	E93-T95 VanDerWaalsContact C-N 3.3Å; E93-T95 PolarHBondContact O-N 3.29Å; T95-R217 VanDerWaalsContact CG2-NH1 3.27Å; T95-R217 WeakPolarHBondContact OG1-CD 3.48Å; T95-R217 PolarHBondContact OG1-NH1 2.85Å; T95-R217 VanDerWaalsContact OG1-NH1 3.09Å; T95-D249 WeakPolarHBondContact CA-OD2 3.25Å; T95-D249 WeakPolarHBondContact CB-OD2 3.5Å; T95-D249 PolarHBondContact OG1-OD2 2.92Å
96	T	97.8	Very high	98.5	Very high	66 Å²	66	20.3 Å²	20.3	41%	0.405	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-18.5	-175.2	51.3	0	0	0	0	111.5	E93 D98	E93-T96 WeakPolarHBondContact OE2-CB 3.17Å; E93-T96 WeakPolarHBondContact OE2-CG2 3.27Å; E93-T96 PolarHBondContact OE2-OG1 2.91Å; T96-D98 PolarHBondContact O-N 3.32Å; T96-D98 WeakPolarHBondContact OG1-CB 3.39Å; T96-D98 PolarHBondContact OG1-N 3.36Å; T96-D98 VanDerWaalsContact OG1-N 3.17Å; T96-D98 PolarHBondContact OG1-OD2 3.42Å
97	M	98.2	Very high	98.5	Very high	71 Å²	71	22.9 Å²	22.9	35%	0.35	12%	0.117	S	C	.	.			trans	64	17.1	-166.3	-46.9	-58.8	-71.5	0	0	112.5	M92 E93 Y246 D248	M92-M97 HydrophobicContact CE-CB 4.34Å; M92-M97 HydrophobicContact CE-CE 3.5Å; M92-M97 VanDerWaalsContact CE-CE 3.5Å; M92-M97 HydrophobicContact CE-SD 4.22Å; E93-M97 VanDerWaalsContact O-CA 3.26Å; E93-M97 WeakPolarHBondContact O-CA 3.43Å; E93-M97 PolarHBondContact O-N 3.13Å; M97-Y246 HydrophobicContact CE-CE1 4.06Å; M97-Y246 WeakPolarHBondContact CE-OH 3.38Å; M97-D248 HydrophobicContact CE-CB 4.43Å
98	D	98.6	Very high	98.5	Very high	83 Å²	83	23 Å²	23	44%	0.444	12%	0.118	S	C	.	.			trans	-69.6	141	175.8	-73	-22.7	0	0	0	110.2	M92 E93 T96 L119	M92-D98 WeakPolarHBondContact CA-O 3.24Å; E93-D98 PolarHBondContact N-O 2.9Å; T96-D98 PolarHBondContact O-N 3.32Å; T96-D98 WeakPolarHBondContact OG1-CB 3.39Å; T96-D98 PolarHBondContact OG1-N 3.36Å; T96-D98 VanDerWaalsContact OG1-N 3.17Å; T96-D98 PolarHBondContact OG1-OD2 3.42Å; D98-L119 HydrophobicContact CB-CD1 4.3Å; D98-L119 HydrophobicContact CB-CD2 4.35Å; D98-L119 HydrophobicContact CB-CG 4.09Å
99	V	98.9	Very high	98.5	Very high	19 Å²	19	26 Å²	26	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.6	-178.2	-175.1	0	0	0	0	109.4	M90 I91 M92 T125 P241	M90-V99 HydrophobicContact CE-CG1 4.27Å; I91-V99 WeakPolarHBondContact O-CA 3.3Å; M92-V99 HydrophobicContact CB-CG2 3.96Å; M92-V99 HydrophobicContact CE-CG2 4.11Å; M92-V99 HydrophobicContact CG-CG2 3.69Å; M92-V99 HydrophobicContact SD-CG2 3.87Å; V99-T125 HydrophobicContact CB-CG2 3.81Å; V99-T125 HydrophobicContact CG1-CG2 3.91Å; V99-P241 HydrophobicContact CB-CG 4.32Å; V99-P241 HydrophobicContact CG1-CB 4.09Å; V99-P241 HydrophobicContact CG1-CG 3.45Å; V99-P241 VanDerWaalsContact CG1-CG 3.45Å; V99-P241 HydrophobicContact CG2-CB 4.33Å; V99-P241 HydrophobicContact CG2-CG 4.42Å
100	G	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.6	165.9	0	0	0	0	0	110.2	M90 I91 A115 T125	M90-G100 CarbonylContact C-O 3.5Å; M90-G100 WeakPolarHBondContact CA-O 3.41Å; I91-G100 PolarHBondContact N-O 3.05Å; I91-G100 PolarHBondContact O-N 2.97Å; G100-A115 CarbonylContact C-O 3.6Å; G100-A115 VanDerWaalsContact CA-O 3.28Å; G100-A115 WeakPolarHBondContact CA-O 3.12Å; G100-T125 CarbonylContact C-O 3.46Å; G100-T125 WeakPolarHBondContact CA-O 3.34Å
101	A	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.5	-174.8	0	0	0	0	0	111.9	A89 M90 T125 L126 L127 P239	A89-A101 CarbonylContact O-C 3.57Å; A89-A101 VanDerWaalsContact O-CA 3.3Å; A89-A101 WeakPolarHBondContact O-CA 3.2Å; M90-A101 HydrophobicContact CB-CB 3.65Å; A101-T125 PolarHBondContact N-O 3.46Å; A101-L126 HydrophobicContact CB-CB 4.24Å; A101-L126 HydrophobicContact CB-CD1 3.59Å; A101-L126 HydrophobicContact CB-CG 4.48Å; A101-L126 WeakPolarHBondContact O-CA 3.17Å; A101-L127 PolarHBondContact O-N 3.12Å; A101-L127 VanDerWaalsContact O-N 3.1Å; A101-P239 HydrophobicContact CB-CB 4.49Å; A101-P239 VanDerWaalsContact CB-O 3.31Å; A101-P239 WeakPolarHBondContact CB-O 3.37Å
102	V	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.8	172.5	-68	0	0	0	0	110.3	D88 A89 L105 A111 V114 A115 V118 L127 A132 P239	D88-V102 WeakPolarHBondContact CA-O 3.38Å; A89-V102 HydrophobicContact CB-CG2 4.15Å; A89-V102 PolarHBondContact N-O 3.06Å; A89-V102 PolarHBondContact O-N 3.02Å; V102-L105 HydrophobicContact CB-CB 4.28Å; V102-L105 HydrophobicContact CB-CD2 4.46Å; V102-L105 HydrophobicContact CG2-CB 4.23Å; V102-L105 HydrophobicContact CG2-CD2 3.95Å; V102-A111 HydrophobicContact CG2-CB 4.33Å; V102-V114 HydrophobicContact CG1-CB 4.23Å; V102-V114 HydrophobicContact CG1-CG1 3.64Å; V102-A115 HydrophobicContact CG2-CB 4.32Å; V102-V118 HydrophobicContact CG1-CG2 4.06Å; V102-L127 VanDerWaalsContact CA-O 3.22Å; V102-L127 WeakPolarHBondContact CA-O 3.46Å; V102-A132 HydrophobicContact CG1-CB 4.34Å; V102-P239 WeakPolarHBondContact O-CB 3.38Å
103	G	98.6	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.9	175.9	0	0	0	0	0	111.2	D88 L105 L127 V128 G129	D88-G103 WeakPolarHBondContact OD1-CA 3.18Å; G103-L105 PolarHBondContact O-N 2.89Å; G103-L127 PolarHBondContact N-O 3.26Å; G103-L127 VanDerWaalsContact N-O 3.1Å; G103-V128 CarbonylContact O-C 2.98Å; G103-V128 WeakPolarHBondContact O-CA 3.14Å; G103-V128 WeakPolarHBondContact O-CB 3.37Å; G103-G129 PolarHBondContact O-N 3Å
104	D	98.3	Very high	98.5	Very high	15 Å²	15	26 Å²	26	8%	0.08	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.3	38.9	-174.3	-166.3	47.2	0	0	0	111.6	T86 L87 D88 R106 G129 V235	T86-D104 WeakPolarHBondContact CB-OD1 3.33Å; T86-D104 VanDerWaalsContact CG2-OD1 3.28Å; T86-D104 WeakPolarHBondContact CG2-OD1 3.43Å; T86-D104 PolarHBondContact OG1-OD1 2.8Å; L87-D104 PolarHBondContact O-N 3.33Å; D88-D104 PolarHBondContact OD1-N 2.99Å; D104-R106 WeakPolarHBondContact O-CG 3.35Å; D104-R106 PolarHBondContact O-N 2.89Å; D104-G129 WeakPolarHBondContact O-CA 3.29Å; D104-G129 PolarHBondContact O-N 3.47Å; D104-V235 HydrophobicContact CB-CG2 4.02Å
105	L	98.8	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.6	-179.8	-179.7	66.3	0	0	0	109.1	T86 L87 V102 G103 I108 A111 V114 A132	T86-L105 WeakPolarHBondContact CA-O 3.42Å; L87-L105 HydrophobicContact CB-CB 4.48Å; L87-L105 PolarHBondContact N-O 2.82Å; L87-L105 VanDerWaalsContact O-CB 3.3Å; L87-L105 WeakPolarHBondContact O-CB 3.29Å; L87-L105 PolarHBondContact O-N 3.3Å; V102-L105 HydrophobicContact CB-CB 4.28Å; V102-L105 HydrophobicContact CB-CD2 4.46Å; V102-L105 HydrophobicContact CG2-CB 4.23Å; V102-L105 HydrophobicContact CG2-CD2 3.95Å; G103-L105 PolarHBondContact O-N 2.89Å; L105-I108 HydrophobicContact CD1-CB 4.47Å; L105-I108 HydrophobicContact CD1-CG1 4.2Å; L105-I108 HydrophobicContact CD2-CB 3.89Å; L105-I108 HydrophobicContact CD2-CG1 4.48Å; L105-I108 HydrophobicContact CD2-CG2 4.27Å; L105-I108 HydrophobicContact CG-CB 4.15Å; L105-I108 HydrophobicContact CG-CG1 4.39Å; L105-A111 HydrophobicContact CD2-CB 3.9Å; L105-V114 HydrophobicContact CD2-CB 4.16Å; L105-V114 HydrophobicContact CD2-CG2 4.04Å; L105-A132 HydrophobicContact CD1-CB 3.68Å
106	R	98.2	Very high	98.6	Very high	53 Å²	53	24.1 Å²	24.1	20%	0.2	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.4	-176.5	-57.7	178.8	68.2	-175.4	6.8	110.2	E84 T86 D104 I108 E130 T133	E84-R106 VanDerWaalsContact CD-NH2 3.32Å; E84-R106 IonicContact OE1-CZ 3.64Å; E84-R106 IonicContact OE1-NE 3.49Å; E84-R106 PolarHBondContact OE1-NE 3.29Å; E84-R106 IonicContact OE1-NH2 3.7Å; E84-R106 PolarHBondContact OE1-NH2 3.49Å; E84-R106 IonicContact OE2-CZ 2.6Å; E84-R106 IonicContact OE2-NE 2.82Å; E84-R106 PolarHBondContact OE2-NE 2.87Å; E84-R106 IonicContact OE2-NH2 2.68Å; E84-R106 PolarHBondContact OE2-NH2 3.37Å; T86-R106 HydrophobicContact CG2-CG 3.9Å; D104-R106 WeakPolarHBondContact O-CG 3.35Å; D104-R106 PolarHBondContact O-N 2.89Å; R106-I108 VanDerWaalsContact C-N 3.27Å; R106-I108 PolarHBondContact O-N 2.94Å; R106-I108 VanDerWaalsContact O-N 3.15Å; R106-E130 VanDerWaalsContact CD-OE1 3.24Å; R106-E130 WeakPolarHBondContact CD-OE1 3.37Å; R106-E130 IonicContact CZ-OE1 2.94Å; R106-E130 IonicContact NE-OE1 3.59Å; R106-E130 PolarHBondContact NE-OE1 3.08Å; R106-E130 VanDerWaalsContact NE-OE1 3.12Å; R106-E130 IonicContact NH1-OE1 3.9Å; R106-E130 PolarHBondContact NH1-OE1 3.46Å; R106-E130 IonicContact NH2-OE1 2.79Å; R106-T133 PolarHBondContact N-OG1 3.1Å; R106-T133 VanDerWaalsContact O-CG2 3.28Å; R106-T133 WeakPolarHBondContact O-CG2 3.38Å; R106-T133 PolarHBondContact O-OG1 3.18Å
107	R	98.3	Very high	98.7	Very high	53 Å²	53	23.6 Å²	23.6	20%	0.2	11%	0.11	C	C	.	.	S	Bend	trans	58.9	26.7	166.2	-59.8	179.3	-57	-79	-3.7	116.7	E84 E130 N143 E144	E84-R107 IonicContact OE1-NH1 2.74Å; E84-R107 PolarHBondContact OE1-NH1 3.43Å; R107-E130 IonicContact CZ-OE1 3.39Å; R107-E130 VanDerWaalsContact CZ-OE1 3.25Å; R107-E130 IonicContact CZ-OE2 3.43Å; R107-E130 IonicContact NH1-OE1 3.26Å; R107-E130 PolarHBondContact NH1-OE1 3.47Å; R107-E130 IonicContact NH2-OE1 2.59Å; R107-E130 PolarHBondContact NH2-OE1 2.82Å; R107-E130 IonicContact NH2-OE2 3.07Å; R107-E130 PolarHBondContact NH2-OE2 3.17Å; R107-N143 WeakPolarHBondContact CB-OD1 3.15Å; R107-N143 WeakPolarHBondContact CD-OD1 3.44Å; R107-N143 PolarHBondContact NE-OD1 2.93Å; R107-N143 CarbonylContact O-C 3.46Å; R107-N143 VanDerWaalsContact O-CA 3.27Å; R107-N143 WeakPolarHBondContact O-CA 3.28Å; R107-E144 CarbonylContact C-O 3.59Å; R107-E144 VanDerWaalsContact C-O 3.31Å; R107-E144 WeakPolarHBondContact CA-O 3.41Å; R107-E144 WeakPolarHBondContact CB-O 3.39Å; R107-E144 PolarHBondContact O-N 2.99Å
108	I	98.6	Very high	98.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	9%	0.093	C	C	.	.			trans	-129.6	123.9	171.8	-55	-67.1	0	0	0	107.8	L87 L105 R106 V114 T133 A136 F141 V142 N143	L87-I108 VanDerWaalsContact CD1-O 3.32Å; L87-I108 WeakPolarHBondContact CD1-O 3.42Å; L105-I108 HydrophobicContact CD1-CB 4.47Å; L105-I108 HydrophobicContact CD1-CG1 4.2Å; L105-I108 HydrophobicContact CD2-CB 3.89Å; L105-I108 HydrophobicContact CD2-CG1 4.48Å; L105-I108 HydrophobicContact CD2-CG2 4.27Å; L105-I108 HydrophobicContact CG-CB 4.15Å; L105-I108 HydrophobicContact CG-CG1 4.39Å; R106-I108 VanDerWaalsContact C-N 3.27Å; R106-I108 PolarHBondContact O-N 2.94Å; R106-I108 VanDerWaalsContact O-N 3.15Å; I108-V114 HydrophobicContact CG2-CG2 3.7Å; I108-T133 HydrophobicContact CD1-CG2 4.22Å; I108-T133 HydrophobicContact CG1-CG2 4.14Å; I108-A136 HydrophobicContact CD1-CB 3.87Å; I108-A136 HydrophobicContact CG1-CB 3.77Å; I108-A136 HydrophobicContact CG2-CB 4.45Å; I108-F141 HydrophobicContact CD1-CB 3.97Å; I108-F141 HydrophobicContact CG2-CB 3.94Å; I108-F141 HydrophobicContact CG2-CD1 3.94Å; I108-F141 HydrophobicContact CG2-CG 4.15Å; I108-V142 WeakPolarHBondContact CD1-O 3.46Å; I108-N143 HydrophobicContact CD1-CB 4.48Å
109	K	98.3	Very high	98.7	Very high	65 Å²	65	17.5 Å²	17.5	28%	0.283	8%	0.078	S	C	.	.	S	Bend	trans	-72.8	-37.9	-176.1	-72	-173.8	-178.5	141.3	0	114.1	F75 A111 E144 L146	F75-K109 HydrophobicContact CB-CG 4.17Å; F75-K109 HydrophobicContact CD1-CB 4.5Å; F75-K109 HydrophobicContact CD1-CD 3.76Å; F75-K109 HydrophobicContact CD1-CG 4Å; F75-K109 HydrophobicContact CE1-CD 4.06Å; F75-K109 HydrophobicContact CG-CD 4.1Å; F75-K109 HydrophobicContact CG-CG 4.17Å; K109-A111 PolarHBondContact O-N 3.5Å; K109-E144 WeakPolarHBondContact CD-OE1 3.12Å; K109-E144 VanDerWaalsContact CE-CD 3.42Å; K109-E144 VanDerWaalsContact CE-OE1 3.23Å; K109-E144 WeakPolarHBondContact CE-OE1 3.17Å; K109-E144 WeakPolarHBondContact CE-OE2 3.07Å; K109-E144 HydrophobicContact CG-CG 4.4Å; K109-E144 IonicContact NZ-OE1 2.78Å; K109-E144 PolarHBondContact NZ-OE1 2.94Å; K109-E144 IonicContact NZ-OE2 3.12Å; K109-E144 PolarHBondContact NZ-OE2 2.79Å; K109-L146 HydrophobicContact CB-CD2 4.37Å; K109-L146 HydrophobicContact CG-CD2 3.56Å
110	N	98.6	Very high	98.7	Very high	53 Å²	53	20.2 Å²	20.2	28%	0.283	9%	0.09	S	C	.	.			trans	-94.5	82.2	-175.4	-177.1	-7.2	0	0	0	110.5	E65 G113 V114 F141	E65-N110 VanDerWaalsContact OE2-CA 3.24Å; E65-N110 WeakPolarHBondContact OE2-CA 3.4Å; E65-N110 PolarHBondContact OE2-OD1 2.84Å; N110-G113 VanDerWaalsContact OD1-CA 3.3Å; N110-G113 WeakPolarHBondContact OD1-CA 3.17Å; N110-G113 PolarHBondContact OD1-N 3.46Å; N110-V114 WeakPolarHBondContact O-CG2 3.46Å; N110-V114 PolarHBondContact O-N 3.49Å; N110-F141 HydrophobicContact CB-CD1 4.35Å; N110-F141 HydrophobicContact CB-CE1 4.02Å
111	A	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.2	-42	-174.6	0	0	0	0	0	112.1	E65 L87 A89 V102 L105 K109 G113 V114 A115	E65-A111 WeakPolarHBondContact OE1-CB 3.37Å; E65-A111 PolarHBondContact OE1-N 2.85Å; E65-A111 PolarHBondContact OE2-N 2.84Å; L87-A111 HydrophobicContact CB-CB 3.71Å; L87-A111 HydrophobicContact CD1-CB 3.96Å; A89-A111 HydrophobicContact CB-CB 3.81Å; V102-A111 HydrophobicContact CG2-CB 4.33Å; L105-A111 HydrophobicContact CD2-CB 3.9Å; K109-A111 PolarHBondContact O-N 3.5Å; A111-G113 VanDerWaalsContact C-N 3.27Å; A111-G113 PolarHBondContact O-N 3.04Å; A111-V114 PolarHBondContact O-N 2.99Å; A111-V114 VanDerWaalsContact O-N 3.13Å; A111-A115 PolarHBondContact O-N 3Å
112	I	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-35.3	176.8	-165.6	69.6	0	0	0	112.2	E58 C61 A62 E65 A89 M90 I91 A115 R116	E58-I112 HydrophobicContact CG-CG2 4.34Å; C61-I112 HydrophobicContact CB-CB 3.92Å; C61-I112 HydrophobicContact CB-CD1 4.32Å; C61-I112 HydrophobicContact CB-CG1 3.77Å; C61-I112 HydrophobicContact CB-CG2 3.81Å; A62-I112 HydrophobicContact CB-CG2 3.86Å; E65-I112 PolarHBondContact OE1-N 3.06Å; A89-I112 HydrophobicContact CB-CB 4.45Å; A89-I112 HydrophobicContact CB-CD1 4.31Å; M90-I112 WeakPolarHBondContact O-CD1 3.34Å; I91-I112 HydrophobicContact CB-CD1 3.97Å; I112-A115 WeakPolarHBondContact O-CB 3.39Å; I112-A115 PolarHBondContact O-N 3.35Å; I112-R116 PolarHBondContact O-N 3.22Å
113	G	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-39.5	174.5	0	0	0	0	0	112	N110 A111 R116 K117 F141	N110-G113 VanDerWaalsContact OD1-CA 3.3Å; N110-G113 WeakPolarHBondContact OD1-CA 3.17Å; N110-G113 PolarHBondContact OD1-N 3.46Å; A111-G113 VanDerWaalsContact C-N 3.27Å; A111-G113 PolarHBondContact O-N 3.04Å; G113-R116 WeakPolarHBondContact O-CB 3.46Å; G113-R116 PolarHBondContact O-N 3.22Å; G113-K117 WeakPolarHBondContact O-CG 3.41Å; G113-K117 PolarHBondContact O-N 3.1Å; G113-F141 VanDerWaalsContact C-CZ 3.44Å
114	V	98.9	Very high	98.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-42.6	172.9	-177	0	0	0	0	110.5	V102 L105 I108 N110 A111 R116 K117 V118 F135 A136 F141	V102-V114 HydrophobicContact CG1-CB 4.23Å; V102-V114 HydrophobicContact CG1-CG1 3.64Å; L105-V114 HydrophobicContact CD2-CB 4.16Å; L105-V114 HydrophobicContact CD2-CG2 4.04Å; I108-V114 HydrophobicContact CG2-CG2 3.7Å; N110-V114 WeakPolarHBondContact O-CG2 3.46Å; N110-V114 PolarHBondContact O-N 3.49Å; A111-V114 PolarHBondContact O-N 2.99Å; A111-V114 VanDerWaalsContact O-N 3.13Å; V114-R116 VanDerWaalsContact C-N 3.26Å; V114-R116 PolarHBondContact O-N 3.28Å; V114-K117 CarbonylContact O-C 3.52Å; V114-K117 WeakPolarHBondContact O-CA 3.4Å; V114-K117 PolarHBondContact O-N 2.82Å; V114-V118 PolarHBondContact O-N 3.49Å; V114-F135 HydrophobicContact CG1-CD1 4.04Å; V114-F135 HydrophobicContact CG1-CE1 4.23Å; V114-A136 HydrophobicContact CB-CB 4.43Å; V114-A136 HydrophobicContact CG1-CB 3.83Å; V114-A136 HydrophobicContact CG2-CB 3.58Å; V114-F141 HydrophobicContact CG2-CD1 3.91Å; V114-F141 HydrophobicContact CG2-CD2 3.86Å; V114-F141 HydrophobicContact CG2-CE1 3.9Å; V114-F141 HydrophobicContact CG2-CE2 3.84Å; V114-F141 HydrophobicContact CG2-CG 3.9Å; V114-F141 HydrophobicContact CG2-CZ 3.87Å
115	A	98.9	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-42.3	174.1	0	0	0	0	0	111.2	A89 I91 G100 V102 A111 I112 K117 V118 L119	A89-A115 HydrophobicContact CB-CB 4.41Å; I91-A115 HydrophobicContact CG2-CB 4.35Å; G100-A115 CarbonylContact C-O 3.6Å; G100-A115 VanDerWaalsContact CA-O 3.28Å; G100-A115 WeakPolarHBondContact CA-O 3.12Å; V102-A115 HydrophobicContact CG2-CB 4.32Å; A111-A115 PolarHBondContact O-N 3Å; I112-A115 WeakPolarHBondContact O-CB 3.39Å; I112-A115 PolarHBondContact O-N 3.35Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.33Å; A115-V118 WeakPolarHBondContact O-CB 3.22Å; A115-V118 PolarHBondContact O-N 3.32Å; A115-L119 PolarHBondContact O-N 3.36Å; A115-L119 VanDerWaalsContact O-N 3.13Å
116	R	98.9	Very high	98.6	Very high	27 Å²	27	45.9 Å²	45.9	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-39.9	172.2	-175.7	174.4	-178.2	157.1	4.1	112.6	D55 E58 I91 I112 G113 V114 V118 L119 E120	D55-R116 IonicContact OD1-CZ 2.68Å; D55-R116 IonicContact OD1-NH1 2.82Å; D55-R116 PolarHBondContact OD1-NH1 2.81Å; D55-R116 IonicContact OD1-NH2 3.68Å; D55-R116 PolarHBondContact OD1-NH2 2.91Å; E58-R116 WeakPolarHBondContact OE2-CD 3.48Å; E58-R116 IonicContact OE2-CZ 2.72Å; E58-R116 IonicContact OE2-NE 2.78Å; E58-R116 IonicContact OE2-NH1 3.91Å; E58-R116 PolarHBondContact OE2-NH1 3.08Å; I91-R116 HydrophobicContact CG2-CB 4.19Å; I112-R116 PolarHBondContact O-N 3.22Å; G113-R116 WeakPolarHBondContact O-CB 3.46Å; G113-R116 PolarHBondContact O-N 3.22Å; V114-R116 VanDerWaalsContact C-N 3.26Å; V114-R116 PolarHBondContact O-N 3.28Å; R116-V118 VanDerWaalsContact C-N 3.34Å; R116-V118 PolarHBondContact O-N 3.04Å; R116-L119 WeakPolarHBondContact O-CB 3.25Å; R116-L119 PolarHBondContact O-N 3.07Å; R116-E120 HydrophobicContact CG-CG 4.3Å; R116-E120 IonicContact CZ-OE1 2.73Å; R116-E120 IonicContact NE-OE1 2.69Å; R116-E120 PolarHBondContact NE-OE1 2.98Å; R116-E120 IonicContact NH2-OE1 3.6Å; R116-E120 PolarHBondContact NH2-OE1 3.36Å; R116-E120 WeakPolarHBondContact O-CG 3.17Å; R116-E120 PolarHBondContact O-N 3.37Å
117	K	98.9	Very high	98.7	Very high	54 Å²	54	45.2 Å²	45.2	24%	0.235	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-31.1	174.9	-63.1	-54.7	165.5	-164.9	0	113.7	G113 V114 A115 L119 E120 H121 F135 M139 F141	G113-K117 WeakPolarHBondContact O-CG 3.41Å; G113-K117 PolarHBondContact O-N 3.1Å; V114-K117 CarbonylContact O-C 3.52Å; V114-K117 WeakPolarHBondContact O-CA 3.4Å; V114-K117 PolarHBondContact O-N 2.82Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.33Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-E120 IonicContact NZ-OE2 2.93Å; K117-E120 PolarHBondContact NZ-OE2 2.88Å; K117-E120 PolarHBondContact O-N 3.11Å; K117-H121 VanDerWaalsContact CD-CD2 3.47Å; K117-H121 WeakPolarHBondContact CD-CD2 3.32Å; K117-H121 WeakPolarHBondContact O-CB 3.11Å; K117-H121 PolarHBondContact O-N 3.31Å; K117-F135 HydrophobicContact CB-CE1 3.96Å; K117-F135 HydrophobicContact CB-CZ 4.06Å; K117-M139 HydrophobicContact CB-CB 4.31Å; K117-M139 HydrophobicContact CB-CG 3.89Å; K117-M139 HydrophobicContact CB-SD 4.34Å; K117-M139 HydrophobicContact CG-CB 4.13Å; K117-M139 HydrophobicContact CG-CG 4.24Å; K117-F141 HydrophobicContact CG-CE2 3.76Å; K117-F141 HydrophobicContact CG-CZ 4.2Å
118	V	98.9	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-46.1	170.4	176.7	0	0	0	0	110.2	V102 V114 A115 R116 T122 H124 L127 F135	V102-V118 HydrophobicContact CG1-CG2 4.06Å; V114-V118 PolarHBondContact O-N 3.49Å; A115-V118 WeakPolarHBondContact O-CB 3.22Å; A115-V118 PolarHBondContact O-N 3.32Å; R116-V118 VanDerWaalsContact C-N 3.34Å; R116-V118 PolarHBondContact O-N 3.04Å; V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.11Å; V118-H124 WeakPolarHBondContact CG1-O 3.22Å; V118-L127 HydrophobicContact CG1-CG 4.43Å; V118-L127 HydrophobicContact CG2-CB 4.5Å; V118-L127 HydrophobicContact CG2-CD1 3.86Å; V118-L127 HydrophobicContact CG2-CG 4.06Å; V118-F135 HydrophobicContact CB-CE1 4.49Å; V118-F135 HydrophobicContact CG2-CD1 4.09Å; V118-F135 HydrophobicContact CG2-CE1 3.6Å; V118-F135 HydrophobicContact CG2-CZ 4.27Å
119	L	98.7	Very high	98.7	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-48.5	176.6	-172	155.4	0	0	0	111.7	L54 I91 D98 A115 R116 K117	L54-L119 HydrophobicContact CD2-CD1 4.47Å; I91-L119 HydrophobicContact CG2-CD1 4.18Å; D98-L119 HydrophobicContact CB-CD1 4.3Å; D98-L119 HydrophobicContact CB-CD2 4.35Å; D98-L119 HydrophobicContact CB-CG 4.09Å; A115-L119 PolarHBondContact O-N 3.36Å; A115-L119 VanDerWaalsContact O-N 3.13Å; R116-L119 WeakPolarHBondContact O-CB 3.25Å; R116-L119 PolarHBondContact O-N 3.07Å; K117-L119 VanDerWaalsContact C-N 3.33Å
120	E	98.6	Very high	98.7	Very high	76 Å²	76	46.7 Å²	46.7	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-81	-27	-171.1	-69.7	176.3	164.8	0	0	114.6	R116 K117	R116-E120 HydrophobicContact CG-CG 4.3Å; R116-E120 IonicContact CZ-OE1 2.73Å; R116-E120 IonicContact NE-OE1 2.69Å; R116-E120 PolarHBondContact NE-OE1 2.98Å; R116-E120 IonicContact NH2-OE1 3.6Å; R116-E120 PolarHBondContact NH2-OE1 3.36Å; R116-E120 WeakPolarHBondContact O-CG 3.17Å; R116-E120 PolarHBondContact O-N 3.37Å; K117-E120 IonicContact NZ-OE2 2.93Å; K117-E120 PolarHBondContact NZ-OE2 2.88Å; K117-E120 PolarHBondContact O-N 3.11Å
121	H	98.7	Very high	98.7	Very high	111 Å²	111	48.2 Å²	48.2	51%	0.514	26%	0.261	S	S	.	.	H	α-helix	trans	-126.3	9.7	-165.6	-60.1	-57.3	0	0	0	114.8	K117 M139	K117-H121 VanDerWaalsContact CD-CD2 3.47Å; K117-H121 WeakPolarHBondContact CD-CD2 3.32Å; K117-H121 WeakPolarHBondContact O-CB 3.11Å; K117-H121 PolarHBondContact O-N 3.31Å; H121-M139 HydrophobicContact CB-SD 4.05Å
122	T	98.6	Very high	98.7	Very high	37 Å²	37	48.2 Å²	48.2	23%	0.227	26%	0.261	C	S	.	.			trans	-137.8	161.9	176.4	83.6	0	0	0	0	110.8	V118 H124 F135	V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.11Å; T122-H124 PolarHBondContact OG1-N 3.33Å; T122-H124 PolarHBondContact OG1-O 2.89Å; T122-F135 HydrophobicContact CG2-CD2 4.4Å; T122-F135 HydrophobicContact CG2-CE2 3.53Å; T122-F135 HydrophobicContact CG2-CZ 3.77Å
123	T	97.9	Very high	98.7	Very high	142 Å²	142	48.3 Å²	48.3	87%	0.871	26%	0.262	S	S	*	.	S	Bend	trans	-92.7	14.3	165.9	60.7	0	0	0	0	111.4
124	H	98.6	Very high	98.7	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.546	29%	0.289	S	S	.	.			trans	-106.8	157.1	-179	-60.9	-54.6	0	0	0	109.7	V118 T122	V118-H124 WeakPolarHBondContact CG1-O 3.22Å; T122-H124 PolarHBondContact OG1-N 3.33Å; T122-H124 PolarHBondContact OG1-O 2.89Å
125	T	98.6	Very high	98.7	Very high	73 Å²	73	56 Å²	56	45%	0.448	30%	0.296	S	S	.	.	S	Bend	trans	-98.6	-38.8	-179.6	-58.3	0	0	0	0	113	V99 G100 A101 P241	V99-T125 HydrophobicContact CB-CG2 3.81Å; V99-T125 HydrophobicContact CG1-CG2 3.91Å; G100-T125 CarbonylContact C-O 3.46Å; G100-T125 WeakPolarHBondContact CA-O 3.34Å; A101-T125 PolarHBondContact N-O 3.46Å; T125-P241 HydrophobicContact CG2-CG 4.3Å
126	L	98.8	Very high	98.7	Very high	74 Å²	74	56 Å²	56	39%	0.387	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.5	-170.1	174.3	61.4	0	0	0	110.4	A101 V128 P239	A101-L126 HydrophobicContact CB-CB 4.24Å; A101-L126 HydrophobicContact CB-CD1 3.59Å; A101-L126 HydrophobicContact CB-CG 4.48Å; A101-L126 WeakPolarHBondContact O-CA 3.17Å; L126-V128 HydrophobicContact CD1-CG1 4.07Å; L126-V128 HydrophobicContact CD2-CG1 4.41Å; L126-V128 HydrophobicContact CG-CG1 4.04Å; L126-P239 HydrophobicContact CD1-CB 4.44Å
127	L	98.9	Very high	98.6	Very high	39 Å²	39	58.8 Å²	58.8	20%	0.204	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.4	170	-58.7	-178.2	0	0	0	109.5	A101 V102 G103 V118 A132 F135	A101-L127 PolarHBondContact O-N 3.12Å; A101-L127 VanDerWaalsContact O-N 3.1Å; V102-L127 VanDerWaalsContact CA-O 3.22Å; V102-L127 WeakPolarHBondContact CA-O 3.46Å; G103-L127 PolarHBondContact N-O 3.26Å; G103-L127 VanDerWaalsContact N-O 3.1Å; V118-L127 HydrophobicContact CG1-CG 4.43Å; V118-L127 HydrophobicContact CG2-CB 4.5Å; V118-L127 HydrophobicContact CG2-CD1 3.86Å; V118-L127 HydrophobicContact CG2-CG 4.06Å; L127-A132 HydrophobicContact CB-CB 3.94Å; L127-F135 HydrophobicContact CD1-CB 3.79Å; L127-F135 HydrophobicContact CD1-CD1 3.65Å; L127-F135 HydrophobicContact CD1-CD2 3.97Å; L127-F135 HydrophobicContact CD1-CE1 4.23Å; L127-F135 HydrophobicContact CD1-CG 3.5Å; L127-F135 VanDerWaalsContact CD1-CG 3.5Å
128	V	98.8	Very high	98.6	Very high	76 Å²	76	60.6 Å²	60.6	46%	0.461	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.3	-175.8	-60.1	0	0	0	0	114.5	G103 L126 A132	G103-V128 CarbonylContact O-C 2.98Å; G103-V128 WeakPolarHBondContact O-CA 3.14Å; G103-V128 WeakPolarHBondContact O-CB 3.37Å; L126-V128 HydrophobicContact CD1-CG1 4.07Å; L126-V128 HydrophobicContact CD2-CG1 4.41Å; L126-V128 HydrophobicContact CG-CG1 4.04Å; V128-A132 PolarHBondContact O-N 3.16Å
129	G	98.4	Very high	98.6	Very high	10 Å²	10	64 Å²	64	10%	0.103	35%	0.346	C	S	.	.	H	α-helix	trans	63.9	-149.7	169.3	0	0	0	0	0	113.8	G103 D104 S131 A132 T133	G103-G129 PolarHBondContact O-N 3Å; D104-G129 WeakPolarHBondContact O-CA 3.29Å; D104-G129 PolarHBondContact O-N 3.47Å; G129-S131 PolarHBondContact O-N 2.89Å; G129-S131 VanDerWaalsContact O-N 3.16Å; G129-A132 WeakPolarHBondContact O-CB 3.17Å; G129-A132 PolarHBondContact O-N 3.31Å; G129-T133 PolarHBondContact O-N 3.2Å
130	E	98	Very high	98.6	Very high	64 Å²	64	65.8 Å²	65.8	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-53.2	-33.1	174.7	-74.6	-64	151	0	0	114.3	R106 R107 A132 T133 K134	R106-E130 VanDerWaalsContact CD-OE1 3.24Å; R106-E130 WeakPolarHBondContact CD-OE1 3.37Å; R106-E130 IonicContact CZ-OE1 2.94Å; R106-E130 IonicContact NE-OE1 3.59Å; R106-E130 PolarHBondContact NE-OE1 3.08Å; R106-E130 VanDerWaalsContact NE-OE1 3.12Å; R106-E130 IonicContact NH1-OE1 3.9Å; R106-E130 PolarHBondContact NH1-OE1 3.46Å; R106-E130 IonicContact NH2-OE1 2.79Å; R107-E130 IonicContact CZ-OE1 3.39Å; R107-E130 VanDerWaalsContact CZ-OE1 3.25Å; R107-E130 IonicContact CZ-OE2 3.43Å; R107-E130 IonicContact NH1-OE1 3.26Å; R107-E130 PolarHBondContact NH1-OE1 3.47Å; R107-E130 IonicContact NH2-OE1 2.59Å; R107-E130 PolarHBondContact NH2-OE1 2.82Å; R107-E130 IonicContact NH2-OE2 3.07Å; R107-E130 PolarHBondContact NH2-OE2 3.17Å; E130-A132 VanDerWaalsContact C-N 3.35Å; E130-T133 WeakPolarHBondContact O-CB 3.34Å; E130-T133 PolarHBondContact O-N 3.4Å; E130-K134 PolarHBondContact O-N 2.9Å; E130-K134 VanDerWaalsContact O-N 3.13Å
131	S	98.6	Very high	98.6	Very high	86 Å²	86	64.3 Å²	64.3	60%	0.601	36%	0.363	S	S	*	.	H	α-helix	trans	-71	-33.3	179.4	-64.3	0	0	0	0	111.8	G129 T133 K134 F135	G129-S131 PolarHBondContact O-N 2.89Å; G129-S131 VanDerWaalsContact O-N 3.16Å; S131-T133 VanDerWaalsContact C-N 3.35Å; S131-K134 PolarHBondContact O-N 3.4Å; S131-F135 PolarHBondContact O-N 3.44Å; S131-F135 VanDerWaalsContact O-N 3.13Å
132	A	98.8	Very high	98.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-37.3	172.2	0	0	0	0	0	111.5	V102 L105 L127 V128 G129 E130 F135 A136	V102-A132 HydrophobicContact CG1-CB 4.34Å; L105-A132 HydrophobicContact CD1-CB 3.68Å; L127-A132 HydrophobicContact CB-CB 3.94Å; V128-A132 PolarHBondContact O-N 3.16Å; G129-A132 WeakPolarHBondContact O-CB 3.17Å; G129-A132 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.35Å; A132-F135 WeakPolarHBondContact O-CB 3.42Å; A132-F135 PolarHBondContact O-N 2.91Å; A132-A136 WeakPolarHBondContact O-CB 3.43Å; A132-A136 PolarHBondContact O-N 2.96Å
133	T	98.8	Very high	98.6	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-46.7	173.5	-52	0	0	0	0	111.8	R106 I108 G129 E130 S131 F135 A136 E137	R106-T133 PolarHBondContact N-OG1 3.1Å; R106-T133 VanDerWaalsContact O-CG2 3.28Å; R106-T133 WeakPolarHBondContact O-CG2 3.38Å; R106-T133 PolarHBondContact O-OG1 3.18Å; I108-T133 HydrophobicContact CD1-CG2 4.22Å; I108-T133 HydrophobicContact CG1-CG2 4.14Å; G129-T133 PolarHBondContact O-N 3.2Å; E130-T133 WeakPolarHBondContact O-CB 3.34Å; E130-T133 PolarHBondContact O-N 3.4Å; S131-T133 VanDerWaalsContact C-N 3.35Å; T133-F135 VanDerWaalsContact C-N 3.29Å; T133-F135 PolarHBondContact O-N 2.56Å; T133-A136 WeakPolarHBondContact O-CA 3.24Å; T133-A136 WeakPolarHBondContact O-CB 3.3Å; T133-A136 PolarHBondContact O-N 2.87Å; T133-A136 VanDerWaalsContact O-N 3.09Å; T133-E137 WeakPolarHBondContact O-CG 3.12Å; T133-E137 PolarHBondContact O-N 2.94Å
134	K	98.8	Very high	98.6	Very high	131 Å²	131	61.9 Å²	61.9	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-61.8	-38.1	177.2	-69.8	176.3	-177.8	175.7	0	112.8	E130 S131 S138	E130-K134 PolarHBondContact O-N 2.9Å; E130-K134 VanDerWaalsContact O-N 3.13Å; S131-K134 PolarHBondContact O-N 3.4Å; K134-S138 PolarHBondContact O-N 2.85Å; K134-S138 VanDerWaalsContact O-N 3.12Å; K134-S138 PolarHBondContact O-OG 2.68Å
135	F	98.9	Very high	98.5	Very high	32 Å²	32	61.2 Å²	61.2	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-47.7	172.1	170	-99.2	0	0	0	110.8	V114 K117 V118 T122 L127 S131 A132 T133 E137 S138 M139	V114-F135 HydrophobicContact CG1-CD1 4.04Å; V114-F135 HydrophobicContact CG1-CE1 4.23Å; K117-F135 HydrophobicContact CB-CE1 3.96Å; K117-F135 HydrophobicContact CB-CZ 4.06Å; V118-F135 HydrophobicContact CB-CE1 4.49Å; V118-F135 HydrophobicContact CG2-CD1 4.09Å; V118-F135 HydrophobicContact CG2-CE1 3.6Å; V118-F135 HydrophobicContact CG2-CZ 4.27Å; T122-F135 HydrophobicContact CG2-CD2 4.4Å; T122-F135 HydrophobicContact CG2-CE2 3.53Å; T122-F135 HydrophobicContact CG2-CZ 3.77Å; L127-F135 HydrophobicContact CD1-CB 3.79Å; L127-F135 HydrophobicContact CD1-CD1 3.65Å; L127-F135 HydrophobicContact CD1-CD2 3.97Å; L127-F135 HydrophobicContact CD1-CE1 4.23Å; L127-F135 HydrophobicContact CD1-CG 3.5Å; L127-F135 VanDerWaalsContact CD1-CG 3.5Å; S131-F135 PolarHBondContact O-N 3.44Å; S131-F135 VanDerWaalsContact O-N 3.13Å; A132-F135 WeakPolarHBondContact O-CB 3.42Å; A132-F135 PolarHBondContact O-N 2.91Å; T133-F135 VanDerWaalsContact C-N 3.29Å; T133-F135 PolarHBondContact O-N 2.56Å; F135-E137 PolarHBondContact O-N 2.97Å; F135-S138 WeakPolarHBondContact O-CA 3.17Å; F135-S138 WeakPolarHBondContact O-CB 3.03Å; F135-S138 PolarHBondContact O-N 3.46Å; F135-M139 HydrophobicContact CD1-CG 4.34Å; F135-M139 HydrophobicContact CD2-CG 4.4Å; F135-M139 HydrophobicContact CE1-CG 3.84Å; F135-M139 HydrophobicContact CE2-CE 4.36Å; F135-M139 HydrophobicContact CE2-CG 3.9Å; F135-M139 HydrophobicContact CE2-SD 4.02Å; F135-M139 HydrophobicContact CZ-CG 3.6Å; F135-M139 HydrophobicContact CZ-SD 3.93Å; F135-M139 WeakPolarHBondContact O-CG 3.28Å; F135-M139 PolarHBondContact O-N 2.85Å
136	A	98.9	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-45.6	177.7	0	0	0	0	0	112.1	I108 V114 A132 T133 S138 M139 G140 F141	I108-A136 HydrophobicContact CD1-CB 3.87Å; I108-A136 HydrophobicContact CG1-CB 3.77Å; I108-A136 HydrophobicContact CG2-CB 4.45Å; V114-A136 HydrophobicContact CB-CB 4.43Å; V114-A136 HydrophobicContact CG1-CB 3.83Å; V114-A136 HydrophobicContact CG2-CB 3.58Å; A132-A136 WeakPolarHBondContact O-CB 3.43Å; A132-A136 PolarHBondContact O-N 2.96Å; T133-A136 WeakPolarHBondContact O-CA 3.24Å; T133-A136 WeakPolarHBondContact O-CB 3.3Å; T133-A136 PolarHBondContact O-N 2.87Å; T133-A136 VanDerWaalsContact O-N 3.09Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 2.96Å; A136-M139 CarbonylContact O-C 3.49Å; A136-M139 WeakPolarHBondContact O-CA 3.44Å; A136-M139 PolarHBondContact O-N 2.75Å; A136-G140 PolarHBondContact O-N 3.12Å; A136-G140 VanDerWaalsContact O-N 3.17Å; A136-F141 HydrophobicContact CB-CB 4.02Å; A136-F141 HydrophobicContact CB-CD2 4.14Å; A136-F141 HydrophobicContact CB-CG 4.28Å; A136-F141 WeakPolarHBondContact O-CB 3.36Å; A136-F141 WeakPolarHBondContact O-CD2 3.15Å; A136-F141 PolarHBondContact O-N 2.65Å
137	E	98.8	Very high	98.2	Very high	84 Å²	84	55.6 Å²	55.6	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-41.4	174.5	-70.3	174.6	128.2	0	0	111.7	T133 F135 M139 G140 N143	T133-E137 WeakPolarHBondContact O-CG 3.12Å; T133-E137 PolarHBondContact O-N 2.94Å; F135-E137 PolarHBondContact O-N 2.97Å; E137-M139 PolarHBondContact O-N 2.76Å; E137-G140 PolarHBondContact O-N 3.46Å; E137-N143 HydrophobicContact CG-CB 3.98Å; E137-N143 WeakPolarHBondContact OE1-CB 3.38Å; E137-N143 PolarHBondContact OE1-ND2 2.82Å
138	S	98.8	Very high	98.1	Very high	93 Å²	93	55.2 Å²	55.2	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-65.5	-25.5	176.9	-55.2	0	0	0	0	112.8	K134 F135 A136 G140	K134-S138 PolarHBondContact O-N 2.85Å; K134-S138 VanDerWaalsContact O-N 3.12Å; K134-S138 PolarHBondContact O-OG 2.68Å; F135-S138 WeakPolarHBondContact O-CA 3.17Å; F135-S138 WeakPolarHBondContact O-CB 3.03Å; F135-S138 PolarHBondContact O-N 3.46Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 2.96Å; S138-G140 VanDerWaalsContact C-N 3.33Å
139	M	98.8	Very high	98	Very high	70 Å²	70	56.4 Å²	56.4	35%	0.345	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.5	174.1	-59.8	-64.2	92.8	0	0	113.2	K117 H121 F135 A136 E137 F141	K117-M139 HydrophobicContact CB-CB 4.31Å; K117-M139 HydrophobicContact CB-CG 3.89Å; K117-M139 HydrophobicContact CB-SD 4.34Å; K117-M139 HydrophobicContact CG-CB 4.13Å; K117-M139 HydrophobicContact CG-CG 4.24Å; H121-M139 HydrophobicContact CB-SD 4.05Å; F135-M139 HydrophobicContact CD1-CG 4.34Å; F135-M139 HydrophobicContact CD2-CG 4.4Å; F135-M139 HydrophobicContact CE1-CG 3.84Å; F135-M139 HydrophobicContact CE2-CE 4.36Å; F135-M139 HydrophobicContact CE2-CG 3.9Å; F135-M139 HydrophobicContact CE2-SD 4.02Å; F135-M139 HydrophobicContact CZ-CG 3.6Å; F135-M139 HydrophobicContact CZ-SD 3.93Å; F135-M139 WeakPolarHBondContact O-CG 3.28Å; F135-M139 PolarHBondContact O-N 2.85Å; A136-M139 CarbonylContact O-C 3.49Å; A136-M139 WeakPolarHBondContact O-CA 3.44Å; A136-M139 PolarHBondContact O-N 2.75Å; E137-M139 PolarHBondContact O-N 2.76Å; M139-F141 HydrophobicContact CB-CD2 4.01Å; M139-F141 HydrophobicContact CB-CE2 4.06Å
140	G	98.6	Very high	97.8	Very high	64 Å²	64	58.6 Å²	58.6	66%	0.66	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	10.5	175.7	0	0	0	0	0	115.4	A136 E137 S138	A136-G140 PolarHBondContact O-N 3.12Å; A136-G140 VanDerWaalsContact O-N 3.17Å; E137-G140 PolarHBondContact O-N 3.46Å; S138-G140 VanDerWaalsContact C-N 3.33Å
141	F	98.8	Very high	97.7	Very high	45 Å²	45	55.5 Å²	55.5	20%	0.197	33%	0.332	C	S	.	.			trans	-74.8	149.4	171.7	-66.3	-96.8	0	0	0	111.1	I108 N110 G113 V114 K117 A136 M139	I108-F141 HydrophobicContact CD1-CB 3.97Å; I108-F141 HydrophobicContact CG2-CB 3.94Å; I108-F141 HydrophobicContact CG2-CD1 3.94Å; I108-F141 HydrophobicContact CG2-CG 4.15Å; N110-F141 HydrophobicContact CB-CD1 4.35Å; N110-F141 HydrophobicContact CB-CE1 4.02Å; G113-F141 VanDerWaalsContact C-CZ 3.44Å; V114-F141 HydrophobicContact CG2-CD1 3.91Å; V114-F141 HydrophobicContact CG2-CD2 3.86Å; V114-F141 HydrophobicContact CG2-CE1 3.9Å; V114-F141 HydrophobicContact CG2-CE2 3.84Å; V114-F141 HydrophobicContact CG2-CG 3.9Å; V114-F141 HydrophobicContact CG2-CZ 3.87Å; K117-F141 HydrophobicContact CG-CE2 3.76Å; K117-F141 HydrophobicContact CG-CZ 4.2Å; A136-F141 HydrophobicContact CB-CB 4.02Å; A136-F141 HydrophobicContact CB-CD2 4.14Å; A136-F141 HydrophobicContact CB-CG 4.28Å; A136-F141 WeakPolarHBondContact O-CB 3.36Å; A136-F141 WeakPolarHBondContact O-CD2 3.15Å; A136-F141 PolarHBondContact O-N 2.65Å; M139-F141 HydrophobicContact CB-CD2 4.01Å; M139-F141 HydrophobicContact CB-CE2 4.06Å
142	V	98.5	Very high	97.6	Very high	103 Å²	103	56.2 Å²	56.2	62%	0.624	33%	0.326	S	S	*	.			trans	-88.7	125.8	179.8	-179.5	0	0	0	0	109.8	I108 E144	I108-V142 WeakPolarHBondContact CD1-O 3.46Å; V142-E144 HydrophobicContact CG1-CB 4.49Å; V142-E144 PolarHBondContact O-N 3.29Å
143	N	98.3	Very high	97.5	Very high	63 Å²	63	58.5 Å²	58.5	34%	0.337	35%	0.345	S	S	.	.			trans	-80.5	111.3	171.9	-176.9	-15.7	0	0	0	109.9	R107 I108 E137	R107-N143 WeakPolarHBondContact CB-OD1 3.15Å; R107-N143 WeakPolarHBondContact CD-OD1 3.44Å; R107-N143 PolarHBondContact NE-OD1 2.93Å; R107-N143 CarbonylContact O-C 3.46Å; R107-N143 VanDerWaalsContact O-CA 3.27Å; R107-N143 WeakPolarHBondContact O-CA 3.28Å; I108-N143 HydrophobicContact CD1-CB 4.48Å; E137-N143 HydrophobicContact CG-CB 3.98Å; E137-N143 WeakPolarHBondContact OE1-CB 3.38Å; E137-N143 PolarHBondContact OE1-ND2 2.82Å
144	E	97.3	Very high	97.4	Very high	73 Å²	73	61.6 Å²	61.6	34%	0.341	36%	0.361	S	S	.	.			trans	-145.5	156.2	-177.3	61.4	175.6	153.4	0	0	112.1	R107 K109 V142 L146	R107-E144 CarbonylContact C-O 3.59Å; R107-E144 VanDerWaalsContact C-O 3.31Å; R107-E144 WeakPolarHBondContact CA-O 3.41Å; R107-E144 WeakPolarHBondContact CB-O 3.39Å; R107-E144 PolarHBondContact O-N 2.99Å; K109-E144 WeakPolarHBondContact CD-OE1 3.12Å; K109-E144 VanDerWaalsContact CE-CD 3.42Å; K109-E144 VanDerWaalsContact CE-OE1 3.23Å; K109-E144 WeakPolarHBondContact CE-OE1 3.17Å; K109-E144 WeakPolarHBondContact CE-OE2 3.07Å; K109-E144 HydrophobicContact CG-CG 4.4Å; K109-E144 IonicContact NZ-OE1 2.78Å; K109-E144 PolarHBondContact NZ-OE1 2.94Å; K109-E144 IonicContact NZ-OE2 3.12Å; K109-E144 PolarHBondContact NZ-OE2 2.79Å; V142-E144 HydrophobicContact CG1-CB 4.49Å; V142-E144 PolarHBondContact O-N 3.29Å; E144-L146 PolarHBondContact O-N 3.03Å
145	D	95.9	Very high	97.3	Very high	104 Å²	104	56.6 Å²	56.6	56%	0.556	34%	0.339	S	S	*	.			trans	-62.9	133.5	177.5	-172	7.7	0	0	0	111	S147	D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.32Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.04Å; D145-S147 PolarHBondContact OD2-OG 2.91Å
146	L	97.6	Very high	97.3	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	36%	0.355	C	S	.	.			trans	-92.7	-5.8	176.7	-55.5	-178.4	0	0	0	111.9	F75 G76 T85 L87 K109 E144	F75-L146 HydrophobicContact CB-CB 3.89Å; F75-L146 HydrophobicContact CB-CD2 3.86Å; F75-L146 HydrophobicContact CB-CG 4.39Å; G76-L146 VanDerWaalsContact CA-O 3.29Å; G76-L146 WeakPolarHBondContact CA-O 3.35Å; G76-L146 PolarHBondContact N-O 2.91Å; T85-L146 HydrophobicContact CG2-CB 4.26Å; T85-L146 WeakPolarHBondContact O-CD1 3.44Å; L87-L146 HydrophobicContact CD1-CD1 4.16Å; L87-L146 HydrophobicContact CG-CD1 3.98Å; K109-L146 HydrophobicContact CB-CD2 4.37Å; K109-L146 HydrophobicContact CG-CD2 3.56Å; E144-L146 PolarHBondContact O-N 3.03Å
147	S	95.3	Very high	97.2	Very high	28 Å²	28	63 Å²	63	20%	0.196	38%	0.38	C	S	.	.			trans	-69.7	150	179.4	85	0	0	0	0	112.3	D145 Q152	D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.32Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.04Å; D145-S147 PolarHBondContact OD2-OG 2.91Å; S147-Q152 PolarHBondContact OG-NE2 3.17Å
148	T	95.8	Very high	97.1	Very high	31 Å²	31	59.2 Å²	59.2	19%	0.19	36%	0.363	C	S	.	.			trans	-126.5	167.4	169.3	63.2	0	0	0	0	109.2	F75 G76 A150 S151 Q152	F75-T148 HydrophobicContact CD2-CG2 4.02Å; F75-T148 HydrophobicContact CE2-CG2 4.08Å; G76-T148 VanDerWaalsContact CA-CG2 3.43Å; G76-T148 PolarHBondContact O-OG1 2.88Å; T148-A150 PolarHBondContact O-N 3.15Å; T148-A150 PolarHBondContact OG1-N 2.88Å; T148-S151 PolarHBondContact N-OG 2.93Å; T148-S151 PolarHBondContact O-N 3.31Å; T148-S151 PolarHBondContact O-OG 3.42Å; T148-S151 PolarHBondContact OG1-N 3.38Å; T148-Q152 WeakPolarHBondContact O-CB 3.44Å; T148-Q152 VanDerWaalsContact O-CG 3.23Å; T148-Q152 WeakPolarHBondContact O-CG 3.33Å; T148-Q152 PolarHBondContact O-N 2.97Å
149	S	96.5	Very high	97.1	Very high	101 Å²	101	58.7 Å²	58.7	71%	0.706	35%	0.352	S	S	*	.	H	α-helix	trans	-55.7	-32.5	171	52.7	0	0	0	0	112.2	A153	S149-A153 VanDerWaalsContact O-CB 3.29Å; S149-A153 WeakPolarHBondContact O-CB 3.3Å; S149-A153 PolarHBondContact O-N 2.83Å
150	A	94.6	Very high	97	Very high	55 Å²	55	59.2 Å²	59.2	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-69.5	-47.8	176.5	0	0	0	0	0	112.3	T148 Q152 A153 L154	T148-A150 PolarHBondContact O-N 3.15Å; T148-A150 PolarHBondContact OG1-N 2.88Å; A150-Q152 VanDerWaalsContact C-N 3.33Å; A150-Q152 PolarHBondContact O-N 3.48Å; A150-A153 PolarHBondContact O-N 2.57Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 VanDerWaalsContact O-CG 3.3Å; A150-L154 WeakPolarHBondContact O-CG 3.23Å; A150-L154 PolarHBondContact O-N 3.06Å
151	S	95.6	Very high	96.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.4	-37.7	177.9	63.6	0	0	0	0	112.2	G76 T148 L154 H155	G76-S151 WeakPolarHBondContact O-CB 3.47Å; T148-S151 PolarHBondContact N-OG 2.93Å; T148-S151 PolarHBondContact O-N 3.31Å; T148-S151 PolarHBondContact O-OG 3.42Å; T148-S151 PolarHBondContact OG1-N 3.38Å; S151-L154 PolarHBondContact O-N 3.12Å; S151-H155 PolarHBondContact O-N 2.88Å
152	Q	97.3	Very high	96.8	Very high	101 Å²	101	64.8 Å²	64.8	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-42.6	175.5	-68	168.7	5.4	0	0	111.9	S147 T148 A150 H155 S156	S147-Q152 PolarHBondContact OG-NE2 3.17Å; T148-Q152 WeakPolarHBondContact O-CB 3.44Å; T148-Q152 VanDerWaalsContact O-CG 3.23Å; T148-Q152 WeakPolarHBondContact O-CG 3.33Å; T148-Q152 PolarHBondContact O-N 2.97Å; A150-Q152 VanDerWaalsContact C-N 3.33Å; A150-Q152 PolarHBondContact O-N 3.48Å; Q152-H155 PolarHBondContact O-N 3.21Å; Q152-S156 WeakPolarHBondContact O-CB 3.31Å; Q152-S156 PolarHBondContact O-N 3.44Å; Q152-S156 PolarHBondContact O-OG 2.95Å
153	A	97	Very high	96.7	Very high	47 Å²	47	60.2 Å²	60.2	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-45.3	174.8	0	0	0	0	0	111.5	S149 A150 H155 S156 D157	S149-A153 VanDerWaalsContact O-CB 3.29Å; S149-A153 WeakPolarHBondContact O-CB 3.3Å; S149-A153 PolarHBondContact O-N 2.83Å; A150-A153 PolarHBondContact O-N 2.57Å; A153-H155 VanDerWaalsContact C-N 3.32Å; A153-H155 PolarHBondContact O-N 3.48Å; A153-S156 PolarHBondContact O-N 3.39Å; A153-D157 WeakPolarHBondContact O-CB 3.29Å; A153-D157 PolarHBondContact O-N 3.44Å
154	L	95.8	Very high	96.5	Very high	66 Å²	66	59.5 Å²	59.5	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-44.9	176.3	-77.7	168.7	0	0	0	112.2	A150 S151 W158	A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 VanDerWaalsContact O-CG 3.3Å; A150-L154 WeakPolarHBondContact O-CG 3.23Å; A150-L154 PolarHBondContact O-N 3.06Å; S151-L154 PolarHBondContact O-N 3.12Å; L154-W158 WeakPolarHBondContact O-CB 3.42Å; L154-W158 PolarHBondContact O-N 3.41Å
155	H	97.4	Very high	96.2	Very high	26 Å²	26	57.2 Å²	57.2	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-42.4	177.6	-176	-107.3	0	0	0	112.2	P79 D80 E81 G83 S151 Q152 A153 D157 W158 L159	P79-H155 HydrophobicContact CG-CB 4.22Å; D80-H155 PolarHBondContact O-CD2 2.85Å; E81-H155 PolarHBondContact O-NE2 2.81Å; G83-H155 VanDerWaalsContact CA-CD2 3.47Å; G83-H155 WeakPolarHBondContact CA-CD2 3.19Å; G83-H155 PolarHBondContact N-CD2 3.32Å; G83-H155 PolarHBondContact N-NE2 3.33Å; S151-H155 PolarHBondContact O-N 2.88Å; Q152-H155 PolarHBondContact O-N 3.21Å; A153-H155 VanDerWaalsContact C-N 3.32Å; A153-H155 PolarHBondContact O-N 3.48Å; H155-D157 VanDerWaalsContact C-N 3.35Å; H155-D157 PolarHBondContact O-N 3.05Å; H155-W158 AromaticContact CD2-CE3 3.93Å; H155-W158 AromaticContact NE2-CZ3 3.96Å; H155-W158 WeakPolarHBondContact O-CB 3.4Å; H155-W158 PolarHBondContact O-N 3.17Å; H155-L159 WeakPolarHBondContact O-CG 3.24Å; H155-L159 PolarHBondContact O-N 3.48Å
156	S	97.9	Very high	96.1	Very high	67 Å²	67	53.3 Å²	53.3	47%	0.469	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-43.3	176.9	-60.1	0	0	0	0	112	Q152 A153 W158 L159 A160	Q152-S156 WeakPolarHBondContact O-CB 3.31Å; Q152-S156 PolarHBondContact O-N 3.44Å; Q152-S156 PolarHBondContact O-OG 2.95Å; A153-S156 PolarHBondContact O-N 3.39Å; S156-W158 VanDerWaalsContact C-N 3.33Å; S156-W158 PolarHBondContact O-N 3.33Å; S156-L159 PolarHBondContact O-N 3.37Å; S156-A160 WeakPolarHBondContact O-CB 3.49Å; S156-A160 PolarHBondContact O-N 2.73Å
157	D	97.5	Very high	95.9	Very high	99 Å²	99	56.5 Å²	56.5	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-34.3	176.5	-73.6	-13.6	0	0	0	112.2	A153 H155 R161	A153-D157 WeakPolarHBondContact O-CB 3.29Å; A153-D157 PolarHBondContact O-N 3.44Å; H155-D157 VanDerWaalsContact C-N 3.35Å; H155-D157 PolarHBondContact O-N 3.05Å; D157-R161 WeakPolarHBondContact O-CG 3.3Å; D157-R161 PolarHBondContact O-N 2.9Å; D157-R161 VanDerWaalsContact O-N 3.17Å; D157-R161 PolarHBondContact O-NE 2.74Å
158	W	97.1	Very high	95.9	Very high	6 Å²	6	58.8 Å²	58.8	2%	0.023	33%	0.329	C	S	.	.	H	α-helix	trans	-68.5	-42.8	174.4	175.9	82.2	0	0	0	112.2	E81 L154 H155 S156 A160 R161 C163 Q164 P165 N166 F229	E81-W158 HydrophobicContact CB-CH2 3.71Å; E81-W158 HydrophobicContact CB-CZ2 4.44Å; E81-W158 HydrophobicContact CB-CZ3 4.28Å; L154-W158 WeakPolarHBondContact O-CB 3.42Å; L154-W158 PolarHBondContact O-N 3.41Å; H155-W158 AromaticContact CD2-CE3 3.93Å; H155-W158 AromaticContact NE2-CZ3 3.96Å; H155-W158 WeakPolarHBondContact O-CB 3.4Å; H155-W158 PolarHBondContact O-N 3.17Å; S156-W158 VanDerWaalsContact C-N 3.33Å; S156-W158 PolarHBondContact O-N 3.33Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.69Å; W158-R161 CarbonylContact O-C 3.47Å; W158-R161 PolarHBondContact O-N 3.42Å; W158-R161 VanDerWaalsContact O-N 3.09Å; W158-C163 HydrophobicContact CD2-CB 4.28Å; W158-C163 HydrophobicContact CE3-CB 4.31Å; W158-C163 HydrophobicContact CH2-CB 3.42Å; W158-C163 VanDerWaalsContact CH2-CB 3.42Å; W158-C163 HydrophobicContact CZ2-CB 3.38Å; W158-C163 WeakPolarHBondContact CZ2-O 3.07Å; W158-C163 HydrophobicContact CZ3-CB 3.91Å; W158-C163 VanDerWaalsContact CZ3-SG 3.6Å; W158-C163 PolarHBondContact NE1-O 3.48Å; W158-C163 WeakPolarHBondContact O-CA 3.37Å; W158-C163 PolarHBondContact O-N 3.39Å; W158-Q164 VanDerWaalsContact CD1-O 3.3Å; W158-P165 PolarHBondContact NE1-O 2.6Å; W158-N166 HydrophobicContact CZ2-CB 4.18Å; W158-F229 HydrophobicContact CB-CD1 3.98Å; W158-F229 HydrophobicContact CB-CD2 4.39Å; W158-F229 HydrophobicContact CB-CE1 3.54Å; W158-F229 HydrophobicContact CB-CE2 3.99Å; W158-F229 HydrophobicContact CB-CG 4.39Å; W158-F229 HydrophobicContact CB-CZ 3.54Å; W158-F229 AromaticContact CD1-CD1 3.98Å; W158-F229 AromaticContact CD1-CD2 3.26Å; W158-F229 AromaticContact CD1-CE2 3.51Å; W158-F229 AromaticContact CD1-CG 3.52Å; W158-F229 AromaticContact CD1-CZ 3.98Å; W158-F229 HydrophobicContact CD2-CB 4.22Å; W158-F229 AromaticContact CD2-CD1 3.84Å; W158-F229 HydrophobicContact CD2-CD1 3.84Å; W158-F229 HydrophobicContact CD2-CD2 4.41Å; W158-F229 HydrophobicContact CD2-CE1 4.34Å; W158-F229 AromaticContact CD2-CG 3.88Å; W158-F229 HydrophobicContact CD2-CG 3.88Å; W158-F229 AromaticContact CE2-CG 3.8Å; W158-F229 HydrophobicContact CE3-CD1 4.36Å; W158-F229 HydrophobicContact CG-CB 4.48Å; W158-F229 AromaticContact CG-CD1 3.68Å; W158-F229 HydrophobicContact CG-CD1 3.68Å; W158-F229 AromaticContact CG-CD2 3.81Å; W158-F229 HydrophobicContact CG-CD2 3.81Å; W158-F229 AromaticContact CG-CE1 3.76Å; W158-F229 HydrophobicContact CG-CE1 3.76Å; W158-F229 AromaticContact CG-CE2 3.88Å; W158-F229 HydrophobicContact CG-CE2 3.88Å; W158-F229 AromaticContact CG-CG 3.7Å; W158-F229 HydrophobicContact CG-CG 3.7Å; W158-F229 AromaticContact CG-CZ 3.86Å; W158-F229 HydrophobicContact CG-CZ 3.86Å; W158-F229 HydrophobicContact CZ2-CB 4Å; W158-F229 AromaticContact NE1-CD2 3.55Å; W158-F229 AromaticContact NE1-CG 3.54Å
159	L	97.3	Very high	95.7	Very high	82 Å²	82	65.9 Å²	65.9	43%	0.429	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-44.5	172.5	-70.8	176.5	0	0	0	111.4	H155 S156 R161 N162	H155-L159 WeakPolarHBondContact O-CG 3.24Å; H155-L159 PolarHBondContact O-N 3.48Å; S156-L159 PolarHBondContact O-N 3.37Å; L159-R161 PolarHBondContact O-N 2.88Å; L159-N162 PolarHBondContact O-N 2.88Å
160	A	97.6	Very high	95.4	Very high	80 Å²	80	64.6 Å²	64.6	66%	0.661	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-23.1	176.5	0	0	0	0	0	113.1	S156 W158 N162	S156-A160 WeakPolarHBondContact O-CB 3.49Å; S156-A160 PolarHBondContact O-N 2.73Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.69Å; A160-N162 VanDerWaalsContact C-N 3.33Å
161	R	96	Very high	95.3	Very high	130 Å²	130	62.8 Å²	62.8	49%	0.491	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	26.4	174.5	-69	-175.3	-64.2	153.6	0.8	113.4	D157 W158 L159 C163 Q164	D157-R161 WeakPolarHBondContact O-CG 3.3Å; D157-R161 PolarHBondContact O-N 2.9Å; D157-R161 VanDerWaalsContact O-N 3.17Å; D157-R161 PolarHBondContact O-NE 2.74Å; W158-R161 CarbonylContact O-C 3.47Å; W158-R161 PolarHBondContact O-N 3.42Å; W158-R161 VanDerWaalsContact O-N 3.09Å; L159-R161 PolarHBondContact O-N 2.88Å; R161-C163 VanDerWaalsContact C-N 3.28Å; R161-C163 PolarHBondContact O-N 3.35Å; R161-Q164 WeakPolarHBondContact O-CB 3.08Å; R161-Q164 WeakPolarHBondContact O-CG 3.46Å; R161-Q164 PolarHBondContact O-N 2.97Å
162	N	96.1	Very high	95.2	Very high	97 Å²	97	66 Å²	66	52%	0.519	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	40.5	-179.4	-55.9	-63.7	0	0	0	113.1	L159 A160 Q164 K177	L159-N162 PolarHBondContact O-N 2.88Å; A160-N162 VanDerWaalsContact C-N 3.33Å; N162-Q164 VanDerWaalsContact C-N 3.32Å; N162-Q164 PolarHBondContact O-N 3.43Å; N162-Q164 PolarHBondContact O-NE2 3.32Å; N162-K177 WeakPolarHBondContact CB-O 3.46Å
163	C	96	Very high	95	Very high	7 Å²	7	63.5 Å²	63.5	5%	0.047	33%	0.333	C	S	.	.	S	Bend	trans	60.7	39.8	177.9	-57.5	0	0	0	0	112.8	W158 R161 N166 C179	W158-C163 HydrophobicContact CD2-CB 4.28Å; W158-C163 HydrophobicContact CE3-CB 4.31Å; W158-C163 HydrophobicContact CH2-CB 3.42Å; W158-C163 VanDerWaalsContact CH2-CB 3.42Å; W158-C163 HydrophobicContact CZ2-CB 3.38Å; W158-C163 WeakPolarHBondContact CZ2-O 3.07Å; W158-C163 HydrophobicContact CZ3-CB 3.91Å; W158-C163 VanDerWaalsContact CZ3-SG 3.6Å; W158-C163 PolarHBondContact NE1-O 3.48Å; W158-C163 WeakPolarHBondContact O-CA 3.37Å; W158-C163 PolarHBondContact O-N 3.39Å; R161-C163 VanDerWaalsContact C-N 3.28Å; R161-C163 PolarHBondContact O-N 3.35Å; C163-N166 WeakPolarHBondContact O-CB 3.44Å; C163-N166 PolarHBondContact O-ND2 2.68Å; C163-C179 HydrophobicContact CB-CB 3.92Å; C163-C179 WeakPolarHBondContact CB-SG 3.41Å; C163-C179 PolarHBondContact N-SG 2.97Å; C163-C179 VanDerWaalsContact N-SG 3.41Å; C163-C179 WeakPolarHBondContact SG-CB 3.07Å; C163-C179 CovalentContact SG-SG 2.03Å; C163-C179 PolarHBondContact SG-SG 3.41Å
164	Q	94.3	Very high	94.8	Very high	47 Å²	47	64 Å²	64	22%	0.22	33%	0.328	C	S	.	.			trans	-116.1	139.4	-180	-57.8	-52.5	-49.8	0	0	112.7	W158 R161 N162 N166 P175	W158-Q164 VanDerWaalsContact CD1-O 3.3Å; R161-Q164 WeakPolarHBondContact O-CB 3.08Å; R161-Q164 WeakPolarHBondContact O-CG 3.46Å; R161-Q164 PolarHBondContact O-N 2.97Å; N162-Q164 VanDerWaalsContact C-N 3.32Å; N162-Q164 PolarHBondContact O-N 3.43Å; N162-Q164 PolarHBondContact O-NE2 3.32Å; Q164-N166 PolarHBondContact NE2-ND2 2.82Å; Q164-N166 PolarHBondContact OE1-ND2 2.95Å; Q164-P175 PolarHBondContact NE2-O 3.32Å
165	P	92.4	Very high	94.6	Very high	25 Å²	25	61.2 Å²	61.2	16%	0.162	32%	0.315	C	S	.	.	S	Bend	cis	-75.7	158.5	-7.2	34.5	-37.7	0	0	0	112	W158 N201	W158-P165 PolarHBondContact NE1-O 2.6Å; P165-N201 WeakPolarHBondContact CB-ND2 3.46Å; P165-N201 WeakPolarHBondContact CG-OD1 3.42Å
166	N	93.4	Very high	94.4	Very high	22 Å²	22	62.2 Å²	62.2	12%	0.118	33%	0.325	C	S	.	.			trans	-137.5	176.1	171.8	69.3	80.7	0	0	0	111.7	W158 C163 Q164 W168 P175	W158-N166 HydrophobicContact CZ2-CB 4.18Å; C163-N166 WeakPolarHBondContact O-CB 3.44Å; C163-N166 PolarHBondContact O-ND2 2.68Å; Q164-N166 PolarHBondContact NE2-ND2 2.82Å; Q164-N166 PolarHBondContact OE1-ND2 2.95Å; N166-W168 WeakPolarHBondContact OD1-CB 3.49Å; N166-W168 PolarHBondContact OD1-N 3.35Å; N166-P175 PolarHBondContact ND2-O 3.48Å
167	Y	93.5	Very high	94.2	Very high	69 Å²	69	64.7 Å²	64.7	27%	0.271	33%	0.327	S	S	.	.			trans	-109.6	7.3	-172.7	-51.9	-84.3	0	0	0	113.7	I227 K228 F229	Y167-I227 HydrophobicContact CD1-CD1 4.04Å; Y167-I227 HydrophobicContact CD2-CD1 4.39Å; Y167-I227 HydrophobicContact CE1-CD1 3.55Å; Y167-I227 HydrophobicContact CE1-CG1 4.4Å; Y167-I227 HydrophobicContact CE2-CD1 3.95Å; Y167-I227 HydrophobicContact CE2-CG1 4.13Å; Y167-I227 HydrophobicContact CG-CD1 4.44Å; Y167-I227 VanDerWaalsContact CZ-CD1 3.49Å; Y167-K228 WeakPolarHBondContact CE2-O 3.34Å; Y167-K228 PolarHBondContact OH-O 3.28Å; Y167-F229 WeakPolarHBondContact CD2-O 3.46Å; Y167-F229 WeakPolarHBondContact CE2-O 3.29Å
168	W	94.1	Very high	94	Very high	77 Å²	77	66.4 Å²	66.4	29%	0.292	33%	0.327	S	S	.	.			trans	-77.8	137.3	176.4	-68.5	94.4	0	0	0	110.7	E81 N166 V171 P175 Y182 I231	E81-W168 PolarHBondContact OE2-NE1 2.85Å; N166-W168 WeakPolarHBondContact OD1-CB 3.49Å; N166-W168 PolarHBondContact OD1-N 3.35Å; W168-V171 HydrophobicContact CB-CG2 3.87Å; W168-V171 HydrophobicContact CE3-CG1 4.13Å; W168-P175 HydrophobicContact CB-CB 3.82Å; W168-P175 WeakPolarHBondContact O-CB 3.47Å; W168-P175 WeakPolarHBondContact O-CG 3.21Å; W168-Y182 HydrophobicContact CB-CD2 4Å; W168-Y182 HydrophobicContact CB-CE2 4.03Å; W168-Y182 HydrophobicContact CB-CG 4.36Å; W168-Y182 AromaticContact CD1-CD2 3.32Å; W168-Y182 AromaticContact CD1-CE2 3.13Å; W168-Y182 AromaticContact CD2-CD2 3.48Å; W168-Y182 HydrophobicContact CD2-CD2 3.48Å; W168-Y182 VanDerWaalsContact CD2-CD2 3.48Å; W168-Y182 HydrophobicContact CD2-CE2 4.13Å; W168-Y182 HydrophobicContact CD2-CG 4.12Å; W168-Y182 AromaticContact CE2-CD2 3.56Å; W168-Y182 HydrophobicContact CE3-CD2 4.27Å; W168-Y182 AromaticContact CG-CD2 3.32Å; W168-Y182 HydrophobicContact CG-CD2 3.32Å; W168-Y182 AromaticContact CG-CE2 3.5Å; W168-Y182 HydrophobicContact CG-CE2 3.5Å; W168-Y182 HydrophobicContact CG-CG 4.05Å; W168-Y182 HydrophobicContact CZ2-CD2 4.36Å; W168-Y182 AromaticContact NE1-CD2 3.43Å; W168-Y182 AromaticContact NE1-CE2 3.53Å; W168-I231 HydrophobicContact CD2-CD1 3.76Å; W168-I231 HydrophobicContact CD2-CG1 4.34Å; W168-I231 HydrophobicContact CE3-CD1 4.14Å; W168-I231 HydrophobicContact CG-CD1 4.15Å; W168-I231 HydrophobicContact CH2-CD1 4.38Å; W168-I231 HydrophobicContact CH2-CG2 4.15Å; W168-I231 HydrophobicContact CZ2-CD1 4.03Å; W168-I231 HydrophobicContact CZ2-CG1 4.13Å; W168-I231 HydrophobicContact CZ2-CG2 3.65Å; W168-I231 HydrophobicContact CZ3-CD1 4.43Å
169	R	91.9	Very high	93.9	Very high	180 Å²	180	68.2 Å²	68.2	68%	0.679	34%	0.34	S	S	*	.			trans	-139.5	149	177.2	63.7	-177.5	-175.1	172	0.4	110.2	V171	R169-V171 VanDerWaalsContact C-N 3.31Å; R169-V171 PolarHBondContact O-N 3.11Å
170	N	89.9	Confident	93.6	Very high	74 Å²	74	66 Å²	66	40%	0.396	34%	0.337	S	S	.	.	S	Bend	trans	59	40.1	176.4	-51.5	-32.6	0	0	0	113.6	L185 I192	N170-L185 HydrophobicContact CB-CD1 4.27Å; N170-L185 PolarHBondContact O-N 3.4Å; N170-I192 WeakPolarHBondContact OD1-CG2 3.41Å
171	V	93.1	Very high	93.5	Very high	16 Å²	16	67.9 Å²	67.9	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	165.1	-179.3	-67.2	0	0	0	0	111.8	W168 R169 P175 Y182 K183	W168-V171 HydrophobicContact CB-CG2 3.87Å; W168-V171 HydrophobicContact CE3-CG1 4.13Å; R169-V171 VanDerWaalsContact C-N 3.31Å; R169-V171 PolarHBondContact O-N 3.11Å; V171-P175 HydrophobicContact CG2-CB 3.89Å; V171-P175 HydrophobicContact CG2-CG 3.8Å; V171-Y182 HydrophobicContact CB-CD1 4.37Å; V171-Y182 HydrophobicContact CB-CG 4.38Å; V171-Y182 HydrophobicContact CG2-CD1 3.58Å; V171-Y182 HydrophobicContact CG2-CE1 4.37Å; V171-Y182 HydrophobicContact CG2-CG 3.75Å; V171-K183 CarbonylContact C-O 3.54Å; V171-K183 WeakPolarHBondContact CA-O 3.47Å; V171-K183 VanDerWaalsContact CB-O 3.31Å; V171-K183 WeakPolarHBondContact CB-O 3.19Å
172	V	92.8	Very high	93.4	Very high	67 Å²	67	63.3 Å²	63.3	41%	0.406	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.4	170.4	-67.4	0	0	0	0	110.5	Y182 K183 L185	V172-Y182 CarbonylContact O-C 3.48Å; V172-Y182 WeakPolarHBondContact O-CA 3.25Å; V172-K183 HydrophobicContact CG2-CB 4.22Å; V172-K183 PolarHBondContact N-O 3.22Å; V172-K183 PolarHBondContact O-N 2.06Å; V172-L185 HydrophobicContact CG1-CD2 3.41Å; V172-L185 VanDerWaalsContact CG1-CD2 3.41Å; V172-L185 HydrophobicContact CG1-CG 4.19Å
173	P	93.1	Very high	93.3	Very high	50 Å²	50	65.5 Å²	65.5	33%	0.325	33%	0.33	S	S	.	.	S	Bend	cis	-64.7	168	-4.6	31.8	-37.1	0	0	0	112.4	P175 Y178 Y182	P173-P175 WeakPolarHBondContact O-CD 3.49Å; P173-Y178 HydrophobicContact CB-CD2 4.05Å; P173-Y178 HydrophobicContact CB-CG 4.29Å; P173-Y182 HydrophobicContact CG-CD1 4.46Å; P173-Y182 HydrophobicContact CG-CE1 4.45Å
174	D	92.9	Very high	93.1	Very high	56 Å²	56	70.3 Å²	70.3	30%	0.299	36%	0.362	S	S	.	.			trans	-50.4	111.1	-179.3	177.8	-6.7	0	0	0	110.5	S176 K177 Y178	D174-S176 PolarHBondContact O-N 3.44Å; D174-S176 VanDerWaalsContact O-N 3.16Å; D174-S176 WeakPolarHBondContact OD1-CB 3.44Å; D174-S176 PolarHBondContact OD1-N 3.15Å; D174-S176 PolarHBondContact OD1-OG 2.88Å; D174-S176 PolarHBondContact OD2-OG 3.38Å; D174-K177 PolarHBondContact O-N 3.01Å; D174-K177 VanDerWaalsContact O-N 3.08Å; D174-K177 WeakPolarHBondContact OD2-CD 3.5Å; D174-K177 VanDerWaalsContact OD2-CE 3.24Å; D174-K177 WeakPolarHBondContact OD2-CE 3.33Å; D174-K177 IonicContact OD2-NZ 3.12Å; D174-K177 PolarHBondContact OD2-NZ 3.11Å; D174-K177 VanDerWaalsContact OD2-NZ 3.12Å; D174-Y178 HydrophobicContact CB-CD2 4.27Å; D174-Y178 PolarHBondContact O-N 3.03Å; D174-Y178 VanDerWaalsContact O-N 3.07Å
175	P	93.2	Very high	92.7	Very high	9 Å²	9	72.7 Å²	72.7	6%	0.058	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.3	-171.9	28.6	-35.3	0	0	0	112.3	Q164 N166 W168 V171 P173 K177 Y182	Q164-P175 PolarHBondContact NE2-O 3.32Å; N166-P175 PolarHBondContact ND2-O 3.48Å; W168-P175 HydrophobicContact CB-CB 3.82Å; W168-P175 WeakPolarHBondContact O-CB 3.47Å; W168-P175 WeakPolarHBondContact O-CG 3.21Å; V171-P175 HydrophobicContact CG2-CB 3.89Å; V171-P175 HydrophobicContact CG2-CG 3.8Å; P173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-K177 VanDerWaalsContact C-N 3.25Å; P175-K177 PolarHBondContact O-N 2.77Å; P175-Y182 HydrophobicContact CB-CD1 4.39Å; P175-Y182 HydrophobicContact CB-CE1 3.83Å
176	S	92.9	Very high	91.9	Very high	47 Å²	47	74.6 Å²	74.6	33%	0.329	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.2	175.8	71	0	0	0	0	113.9	D174	D174-S176 PolarHBondContact O-N 3.44Å; D174-S176 VanDerWaalsContact O-N 3.16Å; D174-S176 WeakPolarHBondContact OD1-CB 3.44Å; D174-S176 PolarHBondContact OD1-N 3.15Å; D174-S176 PolarHBondContact OD1-OG 2.88Å; D174-S176 PolarHBondContact OD2-OG 3.38Å
177	K	93.3	Very high	90.6	Very high	118 Å²	118	81.3 Å²	81.3	51%	0.513	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-30.9	-172.1	-65.3	178.6	-169.7	154.7	0	114.3	N162 D174 P175	N162-K177 WeakPolarHBondContact CB-O 3.46Å; D174-K177 PolarHBondContact O-N 3.01Å; D174-K177 VanDerWaalsContact O-N 3.08Å; D174-K177 WeakPolarHBondContact OD2-CD 3.5Å; D174-K177 VanDerWaalsContact OD2-CE 3.24Å; D174-K177 WeakPolarHBondContact OD2-CE 3.33Å; D174-K177 IonicContact OD2-NZ 3.12Å; D174-K177 PolarHBondContact OD2-NZ 3.11Å; D174-K177 VanDerWaalsContact OD2-NZ 3.12Å; P175-K177 VanDerWaalsContact C-N 3.25Å; P175-K177 PolarHBondContact O-N 2.77Å
178	Y	93.9	Very high	88.6	Confident	136 Å²	136	85.4 Å²	85.4	53%	0.533	46%	0.459	S	S	.	.			trans	-128.2	142.8	-171.2	-56.1	-75.1	0	0	0	110.3	P173 D174 Y182	P173-Y178 HydrophobicContact CB-CD2 4.05Å; P173-Y178 HydrophobicContact CB-CG 4.29Å; D174-Y178 HydrophobicContact CB-CD2 4.27Å; D174-Y178 PolarHBondContact O-N 3.03Å; D174-Y178 VanDerWaalsContact O-N 3.07Å; Y178-Y182 WeakPolarHBondContact O-CE1 3.35Å; Y178-Y182 PolarHBondContact O-OH 2.89Å
179	C	94.8	Very high	86.7	Confident	43 Å²	43	91.6 Å²	91.6	29%	0.291	49%	0.489	S	S	.	.			trans	-60.9	157.4	161.3	-61.6	0	0	0	0	110.7	C163	C163-C179 HydrophobicContact CB-CB 3.92Å; C163-C179 WeakPolarHBondContact CB-SG 3.41Å; C163-C179 PolarHBondContact N-SG 2.97Å; C163-C179 VanDerWaalsContact N-SG 3.41Å; C163-C179 WeakPolarHBondContact SG-CB 3.07Å; C163-C179 CovalentContact SG-SG 2.03Å; C163-C179 PolarHBondContact SG-SG 3.41Å
180	G	91.3	Very high	84.6	Confident	36 Å²	36	91 Å²	91	37%	0.371	49%	0.493	S	S	.	.			trans	-66.1	-167.7	172.3	0	0	0	0	0	114	Y182	G180-Y182 VanDerWaalsContact N-CZ 3.29Å; G180-Y182 PolarHBondContact N-OH 2.78Å
181	P	93.8	Very high	82.9	Confident	119 Å²	119	95.3 Å²	95.3	77%	0.773	52%	0.516	S	S	*	.			cis	-70.1	134.8	10	27.9	-35.2	0	0	0	112.3
182	Y	94.3	Very high	80.9	Confident	35 Å²	35	99.5 Å²	99.5	14%	0.137	54%	0.537	C	S	.	.			trans	-87.9	146.6	179.6	-61.9	-64.6	0	0	0	111.5	W168 V171 V172 P173 P175 Y178 G180	W168-Y182 HydrophobicContact CB-CD2 4Å; W168-Y182 HydrophobicContact CB-CE2 4.03Å; W168-Y182 HydrophobicContact CB-CG 4.36Å; W168-Y182 AromaticContact CD1-CD2 3.32Å; W168-Y182 AromaticContact CD1-CE2 3.13Å; W168-Y182 AromaticContact CD2-CD2 3.48Å; W168-Y182 HydrophobicContact CD2-CD2 3.48Å; W168-Y182 VanDerWaalsContact CD2-CD2 3.48Å; W168-Y182 HydrophobicContact CD2-CE2 4.13Å; W168-Y182 HydrophobicContact CD2-CG 4.12Å; W168-Y182 AromaticContact CE2-CD2 3.56Å; W168-Y182 HydrophobicContact CE3-CD2 4.27Å; W168-Y182 AromaticContact CG-CD2 3.32Å; W168-Y182 HydrophobicContact CG-CD2 3.32Å; W168-Y182 AromaticContact CG-CE2 3.5Å; W168-Y182 HydrophobicContact CG-CE2 3.5Å; W168-Y182 HydrophobicContact CG-CG 4.05Å; W168-Y182 HydrophobicContact CZ2-CD2 4.36Å; W168-Y182 AromaticContact NE1-CD2 3.43Å; W168-Y182 AromaticContact NE1-CE2 3.53Å; V171-Y182 HydrophobicContact CB-CD1 4.37Å; V171-Y182 HydrophobicContact CB-CG 4.38Å; V171-Y182 HydrophobicContact CG2-CD1 3.58Å; V171-Y182 HydrophobicContact CG2-CE1 4.37Å; V171-Y182 HydrophobicContact CG2-CG 3.75Å; V172-Y182 CarbonylContact O-C 3.48Å; V172-Y182 WeakPolarHBondContact O-CA 3.25Å; P173-Y182 HydrophobicContact CG-CD1 4.46Å; P173-Y182 HydrophobicContact CG-CE1 4.45Å; P175-Y182 HydrophobicContact CB-CD1 4.39Å; P175-Y182 HydrophobicContact CB-CE1 3.83Å; Y178-Y182 WeakPolarHBondContact O-CE1 3.35Å; Y178-Y182 PolarHBondContact O-OH 2.89Å; G180-Y182 VanDerWaalsContact N-CZ 3.29Å; G180-Y182 PolarHBondContact N-OH 2.78Å
183	K	93.8	Very high	78.6	Confident	143 Å²	143	101.6 Å²	101.6	62%	0.622	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.6	148.1	172	-64.9	-177.1	-177.9	178.6	0	109.8	V171 V172 L185	V171-K183 CarbonylContact C-O 3.54Å; V171-K183 WeakPolarHBondContact CA-O 3.47Å; V171-K183 VanDerWaalsContact CB-O 3.31Å; V171-K183 WeakPolarHBondContact CB-O 3.19Å; V172-K183 HydrophobicContact CG2-CB 4.22Å; V172-K183 PolarHBondContact N-O 3.22Å; V172-K183 PolarHBondContact O-N 2.06Å; K183-L185 PolarHBondContact O-N 3.37Å
184	P	91.9	Very high	76.3	Confident	108 Å²	108	107 Å²	107	70%	0.701	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-54.7	143.2	173.7	-23.8	33.5	0	0	0	111.2	G186	P184-G186 PolarHBondContact O-N 2.99Å; P184-G186 VanDerWaalsContact O-N 3.13Å
185	L	86	Confident	74	Confident	96 Å²	96	110.3 Å²	110.3	50%	0.503	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-57.3	118.1	165	-74.9	160.2	0	0	0	108.3	N170 V172 K183 I187	N170-L185 HydrophobicContact CB-CD1 4.27Å; N170-L185 PolarHBondContact O-N 3.4Å; V172-L185 HydrophobicContact CG1-CD2 3.41Å; V172-L185 VanDerWaalsContact CG1-CD2 3.41Å; V172-L185 HydrophobicContact CG1-CG 4.19Å; K183-L185 PolarHBondContact O-N 3.37Å; L185-I187 PolarHBondContact O-N 3.43Å
186	G	76.5	Confident	71.6	Confident	66 Å²	66	118.5 Å²	118.5	68%	0.68	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-56.9	130.6	170.6	0	0	0	0	0	109	P184 L188	P184-G186 PolarHBondContact O-N 2.99Å; P184-G186 VanDerWaalsContact O-N 3.13Å; G186-L188 PolarHBondContact O-N 2.84Å
187	I	64.9	Low	69.6	Low	162 Å²	162	121.8 Å²	121.8	83%	0.831	64%	0.635	S	S	*	*	S	Bend	trans	-41	99.7	-169.5	-56.6	170.2	0	0	0	111.8	L185	L185-I187 PolarHBondContact O-N 3.43Å
188	L	53.2	Low	67.2	Low	155 Å²	155	120 Å²	120	81%	0.812	63%	0.634	S	S	*	*			trans	-132.8	112.7	158	-76.6	174.2	0	0	0	106.8	G186 Q190	G186-L188 PolarHBondContact O-N 2.84Å; L188-Q190 PolarHBondContact O-N 3.49Å
189	K	53.8	Low	64.9	Low	208 Å²	208	120.8 Å²	120.8	90%	0.904	64%	0.642	S	S	*	*			trans	-55.4	99.8	169.9	-69.5	176.2	176.5	179.6	0	108.4
190	Q	47.9	Very low	62.6	Low	166 Å²	166	125.4 Å²	125.4	78%	0.776	67%	0.665	S	S	*	*			trans	-136.8	141.3	161.1	-78.5	-171.6	-25.2	0	0	108.3	L188 I192	L188-Q190 PolarHBondContact O-N 3.49Å; Q190-I192 WeakPolarHBondContact O-CG1 3.2Å; Q190-I192 PolarHBondContact O-N 3.06Å
191	D	53.4	Low	60.6	Low	165 Å²	165	125.3 Å²	125.3	88%	0.882	66%	0.655	S	S	*	*			trans	-51.8	102.5	178.7	-64.9	-49.8	0	0	0	109.3	P193	D191-P193 VanDerWaalsContact O-CD 3.29Å; D191-P193 WeakPolarHBondContact O-CD 3.38Å
192	I	52	Low	58.7	Low	105 Å²	105	122 Å²	122	54%	0.538	63%	0.627	S	S	.	*			trans	-67.7	119	-176.6	-60.8	176.5	0	0	0	106.9	N170 Q190 I194	N170-I192 WeakPolarHBondContact OD1-CG2 3.41Å; Q190-I192 WeakPolarHBondContact O-CG1 3.2Å; Q190-I192 PolarHBondContact O-N 3.06Å; I192-I194 PolarHBondContact O-N 2.86Å
193	P	44.4	Very low	56.9	Low	111 Å²	111	122.7 Å²	122.7	72%	0.721	65%	0.645	S	S	*	*			trans	-59.8	125.2	171	-17.2	30.2	0	0	0	108.2	D191 H195	D191-P193 VanDerWaalsContact O-CD 3.29Å; D191-P193 WeakPolarHBondContact O-CD 3.38Å; P193-H195 PolarHBondContact O-N 3.23Å
194	I	44.1	Very low	55.5	Low	164 Å²	164	116.3 Å²	116.3	84%	0.841	62%	0.618	S	S	*	*			trans	-60.3	105	173	-59.6	171.7	0	0	0	106.6	I192 K196	I192-I194 PolarHBondContact O-N 2.86Å; I194-K196 PolarHBondContact O-N 3.49Å
195	H	44.7	Very low	54.9	Low	125 Å²	125	113.2 Å²	113.2	58%	0.579	60%	0.595	S	S	*	*			trans	-62.6	113.1	172.8	-129.1	-74.5	0	0	0	107.1	P193 E197	P193-H195 PolarHBondContact O-N 3.23Å; H195-E197 PolarHBondContact O-N 3.42Å
196	K	43.6	Very low	55	Low	181 Å²	181	108.6 Å²	108.6	79%	0.787	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-67.5	117.9	166.1	-92	-178	171.1	-176.2	0	106.7	I194 T198	I194-K196 PolarHBondContact O-N 3.49Å; K196-T198 PolarHBondContact O-N 2.59Å
197	E	49.1	Very low	56.1	Low	116 Å²	116	105.5 Å²	105.5	54%	0.542	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-53.8	123.4	165.4	-73.2	168.8	-178.3	0	0	108.1	H195 R202	H195-E197 PolarHBondContact O-N 3.42Å; E197-R202 PolarHBondContact O-NH2 2.93Å
198	T	44.8	Very low	57.7	Low	80 Å²	80	97.8 Å²	97.8	49%	0.491	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.5	142.7	177.2	45.4	0	0	0	0	110	K196 D200 N201	K196-T198 PolarHBondContact O-N 2.59Å; T198-D200 PolarHBondContact O-N 3.26Å; T198-D200 VanDerWaalsContact O-N 3.13Å; T198-N201 PolarHBondContact O-N 2.94Å
199	E	45	Very low	59.8	Low	152 Å²	152	90.4 Å²	90.4	71%	0.71	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-58	-26.9	-173.3	-70.4	177.2	162.9	0	0	114.1	N201	E199-N201 PolarHBondContact O-N 2.79Å
200	D	45.3	Very low	62	Low	141 Å²	141	80.5 Å²	80.5	75%	0.754	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-76	-5.6	-176.9	-156.1	24.7	0	0	0	114.1	T198	T198-D200 PolarHBondContact O-N 3.26Å; T198-D200 VanDerWaalsContact O-N 3.13Å
201	N	50.4	Low	64.4	Low	33 Å²	33	72.6 Å²	72.6	18%	0.176	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-105.8	2.3	-172.5	-109.9	16.4	0	0	0	115	P165 T198 E199	P165-N201 WeakPolarHBondContact CB-ND2 3.46Å; P165-N201 WeakPolarHBondContact CG-OD1 3.42Å; T198-N201 PolarHBondContact O-N 2.94Å; E199-N201 PolarHBondContact O-N 2.79Å
202	R	53.3	Low	66.6	Low	50 Å²	50	64.8 Å²	64.8	19%	0.189	34%	0.339	C	S	.	.	S	Bend	trans	-96.8	-0.1	-160	-62.5	-166.2	-160.7	155.5	10.7	115.9	E197 E299 F301	E197-R202 PolarHBondContact O-NH2 2.93Å; R202-E299 PolarHBondContact NH1-O 2.89Å; R202-F301 HydrophobicContact CB-CB 4.49Å; R202-F301 WeakPolarHBondContact O-CB 3.23Å
203	G	56.2	Low	68.8	Low	49 Å²	49	60.9 Å²	60.9	51%	0.505	32%	0.318	S	S	.	.			trans	-143.1	125.2	-179.1	0	0	0	0	0	113.6
204	H	65.6	Low	71.2	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.046	31%	0.313	C	S	.	.			trans	-119.2	140.2	156.3	69.9	101.4	0	0	0	108.2	T206 T224 I227 G258	H204-T206 PolarHBondContact CE1-OG1 2.91Å; H204-T206 PolarHBondContact ND1-OG1 2.94Å; H204-T224 PolarHBondContact ND1-OG1 2.86Å; H204-I227 HydrophobicContact CB-CG2 4.12Å; H204-I227 WeakPolarHBondContact CD2-CG2 3.5Å; H204-G258 PolarHBondContact CD2-O 2.99Å; H204-G258 PolarHBondContact NE2-O 2.9Å
205	D	78.3	Confident	73.7	Confident	42 Å²	42	58.9 Å²	58.9	23%	0.225	30%	0.3	C	S	.	.			trans	-77.7	152.7	176.4	-59.3	-30.2	0	0	0	108.1	W34 D70 S72 T224	W34-D205 HydrophobicContact CD2-CB 4.29Å; W34-D205 VanDerWaalsContact CE2-OD1 3.29Å; W34-D205 HydrophobicContact CG-CB 4.39Å; W34-D205 WeakPolarHBondContact CH2-OD1 3.12Å; W34-D205 HydrophobicContact CZ2-CB 4.34Å; W34-D205 WeakPolarHBondContact CZ2-OD1 3.13Å; D70-D205 VanDerWaalsContact OD2-CB 3.31Å; D70-D205 WeakPolarHBondContact OD2-CB 3.38Å; S72-D205 WeakPolarHBondContact CB-O 3.23Å; S72-D205 WeakPolarHBondContact OG-CB 3.27Å; S72-D205 PolarHBondContact OG-O 2.74Å; D205-T224 PolarHBondContact O-OG1 3.23Å
206	T	89.3	Confident	76.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.			trans	-145.3	132.9	-178.1	-70.7	0	0	0	0	105.3	T33 W34 H204 G208 T222 T224 S238 T257	T33-T206 PolarHBondContact OG1-O 2.94Å; W34-T206 VanDerWaalsContact CD1-O 3.26Å; W34-T206 PolarHBondContact NE1-O 2.96Å; H204-T206 PolarHBondContact CE1-OG1 2.91Å; H204-T206 PolarHBondContact ND1-OG1 2.94Å; T206-G208 PolarHBondContact O-N 2.84Å; T206-T222 HydrophobicContact CG2-CG2 4.16Å; T206-T224 WeakPolarHBondContact OG1-CB 3.42Å; T206-T224 PolarHBondContact OG1-OG1 2.83Å; T206-S238 WeakPolarHBondContact CG2-OG 3.35Å; T206-T257 PolarHBondContact N-OG1 3.12Å; T206-T257 VanDerWaalsContact N-OG1 3.12Å; T206-T257 PolarHBondContact O-OG1 2.87Å
207	I	98.3	Very high	78.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.3	167.3	-173.8	165.6	0	0	0	108.1	N32 T33 F36 A39 C64 V73 M209 T222 S223	N32-I207 HydrophobicContact CB-CD1 4.36Å; N32-I207 HydrophobicContact CB-CG1 4.24Å; T33-I207 WeakPolarHBondContact OG1-CA 3.41Å; F36-I207 HydrophobicContact CD2-CB 4.07Å; F36-I207 HydrophobicContact CD2-CD1 4.14Å; F36-I207 HydrophobicContact CD2-CG1 4.19Å; F36-I207 HydrophobicContact CE2-CB 4.08Å; A39-I207 HydrophobicContact CB-CD1 3.5Å; C64-I207 HydrophobicContact CB-CB 4.41Å; C64-I207 HydrophobicContact CB-CD1 3.54Å; C64-I207 HydrophobicContact CB-CG2 4.12Å; V73-I207 HydrophobicContact CB-CG2 4.46Å; V73-I207 HydrophobicContact CG1-CG2 3.66Å; V73-I207 HydrophobicContact CG2-CB 4.17Å; V73-I207 HydrophobicContact CG2-CG2 3.92Å; I207-M209 HydrophobicContact CD1-CE 4.09Å; I207-T222 CarbonylContact O-C 3.48Å; I207-T222 WeakPolarHBondContact O-CA 3.44Å; I207-S223 WeakPolarHBondContact CG2-O 3.45Å; I207-S223 PolarHBondContact N-O 3.5Å; I207-S223 PolarHBondContact O-N 3.03Å
208	G	98.6	Very high	81.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.1	164.5	0	0	0	0	0	108.2	N32 T33 T206 G221	N32-G208 CarbonylContact C-O 3.59Å; N32-G208 WeakPolarHBondContact CA-O 3.38Å; N32-G208 WeakPolarHBondContact CB-O 3.29Å; T33-G208 PolarHBondContact N-O 2.87Å; T33-G208 PolarHBondContact OG1-N 2.91Å; T206-G208 PolarHBondContact O-N 2.84Å; G208-G221 CarbonylContact C-O 3.57Å; G208-G221 WeakPolarHBondContact CA-O 3.35Å
209	M	98.9	Very high	83.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.2	-175	-175.1	164.9	-70.8	0	0	110.6	L31 N32 A39 A43 V57 I207 V211 A220 G221	L31-M209 CarbonylContact O-C 3.54Å; L31-M209 VanDerWaalsContact O-CA 3.31Å; L31-M209 WeakPolarHBondContact O-CA 3.49Å; L31-M209 WeakPolarHBondContact O-CG 3.21Å; N32-M209 HydrophobicContact CB-CB 4.41Å; N32-M209 HydrophobicContact CB-CE 3.89Å; A39-M209 HydrophobicContact CB-CE 4.16Å; A43-M209 HydrophobicContact CB-CE 4.13Å; A43-M209 HydrophobicContact CB-SD 3.63Å; V57-M209 HydrophobicContact CG2-CG 4.38Å; I207-M209 HydrophobicContact CD1-CE 4.09Å; M209-V211 HydrophobicContact CG-CG2 4.07Å; M209-V211 HydrophobicContact SD-CG2 4.37Å; M209-A220 CarbonylContact O-C 3.5Å; M209-A220 VanDerWaalsContact O-CA 3.22Å; M209-A220 WeakPolarHBondContact O-CA 3.45Å; M209-G221 PolarHBondContact N-O 2.03Å; M209-G221 PolarHBondContact O-N 2.77Å
210	V	98.9	Very high	86.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.7	174.6	170.4	0	0	0	0	108.5	L31 A220 A253 A255 I305 A307	L31-V210 HydrophobicContact CB-CB 4.3Å; L31-V210 PolarHBondContact N-O 2.92Å; L31-V210 PolarHBondContact O-N 3.2Å; V210-A220 HydrophobicContact CG2-CB 4.31Å; V210-A253 HydrophobicContact CB-CB 4.37Å; V210-A253 HydrophobicContact CG1-CB 3.5Å; V210-A253 VanDerWaalsContact CG1-CB 3.5Å; V210-A253 HydrophobicContact CG2-CB 4.06Å; V210-A255 HydrophobicContact CG2-CB 4.09Å; V210-I305 HydrophobicContact CG2-CD1 4.45Å; V210-A307 HydrophobicContact CG1-CB 3.92Å
211	V	98.9	Very high	88.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.5	178.4	-180	0	0	0	0	110.1	L29 V30 L47 A53 A56 V57 M209 I218 A219	L29-V211 CarbonylContact O-C 3.55Å; L29-V211 WeakPolarHBondContact O-CA 3.43Å; V30-V211 HydrophobicContact CG1-CG2 4.33Å; V30-V211 HydrophobicContact CG2-CG1 4.39Å; V30-V211 HydrophobicContact CG2-CG2 4.27Å; L47-V211 HydrophobicContact CD1-CG1 3.84Å; L47-V211 HydrophobicContact CD2-CG1 4.19Å; L47-V211 HydrophobicContact CG-CG1 4.47Å; A53-V211 HydrophobicContact CB-CB 4.38Å; A53-V211 HydrophobicContact CB-CG1 4.03Å; A56-V211 HydrophobicContact CB-CG1 3.98Å; A56-V211 HydrophobicContact CB-CG2 4Å; V57-V211 HydrophobicContact CG2-CB 4.02Å; V57-V211 HydrophobicContact CG2-CG2 3.62Å; M209-V211 HydrophobicContact CG-CG2 4.07Å; M209-V211 HydrophobicContact SD-CG2 4.37Å; V211-I218 WeakPolarHBondContact O-CA 3.14Å; V211-A219 PolarHBondContact N-O 3.15Å; V211-A219 PolarHBondContact O-N 2.74Å
212	I	98.6	Very high	91.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111	168.2	-52.5	-176.3	0	0	0	107.9	L27 P28 L29 I218 A307 N308	L27-I212 HydrophobicContact CD1-CG2 3.73Å; L27-I212 HydrophobicContact CD2-CB 3.79Å; L27-I212 HydrophobicContact CD2-CG2 3.45Å; L27-I212 VanDerWaalsContact CD2-CG2 3.45Å; L27-I212 HydrophobicContact CG-CG2 4.22Å; P28-I212 CarbonylContact C-O 3.59Å; P28-I212 WeakPolarHBondContact CA-O 3.44Å; P28-I212 WeakPolarHBondContact CB-O 3.28Å; L29-I212 HydrophobicContact CB-CB 4.27Å; L29-I212 HydrophobicContact CD2-CD1 4.32Å; L29-I212 PolarHBondContact N-O 2.83Å; L29-I212 PolarHBondContact O-N 3.34Å; I212-I218 HydrophobicContact CB-CG1 4.45Å; I212-I218 HydrophobicContact CD1-CD1 4.12Å; I212-I218 HydrophobicContact CG1-CD1 4.11Å; I212-I218 HydrophobicContact CG1-CG1 4.06Å; I212-I218 HydrophobicContact CG1-CG2 4.3Å; I212-I218 HydrophobicContact CG2-CD1 4.43Å; I212-I218 HydrophobicContact CG2-CG1 4.1Å; I212-A307 HydrophobicContact CD1-CB 3.82Å; I212-N308 WeakPolarHBondContact CD1-O 3.16Å
213	H	98.2	Very high	93.3	Very high	23 Å²	23	24.5 Å²	24.5	11%	0.106	14%	0.135	C	C	.	.			trans	-71.3	157.6	177.7	-174.9	-117.3	0	0	0	111.4	A53 T215 G216 R217	A53-H213 HydrophobicContact CB-CB 4.25Å; H213-T215 PolarHBondContact ND1-N 2.66Å; H213-T215 PolarHBondContact ND1-OG1 2.86Å; H213-T215 PolarHBondContact O-N 3.46Å; H213-G216 PolarHBondContact O-N 2.65Å; H213-R217 HydrophobicContact CB-CB 4.32Å; H213-R217 WeakPolarHBondContact CB-O 3.43Å; H213-R217 PolarHBondContact N-O 3.33Å
214	K	96.3	Very high	95.3	Very high	143 Å²	143	22.1 Å²	22.1	62%	0.622	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.6	178.6	68.9	-173.4	174.5	-173.7	0	114.6	G216	K214-G216 VanDerWaalsContact C-N 3.34Å
215	T	96.3	Very high	96.8	Very high	91 Å²	91	21.7 Å²	21.7	56%	0.558	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	3.2	175.8	62.1	0	0	0	0	113.2	H213 R217	H213-T215 PolarHBondContact ND1-N 2.66Å; H213-T215 PolarHBondContact ND1-OG1 2.86Å; H213-T215 PolarHBondContact O-N 3.46Å; T215-R217 VanDerWaalsContact C-N 3.35Å; T215-R217 WeakPolarHBondContact OG1-CG 3.26Å
216	G	96.3	Very high	97.6	Very high	29 Å²	29	19.7 Å²	19.7	30%	0.299	10%	0.099	S	C	.	.	S	Bend	trans	80.1	10.8	-175.8	0	0	0	0	0	114.8	H213 K214	H213-G216 PolarHBondContact O-N 2.65Å; K214-G216 VanDerWaalsContact C-N 3.34Å
217	R	98.4	Very high	97.9	Very high	124 Å²	124	20.3 Å²	20.3	47%	0.468	10%	0.102	S	C	.	.			trans	-82.3	132.7	174.5	-61.3	-69	164.8	-158.8	1.9	109.7	T95 H213 T215 D249	T95-R217 VanDerWaalsContact CG2-NH1 3.27Å; T95-R217 WeakPolarHBondContact OG1-CD 3.48Å; T95-R217 PolarHBondContact OG1-NH1 2.85Å; T95-R217 VanDerWaalsContact OG1-NH1 3.09Å; H213-R217 HydrophobicContact CB-CB 4.32Å; H213-R217 WeakPolarHBondContact CB-O 3.43Å; H213-R217 PolarHBondContact N-O 3.33Å; T215-R217 VanDerWaalsContact C-N 3.35Å; T215-R217 WeakPolarHBondContact OG1-CG 3.26Å; R217-D249 VanDerWaalsContact CD-OD2 3.29Å; R217-D249 WeakPolarHBondContact CD-OD2 3.28Å; R217-D249 IonicContact CZ-OD2 2.76Å; R217-D249 IonicContact NE-OD2 3.25Å; R217-D249 IonicContact NH1-OD2 3.12Å; R217-D249 PolarHBondContact NH1-OD2 2.84Å
218	I	98.8	Very high	97.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	-171.8	-53.9	-171.1	0	0	0	109.4	G94 V211 I212 A247 D249 A253 V309	G94-I218 PolarHBondContact N-O 2.88Å; V211-I218 WeakPolarHBondContact O-CA 3.14Å; I212-I218 HydrophobicContact CB-CG1 4.45Å; I212-I218 HydrophobicContact CD1-CD1 4.12Å; I212-I218 HydrophobicContact CG1-CD1 4.11Å; I212-I218 HydrophobicContact CG1-CG1 4.06Å; I212-I218 HydrophobicContact CG1-CG2 4.3Å; I212-I218 HydrophobicContact CG2-CD1 4.43Å; I212-I218 HydrophobicContact CG2-CG1 4.1Å; I218-A247 HydrophobicContact CG2-CB 3.94Å; I218-D249 WeakPolarHBondContact CB-OD1 3.09Å; I218-D249 PolarHBondContact N-OD1 2.71Å; I218-A253 HydrophobicContact CG2-CB 3.42Å; I218-A253 VanDerWaalsContact CG2-CB 3.42Å; I218-V309 HydrophobicContact CD1-CG1 4.16Å
219	A	98.9	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.2	168.1	0	0	0	0	0	109.8	A53 L54 V57 M92 V211	A53-A219 HydrophobicContact CB-CB 3.62Å; L54-A219 HydrophobicContact CD2-CB 4.02Å; L54-A219 HydrophobicContact CG-CB 4.29Å; V57-A219 HydrophobicContact CG2-CB 3.82Å; M92-A219 VanDerWaalsContact O-CA 3.28Å; M92-A219 WeakPolarHBondContact O-CA 3.14Å; M92-A219 WeakPolarHBondContact O-CB 3.22Å; V211-A219 PolarHBondContact N-O 3.15Å; V211-A219 PolarHBondContact O-N 2.74Å
220	A	98.9	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.2	173.5	0	0	0	0	0	110.4	M92 M209 V210 A245 A247 A253	M92-A220 PolarHBondContact N-O 3.09Å; M92-A220 PolarHBondContact O-N 2.87Å; M92-A220 VanDerWaalsContact O-N 3.13Å; M209-A220 CarbonylContact O-C 3.5Å; M209-A220 VanDerWaalsContact O-CA 3.22Å; M209-A220 WeakPolarHBondContact O-CA 3.45Å; V210-A220 HydrophobicContact CG2-CB 4.31Å; A220-A245 HydrophobicContact CB-CB 3.96Å; A220-A247 HydrophobicContact CB-CB 3.99Å; A220-A253 HydrophobicContact CB-CB 4.15Å
221	G	98.8	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	167.3	178.3	0	0	0	0	0	112.8	M90 G208 M209	M90-G221 CarbonylContact O-C 3.47Å; M90-G221 WeakPolarHBondContact O-CA 3.45Å; G208-G221 CarbonylContact C-O 3.57Å; G208-G221 WeakPolarHBondContact CA-O 3.35Å; M209-G221 PolarHBondContact N-O 2.03Å; M209-G221 PolarHBondContact O-N 2.77Å
222	T	98.9	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.2	-176.2	26.2	0	0	0	0	110.1	A89 M90 T206 I207 S238 A245	A89-T222 CarbonylContact C-O 3.59Å; A89-T222 WeakPolarHBondContact CA-O 3.47Å; A89-T222 WeakPolarHBondContact CB-O 3.5Å; M90-T222 VanDerWaalsContact CG-OG1 3.29Å; M90-T222 WeakPolarHBondContact CG-OG1 3.42Å; M90-T222 PolarHBondContact N-O 3.39Å; M90-T222 PolarHBondContact O-N 3.14Å; T206-T222 HydrophobicContact CG2-CG2 4.16Å; I207-T222 CarbonylContact O-C 3.48Å; I207-T222 WeakPolarHBondContact O-CA 3.44Å; T222-S238 WeakPolarHBondContact CB-O 3.36Å; T222-S238 PolarHBondContact OG1-O 2.89Å; T222-A245 HydrophobicContact CG2-CB 4.16Å
223	S	98.8	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.5	170.7	-177.2	0	0	0	0	111.4	E65 D88 I207	E65-S223 WeakPolarHBondContact CG-OG 3.42Å; E65-S223 VanDerWaalsContact OE1-CB 3.3Å; E65-S223 WeakPolarHBondContact OE1-CB 3.16Å; E65-S223 PolarHBondContact OE1-OG 3.14Å; D88-S223 CarbonylContact O-C 3.58Å; D88-S223 WeakPolarHBondContact O-CA 3.36Å; I207-S223 WeakPolarHBondContact CG2-O 3.45Å; I207-S223 PolarHBondContact N-O 3.5Å; I207-S223 PolarHBondContact O-N 3.03Å
224	T	98.3	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161.9	177.3	-171	0	0	0	0	111.2	S72 L87 D88 H204 D205 T206 G226 S238	S72-T224 WeakPolarHBondContact O-CA 3.4Å; S72-T224 PolarHBondContact O-OG1 3.24Å; L87-T224 WeakPolarHBondContact CA-O 3.47Å; D88-T224 HydrophobicContact CB-CG2 3.88Å; D88-T224 PolarHBondContact N-O 2.84Å; D88-T224 PolarHBondContact O-N 2.92Å; H204-T224 PolarHBondContact ND1-OG1 2.86Å; D205-T224 PolarHBondContact O-OG1 3.23Å; T206-T224 WeakPolarHBondContact OG1-CB 3.42Å; T206-T224 PolarHBondContact OG1-OG1 2.83Å; T224-G226 PolarHBondContact OG1-N 2.97Å; T224-S238 WeakPolarHBondContact CG2-OG 3.22Å
225	N	96.4	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.			trans	-97.7	3.9	161	60.2	33	0	0	0	113.3	G71 S72 G74 G77 S78 T85 T86 L87 K230	G71-N225 PolarHBondContact O-ND2 2.92Å; S72-N225 VanDerWaalsContact C-CG 3.41Å; S72-N225 VanDerWaalsContact C-ND2 3.35Å; S72-N225 VanDerWaalsContact C-OD1 3.24Å; S72-N225 WeakPolarHBondContact CA-OD1 3.08Å; S72-N225 VanDerWaalsContact O-CG 3.25Å; S72-N225 PolarHBondContact O-N 3.31Å; S72-N225 PolarHBondContact O-OD1 3.42Å; G74-N225 WeakPolarHBondContact O-CB 3.43Å; G74-N225 PolarHBondContact O-ND2 2.99Å; G77-N225 VanDerWaalsContact CA-ND2 3.33Å; G77-N225 WeakPolarHBondContact CA-ND2 3.37Å; S78-N225 WeakPolarHBondContact CB-OD1 3.45Å; S78-N225 PolarHBondContact OG-OD1 3.11Å; S78-N225 VanDerWaalsContact OG-OD1 3.1Å; T85-N225 HydrophobicContact CG2-CB 3.98Å; T86-N225 WeakPolarHBondContact O-CA 3.26Å; L87-N225 HydrophobicContact CD2-CB 3.57Å; N225-K230 PolarHBondContact O-NZ 3.25Å
226	G	95.3	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.			trans	79	-167.3	173.8	0	0	0	0	0	114.3	S78 T224	S78-G226 VanDerWaalsContact CB-O 3.23Å; S78-G226 WeakPolarHBondContact CB-O 3.49Å; S78-G226 PolarHBondContact OG-O 3.07Å; S78-G226 VanDerWaalsContact OG-O 3.1Å; T224-G226 PolarHBondContact OG1-N 2.97Å
227	I	94.2	Very high	97.2	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.072	11%	0.112	C	C	.	.	S	Bend	trans	-74	143.6	176.5	60.8	-167	0	0	0	111.9	Y167 H204 K230	Y167-I227 HydrophobicContact CD1-CD1 4.04Å; Y167-I227 HydrophobicContact CD2-CD1 4.39Å; Y167-I227 HydrophobicContact CE1-CD1 3.55Å; Y167-I227 HydrophobicContact CE1-CG1 4.4Å; Y167-I227 HydrophobicContact CE2-CD1 3.95Å; Y167-I227 HydrophobicContact CE2-CG1 4.13Å; Y167-I227 HydrophobicContact CG-CD1 4.44Å; Y167-I227 VanDerWaalsContact CZ-CD1 3.49Å; H204-I227 HydrophobicContact CB-CG2 4.12Å; H204-I227 WeakPolarHBondContact CD2-CG2 3.5Å; I227-K230 HydrophobicContact CD1-CB 4.34Å; I227-K230 HydrophobicContact CG1-CB 3.63Å; I227-K230 WeakPolarHBondContact O-CB 3.49Å; I227-K230 PolarHBondContact O-N 3.22Å
228	K	94.4	Very high	97.2	Very high	107 Å²	107	17 Å²	17	47%	0.465	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	138.9	173	-61.8	174.6	-176.9	168.3	0	110.4	S78 Y167 K230	S78-K228 WeakPolarHBondContact OG-CG 3.46Å; Y167-K228 WeakPolarHBondContact CE2-O 3.34Å; Y167-K228 PolarHBondContact OH-O 3.28Å; K228-K230 PolarHBondContact O-N 3.2Å
229	F	95.5	Very high	97.2	Very high	11 Å²	11	16.9 Å²	16.9	5%	0.048	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	26.3	176.2	-38.9	-55.7	0	0	0	113.7	P79 W158 Y167	P79-F229 HydrophobicContact CG-CE1 4.34Å; P79-F229 VanDerWaalsContact O-CA 3.31Å; P79-F229 WeakPolarHBondContact O-CA 3.35Å; P79-F229 PolarHBondContact O-N 2.84Å; W158-F229 HydrophobicContact CB-CD1 3.98Å; W158-F229 HydrophobicContact CB-CD2 4.39Å; W158-F229 HydrophobicContact CB-CE1 3.54Å; W158-F229 HydrophobicContact CB-CE2 3.99Å; W158-F229 HydrophobicContact CB-CG 4.39Å; W158-F229 HydrophobicContact CB-CZ 3.54Å; W158-F229 AromaticContact CD1-CD1 3.98Å; W158-F229 AromaticContact CD1-CD2 3.26Å; W158-F229 AromaticContact CD1-CE2 3.51Å; W158-F229 AromaticContact CD1-CG 3.52Å; W158-F229 AromaticContact CD1-CZ 3.98Å; W158-F229 HydrophobicContact CD2-CB 4.22Å; W158-F229 AromaticContact CD2-CD1 3.84Å; W158-F229 HydrophobicContact CD2-CD1 3.84Å; W158-F229 HydrophobicContact CD2-CD2 4.41Å; W158-F229 HydrophobicContact CD2-CE1 4.34Å; W158-F229 AromaticContact CD2-CG 3.88Å; W158-F229 HydrophobicContact CD2-CG 3.88Å; W158-F229 AromaticContact CE2-CG 3.8Å; W158-F229 HydrophobicContact CE3-CD1 4.36Å; W158-F229 HydrophobicContact CG-CB 4.48Å; W158-F229 AromaticContact CG-CD1 3.68Å; W158-F229 HydrophobicContact CG-CD1 3.68Å; W158-F229 AromaticContact CG-CD2 3.81Å; W158-F229 HydrophobicContact CG-CD2 3.81Å; W158-F229 AromaticContact CG-CE1 3.76Å; W158-F229 HydrophobicContact CG-CE1 3.76Å; W158-F229 AromaticContact CG-CE2 3.88Å; W158-F229 HydrophobicContact CG-CE2 3.88Å; W158-F229 AromaticContact CG-CG 3.7Å; W158-F229 HydrophobicContact CG-CG 3.7Å; W158-F229 AromaticContact CG-CZ 3.86Å; W158-F229 HydrophobicContact CG-CZ 3.86Å; W158-F229 HydrophobicContact CZ2-CB 4Å; W158-F229 AromaticContact NE1-CD2 3.55Å; W158-F229 AromaticContact NE1-CG 3.54Å; Y167-F229 WeakPolarHBondContact CD2-O 3.46Å; Y167-F229 WeakPolarHBondContact CE2-O 3.29Å
230	K	95.6	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-52.2	149	173.5	65.4	-167.1	178.3	-172.7	0	110.2	D80 E81 T86 N225 I227 K228 H232 R234	D80-K230 WeakPolarHBondContact CA-O 3.3Å; D80-K230 HydrophobicContact CB-CG 3.82Å; D80-K230 WeakPolarHBondContact CB-O 3.31Å; E81-K230 PolarHBondContact N-O 3.46Å; T86-K230 PolarHBondContact O-NZ 2.8Å; T86-K230 VanDerWaalsContact OG1-CE 3.26Å; T86-K230 WeakPolarHBondContact OG1-CE 3.11Å; T86-K230 PolarHBondContact OG1-NZ 2.82Å; N225-K230 PolarHBondContact O-NZ 3.25Å; I227-K230 HydrophobicContact CD1-CB 4.34Å; I227-K230 HydrophobicContact CG1-CB 3.63Å; I227-K230 WeakPolarHBondContact O-CB 3.49Å; I227-K230 PolarHBondContact O-N 3.22Å; K228-K230 PolarHBondContact O-N 3.2Å; K230-H232 PolarHBondContact O-N 3.36Å; K230-R234 HydrophobicContact CB-CB 3.97Å; K230-R234 HydrophobicContact CB-CG 4.3Å; K230-R234 HydrophobicContact CD-CB 4.41Å; K230-R234 HydrophobicContact CG-CB 4.31Å
231	I	96.4	Very high	97.1	Very high	49 Å²	49	20.5 Å²	20.5	25%	0.251	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-58.1	135.7	169.7	-62.2	176.2	0	0	0	107.5	W168 G233 R234	W168-I231 HydrophobicContact CD2-CD1 3.76Å; W168-I231 HydrophobicContact CD2-CG1 4.34Å; W168-I231 HydrophobicContact CE3-CD1 4.14Å; W168-I231 HydrophobicContact CG-CD1 4.15Å; W168-I231 HydrophobicContact CH2-CD1 4.38Å; W168-I231 HydrophobicContact CH2-CG2 4.15Å; W168-I231 HydrophobicContact CZ2-CD1 4.03Å; W168-I231 HydrophobicContact CZ2-CG1 4.13Å; W168-I231 HydrophobicContact CZ2-CG2 3.65Å; W168-I231 HydrophobicContact CZ3-CD1 4.43Å; I231-G233 PolarHBondContact O-N 3Å; I231-R234 WeakPolarHBondContact O-CB 2.85Å; I231-R234 PolarHBondContact O-N 3.09Å
232	H	95.5	Very high	97.1	Very high	68 Å²	68	20.6 Å²	20.6	32%	0.315	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.7	-179.9	-177.1	70.4	0	0	0	110.7	D80 L82 E84 K230	D80-H232 IonicContact OD2-CE1 3Å; D80-H232 IonicContact OD2-CG 2.68Å; D80-H232 IonicContact OD2-ND1 3.84Å; D80-H232 PolarHBondContact OD2-ND1 3.27Å; L82-H232 HydrophobicContact CD1-CB 3.95Å; L82-H232 HydrophobicContact CG-CB 4.21Å; E84-H232 IonicContact OE2-CE1 2.71Å; K230-H232 PolarHBondContact O-N 3.36Å
233	G	96.6	Very high	97.1	Very high	37 Å²	37	20.6 Å²	20.6	38%	0.381	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	4.2	-174.8	0	0	0	0	0	115.9	I231 V235	I231-G233 PolarHBondContact O-N 3Å; G233-V235 PolarHBondContact O-N 3.18Å
234	R	97.6	Very high	97.1	Very high	29 Å²	29	20.6 Å²	20.6	11%	0.109	11%	0.114	C	C	.	.			trans	-66.8	127.7	172.7	179.7	-84.5	-170.5	174.2	4.8	110.2	K230 I231 D261	K230-R234 HydrophobicContact CB-CB 3.97Å; K230-R234 HydrophobicContact CB-CG 4.3Å; K230-R234 HydrophobicContact CD-CB 4.41Å; K230-R234 HydrophobicContact CG-CB 4.31Å; I231-R234 WeakPolarHBondContact O-CB 2.85Å; I231-R234 PolarHBondContact O-N 3.09Å; R234-D261 IonicContact CZ-OD2 3.78Å; R234-D261 IonicContact NE-OD2 2.75Å; R234-D261 PolarHBondContact NE-OD2 3.47Å; R234-D261 VanDerWaalsContact NE-OD2 3.12Å; R234-D261 IonicContact NH2-OD2 2.85Å; R234-D261 PolarHBondContact NH2-OD2 2.93Å
235	V	98.2	Very high	97.1	Very high	39 Å²	39	20.6 Å²	20.6	24%	0.236	11%	0.114	C	C	.	.			trans	-113.4	130.6	173.9	177.6	0	0	0	0	109.2	D104 G233 P239	D104-V235 HydrophobicContact CB-CG2 4.02Å; G233-V235 PolarHBondContact O-N 3.18Å; V235-P239 HydrophobicContact CG1-CG 3.25Å
236	G	96.9	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.			trans	-83.8	-165.6	177.7	0	0	0	0	0	113.7	D88 S238 P239 M264	D88-G236 PolarHBondContact OD2-N 3.13Å; G236-S238 VanDerWaalsContact C-N 3.31Å; G236-P239 WeakPolarHBondContact O-CD 3.43Å; G236-M264 WeakPolarHBondContact O-CE 3.31Å
237	D	98.4	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-71.4	-26.4	174.5	65.7	-53.3	0	0	0	113	V240 A243 G244 G260 L263 M264	D237-V240 WeakPolarHBondContact O-CB 3.33Å; D237-V240 PolarHBondContact O-N 3.37Å; D237-A243 HydrophobicContact CB-CB 3.8Å; D237-G244 WeakPolarHBondContact O-CA 3.46Å; D237-G244 PolarHBondContact O-N 3.15Å; D237-G260 WeakPolarHBondContact OD1-CA 3.2Å; D237-L263 HydrophobicContact CB-CB 4.01Å; D237-M264 HydrophobicContact CB-CB 4.32Å
238	S	98.4	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.5	-170.6	-44.6	0	0	0	0	116.4	M90 T206 T222 T224 G236	M90-S238 WeakPolarHBondContact CG-O 3.4Å; T206-S238 WeakPolarHBondContact CG2-OG 3.35Å; T222-S238 WeakPolarHBondContact CB-O 3.36Å; T222-S238 PolarHBondContact OG1-O 2.89Å; T224-S238 WeakPolarHBondContact CG2-OG 3.22Å; G236-S238 VanDerWaalsContact C-N 3.31Å
239	P	98.6	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.5	173.8	37.3	-27.7	0	0	0	112.9	D88 A101 V102 L126 V235 G236 P241	D88-P239 HydrophobicContact CB-CB 4.24Å; D88-P239 HydrophobicContact CB-CG 3.76Å; A101-P239 HydrophobicContact CB-CB 4.49Å; A101-P239 VanDerWaalsContact CB-O 3.31Å; A101-P239 WeakPolarHBondContact CB-O 3.37Å; V102-P239 WeakPolarHBondContact O-CB 3.38Å; L126-P239 HydrophobicContact CD1-CB 4.44Å; V235-P239 HydrophobicContact CG1-CG 3.25Å; G236-P239 WeakPolarHBondContact O-CD 3.43Å; P239-P241 WeakPolarHBondContact O-CD 3.2Å
240	V	98.7	Very high	97.9	Very high	35 Å²	35	23.2 Å²	23.2	21%	0.212	13%	0.134	C	C	.	.	S	Bend	trans	-97.7	113.4	-176.6	179.6	0	0	0	0	109.4	D237 G242 A243 G244 M264	D237-V240 WeakPolarHBondContact O-CB 3.33Å; D237-V240 PolarHBondContact O-N 3.37Å; V240-G242 PolarHBondContact O-N 3.28Å; V240-A243 HydrophobicContact CB-CB 3.94Å; V240-A243 HydrophobicContact CG1-CB 3.98Å; V240-A243 WeakPolarHBondContact O-CB 3.01Å; V240-A243 PolarHBondContact O-N 2.92Å; V240-G244 PolarHBondContact O-N 3.42Å; V240-G244 VanDerWaalsContact O-N 3.11Å; V240-M264 HydrophobicContact CG1-CG 4.41Å; V240-M264 HydrophobicContact CG2-CE 4.11Å; V240-M264 HydrophobicContact CG2-CG 4.41Å; V240-M264 HydrophobicContact CG2-SD 4.24Å
241	P	98.2	Very high	98.1	Very high	42 Å²	42	23.4 Å²	23.4	27%	0.273	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	132.1	-178.8	-22.1	35.5	0	0	0	110.8	M90 V99 T125 P239 A243	M90-P241 HydrophobicContact SD-CB 4.42Å; M90-P241 HydrophobicContact SD-CG 4.47Å; V99-P241 HydrophobicContact CB-CG 4.32Å; V99-P241 HydrophobicContact CG1-CB 4.09Å; V99-P241 HydrophobicContact CG1-CG 3.45Å; V99-P241 VanDerWaalsContact CG1-CG 3.45Å; V99-P241 HydrophobicContact CG2-CB 4.33Å; V99-P241 HydrophobicContact CG2-CG 4.42Å; T125-P241 HydrophobicContact CG2-CG 4.3Å; P239-P241 WeakPolarHBondContact O-CD 3.2Å; P241-A243 PolarHBondContact O-N 2.78Å
242	G	98.5	Very high	98.2	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-21.1	-175.4	0	0	0	0	0	114.1	V240 A245 L267 S269 Y270	V240-G242 PolarHBondContact O-N 3.28Å; G242-A245 PolarHBondContact N-O 3.12Å; G242-L267 CarbonylContact O-C 3.56Å; G242-L267 VanDerWaalsContact O-CA 3.25Å; G242-L267 WeakPolarHBondContact O-CA 3.41Å; G242-S269 PolarHBondContact O-N 3.02Å; G242-S269 VanDerWaalsContact O-N 3.15Å; G242-Y270 PolarHBondContact O-N 3.41Å
243	A	98.7	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-74.2	167.5	0	0	0	0	0	110.1	D237 V240 P241 L267 S269	D237-A243 HydrophobicContact CB-CB 3.8Å; V240-A243 HydrophobicContact CB-CB 3.94Å; V240-A243 HydrophobicContact CG1-CB 3.98Å; V240-A243 WeakPolarHBondContact O-CB 3.01Å; V240-A243 PolarHBondContact O-N 2.92Å; P241-A243 PolarHBondContact O-N 2.78Å; A243-L267 HydrophobicContact CB-CD2 3.92Å; A243-S269 WeakPolarHBondContact O-CB 3.48Å; A243-S269 PolarHBondContact O-OG 2.81Å
244	G	98.4	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-63.2	-57.2	-179.5	0	0	0	0	0	112.1	D237 V240 A255 A256 S269	D237-G244 WeakPolarHBondContact O-CA 3.46Å; D237-G244 PolarHBondContact O-N 3.15Å; V240-G244 PolarHBondContact O-N 3.42Å; V240-G244 VanDerWaalsContact O-N 3.11Å; G244-A255 CarbonylContact O-C 3.45Å; G244-A255 VanDerWaalsContact O-CA 3.27Å; G244-A255 WeakPolarHBondContact O-CA 3.5Å; G244-A256 PolarHBondContact O-N 2.96Å; G244-S269 PolarHBondContact O-OG 3.05Å
245	A	98.9	Very high	98.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.3	179.4	0	0	0	0	0	112.5	M90 A220 T222 G242 A254 A255	M90-A245 HydrophobicContact CE-CB 4.15Å; M90-A245 HydrophobicContact SD-CB 3.91Å; A220-A245 HydrophobicContact CB-CB 3.96Å; T222-A245 HydrophobicContact CG2-CB 4.16Å; G242-A245 PolarHBondContact N-O 3.12Å; A245-A254 WeakPolarHBondContact CA-O 3.49Å; A245-A255 HydrophobicContact CB-CB 4.33Å
246	Y	98.9	Very high	98.5	Very high	40 Å²	40	12.9 Å²	12.9	16%	0.157	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	142.7	174.3	-154.5	-100.9	0	0	0	111	M92 M97 A253 A254 Y270 V273	M92-Y246 HydrophobicContact CE-CD2 4.13Å; M92-Y246 HydrophobicContact CE-CE1 4.29Å; M92-Y246 HydrophobicContact CE-CE2 3.76Å; M92-Y246 HydrophobicContact SD-CD2 3.7Å; M92-Y246 HydrophobicContact SD-CE2 3.93Å; M92-Y246 HydrophobicContact SD-CG 4.11Å; M97-Y246 HydrophobicContact CE-CE1 4.06Å; M97-Y246 WeakPolarHBondContact CE-OH 3.38Å; Y246-A253 CarbonylContact O-C 3.49Å; Y246-A253 WeakPolarHBondContact O-CA 3.2Å; Y246-A253 VanDerWaalsContact O-CB 3.26Å; Y246-A253 WeakPolarHBondContact O-CB 3.49Å; Y246-A254 PolarHBondContact N-O 2.93Å; Y246-A254 PolarHBondContact O-N 3.42Å; Y246-Y270 HydrophobicContact CD1-CD2 4.14Å; Y246-Y270 HydrophobicContact CD2-CD2 4.31Å; Y246-Y270 AromaticContact CE1-CD2 3.76Å; Y246-Y270 HydrophobicContact CE1-CD2 3.76Å; Y246-Y270 HydrophobicContact CE1-CE2 4.27Å; Y246-Y270 AromaticContact CE2-CD2 3.91Å; Y246-Y270 HydrophobicContact CE2-CD2 3.91Å; Y246-Y270 HydrophobicContact CG-CD2 4.4Å; Y246-Y270 AromaticContact CZ-CD2 3.62Å; Y246-V273 HydrophobicContact CD1-CB 4.08Å; Y246-V273 HydrophobicContact CD1-CG1 4.11Å; Y246-V273 HydrophobicContact CD1-CG2 4.15Å
247	A	98.8	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142	179.3	0	0	0	0	0	111.9	M92 I218 A220 A253	M92-A247 VanDerWaalsContact CE-O 3.31Å; M92-A247 WeakPolarHBondContact CE-O 3.04Å; M92-A247 HydrophobicContact CG-CB 4.29Å; M92-A247 PolarHBondContact SD-N 3.37Å; I218-A247 HydrophobicContact CG2-CB 3.94Å; A220-A247 HydrophobicContact CB-CB 3.99Å; A247-A253 HydrophobicContact CB-CB 4Å
248	D	98.8	Very high	98.5	Very high	18 Å²	18	12.9 Å²	12.9	10%	0.096	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	120.2	173.6	-178	-37.2	0	0	0	108.7	M97 T250 A251 G252 V273 R277	M97-D248 HydrophobicContact CE-CB 4.43Å; D248-T250 PolarHBondContact O-N 2.97Å; D248-T250 WeakPolarHBondContact OD1-CA 3.4Å; D248-T250 VanDerWaalsContact OD1-CB 3.29Å; D248-T250 WeakPolarHBondContact OD1-CB 3.29Å; D248-T250 PolarHBondContact OD1-N 2.8Å; D248-T250 PolarHBondContact OD1-OG1 3.1Å; D248-A251 HydrophobicContact CB-CB 4.35Å; D248-A251 PolarHBondContact O-N 2.93Å; D248-A251 VanDerWaalsContact O-N 3.09Å; D248-G252 PolarHBondContact N-O 3.37Å; D248-G252 PolarHBondContact O-N 3.42Å; D248-G252 VanDerWaalsContact O-O 3.09Å; D248-V273 HydrophobicContact CB-CG1 4.09Å; D248-R277 IonicContact OD2-CZ 3.29Å; D248-R277 IonicContact OD2-NE 2.7Å; D248-R277 IonicContact OD2-NH2 3.43Å; D248-R277 PolarHBondContact OD2-NH2 2.97Å
249	D	98.5	Very high	98.4	Very high	24 Å²	24	13.8 Å²	13.8	13%	0.128	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.2	-177.9	-77.7	-0.3	0	0	0	114.2	G94 T95 R217 I218 V309	G94-D249 PolarHBondContact O-N 3.33Å; G94-D249 VanDerWaalsContact O-N 3.08Å; T95-D249 WeakPolarHBondContact CA-OD2 3.25Å; T95-D249 WeakPolarHBondContact CB-OD2 3.5Å; T95-D249 PolarHBondContact OG1-OD2 2.92Å; R217-D249 VanDerWaalsContact CD-OD2 3.29Å; R217-D249 WeakPolarHBondContact CD-OD2 3.28Å; R217-D249 IonicContact CZ-OD2 2.76Å; R217-D249 IonicContact NE-OD2 3.25Å; R217-D249 IonicContact NH1-OD2 3.12Å; R217-D249 PolarHBondContact NH1-OD2 2.84Å; I218-D249 WeakPolarHBondContact CB-OD1 3.09Å; I218-D249 PolarHBondContact N-OD1 2.71Å; D249-V309 WeakPolarHBondContact O-CG1 3.17Å
250	T	98.2	Very high	98.2	Very high	105 Å²	105	13.8 Å²	13.8	64%	0.644	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-16	-178.7	73.3	0	0	0	0	113.4	D248	D248-T250 PolarHBondContact O-N 2.97Å; D248-T250 WeakPolarHBondContact OD1-CA 3.4Å; D248-T250 VanDerWaalsContact OD1-CB 3.29Å; D248-T250 WeakPolarHBondContact OD1-CB 3.29Å; D248-T250 PolarHBondContact OD1-N 2.8Å; D248-T250 PolarHBondContact OD1-OG1 3.1Å
251	A	98.4	Very high	98.1	Very high	4 Å²	4	15 Å²	15	3%	0.033	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-47.5	-173.2	0	0	0	0	0	113	D248 V273 R277 N308 V309	D248-A251 HydrophobicContact CB-CB 4.35Å; D248-A251 PolarHBondContact O-N 2.93Å; D248-A251 VanDerWaalsContact O-N 3.09Å; A251-V273 HydrophobicContact CB-CG1 3.84Å; A251-R277 HydrophobicContact CB-CB 3.71Å; A251-R277 HydrophobicContact CB-CG 4.11Å; A251-N308 WeakPolarHBondContact O-CA 3.37Å; A251-V309 PolarHBondContact O-N 3Å
252	G	98.6	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-163.8	-171.9	0	0	0	0	0	112.9	D248 A307	D248-G252 PolarHBondContact N-O 3.37Å; D248-G252 PolarHBondContact O-N 3.42Å; D248-G252 VanDerWaalsContact O-O 3.09Å; G252-A307 CarbonylContact C-O 3.59Å; G252-A307 WeakPolarHBondContact CA-O 3.23Å
253	A	98.9	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.7	176.3	0	0	0	0	0	111.6	V210 I218 A220 Y246 A247 A307	V210-A253 HydrophobicContact CB-CB 4.37Å; V210-A253 HydrophobicContact CG1-CB 3.5Å; V210-A253 VanDerWaalsContact CG1-CB 3.5Å; V210-A253 HydrophobicContact CG2-CB 4.06Å; I218-A253 HydrophobicContact CG2-CB 3.42Å; I218-A253 VanDerWaalsContact CG2-CB 3.42Å; A220-A253 HydrophobicContact CB-CB 4.15Å; Y246-A253 CarbonylContact O-C 3.49Å; Y246-A253 WeakPolarHBondContact O-CA 3.2Å; Y246-A253 VanDerWaalsContact O-CB 3.26Å; Y246-A253 WeakPolarHBondContact O-CB 3.49Å; A247-A253 HydrophobicContact CB-CB 4Å; A253-A307 PolarHBondContact N-O 3.33Å; A253-A307 PolarHBondContact O-N 3.39Å
254	A	98.9	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	175.4	0	0	0	0	0	110.8	A245 Y246 A272 V273 V304 I305	A245-A254 WeakPolarHBondContact CA-O 3.49Å; Y246-A254 PolarHBondContact N-O 2.93Å; Y246-A254 PolarHBondContact O-N 3.42Å; A254-A272 HydrophobicContact CB-CB 3.74Å; A254-V273 HydrophobicContact CB-CG2 4.19Å; A254-V304 HydrophobicContact CB-CG1 4.27Å; A254-I305 WeakPolarHBondContact CA-O 3.2Å; A254-I305 WeakPolarHBondContact CB-O 3.21Å
255	A	98.9	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.7	171.4	0	0	0	0	0	110.4	V210 G244 A245 S269 V304 I305	V210-A255 HydrophobicContact CG2-CB 4.09Å; G244-A255 CarbonylContact O-C 3.45Å; G244-A255 VanDerWaalsContact O-CA 3.27Å; G244-A255 WeakPolarHBondContact O-CA 3.5Å; A245-A255 HydrophobicContact CB-CB 4.33Å; A255-S269 WeakPolarHBondContact CA-OG 2.79Å; A255-V304 WeakPolarHBondContact O-CA 3.48Å; A255-I305 HydrophobicContact CB-CD1 4.3Å; A255-I305 HydrophobicContact CB-CG1 4.03Å; A255-I305 PolarHBondContact N-O 3.49Å; A255-I305 WeakPolarHBondContact O-CG1 3.3Å; A255-I305 PolarHBondContact O-N 3.33Å
256	A	98.6	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	157.5	-176.5	0	0	0	0	0	111.5	G244 L263 P268 S269 A303 V304	G244-A256 PolarHBondContact O-N 2.96Å; A256-L263 HydrophobicContact CB-CD1 4.28Å; A256-P268 HydrophobicContact CB-CB 4.35Å; A256-P268 HydrophobicContact CB-CG 3.71Å; A256-S269 PolarHBondContact N-OG 3.12Å; A256-A303 WeakPolarHBondContact CA-O 3.41Å; A256-V304 HydrophobicContact CB-CG2 4.2Å
257	T	98.4	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.3	173	-176.5	0	0	0	0	108.4	T33 W34 T206 G302 A303 F326	T33-T257 HydrophobicContact CG2-CG2 3.95Å; W34-T257 HydrophobicContact CZ2-CG2 3.78Å; W34-T257 PolarHBondContact NE1-OG1 3.44Å; T206-T257 PolarHBondContact N-OG1 3.12Å; T206-T257 VanDerWaalsContact N-OG1 3.12Å; T206-T257 PolarHBondContact O-OG1 2.87Å; T257-G302 CarbonylContact O-C 3.58Å; T257-G302 WeakPolarHBondContact O-CA 3.16Å; T257-A303 HydrophobicContact CG2-CB 3.95Å; T257-A303 PolarHBondContact N-O 3.48Å; T257-A303 PolarHBondContact O-N 2.92Å; T257-F326 HydrophobicContact CG2-CE2 3.99Å; T257-F326 HydrophobicContact CG2-CZ 4.16Å
258	G	96.1	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.8	-141.9	173.9	0	0	0	0	0	114.4	H204 G260 F301	H204-G258 PolarHBondContact CD2-O 2.99Å; H204-G258 PolarHBondContact NE2-O 2.9Å; G258-G260 PolarHBondContact O-N 2.81Å; G258-F301 VanDerWaalsContact CA-CD1 3.41Å
259	D	95.9	Very high	97.8	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.102	13%	0.127	C	C	.	.			trans	-69.4	93.4	175	-176.7	-28.2	0	0	0	110.6	D261 I262 L263 F301	D259-D261 PolarHBondContact O-N 2.73Å; D259-D261 VanDerWaalsContact O-N 3.15Å; D259-D261 WeakPolarHBondContact OD1-CB 3.33Å; D259-D261 PolarHBondContact OD1-N 2.99Å; D259-I262 HydrophobicContact CB-CB 4.23Å; D259-I262 HydrophobicContact CB-CD1 4.38Å; D259-I262 HydrophobicContact CB-CG1 4.46Å; D259-I262 PolarHBondContact O-N 3.1Å; D259-I262 PolarHBondContact OD1-N 2.97Å; D259-I262 VanDerWaalsContact OD2-CD1 3.26Å; D259-I262 WeakPolarHBondContact OD2-CD1 3.33Å; D259-L263 WeakPolarHBondContact O-CB 3.38Å; D259-L263 VanDerWaalsContact O-CG 3.25Å; D259-L263 WeakPolarHBondContact O-CG 3.15Å; D259-L263 PolarHBondContact O-N 3.04Å; D259-F301 PolarHBondContact N-O 3.02Å
260	G	95.7	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-27.8	-177.5	0	0	0	0	0	115	D237 G258 M264	D237-G260 WeakPolarHBondContact OD1-CA 3.2Å; G258-G260 PolarHBondContact O-N 2.81Å; G260-M264 WeakPolarHBondContact O-CB 3.37Å; G260-M264 PolarHBondContact O-N 3.01Å; G260-M264 VanDerWaalsContact O-N 3.07Å
261	D	95.6	Very high	97.9	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.332	12%	0.116	S	C	.	.	H	α-helix	trans	-74.9	-29.4	178.8	-73.3	-80.4	0	0	0	112.1	R234 D259 R265	R234-D261 IonicContact CZ-OD2 3.78Å; R234-D261 IonicContact NE-OD2 2.75Å; R234-D261 PolarHBondContact NE-OD2 3.47Å; R234-D261 VanDerWaalsContact NE-OD2 3.12Å; R234-D261 IonicContact NH2-OD2 2.85Å; R234-D261 PolarHBondContact NH2-OD2 2.93Å; D259-D261 PolarHBondContact O-N 2.73Å; D259-D261 VanDerWaalsContact O-N 3.15Å; D259-D261 WeakPolarHBondContact OD1-CB 3.33Å; D259-D261 PolarHBondContact OD1-N 2.99Å; D261-R265 WeakPolarHBondContact O-CD 3.17Å; D261-R265 WeakPolarHBondContact O-CG 2.95Å; D261-R265 PolarHBondContact O-NE 2.98Å
262	I	96.9	Very high	97.9	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-80.8	-50.9	170.4	-68.2	176.5	0	0	0	110.4	D259 M264 R265 F266 I293 F297 F300	D259-I262 HydrophobicContact CB-CB 4.23Å; D259-I262 HydrophobicContact CB-CD1 4.38Å; D259-I262 HydrophobicContact CB-CG1 4.46Å; D259-I262 PolarHBondContact O-N 3.1Å; D259-I262 PolarHBondContact OD1-N 2.97Å; D259-I262 VanDerWaalsContact OD2-CD1 3.26Å; D259-I262 WeakPolarHBondContact OD2-CD1 3.33Å; I262-M264 VanDerWaalsContact C-N 3.29Å; I262-M264 PolarHBondContact O-N 2.53Å; I262-R265 WeakPolarHBondContact O-CB 3.03Å; I262-R265 PolarHBondContact O-N 2.96Å; I262-F266 HydrophobicContact CG2-CD2 4.37Å; I262-F266 HydrophobicContact CG2-CE2 4.3Å; I262-F266 WeakPolarHBondContact O-CD2 3.38Å; I262-I293 HydrophobicContact CG2-CG2 3.61Å; I262-F297 HydrophobicContact CD1-CB 4.04Å; I262-F297 HydrophobicContact CD1-CD1 3.86Å; I262-F297 HydrophobicContact CD1-CG 3.94Å; I262-F297 HydrophobicContact CG1-CD1 4.29Å; I262-F297 HydrophobicContact CG1-CG 4.34Å; I262-F297 HydrophobicContact CG2-CB 4.3Å; I262-F297 HydrophobicContact CG2-CD2 3.94Å; I262-F297 HydrophobicContact CG2-CG 4.13Å; I262-F300 HydrophobicContact CD1-CB 3.63Å; I262-F300 HydrophobicContact CG2-CB 4.21Å; I262-F300 HydrophobicContact CG2-CD2 4.2Å; I262-F300 HydrophobicContact CG2-CG 4.36Å
263	L	97.7	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.2	-43.3	-175.7	-66	176	0	0	0	111.6	D237 A256 D259 R265 F266 L267 P268 I293 F300	D237-L263 HydrophobicContact CB-CB 4.01Å; A256-L263 HydrophobicContact CB-CD1 4.28Å; D259-L263 WeakPolarHBondContact O-CB 3.38Å; D259-L263 VanDerWaalsContact O-CG 3.25Å; D259-L263 WeakPolarHBondContact O-CG 3.15Å; D259-L263 PolarHBondContact O-N 3.04Å; L263-R265 PolarHBondContact O-N 3.06Å; L263-R265 VanDerWaalsContact O-N 3.11Å; L263-F266 PolarHBondContact O-N 2.91Å; L263-L267 PolarHBondContact O-N 3.15Å; L263-L267 VanDerWaalsContact O-N 3.11Å; L263-P268 HydrophobicContact CB-CG 4.15Å; L263-P268 HydrophobicContact CD2-CG 4.1Å; L263-P268 WeakPolarHBondContact O-CD 3.3Å; L263-I293 HydrophobicContact CD2-CD1 4.02Å; L263-F300 HydrophobicContact CD2-CD2 4.47Å; L263-F300 HydrophobicContact CD2-CE2 4.04Å
264	M	96.3	Very high	97.9	Very high	63 Å²	63	28.2 Å²	28.2	31%	0.31	13%	0.127	S	C	.	.	H	α-helix	trans	-58.1	-27.7	177.8	-168.8	-171.2	-49.9	0	0	113.7	G236 D237 V240 G260 I262 F266	G236-M264 WeakPolarHBondContact O-CE 3.31Å; D237-M264 HydrophobicContact CB-CB 4.32Å; V240-M264 HydrophobicContact CG1-CG 4.41Å; V240-M264 HydrophobicContact CG2-CE 4.11Å; V240-M264 HydrophobicContact CG2-CG 4.41Å; V240-M264 HydrophobicContact CG2-SD 4.24Å; G260-M264 WeakPolarHBondContact O-CB 3.37Å; G260-M264 PolarHBondContact O-N 3.01Å; G260-M264 VanDerWaalsContact O-N 3.07Å; I262-M264 VanDerWaalsContact C-N 3.29Å; I262-M264 PolarHBondContact O-N 2.53Å; M264-F266 VanDerWaalsContact C-N 3.28Å; M264-F266 PolarHBondContact O-N 2.93Å
265	R	97.9	Very high	97.9	Very high	148 Å²	148	30.8 Å²	30.8	56%	0.558	14%	0.137	S	C	*	.	H	α-helix	trans	-74.4	-18.5	178.7	-58.5	172.1	-165.4	172.3	5.6	113.1	D261 I262 L263	D261-R265 WeakPolarHBondContact O-CD 3.17Å; D261-R265 WeakPolarHBondContact O-CG 2.95Å; D261-R265 PolarHBondContact O-NE 2.98Å; I262-R265 WeakPolarHBondContact O-CB 3.03Å; I262-R265 PolarHBondContact O-N 2.96Å; L263-R265 PolarHBondContact O-N 3.06Å; L263-R265 VanDerWaalsContact O-N 3.11Å
266	F	98.5	Very high	97.9	Very high	35 Å²	35	31.3 Å²	31.3	15%	0.154	14%	0.14	C	C	.	.	H	α-helix	trans	-116.9	-9.7	-173.6	-68.4	-90.5	0	0	0	114.3	I262 L263 M264 R292 I293 Y296 F297	I262-F266 HydrophobicContact CG2-CD2 4.37Å; I262-F266 HydrophobicContact CG2-CE2 4.3Å; I262-F266 WeakPolarHBondContact O-CD2 3.38Å; L263-F266 PolarHBondContact O-N 2.91Å; M264-F266 VanDerWaalsContact C-N 3.28Å; M264-F266 PolarHBondContact O-N 2.93Å; F266-R292 HydrophobicContact CD1-CG 4.44Å; F266-I293 HydrophobicContact CB-CD1 4.23Å; F266-I293 HydrophobicContact CB-CG1 3.78Å; F266-I293 HydrophobicContact CD1-CG1 4.09Å; F266-I293 HydrophobicContact CD2-CG1 3.97Å; F266-I293 HydrophobicContact CD2-CG2 4.19Å; F266-I293 HydrophobicContact CE2-CG2 4.23Å; F266-I293 HydrophobicContact CG-CG1 3.68Å; F266-Y296 AromaticContact CE1-CD2 3.57Å; F266-Y296 HydrophobicContact CE1-CD2 3.57Å; F266-Y296 HydrophobicContact CE1-CE2 4.04Å; F266-Y296 HydrophobicContact CE1-CG 4.26Å; F266-Y296 AromaticContact CZ-CD2 3.72Å; F266-Y296 HydrophobicContact CZ-CD2 3.72Å; F266-Y296 AromaticContact CZ-CG 3.96Å; F266-Y296 HydrophobicContact CZ-CG 3.96Å; F266-F297 AromaticContact CE2-CD2 3.62Å; F266-F297 HydrophobicContact CE2-CD2 3.62Å; F266-F297 AromaticContact CE2-CE2 3.55Å; F266-F297 HydrophobicContact CE2-CE2 3.55Å; F266-F297 AromaticContact CZ-CD2 3.89Å; F266-F297 HydrophobicContact CZ-CD2 3.89Å; F266-F297 AromaticContact CZ-CE2 3.8Å; F266-F297 HydrophobicContact CZ-CE2 3.8Å
267	L	98.7	Very high	97.9	Very high	69 Å²	69	35.6 Å²	35.6	36%	0.361	16%	0.156	S	C	.	.			trans	48.9	58	-179.7	-54.6	-179.4	0	0	0	112.1	G242 A243 L263 S269 Y270 Q271	G242-L267 CarbonylContact O-C 3.56Å; G242-L267 VanDerWaalsContact O-CA 3.25Å; G242-L267 WeakPolarHBondContact O-CA 3.41Å; A243-L267 HydrophobicContact CB-CD2 3.92Å; L263-L267 PolarHBondContact O-N 3.15Å; L263-L267 VanDerWaalsContact O-N 3.11Å; L267-S269 PolarHBondContact O-N 3.18Å; L267-Y270 PolarHBondContact O-N 3.18Å; L267-Q271 WeakPolarHBondContact O-CB 3.25Å; L267-Q271 PolarHBondContact O-N 2.93Å
268	P	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-42.3	-169	22.6	-36.2	0	0	0	113.6	A256 L263 Q271 A272 V289 I293 V304	A256-P268 HydrophobicContact CB-CB 4.35Å; A256-P268 HydrophobicContact CB-CG 3.71Å; L263-P268 HydrophobicContact CB-CG 4.15Å; L263-P268 HydrophobicContact CD2-CG 4.1Å; L263-P268 WeakPolarHBondContact O-CD 3.3Å; P268-Q271 PolarHBondContact O-N 3.07Å; P268-A272 WeakPolarHBondContact O-CB 3.12Å; P268-A272 PolarHBondContact O-N 2.9Å; P268-V289 HydrophobicContact CB-CG1 3.36Å; P268-I293 HydrophobicContact CB-CD1 4.45Å; P268-V304 HydrophobicContact CB-CG2 3.96Å
269	S	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-43.7	-178.9	-64.8	0	0	0	0	112	G242 A243 G244 A255 A256 L267 A272 V273	G242-S269 PolarHBondContact O-N 3.02Å; G242-S269 VanDerWaalsContact O-N 3.15Å; A243-S269 WeakPolarHBondContact O-CB 3.48Å; A243-S269 PolarHBondContact O-OG 2.81Å; G244-S269 PolarHBondContact O-OG 3.05Å; A255-S269 WeakPolarHBondContact CA-OG 2.79Å; A256-S269 PolarHBondContact N-OG 3.12Å; L267-S269 PolarHBondContact O-N 3.18Å; S269-A272 PolarHBondContact O-N 3.05Å; S269-V273 WeakPolarHBondContact O-CG2 3.3Å; S269-V273 PolarHBondContact O-N 2.84Å; S269-V273 VanDerWaalsContact O-N 3.12Å
270	Y	98.9	Very high	98.1	Very high	90 Å²	90	43.7 Å²	43.7	35%	0.353	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-50.1	173	173.6	-99.7	0	0	0	110.8	G242 Y246 L267 A272 V273 E274	G242-Y270 PolarHBondContact O-N 3.41Å; Y246-Y270 HydrophobicContact CD1-CD2 4.14Å; Y246-Y270 HydrophobicContact CD2-CD2 4.31Å; Y246-Y270 AromaticContact CE1-CD2 3.76Å; Y246-Y270 HydrophobicContact CE1-CD2 3.76Å; Y246-Y270 HydrophobicContact CE1-CE2 4.27Å; Y246-Y270 AromaticContact CE2-CD2 3.91Å; Y246-Y270 HydrophobicContact CE2-CD2 3.91Å; Y246-Y270 HydrophobicContact CG-CD2 4.4Å; Y246-Y270 AromaticContact CZ-CD2 3.62Å; L267-Y270 PolarHBondContact O-N 3.18Å; Y270-A272 VanDerWaalsContact C-N 3.29Å; Y270-A272 PolarHBondContact O-N 3.38Å; Y270-V273 PolarHBondContact O-N 2.85Å; Y270-V273 VanDerWaalsContact O-N 3.11Å; Y270-E274 HydrophobicContact CD1-CG 4Å; Y270-E274 HydrophobicContact CE1-CG 3.53Å; Y270-E274 HydrophobicContact CE2-CG 4.13Å; Y270-E274 WeakPolarHBondContact CE2-OE1 3.44Å; Y270-E274 HydrophobicContact CG-CG 4.47Å; Y270-E274 VanDerWaalsContact CZ-OE1 3.24Å; Y270-E274 WeakPolarHBondContact O-CG 3.43Å; Y270-E274 PolarHBondContact O-N 3.07Å; Y270-E274 PolarHBondContact OH-OE1 2.91Å
271	Q	98.9	Very high	98.2	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-35.2	-177.2	-175.4	59.7	81.6	0	0	112.7	L267 P268 E274 Y275 V289	L267-Q271 WeakPolarHBondContact O-CB 3.25Å; L267-Q271 PolarHBondContact O-N 2.93Å; P268-Q271 PolarHBondContact O-N 3.07Å; Q271-E274 PolarHBondContact O-N 3.06Å; Q271-Y275 HydrophobicContact CG-CD2 4.25Å; Q271-Y275 HydrophobicContact CG-CE2 3.62Å; Q271-Y275 WeakPolarHBondContact O-CD2 3.37Å; Q271-Y275 PolarHBondContact O-N 3.14Å; Q271-Y275 VanDerWaalsContact O-N 3.08Å; Q271-V289 HydrophobicContact CB-CG2 4.07Å; Q271-V289 HydrophobicContact CG-CG2 3.99Å
272	A	98.9	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-46.2	173.1	0	0	0	0	0	111.7	A254 P268 S269 Y270 E274 Y275 M276 V289 V304	A254-A272 HydrophobicContact CB-CB 3.74Å; P268-A272 WeakPolarHBondContact O-CB 3.12Å; P268-A272 PolarHBondContact O-N 2.9Å; S269-A272 PolarHBondContact O-N 3.05Å; Y270-A272 VanDerWaalsContact C-N 3.29Å; Y270-A272 PolarHBondContact O-N 3.38Å; A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 PolarHBondContact O-N 3.25Å; A272-Y275 PolarHBondContact O-N 2.89Å; A272-M276 PolarHBondContact O-N 3.49Å; A272-V289 HydrophobicContact CB-CG2 3.95Å; A272-V304 HydrophobicContact CB-CG1 4.48Å
273	V	98.9	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-39.1	176.7	174.2	0	0	0	0	111.1	Y246 D248 A251 A254 S269 Y270 Y275 M276 R277	Y246-V273 HydrophobicContact CD1-CB 4.08Å; Y246-V273 HydrophobicContact CD1-CG1 4.11Å; Y246-V273 HydrophobicContact CD1-CG2 4.15Å; D248-V273 HydrophobicContact CB-CG1 4.09Å; A251-V273 HydrophobicContact CB-CG1 3.84Å; A254-V273 HydrophobicContact CB-CG2 4.19Å; S269-V273 WeakPolarHBondContact O-CG2 3.3Å; S269-V273 PolarHBondContact O-N 2.84Å; S269-V273 VanDerWaalsContact O-N 3.12Å; Y270-V273 PolarHBondContact O-N 2.85Å; Y270-V273 VanDerWaalsContact O-N 3.11Å; V273-Y275 PolarHBondContact O-N 2.94Å; V273-M276 HydrophobicContact CB-CE 4.5Å; V273-M276 HydrophobicContact CG2-CE 4Å; V273-M276 PolarHBondContact O-N 2.98Å; V273-R277 WeakPolarHBondContact O-CB 3.4Å; V273-R277 PolarHBondContact O-N 2.88Å
274	E	98.9	Very high	98.5	Very high	57 Å²	57	49.2 Å²	49.2	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-41.4	173.4	-66.9	-52.3	126.1	0	0	112.7	Y270 Q271 A272 R277 G278	Y270-E274 HydrophobicContact CD1-CG 4Å; Y270-E274 HydrophobicContact CE1-CG 3.53Å; Y270-E274 HydrophobicContact CE2-CG 4.13Å; Y270-E274 WeakPolarHBondContact CE2-OE1 3.44Å; Y270-E274 HydrophobicContact CG-CG 4.47Å; Y270-E274 VanDerWaalsContact CZ-OE1 3.24Å; Y270-E274 WeakPolarHBondContact O-CG 3.43Å; Y270-E274 PolarHBondContact O-N 3.07Å; Y270-E274 PolarHBondContact OH-OE1 2.91Å; Q271-E274 PolarHBondContact O-N 3.06Å; A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 PolarHBondContact O-N 3.25Å; E274-R277 PolarHBondContact O-N 3.38Å; E274-R277 IonicContact OE1-CZ 2.77Å; E274-R277 IonicContact OE1-NH1 3.18Å; E274-R277 PolarHBondContact OE1-NH1 2.77Å; E274-R277 IonicContact OE1-NH2 3.49Å; E274-R277 PolarHBondContact OE1-NH2 2.96Å; E274-R277 IonicContact OE2-CZ 3.46Å; E274-R277 IonicContact OE2-NH1 2.77Å; E274-R277 PolarHBondContact OE2-NH1 2.89Å; E274-G278 PolarHBondContact O-N 2.73Å
275	Y	98.8	Very high	98.6	Very high	55 Å²	55	46.2 Å²	46.2	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.8	-70.7	-42.4	0	0	0	111.5	Q271 A272 V273 R277 G278 G279 E280 K288 V289	Q271-Y275 HydrophobicContact CG-CD2 4.25Å; Q271-Y275 HydrophobicContact CG-CE2 3.62Å; Q271-Y275 WeakPolarHBondContact O-CD2 3.37Å; Q271-Y275 PolarHBondContact O-N 3.14Å; Q271-Y275 VanDerWaalsContact O-N 3.08Å; A272-Y275 PolarHBondContact O-N 2.89Å; V273-Y275 PolarHBondContact O-N 2.94Å; Y275-R277 VanDerWaalsContact C-N 3.32Å; Y275-R277 PolarHBondContact O-N 3.2Å; Y275-G278 CarbonylContact O-C 3.31Å; Y275-G278 WeakPolarHBondContact O-CA 3.43Å; Y275-G278 PolarHBondContact O-N 2.03Å; Y275-G279 PolarHBondContact O-N 3.22Å; Y275-E280 VanDerWaalsContact O-CB 3.25Å; Y275-E280 WeakPolarHBondContact O-CB 3.49Å; Y275-E280 WeakPolarHBondContact O-CG 3.26Å; Y275-E280 PolarHBondContact O-N 2.97Å; Y275-E280 VanDerWaalsContact O-N 3.17Å; Y275-K288 HydrophobicContact CD1-CD 4.38Å; Y275-K288 HydrophobicContact CD2-CB 3.87Å; Y275-K288 HydrophobicContact CD2-CD 4.46Å; Y275-K288 HydrophobicContact CE1-CD 4.42Å; Y275-K288 HydrophobicContact CE2-CB 3.51Å; Y275-K288 HydrophobicContact CE2-CD 4.47Å; Y275-K288 HydrophobicContact CG-CD 4.43Å; Y275-V289 HydrophobicContact CD2-CG2 4.05Å; Y275-V289 HydrophobicContact CE2-CG2 3.94Å
276	M	98.8	Very high	98.7	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.054	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-35.9	175.8	-67.5	-172.7	-65	0	0	112.2	A272 V273 G278 G279 P282 A285 C306 A307 N308	A272-M276 PolarHBondContact O-N 3.49Å; V273-M276 HydrophobicContact CB-CE 4.5Å; V273-M276 HydrophobicContact CG2-CE 4Å; V273-M276 PolarHBondContact O-N 2.98Å; M276-G278 PolarHBondContact O-N 2.9Å; M276-G279 WeakPolarHBondContact O-CA 3.42Å; M276-G279 PolarHBondContact O-N 3.49Å; M276-P282 HydrophobicContact SD-CB 3.88Å; M276-P282 HydrophobicContact SD-CG 3.86Å; M276-A285 HydrophobicContact CG-CB 3.77Å; M276-C306 HydrophobicContact CE-CB 4.27Å; M276-C306 HydrophobicContact SD-CB 4.03Å; M276-A307 WeakPolarHBondContact CE-O 3.33Å; M276-N308 HydrophobicContact SD-CB 3.89Å
277	R	98.6	Very high	98.7	Very high	90 Å²	90	40.7 Å²	40.7	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-34.1	172.1	-166.2	177.8	-63.3	94.3	-6	111.9	D248 A251 V273 E274 Y275 G279	D248-R277 IonicContact OD2-CZ 3.29Å; D248-R277 IonicContact OD2-NE 2.7Å; D248-R277 IonicContact OD2-NH2 3.43Å; D248-R277 PolarHBondContact OD2-NH2 2.97Å; A251-R277 HydrophobicContact CB-CB 3.71Å; A251-R277 HydrophobicContact CB-CG 4.11Å; V273-R277 WeakPolarHBondContact O-CB 3.4Å; V273-R277 PolarHBondContact O-N 2.88Å; E274-R277 PolarHBondContact O-N 3.38Å; E274-R277 IonicContact OE1-CZ 2.77Å; E274-R277 IonicContact OE1-NH1 3.18Å; E274-R277 PolarHBondContact OE1-NH1 2.77Å; E274-R277 IonicContact OE1-NH2 3.49Å; E274-R277 PolarHBondContact OE1-NH2 2.96Å; E274-R277 IonicContact OE2-CZ 3.46Å; E274-R277 IonicContact OE2-NH1 2.77Å; E274-R277 PolarHBondContact OE2-NH1 2.89Å; Y275-R277 VanDerWaalsContact C-N 3.32Å; Y275-R277 PolarHBondContact O-N 3.2Å; R277-G279 PolarHBondContact O-N 3.43Å
278	G	98.2	Very high	98.7	Very high	68 Å²	68	40.9 Å²	40.9	70%	0.701	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-3.5	170.5	0	0	0	0	0	114.8	E274 Y275 M276	E274-G278 PolarHBondContact O-N 2.73Å; Y275-G278 CarbonylContact O-C 3.31Å; Y275-G278 WeakPolarHBondContact O-CA 3.43Å; Y275-G278 PolarHBondContact O-N 2.03Å; M276-G278 PolarHBondContact O-N 2.9Å
279	G	97.4	Very high	98.7	Very high	54 Å²	54	41 Å²	41	56%	0.557	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	10.8	179.5	0	0	0	0	0	114.6	Y275 M276 R277	Y275-G279 PolarHBondContact O-N 3.22Å; M276-G279 WeakPolarHBondContact O-CA 3.42Å; M276-G279 PolarHBondContact O-N 3.49Å; R277-G279 PolarHBondContact O-N 3.43Å
280	E	98.3	Very high	98.7	Very high	67 Å²	67	41 Å²	41	31%	0.313	22%	0.222	S	C	.	.			trans	-69.4	147.1	175.7	-60.1	-75.1	172.4	0	0	111.3	Y275 I284 K288	Y275-E280 VanDerWaalsContact O-CB 3.25Å; Y275-E280 WeakPolarHBondContact O-CB 3.49Å; Y275-E280 WeakPolarHBondContact O-CG 3.26Å; Y275-E280 PolarHBondContact O-N 2.97Å; Y275-E280 VanDerWaalsContact O-N 3.17Å; E280-I284 WeakPolarHBondContact OE2-CG2 3.43Å; E280-K288 IonicContact OE1-NZ 3.45Å; E280-K288 PolarHBondContact OE1-NZ 2.67Å; E280-K288 IonicContact OE2-NZ 3.54Å; E280-K288 PolarHBondContact OE2-NZ 3.38Å
281	D	98.3	Very high	98.7	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	22%	0.224	S	C	.	.			trans	-63.9	142	169.2	177	-91.4	0	0	0	110.4	T283 I284 A285	D281-T283 VanDerWaalsContact C-N 3.28Å; D281-T283 PolarHBondContact O-N 3.48Å; D281-T283 WeakPolarHBondContact OD1-CA 3.21Å; D281-T283 WeakPolarHBondContact OD1-CB 3.39Å; D281-T283 PolarHBondContact OD1-N 2.82Å; D281-T283 PolarHBondContact OD1-OG1 2.97Å; D281-I284 HydrophobicContact CB-CB 4.33Å; D281-I284 HydrophobicContact CB-CG1 4Å; D281-I284 PolarHBondContact O-N 2.99Å; D281-A285 PolarHBondContact O-N 2.98Å
282	P	98.7	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-37	-178.7	-28.4	36.6	0	0	0	114.6	M276 A285 C286 C306 N308 S312	M276-P282 HydrophobicContact SD-CB 3.88Å; M276-P282 HydrophobicContact SD-CG 3.86Å; P282-A285 PolarHBondContact O-N 3.38Å; P282-C286 WeakPolarHBondContact O-CB 3.01Å; P282-C286 PolarHBondContact O-N 3.02Å; P282-C306 HydrophobicContact CB-CB 3.75Å; P282-C306 WeakPolarHBondContact O-CB 3.45Å; P282-N308 HydrophobicContact CG-CB 3.95Å; P282-S312 WeakPolarHBondContact CG-O 3.31Å
283	T	98.8	Very high	98.6	Very high	46 Å²	46	43.4 Å²	43.4	28%	0.282	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-45.9	176.7	-56.7	0	0	0	0	110.1	D281 A285 C286 Q287 G314	D281-T283 VanDerWaalsContact C-N 3.28Å; D281-T283 PolarHBondContact O-N 3.48Å; D281-T283 WeakPolarHBondContact OD1-CA 3.21Å; D281-T283 WeakPolarHBondContact OD1-CB 3.39Å; D281-T283 PolarHBondContact OD1-N 2.82Å; D281-T283 PolarHBondContact OD1-OG1 2.97Å; T283-A285 VanDerWaalsContact C-N 3.35Å; T283-A285 PolarHBondContact O-N 3.21Å; T283-C286 PolarHBondContact O-N 3.41Å; T283-Q287 VanDerWaalsContact O-CG 3.28Å; T283-Q287 WeakPolarHBondContact O-CG 2.98Å; T283-Q287 PolarHBondContact O-N 3.09Å; T283-G314 WeakPolarHBondContact OG1-CA 3.38Å
284	I	98.8	Very high	98.6	Very high	66 Å²	66	45.4 Å²	45.4	34%	0.338	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-39.3	178.3	-57.6	-57.8	0	0	0	111.3	E280 D281 Q287 K288	E280-I284 WeakPolarHBondContact OE2-CG2 3.43Å; D281-I284 HydrophobicContact CB-CB 4.33Å; D281-I284 HydrophobicContact CB-CG1 4Å; D281-I284 PolarHBondContact O-N 2.99Å; I284-Q287 PolarHBondContact O-N 3.46Å; I284-K288 HydrophobicContact CG2-CD 4.21Å; I284-K288 HydrophobicContact CG2-CG 4.5Å; I284-K288 WeakPolarHBondContact O-CB 3.46Å; I284-K288 WeakPolarHBondContact O-CG 3.09Å; I284-K288 PolarHBondContact O-N 3.22Å
285	A	98.9	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-50	175.3	0	0	0	0	0	111.3	M276 D281 P282 T283 Q287 K288 V289	M276-A285 HydrophobicContact CG-CB 3.77Å; D281-A285 PolarHBondContact O-N 2.98Å; P282-A285 PolarHBondContact O-N 3.38Å; T283-A285 VanDerWaalsContact C-N 3.35Å; T283-A285 PolarHBondContact O-N 3.21Å; A285-Q287 PolarHBondContact O-N 3.17Å; A285-K288 PolarHBondContact O-N 2.91Å; A285-V289 WeakPolarHBondContact O-CG2 3.19Å; A285-V289 PolarHBondContact O-N 3.33Å; A285-V289 VanDerWaalsContact O-N 3.11Å
286	C	98.9	Very high	98.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-45.8	175.6	-91.3	0	0	0	0	111.7	P282 T283 K288 V289 I290 V304 I305 C306 A316	P282-C286 WeakPolarHBondContact O-CB 3.01Å; P282-C286 PolarHBondContact O-N 3.02Å; T283-C286 PolarHBondContact O-N 3.41Å; C286-K288 PolarHBondContact O-N 3.39Å; C286-V289 PolarHBondContact O-N 2.67Å; C286-I290 PolarHBondContact O-N 2.8Å; C286-I290 VanDerWaalsContact O-N 3.09Å; C286-V304 VanDerWaalsContact SG-C 3.57Å; C286-V304 PolarHBondContact SG-O 3.14Å; C286-I305 VanDerWaalsContact SG-C 3.57Å; C286-C306 VanDerWaalsContact CA-SG 3.58Å; C286-C306 HydrophobicContact CB-CB 4.37Å; C286-C306 WeakPolarHBondContact CB-SG 3.44Å; C286-C306 WeakPolarHBondContact SG-CB 3.37Å; C286-C306 PolarHBondContact SG-N 2.92Å; C286-C306 VanDerWaalsContact SG-N 3.4Å; C286-C306 CovalentContact SG-SG 2.06Å; C286-C306 PolarHBondContact SG-SG 3.49Å; C286-A316 HydrophobicContact CB-CB 3.81Å
287	Q	98.9	Very high	98.3	Very high	66 Å²	66	57 Å²	57	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-44.4	177	-71.6	173.9	-12.5	0	0	112.5	T283 I284 A285 V289 I290 S291 A316 I346	T283-Q287 VanDerWaalsContact O-CG 3.28Å; T283-Q287 WeakPolarHBondContact O-CG 2.98Å; T283-Q287 PolarHBondContact O-N 3.09Å; I284-Q287 PolarHBondContact O-N 3.46Å; A285-Q287 PolarHBondContact O-N 3.17Å; Q287-V289 VanDerWaalsContact C-N 3.28Å; Q287-V289 PolarHBondContact O-N 2.87Å; Q287-I290 PolarHBondContact O-N 3.28Å; Q287-S291 PolarHBondContact O-N 3.27Å; Q287-S291 PolarHBondContact O-OG 2.82Å; Q287-A316 HydrophobicContact CB-CB 4.45Å; Q287-A316 HydrophobicContact CG-CB 3.93Å; Q287-I346 HydrophobicContact CB-CD1 3.94Å; Q287-I346 HydrophobicContact CG-CD1 4.06Å
288	K	98.9	Very high	98.2	Very high	74 Å²	74	56.4 Å²	56.4	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-38	177.4	-77.8	175.5	173	167.9	0	112.2	Y275 E280 I284 A285 C286 R292	Y275-K288 HydrophobicContact CD1-CD 4.38Å; Y275-K288 HydrophobicContact CD2-CB 3.87Å; Y275-K288 HydrophobicContact CD2-CD 4.46Å; Y275-K288 HydrophobicContact CE1-CD 4.42Å; Y275-K288 HydrophobicContact CE2-CB 3.51Å; Y275-K288 HydrophobicContact CE2-CD 4.47Å; Y275-K288 HydrophobicContact CG-CD 4.43Å; E280-K288 IonicContact OE1-NZ 3.45Å; E280-K288 PolarHBondContact OE1-NZ 2.67Å; E280-K288 IonicContact OE2-NZ 3.54Å; E280-K288 PolarHBondContact OE2-NZ 3.38Å; I284-K288 HydrophobicContact CG2-CD 4.21Å; I284-K288 HydrophobicContact CG2-CG 4.5Å; I284-K288 WeakPolarHBondContact O-CB 3.46Å; I284-K288 WeakPolarHBondContact O-CG 3.09Å; I284-K288 PolarHBondContact O-N 3.22Å; A285-K288 PolarHBondContact O-N 2.91Å; C286-K288 PolarHBondContact O-N 3.39Å; K288-R292 WeakPolarHBondContact O-CB 3.01Å; K288-R292 PolarHBondContact O-N 2.98Å
289	V	98.8	Very high	97.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-50.8	175	168.4	0	0	0	0	111.1	P268 Q271 A272 Y275 A285 C286 Q287 S291 R292 I293 V304	P268-V289 HydrophobicContact CB-CG1 3.36Å; Q271-V289 HydrophobicContact CB-CG2 4.07Å; Q271-V289 HydrophobicContact CG-CG2 3.99Å; A272-V289 HydrophobicContact CB-CG2 3.95Å; Y275-V289 HydrophobicContact CD2-CG2 4.05Å; Y275-V289 HydrophobicContact CE2-CG2 3.94Å; A285-V289 WeakPolarHBondContact O-CG2 3.19Å; A285-V289 PolarHBondContact O-N 3.33Å; A285-V289 VanDerWaalsContact O-N 3.11Å; C286-V289 PolarHBondContact O-N 2.67Å; Q287-V289 VanDerWaalsContact C-N 3.28Å; Q287-V289 PolarHBondContact O-N 2.87Å; V289-S291 PolarHBondContact O-N 2.77Å; V289-R292 WeakPolarHBondContact O-CB 3.28Å; V289-R292 PolarHBondContact O-N 3.03Å; V289-I293 HydrophobicContact CG1-CD1 4.23Å; V289-I293 WeakPolarHBondContact O-CG1 3.31Å; V289-I293 PolarHBondContact O-N 3.42Å; V289-V304 HydrophobicContact CG1-CG2 4.02Å
290	I	98.8	Very high	97.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-49.5	178	-64.8	-60.5	0	0	0	110.7	C286 Q287 R292 I293 Q294 F300 V304 A316 N318 I346	C286-I290 PolarHBondContact O-N 2.8Å; C286-I290 VanDerWaalsContact O-N 3.09Å; Q287-I290 PolarHBondContact O-N 3.28Å; I290-R292 VanDerWaalsContact C-N 3.26Å; I290-R292 PolarHBondContact O-N 3.22Å; I290-I293 PolarHBondContact O-N 2.89Å; I290-Q294 HydrophobicContact CG2-CG 4.13Å; I290-Q294 WeakPolarHBondContact O-CG 3.36Å; I290-Q294 PolarHBondContact O-N 2.89Å; I290-F300 HydrophobicContact CD1-CE2 4.48Å; I290-F300 HydrophobicContact CD1-CZ 3.99Å; I290-F300 HydrophobicContact CG2-CZ 4.31Å; I290-V304 HydrophobicContact CD1-CG2 4.21Å; I290-A316 HydrophobicContact CG1-CB 3.78Å; I290-N318 HydrophobicContact CG2-CB 4.15Å; I290-I346 HydrophobicContact CB-CD1 4.21Å; I290-I346 HydrophobicContact CB-CG1 4.46Å; I290-I346 HydrophobicContact CG2-CD1 4.07Å; I290-I346 HydrophobicContact CG2-CG1 3.87Å
291	S	98.7	Very high	97.6	Very high	57 Å²	57	53.9 Å²	53.9	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-32.4	178.8	-61.9	0	0	0	0	113.8	Q287 V289 K295	Q287-S291 PolarHBondContact O-N 3.27Å; Q287-S291 PolarHBondContact O-OG 2.82Å; V289-S291 PolarHBondContact O-N 2.77Å; S291-K295 PolarHBondContact O-N 3.38Å
292	R	98.6	Very high	97.6	Very high	121 Å²	121	50.3 Å²	50.3	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-64.9	-40.3	175	-177.7	-180	175.6	84.2	0.3	111.6	F266 K288 V289 I290 Y296	F266-R292 HydrophobicContact CD1-CG 4.44Å; K288-R292 WeakPolarHBondContact O-CB 3.01Å; K288-R292 PolarHBondContact O-N 2.98Å; V289-R292 WeakPolarHBondContact O-CB 3.28Å; V289-R292 PolarHBondContact O-N 3.03Å; I290-R292 VanDerWaalsContact C-N 3.26Å; I290-R292 PolarHBondContact O-N 3.22Å; R292-Y296 WeakPolarHBondContact O-CD2 3.47Å
293	I	98.4	Very high	97.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-73.1	-44.9	178.2	-58.7	164.6	0	0	0	110.1	I262 L263 F266 P268 V289 I290 K295 Y296 F297 F300	I262-I293 HydrophobicContact CG2-CG2 3.61Å; L263-I293 HydrophobicContact CD2-CD1 4.02Å; F266-I293 HydrophobicContact CB-CD1 4.23Å; F266-I293 HydrophobicContact CB-CG1 3.78Å; F266-I293 HydrophobicContact CD1-CG1 4.09Å; F266-I293 HydrophobicContact CD2-CG1 3.97Å; F266-I293 HydrophobicContact CD2-CG2 4.19Å; F266-I293 HydrophobicContact CE2-CG2 4.23Å; F266-I293 HydrophobicContact CG-CG1 3.68Å; P268-I293 HydrophobicContact CB-CD1 4.45Å; V289-I293 HydrophobicContact CG1-CD1 4.23Å; V289-I293 WeakPolarHBondContact O-CG1 3.31Å; V289-I293 PolarHBondContact O-N 3.42Å; I290-I293 PolarHBondContact O-N 2.89Å; I293-K295 PolarHBondContact O-N 3.17Å; I293-K295 VanDerWaalsContact O-N 3.09Å; I293-Y296 PolarHBondContact O-N 3.07Å; I293-F297 HydrophobicContact CG2-CB 4.44Å; I293-F297 PolarHBondContact O-N 3.44Å; I293-F300 HydrophobicContact CB-CD1 4.45Å; I293-F300 HydrophobicContact CB-CE1 3.76Å; I293-F300 HydrophobicContact CB-CE2 4.11Å; I293-F300 HydrophobicContact CB-CZ 3.56Å; I293-F300 HydrophobicContact CD1-CE2 3.92Å; I293-F300 HydrophobicContact CD1-CZ 3.92Å; I293-F300 HydrophobicContact CG1-CZ 4.35Å; I293-F300 HydrophobicContact CG2-CD1 3.73Å; I293-F300 HydrophobicContact CG2-CD2 3.77Å; I293-F300 HydrophobicContact CG2-CE1 3.53Å; I293-F300 HydrophobicContact CG2-CE2 3.63Å; I293-F300 HydrophobicContact CG2-CG 3.81Å; I293-F300 HydrophobicContact CG2-CZ 3.48Å; I293-F300 VanDerWaalsContact CG2-CZ 3.48Å
294	Q	97.6	Very high	97.6	Very high	41 Å²	41	48.2 Å²	48.2	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-50.8	-36.2	177.4	-76.4	179.6	-45.5	0	0	113.1	I290 Y296 F297 P298 F300 N318 I346	I290-Q294 HydrophobicContact CG2-CG 4.13Å; I290-Q294 WeakPolarHBondContact O-CG 3.36Å; I290-Q294 PolarHBondContact O-N 2.89Å; Q294-Y296 PolarHBondContact O-N 3.5Å; Q294-Y296 VanDerWaalsContact O-N 3.14Å; Q294-F297 CarbonylContact O-C 3.37Å; Q294-P298 WeakPolarHBondContact O-CA 3.36Å; Q294-P298 WeakPolarHBondContact O-CD 3.26Å; Q294-F300 HydrophobicContact CG-CE1 3.89Å; Q294-N318 VanDerWaalsContact CD-OD1 3.32Å; Q294-N318 WeakPolarHBondContact CG-OD1 3.35Å; Q294-N318 PolarHBondContact NE2-OD1 3.01Å; Q294-I346 PolarHBondContact NE2-O 3.08Å
295	K	97.8	Very high	97.6	Very high	163 Å²	163	45 Å²	45	71%	0.709	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	177.9	-177.5	176.1	177.3	-179	0	113.3	S291 I293	S291-K295 PolarHBondContact O-N 3.38Å; I293-K295 PolarHBondContact O-N 3.17Å; I293-K295 VanDerWaalsContact O-N 3.09Å
296	Y	97.4	Very high	97.6	Very high	136 Å²	136	45 Å²	45	53%	0.533	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-35.9	-178.3	-62.5	-86.6	0	0	0	112.2	F266 R292 I293 Q294	F266-Y296 AromaticContact CE1-CD2 3.57Å; F266-Y296 HydrophobicContact CE1-CD2 3.57Å; F266-Y296 HydrophobicContact CE1-CE2 4.04Å; F266-Y296 HydrophobicContact CE1-CG 4.26Å; F266-Y296 AromaticContact CZ-CD2 3.72Å; F266-Y296 HydrophobicContact CZ-CD2 3.72Å; F266-Y296 AromaticContact CZ-CG 3.96Å; F266-Y296 HydrophobicContact CZ-CG 3.96Å; R292-Y296 WeakPolarHBondContact O-CD2 3.47Å; I293-Y296 PolarHBondContact O-N 3.07Å; Q294-Y296 PolarHBondContact O-N 3.5Å; Q294-Y296 VanDerWaalsContact O-N 3.14Å
297	F	96.6	Very high	97.6	Very high	68 Å²	68	45 Å²	45	30%	0.298	21%	0.209	S	C	.	.			trans	-130.8	78	-177.3	-59.2	-82.4	0	0	0	108.7	I262 F266 I293 Q294 E299 F300	I262-F297 HydrophobicContact CD1-CB 4.04Å; I262-F297 HydrophobicContact CD1-CD1 3.86Å; I262-F297 HydrophobicContact CD1-CG 3.94Å; I262-F297 HydrophobicContact CG1-CD1 4.29Å; I262-F297 HydrophobicContact CG1-CG 4.34Å; I262-F297 HydrophobicContact CG2-CB 4.3Å; I262-F297 HydrophobicContact CG2-CD2 3.94Å; I262-F297 HydrophobicContact CG2-CG 4.13Å; F266-F297 AromaticContact CE2-CD2 3.62Å; F266-F297 HydrophobicContact CE2-CD2 3.62Å; F266-F297 AromaticContact CE2-CE2 3.55Å; F266-F297 HydrophobicContact CE2-CE2 3.55Å; F266-F297 AromaticContact CZ-CD2 3.89Å; F266-F297 HydrophobicContact CZ-CD2 3.89Å; F266-F297 AromaticContact CZ-CE2 3.8Å; F266-F297 HydrophobicContact CZ-CE2 3.8Å; I293-F297 HydrophobicContact CG2-CB 4.44Å; I293-F297 PolarHBondContact O-N 3.44Å; Q294-F297 CarbonylContact O-C 3.37Å; F297-E299 PolarHBondContact O-N 2.78Å; F297-F300 HydrophobicContact CB-CB 4.04Å; F297-F300 WeakPolarHBondContact O-CD1 3.42Å; F297-F300 PolarHBondContact O-N 3.43Å
298	P	95.4	Very high	97.5	Very high	78 Å²	78	42.9 Å²	42.9	51%	0.506	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.2	-174.7	23.6	-33.4	0	0	0	113.6	Q294 N318	Q294-P298 WeakPolarHBondContact O-CA 3.36Å; Q294-P298 WeakPolarHBondContact O-CD 3.26Å; P298-N318 PolarHBondContact O-ND2 3.41Å
299	E	92.7	Very high	97.4	Very high	112 Å²	112	42.4 Å²	42.4	52%	0.523	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	19.1	-175.1	-57.9	-65.5	137.7	0	0	113.2	R202 F297 L320	R202-E299 PolarHBondContact NH1-O 2.89Å; F297-E299 PolarHBondContact O-N 2.78Å; E299-L320 HydrophobicContact CB-CD2 4.41Å
300	F	94.3	Very high	97.3	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	21%	0.214	C	C	.	.			trans	-73.5	145.9	178.3	84.5	-68.7	0	0	0	111.5	I262 L263 I290 I293 Q294 F297 N318	I262-F300 HydrophobicContact CD1-CB 3.63Å; I262-F300 HydrophobicContact CG2-CB 4.21Å; I262-F300 HydrophobicContact CG2-CD2 4.2Å; I262-F300 HydrophobicContact CG2-CG 4.36Å; L263-F300 HydrophobicContact CD2-CD2 4.47Å; L263-F300 HydrophobicContact CD2-CE2 4.04Å; I290-F300 HydrophobicContact CD1-CE2 4.48Å; I290-F300 HydrophobicContact CD1-CZ 3.99Å; I290-F300 HydrophobicContact CG2-CZ 4.31Å; I293-F300 HydrophobicContact CB-CD1 4.45Å; I293-F300 HydrophobicContact CB-CE1 3.76Å; I293-F300 HydrophobicContact CB-CE2 4.11Å; I293-F300 HydrophobicContact CB-CZ 3.56Å; I293-F300 HydrophobicContact CD1-CE2 3.92Å; I293-F300 HydrophobicContact CD1-CZ 3.92Å; I293-F300 HydrophobicContact CG1-CZ 4.35Å; I293-F300 HydrophobicContact CG2-CD1 3.73Å; I293-F300 HydrophobicContact CG2-CD2 3.77Å; I293-F300 HydrophobicContact CG2-CE1 3.53Å; I293-F300 HydrophobicContact CG2-CE2 3.63Å; I293-F300 HydrophobicContact CG2-CG 3.81Å; I293-F300 HydrophobicContact CG2-CZ 3.48Å; I293-F300 VanDerWaalsContact CG2-CZ 3.48Å; Q294-F300 HydrophobicContact CG-CE1 3.89Å; F297-F300 HydrophobicContact CB-CB 4.04Å; F297-F300 WeakPolarHBondContact O-CD1 3.42Å; F297-F300 PolarHBondContact O-N 3.43Å; F300-N318 HydrophobicContact CD1-CB 3.84Å; F300-N318 WeakPolarHBondContact CD1-ND2 3.3Å; F300-N318 HydrophobicContact CE1-CB 3.46Å; F300-N318 VanDerWaalsContact CE1-CB 3.46Å; F300-N318 HydrophobicContact CE2-CB 4.43Å; F300-N318 HydrophobicContact CZ-CB 3.79Å; F300-N318 WeakPolarHBondContact O-CB 3.46Å; F300-N318 PolarHBondContact O-ND2 3.21Å
301	F	95.4	Very high	97.1	Very high	21 Å²	21	44.3 Å²	44.3	9%	0.092	22%	0.215	C	C	.	.			trans	-87.8	131.4	167.1	174.1	-104.2	0	0	0	109	W34 R202 G258 D259 L320 F323	W34-F301 HydrophobicContact CH2-CE2 4.19Å; W34-F301 AromaticContact CH2-CZ 3.61Å; W34-F301 HydrophobicContact CH2-CZ 3.61Å; W34-F301 HydrophobicContact CZ2-CE1 4.31Å; W34-F301 AromaticContact CZ2-CZ 3.72Å; W34-F301 HydrophobicContact CZ2-CZ 3.72Å; R202-F301 HydrophobicContact CB-CB 4.49Å; R202-F301 WeakPolarHBondContact O-CB 3.23Å; G258-F301 VanDerWaalsContact CA-CD1 3.41Å; D259-F301 PolarHBondContact N-O 3.02Å; F301-L320 HydrophobicContact CB-CD1 3.96Å; F301-L320 HydrophobicContact CD2-CD1 4.36Å; F301-F323 HydrophobicContact CD2-CB 4.31Å; F301-F323 AromaticContact CD2-CD1 3.67Å; F301-F323 HydrophobicContact CD2-CD1 3.67Å; F301-F323 HydrophobicContact CD2-CE1 4.01Å; F301-F323 AromaticContact CD2-CG 3.95Å; F301-F323 HydrophobicContact CD2-CG 3.95Å; F301-F323 HydrophobicContact CE2-CB 4.33Å; F301-F323 AromaticContact CE2-CD1 3.7Å; F301-F323 HydrophobicContact CE2-CD1 3.7Å; F301-F323 AromaticContact CE2-CD2 3.85Å; F301-F323 HydrophobicContact CE2-CD2 3.85Å; F301-F323 AromaticContact CE2-CE1 3.79Å; F301-F323 HydrophobicContact CE2-CE1 3.79Å; F301-F323 AromaticContact CE2-CE2 3.98Å; F301-F323 HydrophobicContact CE2-CE2 3.98Å; F301-F323 AromaticContact CE2-CG 3.71Å; F301-F323 HydrophobicContact CE2-CG 3.71Å; F301-F323 AromaticContact CE2-CZ 3.94Å; F301-F323 HydrophobicContact CE2-CZ 3.94Å
302	G	96.8	Very high	97.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	157.6	171	0	0	0	0	0	114.2	T257 C317 N318	T257-G302 CarbonylContact O-C 3.58Å; T257-G302 WeakPolarHBondContact O-CA 3.16Å; G302-C317 VanDerWaalsContact O-CA 3.31Å; G302-C317 WeakPolarHBondContact O-CA 3.38Å; G302-N318 PolarHBondContact O-N 2.03Å
303	A	98.6	Very high	97.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.9	177.3	0	0	0	0	0	110.8	A256 T257 A316 C317 F326	A256-A303 WeakPolarHBondContact CA-O 3.41Å; T257-A303 HydrophobicContact CG2-CB 3.95Å; T257-A303 PolarHBondContact N-O 3.48Å; T257-A303 PolarHBondContact O-N 2.92Å; A303-A316 CarbonylContact C-O 3.54Å; A303-A316 WeakPolarHBondContact CA-O 3.45Å; A303-A316 WeakPolarHBondContact CB-O 3.4Å; A303-C317 HydrophobicContact CB-CB 3.72Å; A303-F326 HydrophobicContact CB-CB 4.35Å; A303-F326 HydrophobicContact CB-CD1 3.63Å; A303-F326 HydrophobicContact CB-CD2 3.69Å; A303-F326 HydrophobicContact CB-CE1 3.7Å; A303-F326 HydrophobicContact CB-CE2 3.77Å; A303-F326 HydrophobicContact CB-CG 3.62Å; A303-F326 HydrophobicContact CB-CZ 3.77Å
304	V	98.8	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.6	176.2	-173.3	0	0	0	0	108.4	A254 A255 A256 P268 A272 C286 V289 I290 A315 A316	A254-V304 HydrophobicContact CB-CG1 4.27Å; A255-V304 WeakPolarHBondContact O-CA 3.48Å; A256-V304 HydrophobicContact CB-CG2 4.2Å; P268-V304 HydrophobicContact CB-CG2 3.96Å; A272-V304 HydrophobicContact CB-CG1 4.48Å; C286-V304 VanDerWaalsContact SG-C 3.57Å; C286-V304 PolarHBondContact SG-O 3.14Å; V289-V304 HydrophobicContact CG1-CG2 4.02Å; I290-V304 HydrophobicContact CD1-CG2 4.21Å; V304-A315 CarbonylContact O-C 3.54Å; V304-A315 WeakPolarHBondContact O-CA 3.4Å; V304-A316 PolarHBondContact N-O 3.36Å; V304-A316 PolarHBondContact O-N 2.78Å
305	I	98.9	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.4	164.6	57.7	170.5	0	0	0	109.5	L31 T33 V210 A254 A255 C286 A315 F326 F328	L31-I305 HydrophobicContact CB-CD1 3.85Å; T33-I305 HydrophobicContact CG2-CD1 4.04Å; T33-I305 HydrophobicContact CG2-CG1 4.04Å; T33-I305 HydrophobicContact CG2-CG2 4.32Å; V210-I305 HydrophobicContact CG2-CD1 4.45Å; A254-I305 WeakPolarHBondContact CA-O 3.2Å; A254-I305 WeakPolarHBondContact CB-O 3.21Å; A255-I305 HydrophobicContact CB-CD1 4.3Å; A255-I305 HydrophobicContact CB-CG1 4.03Å; A255-I305 PolarHBondContact N-O 3.49Å; A255-I305 WeakPolarHBondContact O-CG1 3.3Å; A255-I305 PolarHBondContact O-N 3.33Å; C286-I305 VanDerWaalsContact SG-C 3.57Å; I305-A315 HydrophobicContact CG2-CB 4.04Å; I305-F326 HydrophobicContact CG2-CE1 3.71Å; I305-F326 HydrophobicContact CG2-CZ 4.17Å; I305-F328 HydrophobicContact CG2-CB 3.83Å; I305-F328 HydrophobicContact CG2-CD2 4.03Å; I305-F328 HydrophobicContact CG2-CG 3.93Å
306	C	98.8	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.5	-175.4	-58.8	0	0	0	0	109.7	M276 P282 C286 Y313 G314	M276-C306 HydrophobicContact CE-CB 4.27Å; M276-C306 HydrophobicContact SD-CB 4.03Å; P282-C306 HydrophobicContact CB-CB 3.75Å; P282-C306 WeakPolarHBondContact O-CB 3.45Å; C286-C306 VanDerWaalsContact CA-SG 3.58Å; C286-C306 HydrophobicContact CB-CB 4.37Å; C286-C306 WeakPolarHBondContact CB-SG 3.44Å; C286-C306 WeakPolarHBondContact SG-CB 3.37Å; C286-C306 PolarHBondContact SG-N 2.92Å; C286-C306 VanDerWaalsContact SG-N 3.4Å; C286-C306 CovalentContact SG-SG 2.06Å; C286-C306 PolarHBondContact SG-SG 3.49Å; C306-Y313 CarbonylContact O-C 3.58Å; C306-Y313 WeakPolarHBondContact O-CA 3.29Å; C306-Y313 WeakPolarHBondContact O-CB 3.4Å; C306-G314 PolarHBondContact N-O 3.24Å; C306-G314 PolarHBondContact O-N 3.13Å
307	A	98.7	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.2	166.3	0	0	0	0	0	111.1	L29 L31 V210 I212 G252 A253 M276 S312	L29-A307 HydrophobicContact CD2-CB 3.79Å; L31-A307 HydrophobicContact CD1-CB 3.75Å; V210-A307 HydrophobicContact CG1-CB 3.92Å; I212-A307 HydrophobicContact CD1-CB 3.82Å; G252-A307 CarbonylContact C-O 3.59Å; G252-A307 WeakPolarHBondContact CA-O 3.23Å; A253-A307 PolarHBondContact N-O 3.33Å; A253-A307 PolarHBondContact O-N 3.39Å; M276-A307 WeakPolarHBondContact CE-O 3.33Å; A307-S312 CarbonylContact C-O 3.54Å; A307-S312 VanDerWaalsContact CA-O 3.28Å; A307-S312 WeakPolarHBondContact CA-O 3.48Å
308	N	98.2	Very high	97.3	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.112	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	172.9	176.4	70.1	12.1	0	0	0	112.3	I212 A251 M276 P282 T310 G311 S312	I212-N308 WeakPolarHBondContact CD1-O 3.16Å; A251-N308 WeakPolarHBondContact O-CA 3.37Å; M276-N308 HydrophobicContact SD-CB 3.89Å; P282-N308 HydrophobicContact CG-CB 3.95Å; N308-T310 PolarHBondContact ND2-OG1 2.8Å; N308-T310 PolarHBondContact O-N 3.42Å; N308-T310 PolarHBondContact OD1-N 3.3Å; N308-T310 VanDerWaalsContact OD1-N 3.17Å; N308-T310 PolarHBondContact OD1-OG1 3.45Å; N308-G311 PolarHBondContact O-N 2.99Å; N308-S312 PolarHBondContact N-O 3.42Å; N308-S312 WeakPolarHBondContact OD1-CB 3Å; N308-S312 PolarHBondContact OD1-N 2.63Å; N308-S312 VanDerWaalsContact OD1-N 3.1Å; N308-S312 PolarHBondContact OD1-O 2.75Å
309	V	97.1	Very high	97.4	Very high	64 Å²	64	23 Å²	23	39%	0.388	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.9	-178.5	-60.7	0	0	0	0	115.1	I218 D249 A251 G311	I218-V309 HydrophobicContact CD1-CG1 4.16Å; D249-V309 WeakPolarHBondContact O-CG1 3.17Å; A251-V309 PolarHBondContact O-N 3Å; V309-G311 VanDerWaalsContact C-N 3.27Å
310	T	95.3	Very high	97.5	Very high	42 Å²	42	18.8 Å²	18.8	26%	0.258	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.8	177.2	62.9	0	0	0	0	113	S25 N308 S312	S25-T310 PolarHBondContact N-O 2.77Å; N308-T310 PolarHBondContact ND2-OG1 2.8Å; N308-T310 PolarHBondContact O-N 3.42Å; N308-T310 PolarHBondContact OD1-N 3.3Å; N308-T310 VanDerWaalsContact OD1-N 3.17Å; N308-T310 PolarHBondContact OD1-OG1 3.45Å; T310-S312 PolarHBondContact O-N 3.33Å; T310-S312 PolarHBondContact OG1-OG 3.01Å; T310-S312 VanDerWaalsContact OG1-OG 3.06Å
311	G	96	Very high	97.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	77.8	1.9	-173.4	0	0	0	0	0	113.6	S25 N308 V309	S25-G311 VanDerWaalsContact CB-C 3.48Å; S25-G311 WeakPolarHBondContact CB-O 3.16Å; N308-G311 PolarHBondContact O-N 2.99Å; V309-G311 VanDerWaalsContact C-N 3.27Å
312	S	97.4	Very high	96.9	Very high	24 Å²	24	27.7 Å²	27.7	17%	0.168	17%	0.169	C	C	.	.			trans	-70.2	146.6	173.4	-52.3	0	0	0	0	108.6	P282 A307 N308 T310	P282-S312 WeakPolarHBondContact CG-O 3.31Å; A307-S312 CarbonylContact C-O 3.54Å; A307-S312 VanDerWaalsContact CA-O 3.28Å; A307-S312 WeakPolarHBondContact CA-O 3.48Å; N308-S312 PolarHBondContact N-O 3.42Å; N308-S312 WeakPolarHBondContact OD1-CB 3Å; N308-S312 PolarHBondContact OD1-N 2.63Å; N308-S312 VanDerWaalsContact OD1-N 3.1Å; N308-S312 PolarHBondContact OD1-O 2.75Å; T310-S312 PolarHBondContact O-N 3.33Å; T310-S312 PolarHBondContact OG1-OG 3.01Å; T310-S312 VanDerWaalsContact OG1-OG 3.06Å
313	Y	98.4	Very high	96.7	Very high	60 Å²	60	28.8 Å²	28.8	24%	0.235	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.2	-177	62	-94.4	0	0	0	111.7	L29 L31 C306 F328 V330 E341	L29-Y313 HydrophobicContact CD1-CD1 4.06Å; L29-Y313 HydrophobicContact CD1-CE1 4.42Å; L29-Y313 HydrophobicContact CD2-CD1 4.27Å; L31-Y313 HydrophobicContact CD1-CG 4.49Å; L31-Y313 HydrophobicContact CD2-CD1 4.5Å; L31-Y313 HydrophobicContact CD2-CD2 4.29Å; L31-Y313 HydrophobicContact CD2-CG 4.08Å; C306-Y313 CarbonylContact O-C 3.58Å; C306-Y313 WeakPolarHBondContact O-CA 3.29Å; C306-Y313 WeakPolarHBondContact O-CB 3.4Å; Y313-F328 AromaticContact CD2-CE2 3.96Å; Y313-F328 HydrophobicContact CD2-CE2 3.96Å; Y313-F328 HydrophobicContact CD2-CZ 4.18Å; Y313-F328 HydrophobicContact CE2-CE2 4.16Å; Y313-F328 HydrophobicContact CE2-CZ 4.21Å; Y313-V330 HydrophobicContact CD1-CG1 4.45Å; Y313-V330 HydrophobicContact CD2-CG2 4.25Å; Y313-V330 HydrophobicContact CE1-CG1 3.87Å; Y313-V330 HydrophobicContact CE2-CG1 4.26Å; Y313-V330 HydrophobicContact CE2-CG2 3.81Å; Y313-E341 HydrophobicContact CE2-CG 4.45Å
314	G	98.4	Very high	96.5	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	171.2	179	0	0	0	0	0	111.5	T283 C306	T283-G314 WeakPolarHBondContact OG1-CA 3.38Å; C306-G314 PolarHBondContact N-O 3.24Å; C306-G314 PolarHBondContact O-N 3.13Å
315	A	98.9	Very high	96.5	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.7	176.3	0	0	0	0	0	110.4	V304 I305 F326 F328 V343	V304-A315 CarbonylContact O-C 3.54Å; V304-A315 WeakPolarHBondContact O-CA 3.4Å; I305-A315 HydrophobicContact CG2-CB 4.04Å; A315-F326 HydrophobicContact CB-CD1 4.14Å; A315-F326 HydrophobicContact CB-CE1 4.17Å; A315-F328 HydrophobicContact CB-CD1 3.79Å; A315-F328 HydrophobicContact CB-CE1 3.6Å; A315-F328 HydrophobicContact CB-CG 4.41Å; A315-F328 HydrophobicContact CB-CZ 4.06Å; A315-V343 HydrophobicContact CB-CG1 4.21Å; A315-V343 HydrophobicContact CB-CG2 3.97Å
316	A	98.8	Very high	96.4	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154	168.8	0	0	0	0	0	110.2	C286 Q287 I290 A303 V304	C286-A316 HydrophobicContact CB-CB 3.81Å; Q287-A316 HydrophobicContact CB-CB 4.45Å; Q287-A316 HydrophobicContact CG-CB 3.93Å; I290-A316 HydrophobicContact CG1-CB 3.78Å; A303-A316 CarbonylContact C-O 3.54Å; A303-A316 WeakPolarHBondContact CA-O 3.45Å; A303-A316 WeakPolarHBondContact CB-O 3.4Å; V304-A316 PolarHBondContact N-O 3.36Å; V304-A316 PolarHBondContact O-N 2.78Å
317	C	98.6	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.9	177.2	50.2	0	0	0	0	111.3	G302 A303 F323 F326 C345 I346	G302-C317 VanDerWaalsContact O-CA 3.31Å; G302-C317 WeakPolarHBondContact O-CA 3.38Å; A303-C317 HydrophobicContact CB-CB 3.72Å; C317-F323 HydrophobicContact CB-CE1 3.67Å; C317-F323 HydrophobicContact CB-CZ 4.06Å; C317-F326 HydrophobicContact CB-CB 3.61Å; C317-F326 HydrophobicContact CB-CG 4.28Å; C317-F326 WeakPolarHBondContact SG-CB 3.41Å; C317-C345 HydrophobicContact CB-CB 4Å; C317-C345 WeakPolarHBondContact CB-SG 3.47Å; C317-C345 WeakPolarHBondContact O-CA 3.34Å; C317-C345 WeakPolarHBondContact O-CB 2.89Å; C317-C345 WeakPolarHBondContact SG-CA 3.45Å; C317-C345 WeakPolarHBondContact SG-CB 3.41Å; C317-C345 CovalentContact SG-SG 2.03Å; C317-C345 PolarHBondContact SG-SG 3.06Å; C317-I346 PolarHBondContact O-N 3.07Å
318	N	98	Very high	96.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.222	C	C	.	.			trans	-78.1	130.2	172.9	-172.7	42.4	0	0	0	110.9	I290 Q294 P298 F300 G302 L320 F323	I290-N318 HydrophobicContact CG2-CB 4.15Å; Q294-N318 VanDerWaalsContact CD-OD1 3.32Å; Q294-N318 WeakPolarHBondContact CG-OD1 3.35Å; Q294-N318 PolarHBondContact NE2-OD1 3.01Å; P298-N318 PolarHBondContact O-ND2 3.41Å; F300-N318 HydrophobicContact CD1-CB 3.84Å; F300-N318 WeakPolarHBondContact CD1-ND2 3.3Å; F300-N318 HydrophobicContact CE1-CB 3.46Å; F300-N318 VanDerWaalsContact CE1-CB 3.46Å; F300-N318 HydrophobicContact CE2-CB 4.43Å; F300-N318 HydrophobicContact CZ-CB 3.79Å; F300-N318 WeakPolarHBondContact O-CB 3.46Å; F300-N318 PolarHBondContact O-ND2 3.21Å; G302-N318 PolarHBondContact O-N 2.03Å; N318-L320 PolarHBondContact O-N 3.41Å; N318-F323 WeakPolarHBondContact O-CD1 3.41Å
319	K	97.3	Very high	96.4	Very high	122 Å²	122	37 Å²	37	53%	0.53	22%	0.218	S	C	.	.			trans	-77.4	121.2	179.9	-171.4	174.7	-177	169.3	0	111.9	C345 I346	K319-C345 VanDerWaalsContact CA-CB 3.47Å; K319-C345 HydrophobicContact CB-CB 3.73Å; K319-C345 HydrophobicContact CG-CB 4.3Å; K319-I346 WeakPolarHBondContact CB-O 3.46Å; K319-I346 PolarHBondContact N-O 3.16Å
320	L	94.1	Very high	96.4	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.126	20%	0.199	C	C	.	.			trans	-120.9	166.5	169.7	-55.9	176.8	0	0	0	110.4	E299 F301 N318 A322 F323 T324	E299-L320 HydrophobicContact CB-CD2 4.41Å; F301-L320 HydrophobicContact CB-CD1 3.96Å; F301-L320 HydrophobicContact CD2-CD1 4.36Å; N318-L320 PolarHBondContact O-N 3.41Å; L320-A322 VanDerWaalsContact C-N 3.28Å; L320-A322 PolarHBondContact O-N 3.36Å; L320-F323 HydrophobicContact CB-CB 4.16Å; L320-F323 PolarHBondContact N-O 2.98Å; L320-F323 CarbonylContact O-C 3.58Å; L320-F323 PolarHBondContact O-N 3.36Å; L320-F323 VanDerWaalsContact O-O 3.12Å; L320-T324 WeakPolarHBondContact O-CG2 3.39Å
321	S	89.9	Confident	96.6	Very high	110 Å²	110	33.3 Å²	33.3	77%	0.769	19%	0.192	S	C	*	.	S	Bend	trans	-57.4	-39.3	178.3	55.4	0	0	0	0	113.1
322	A	87.5	Confident	96.6	Very high	102 Å²	102	33.5 Å²	33.5	84%	0.843	19%	0.193	S	C	*	.	S	Bend	trans	-97.1	-3.8	178.7	0	0	0	0	0	114	L320	L320-A322 VanDerWaalsContact C-N 3.28Å; L320-A322 PolarHBondContact O-N 3.36Å
323	F	92.9	Very high	96.1	Very high	23 Å²	23	35.5 Å²	35.5	10%	0.101	21%	0.207	C	C	.	.			trans	-137.5	88.5	-177.2	-174.9	-121.5	0	0	0	110	W34 F301 C317 N318 L320 Q325 F326	W34-F323 AromaticContact CH2-CE2 3.61Å; W34-F323 HydrophobicContact CH2-CE2 3.61Å; W34-F323 AromaticContact CH2-CZ 3.78Å; W34-F323 HydrophobicContact CH2-CZ 3.78Å; W34-F323 AromaticContact CZ3-CE2 3.89Å; W34-F323 HydrophobicContact CZ3-CE2 3.89Å; W34-F323 HydrophobicContact CZ3-CZ 4.38Å; F301-F323 HydrophobicContact CD2-CB 4.31Å; F301-F323 AromaticContact CD2-CD1 3.67Å; F301-F323 HydrophobicContact CD2-CD1 3.67Å; F301-F323 HydrophobicContact CD2-CE1 4.01Å; F301-F323 AromaticContact CD2-CG 3.95Å; F301-F323 HydrophobicContact CD2-CG 3.95Å; F301-F323 HydrophobicContact CE2-CB 4.33Å; F301-F323 AromaticContact CE2-CD1 3.7Å; F301-F323 HydrophobicContact CE2-CD1 3.7Å; F301-F323 AromaticContact CE2-CD2 3.85Å; F301-F323 HydrophobicContact CE2-CD2 3.85Å; F301-F323 AromaticContact CE2-CE1 3.79Å; F301-F323 HydrophobicContact CE2-CE1 3.79Å; F301-F323 AromaticContact CE2-CE2 3.98Å; F301-F323 HydrophobicContact CE2-CE2 3.98Å; F301-F323 AromaticContact CE2-CG 3.71Å; F301-F323 HydrophobicContact CE2-CG 3.71Å; F301-F323 AromaticContact CE2-CZ 3.94Å; F301-F323 HydrophobicContact CE2-CZ 3.94Å; C317-F323 HydrophobicContact CB-CE1 3.67Å; C317-F323 HydrophobicContact CB-CZ 4.06Å; N318-F323 WeakPolarHBondContact O-CD1 3.41Å; L320-F323 HydrophobicContact CB-CB 4.16Å; L320-F323 PolarHBondContact N-O 2.98Å; L320-F323 CarbonylContact O-C 3.58Å; L320-F323 PolarHBondContact O-N 3.36Å; L320-F323 VanDerWaalsContact O-O 3.12Å; F323-Q325 VanDerWaalsContact CE2-O 3.26Å; F323-Q325 WeakPolarHBondContact CE2-O 3.47Å; F323-F326 HydrophobicContact CE2-CB 4.35Å; F323-F326 HydrophobicContact CE2-CD2 4.45Å; F323-F326 HydrophobicContact CZ-CB 3.82Å; F323-F326 AromaticContact CZ-CD2 3.93Å; F323-F326 HydrophobicContact CZ-CD2 3.93Å; F323-F326 HydrophobicContact CZ-CG 4.26Å
324	T	95.6	Very high	95.7	Very high	71 Å²	71	39.5 Å²	39.5	44%	0.436	23%	0.228	S	C	.	.			trans	-107.1	-16.1	-174.8	55.9	0	0	0	0	113.5	L320 C345	L320-T324 WeakPolarHBondContact O-CG2 3.39Å; T324-C345 VanDerWaalsContact C-SG 3.54Å; T324-C345 PolarHBondContact O-N 3.05Å
325	Q	97	Very high	95.2	Very high	94 Å²	94	41.1 Å²	41.1	44%	0.439	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.9	176.7	-67.8	-170	-36.7	0	0	109.9	F323 V343 D344	F323-Q325 VanDerWaalsContact CE2-O 3.26Å; F323-Q325 WeakPolarHBondContact CE2-O 3.47Å; Q325-V343 VanDerWaalsContact CA-O 3.3Å; Q325-V343 WeakPolarHBondContact CA-O 3.24Å; Q325-D344 WeakPolarHBondContact CG-OD1 3.31Å; Q325-D344 PolarHBondContact NE2-OD1 2.64Å
326	F	98	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.6	172.3	173.1	-120.5	0	0	0	109.8	T33 W34 T257 A303 I305 A315 C317 F323 F328 K342 V343	T33-F326 HydrophobicContact CG2-CZ 4Å; W34-F326 AromaticContact CD2-CE2 3.97Å; W34-F326 HydrophobicContact CD2-CE2 3.97Å; W34-F326 AromaticContact CE2-CE2 3.93Å; W34-F326 HydrophobicContact CE3-CD2 4.24Å; W34-F326 HydrophobicContact CE3-CE2 4.1Å; W34-F326 HydrophobicContact CH2-CD2 4Å; W34-F326 HydrophobicContact CH2-CE2 4.17Å; W34-F326 HydrophobicContact CZ2-CD2 4.29Å; W34-F326 HydrophobicContact CZ2-CE2 4.02Å; W34-F326 AromaticContact CZ3-CD2 3.98Å; W34-F326 HydrophobicContact CZ3-CD2 3.98Å; W34-F326 HydrophobicContact CZ3-CE2 4.21Å; T257-F326 HydrophobicContact CG2-CE2 3.99Å; T257-F326 HydrophobicContact CG2-CZ 4.16Å; A303-F326 HydrophobicContact CB-CB 4.35Å; A303-F326 HydrophobicContact CB-CD1 3.63Å; A303-F326 HydrophobicContact CB-CD2 3.69Å; A303-F326 HydrophobicContact CB-CE1 3.7Å; A303-F326 HydrophobicContact CB-CE2 3.77Å; A303-F326 HydrophobicContact CB-CG 3.62Å; A303-F326 HydrophobicContact CB-CZ 3.77Å; I305-F326 HydrophobicContact CG2-CE1 3.71Å; I305-F326 HydrophobicContact CG2-CZ 4.17Å; A315-F326 HydrophobicContact CB-CD1 4.14Å; A315-F326 HydrophobicContact CB-CE1 4.17Å; C317-F326 HydrophobicContact CB-CB 3.61Å; C317-F326 HydrophobicContact CB-CG 4.28Å; C317-F326 WeakPolarHBondContact SG-CB 3.41Å; F323-F326 HydrophobicContact CE2-CB 4.35Å; F323-F326 HydrophobicContact CE2-CD2 4.45Å; F323-F326 HydrophobicContact CZ-CB 3.82Å; F323-F326 AromaticContact CZ-CD2 3.93Å; F323-F326 HydrophobicContact CZ-CD2 3.93Å; F323-F326 HydrophobicContact CZ-CG 4.26Å; F326-F328 HydrophobicContact CE1-CB 4.02Å; F326-F328 HydrophobicContact CE1-CD1 4.45Å; F326-F328 HydrophobicContact CZ-CB 4.18Å; F326-K342 WeakPolarHBondContact O-CA 3.29Å; F326-V343 HydrophobicContact CB-CG2 4.1Å; F326-V343 HydrophobicContact CD1-CG2 4.19Å; F326-V343 PolarHBondContact N-O 3.42Å; F326-V343 PolarHBondContact O-N 3.12Å
327	S	97.9	Very high	94.5	Very high	19 Å²	19	54 Å²	54	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140	178	-50.5	0	0	0	0	109.5	W34 E340 E341 K342	W34-S327 WeakPolarHBondContact CA-O 3.35Å; W34-S327 PolarHBondContact N-O 3.13Å; S327-E340 WeakPolarHBondContact CB-OE1 3.09Å; S327-E340 PolarHBondContact OG-OE1 2.89Å; S327-E341 VanDerWaalsContact CA-O 3.3Å; S327-E341 WeakPolarHBondContact CA-O 3.21Å; S327-K342 WeakPolarHBondContact OG-CE 3.35Å
328	F	98.6	Very high	94.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.022	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.8	178	68.9	-78.1	0	0	0	109.6	L31 N32 I305 Y313 A315 F326 V330 E341 V343	L31-F328 HydrophobicContact CD2-CE2 4.47Å; N32-F328 WeakPolarHBondContact O-CA 3.45Å; N32-F328 WeakPolarHBondContact O-CB 3.36Å; I305-F328 HydrophobicContact CG2-CB 3.83Å; I305-F328 HydrophobicContact CG2-CD2 4.03Å; I305-F328 HydrophobicContact CG2-CG 3.93Å; Y313-F328 AromaticContact CD2-CE2 3.96Å; Y313-F328 HydrophobicContact CD2-CE2 3.96Å; Y313-F328 HydrophobicContact CD2-CZ 4.18Å; Y313-F328 HydrophobicContact CE2-CE2 4.16Å; Y313-F328 HydrophobicContact CE2-CZ 4.21Å; A315-F328 HydrophobicContact CB-CD1 3.79Å; A315-F328 HydrophobicContact CB-CE1 3.6Å; A315-F328 HydrophobicContact CB-CG 4.41Å; A315-F328 HydrophobicContact CB-CZ 4.06Å; F326-F328 HydrophobicContact CE1-CB 4.02Å; F326-F328 HydrophobicContact CE1-CD1 4.45Å; F326-F328 HydrophobicContact CZ-CB 4.18Å; F328-V330 HydrophobicContact CD2-CG2 3.74Å; F328-V330 HydrophobicContact CE2-CG2 3.34Å; F328-V330 HydrophobicContact CZ-CG2 4.24Å; F328-E341 HydrophobicContact CD1-CB 4.02Å; F328-E341 HydrophobicContact CD2-CB 4.45Å; F328-E341 HydrophobicContact CE1-CB 3.47Å; F328-E341 VanDerWaalsContact CE1-CB 3.47Å; F328-E341 HydrophobicContact CE2-CB 3.98Å; F328-E341 HydrophobicContact CE2-CG 4.34Å; F328-E341 HydrophobicContact CG-CB 4.47Å; F328-E341 HydrophobicContact CZ-CB 3.45Å; F328-E341 VanDerWaalsContact CZ-CB 3.45Å; F328-E341 HydrophobicContact CZ-CG 4.11Å; F328-E341 PolarHBondContact N-O 3.31Å; F328-E341 PolarHBondContact O-N 2.9Å; F328-V343 HydrophobicContact CE1-CG1 4.23Å
329	M	98.4	Very high	94.4	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.7	-179.6	-65.1	-56.7	-58.7	0	0	111.6	L31 N32 W34 P35 K37 T40 P338 T339 E340	L31-M329 VanDerWaalsContact CA-O 3.29Å; L31-M329 WeakPolarHBondContact CA-O 3.2Å; N32-M329 PolarHBondContact N-O 2.74Å; N32-M329 VanDerWaalsContact N-O 3.12Å; N32-M329 PolarHBondContact O-N 3.13Å; N32-M329 WeakPolarHBondContact OD1-CB 3.4Å; W34-M329 WeakPolarHBondContact O-CG 3.06Å; P35-M329 HydrophobicContact CB-SD 4.35Å; K37-M329 HydrophobicContact CB-CE 4.05Å; K37-M329 HydrophobicContact CG-CE 4.01Å; T40-M329 HydrophobicContact CG2-CB 4.18Å; T40-M329 WeakPolarHBondContact OG1-CB 3.42Å; M329-P338 HydrophobicContact CE-CB 3.65Å; M329-T339 VanDerWaalsContact CE-C 3.46Å; M329-E340 HydrophobicContact CE-CB 4.49Å; M329-E340 HydrophobicContact SD-CB 3.78Å; M329-E340 HydrophobicContact SD-CG 4.28Å
330	V	98.3	Very high	94.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.6	176.1	-176.3	0	0	0	0	110.5	L29 V30 L31 Y313 F328 T339 E341	L29-V330 HydrophobicContact CD1-CG1 3.96Å; V30-V330 WeakPolarHBondContact O-CA 3.37Å; L31-V330 HydrophobicContact CD2-CB 4.01Å; L31-V330 HydrophobicContact CD2-CG1 3.76Å; L31-V330 HydrophobicContact CD2-CG2 3.57Å; Y313-V330 HydrophobicContact CD1-CG1 4.45Å; Y313-V330 HydrophobicContact CD2-CG2 4.25Å; Y313-V330 HydrophobicContact CE1-CG1 3.87Å; Y313-V330 HydrophobicContact CE2-CG1 4.26Å; Y313-V330 HydrophobicContact CE2-CG2 3.81Å; F328-V330 HydrophobicContact CD2-CG2 3.74Å; F328-V330 HydrophobicContact CE2-CG2 3.34Å; F328-V330 HydrophobicContact CZ-CG2 4.24Å; V330-T339 PolarHBondContact N-O 3.2Å; V330-T339 PolarHBondContact O-N 2.96Å; V330-E341 HydrophobicContact CB-CG 4.19Å; V330-E341 HydrophobicContact CG2-CB 4.27Å; V330-E341 HydrophobicContact CG2-CG 3.49Å; V330-E341 VanDerWaalsContact CG2-CG 3.49Å
331	Y	98.1	Very high	94.6	Very high	30 Å²	30	56.4 Å²	56.4	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.9	167.2	-157.3	171.7	0	0	0	110.2	V30 W44 K335 N336 P338	V30-Y331 PolarHBondContact N-O 2.7Å; V30-Y331 PolarHBondContact O-N 2.67Å; W44-Y331 HydrophobicContact CB-CD1 3.44Å; W44-Y331 VanDerWaalsContact CB-CD1 3.44Å; W44-Y331 HydrophobicContact CB-CE1 3.65Å; W44-Y331 HydrophobicContact CB-CG 4.32Å; W44-Y331 AromaticContact CD1-CD1 3.96Å; W44-Y331 AromaticContact CD1-CE1 3.34Å; W44-Y331 AromaticContact CD1-CZ 3.6Å; W44-Y331 AromaticContact CD2-CD1 3.6Å; W44-Y331 HydrophobicContact CD2-CD1 3.6Å; W44-Y331 AromaticContact CD2-CD2 3.95Å; W44-Y331 HydrophobicContact CD2-CD2 3.95Å; W44-Y331 AromaticContact CD2-CE1 3.71Å; W44-Y331 HydrophobicContact CD2-CE1 3.71Å; W44-Y331 HydrophobicContact CD2-CE2 4.02Å; W44-Y331 AromaticContact CD2-CG 3.73Å; W44-Y331 HydrophobicContact CD2-CG 3.73Å; W44-Y331 AromaticContact CD2-CZ 3.91Å; W44-Y331 AromaticContact CE2-CE2 3.8Å; W44-Y331 AromaticContact CE2-CZ 3.77Å; W44-Y331 AromaticContact CE3-CD1 3.96Å; W44-Y331 HydrophobicContact CE3-CD1 3.96Å; W44-Y331 AromaticContact CE3-CD2 3.97Å; W44-Y331 HydrophobicContact CE3-CD2 3.97Å; W44-Y331 HydrophobicContact CE3-CE1 4.48Å; W44-Y331 HydrophobicContact CE3-CE2 4.47Å; W44-Y331 AromaticContact CE3-CG 3.67Å; W44-Y331 HydrophobicContact CE3-CG 3.67Å; W44-Y331 AromaticContact CG-CD1 3.37Å; W44-Y331 HydrophobicContact CG-CD1 3.37Å; W44-Y331 AromaticContact CG-CE1 3.26Å; W44-Y331 HydrophobicContact CG-CE1 3.26Å; W44-Y331 HydrophobicContact CG-CE2 4.4Å; W44-Y331 HydrophobicContact CG-CG 4.03Å; W44-Y331 AromaticContact CG-CZ 3.82Å; W44-Y331 HydrophobicContact CH2-CD2 4.38Å; W44-Y331 HydrophobicContact CZ2-CD2 4.33Å; W44-Y331 HydrophobicContact CZ2-CE2 4.1Å; W44-Y331 HydrophobicContact CZ3-CD2 4.19Å; W44-Y331 HydrophobicContact CZ3-CG 4.28Å; W44-Y331 WeakPolarHBondContact CZ3-O 3Å; W44-Y331 AromaticContact NE1-CE1 3.8Å; W44-Y331 AromaticContact NE1-CZ 3.54Å; Y331-K335 HydrophobicContact CD2-CB 4.2Å; Y331-K335 HydrophobicContact CE2-CB 4.42Å; Y331-K335 WeakPolarHBondContact CE2-O 3.47Å; Y331-N336 PolarHBondContact OH-O 3.49Å; Y331-N336 VanDerWaalsContact OH-O 3.1Å; Y331-P338 HydrophobicContact CD1-CB 4.1Å; Y331-P338 HydrophobicContact CD1-CG 3.6Å; Y331-P338 HydrophobicContact CE1-CG 3.97Å; Y331-P338 HydrophobicContact CG-CB 4.32Å; Y331-P338 HydrophobicContact CG-CG 4.29Å
332	N	95.6	Very high	95	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	175.6	172	67	17.5	0	0	0	110.1	P26 P28 L29 E334 K335	P26-N332 HydrophobicContact CG-CB 4.35Å; P28-N332 WeakPolarHBondContact O-CA 3.38Å; L29-N332 HydrophobicContact CD1-CB 3.97Å; N332-E334 PolarHBondContact O-N 3.09Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.17Å; N332-K335 PolarHBondContact O-N 3.05Å; N332-K335 VanDerWaalsContact O-N 3.08Å; N332-K335 WeakPolarHBondContact OD1-CG 3.46Å; N332-K335 PolarHBondContact OD1-N 3.2Å
333	S	88.5	Confident	95.5	Very high	66 Å²	66	53.5 Å²	53.5	46%	0.462	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.1	-174.3	47.5	0	0	0	0	114.8	P26 L27	P26-S333 WeakPolarHBondContact CB-OG 3.45Å; L27-S333 PolarHBondContact O-OG 2.77Å
334	E	89.2	Confident	95.8	Very high	144 Å²	144	57.8 Å²	57.8	67%	0.673	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.2	169.7	-93.4	162.6	-158.3	0	0	112.7	P26 N332	P26-E334 WeakPolarHBondContact CD-OE1 3.5Å; P26-E334 HydrophobicContact CG-CB 3.96Å; P26-E334 HydrophobicContact CG-CG 3.64Å; P26-E334 WeakPolarHBondContact CG-OE1 3.32Å; N332-E334 PolarHBondContact O-N 3.09Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.17Å
335	K	87.3	Confident	95.9	Very high	39 Å²	39	54.8 Å²	54.8	17%	0.17	28%	0.278	C	S	.	.			trans	-97	142	-177.8	-68.4	172.8	167.8	-177.9	0	109.8	Y331 N332 T339 E341	Y331-K335 HydrophobicContact CD2-CB 4.2Å; Y331-K335 HydrophobicContact CE2-CB 4.42Å; Y331-K335 WeakPolarHBondContact CE2-O 3.47Å; N332-K335 PolarHBondContact O-N 3.05Å; N332-K335 VanDerWaalsContact O-N 3.08Å; N332-K335 WeakPolarHBondContact OD1-CG 3.46Å; N332-K335 PolarHBondContact OD1-N 3.2Å; K335-T339 WeakPolarHBondContact CD-OG1 3.46Å; K335-E341 IonicContact NZ-OE1 3.88Å; K335-E341 PolarHBondContact NZ-OE1 3.35Å
336	N	88.8	Confident	95.9	Very high	163 Å²	163	54.4 Å²	54.4	87%	0.872	28%	0.278	S	S	*	.	S	Bend	trans	-81	-19.6	174.4	-72.3	-34.8	0	0	0	112.8	Y331	Y331-N336 PolarHBondContact OH-O 3.49Å; Y331-N336 VanDerWaalsContact OH-O 3.1Å
337	Q	95.1	Very high	95.8	Very high	113 Å²	113	57.2 Å²	57.2	53%	0.528	29%	0.292	S	S	.	.	S	Bend	trans	-152.8	162.7	-178.1	65.4	176.6	17.6	0	0	109.5	T339	Q337-T339 PolarHBondContact O-N 2.84Å; Q337-T339 PolarHBondContact O-OG1 2.95Å
338	P	96.9	Very high	95.7	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.032	30%	0.3	C	S	.	.			trans	-59.7	139.7	172.9	-7.3	15.5	0	0	0	110.7	K37 T40 E41 M329 Y331	K37-P338 HydrophobicContact CG-CB 4.18Å; K37-P338 HydrophobicContact CG-CG 4.08Å; T40-P338 HydrophobicContact CG2-CB 3.98Å; E41-P338 HydrophobicContact CB-CG 4.37Å; E41-P338 HydrophobicContact CG-CG 3.29Å; M329-P338 HydrophobicContact CE-CB 3.65Å; Y331-P338 HydrophobicContact CD1-CB 4.1Å; Y331-P338 HydrophobicContact CD1-CG 3.6Å; Y331-P338 HydrophobicContact CE1-CG 3.97Å; Y331-P338 HydrophobicContact CG-CB 4.32Å; Y331-P338 HydrophobicContact CG-CG 4.29Å
339	T	97.6	Very high	95.5	Very high	50 Å²	50	62.2 Å²	62.2	31%	0.307	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	-177	-51.9	0	0	0	0	109.4	M329 V330 K335 Q337	M329-T339 VanDerWaalsContact CE-C 3.46Å; V330-T339 PolarHBondContact N-O 3.2Å; V330-T339 PolarHBondContact O-N 2.96Å; K335-T339 WeakPolarHBondContact CD-OG1 3.46Å; Q337-T339 PolarHBondContact O-N 2.84Å; Q337-T339 PolarHBondContact O-OG1 2.95Å
340	E	98	Very high	95.4	Very high	82 Å²	82	65.5 Å²	65.5	38%	0.383	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.4	172.5	-174.6	-176.1	162.3	0	0	109.3	P35 S327 M329 K342	P35-E340 HydrophobicContact CB-CG 4.25Å; S327-E340 WeakPolarHBondContact CB-OE1 3.09Å; S327-E340 PolarHBondContact OG-OE1 2.89Å; M329-E340 HydrophobicContact CE-CB 4.49Å; M329-E340 HydrophobicContact SD-CB 3.78Å; M329-E340 HydrophobicContact SD-CG 4.28Å; E340-K342 WeakPolarHBondContact OE1-CE 3.45Å; E340-K342 IonicContact OE1-NZ 3.12Å; E340-K342 PolarHBondContact OE1-NZ 3.2Å; E340-K342 VanDerWaalsContact OE1-NZ 3.12Å
341	E	98	Very high	95.2	Very high	60 Å²	60	69.6 Å²	69.6	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.4	172.3	-61.8	-68.2	170	0	0	109.1	Y313 S327 F328 V330 K335	Y313-E341 HydrophobicContact CE2-CG 4.45Å; S327-E341 VanDerWaalsContact CA-O 3.3Å; S327-E341 WeakPolarHBondContact CA-O 3.21Å; F328-E341 HydrophobicContact CD1-CB 4.02Å; F328-E341 HydrophobicContact CD2-CB 4.45Å; F328-E341 HydrophobicContact CE1-CB 3.47Å; F328-E341 VanDerWaalsContact CE1-CB 3.47Å; F328-E341 HydrophobicContact CE2-CB 3.98Å; F328-E341 HydrophobicContact CE2-CG 4.34Å; F328-E341 HydrophobicContact CG-CB 4.47Å; F328-E341 HydrophobicContact CZ-CB 3.45Å; F328-E341 VanDerWaalsContact CZ-CB 3.45Å; F328-E341 HydrophobicContact CZ-CG 4.11Å; F328-E341 PolarHBondContact N-O 3.31Å; F328-E341 PolarHBondContact O-N 2.9Å; V330-E341 HydrophobicContact CB-CG 4.19Å; V330-E341 HydrophobicContact CG2-CB 4.27Å; V330-E341 HydrophobicContact CG2-CG 3.49Å; V330-E341 VanDerWaalsContact CG2-CG 3.49Å; K335-E341 IonicContact NZ-OE1 3.88Å; K335-E341 PolarHBondContact NZ-OE1 3.35Å
342	K	98.3	Very high	95	Very high	117 Å²	117	72.3 Å²	72.3	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.9	-179.2	-60.9	-170.4	179	-169.3	0	111.4	F326 S327 E340	F326-K342 WeakPolarHBondContact O-CA 3.29Å; S327-K342 WeakPolarHBondContact OG-CE 3.35Å; E340-K342 WeakPolarHBondContact OE1-CE 3.45Å; E340-K342 IonicContact OE1-NZ 3.12Å; E340-K342 PolarHBondContact OE1-NZ 3.2Å; E340-K342 VanDerWaalsContact OE1-NZ 3.12Å
343	V	98.3	Very high	95	Very high	33 Å²	33	77.1 Å²	77.1	20%	0.2	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141	170.8	-64.8	0	0	0	0	110	A315 Q325 F326 F328	A315-V343 HydrophobicContact CB-CG1 4.21Å; A315-V343 HydrophobicContact CB-CG2 3.97Å; Q325-V343 VanDerWaalsContact CA-O 3.3Å; Q325-V343 WeakPolarHBondContact CA-O 3.24Å; F326-V343 HydrophobicContact CB-CG2 4.1Å; F326-V343 HydrophobicContact CD1-CG2 4.19Å; F326-V343 PolarHBondContact N-O 3.42Å; F326-V343 PolarHBondContact O-N 3.12Å; F328-V343 HydrophobicContact CE1-CG1 4.23Å
344	D	98.4	Very high	95.5	Very high	113 Å²	113	78 Å²	78	60%	0.604	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.1	168.3	-66.8	-37.7	0	0	0	109.2	Q325	Q325-D344 WeakPolarHBondContact CG-OD1 3.31Å; Q325-D344 PolarHBondContact NE2-OD1 2.64Å
345	C	98.1	Very high	96	Very high	9 Å²	9	72.5 Å²	72.5	6%	0.061	37%	0.366	C	S	.	.			trans	-71.2	145.2	176.7	-58.2	0	0	0	0	111.1	C317 K319 T324	C317-C345 HydrophobicContact CB-CB 4Å; C317-C345 WeakPolarHBondContact CB-SG 3.47Å; C317-C345 WeakPolarHBondContact O-CA 3.34Å; C317-C345 WeakPolarHBondContact O-CB 2.89Å; C317-C345 WeakPolarHBondContact SG-CA 3.45Å; C317-C345 WeakPolarHBondContact SG-CB 3.41Å; C317-C345 CovalentContact SG-SG 2.03Å; C317-C345 PolarHBondContact SG-SG 3.06Å; K319-C345 VanDerWaalsContact CA-CB 3.47Å; K319-C345 HydrophobicContact CB-CB 3.73Å; K319-C345 HydrophobicContact CG-CB 4.3Å; T324-C345 VanDerWaalsContact C-SG 3.54Å; T324-C345 PolarHBondContact O-N 3.05Å
346	I	96.9	Very high	96.8	Very high	86 Å²	86	75.5 Å²	75.5	44%	0.441	38%	0.383	S	S	.	.			trans	-99.7	0	-174	61.6	165.5	0	0	0	112.9	Q287 I290 Q294 C317 K319	Q287-I346 HydrophobicContact CB-CD1 3.94Å; Q287-I346 HydrophobicContact CG-CD1 4.06Å; I290-I346 HydrophobicContact CB-CD1 4.21Å; I290-I346 HydrophobicContact CB-CG1 4.46Å; I290-I346 HydrophobicContact CG2-CD1 4.07Å; I290-I346 HydrophobicContact CG2-CG1 3.87Å; Q294-I346 PolarHBondContact NE2-O 3.08Å; C317-I346 PolarHBondContact O-N 3.07Å; K319-I346 WeakPolarHBondContact CB-O 3.46Å; K319-I346 PolarHBondContact N-O 3.16Å

Retrieved 346 of 346 residues in 1588.2 ms (Link to these results)

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