A0A061HZJ5_CRIGR Loading...

C-type lectin domain family 4 member E

AlphaFold DB , UniProt , Accession A0A061HZJ5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Clec4e, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.8	Very low	31.7	Very low	226 Å²	226	139.1 Å²	139.1	100%	1.113	77%	0.765	S	S	*	*				0	125.4	0	-88.2	157	83	0	0	108.4
2	H	30.2	Very low	32.4	Very low	173 Å²	173	138.7 Å²	138.7	80%	0.801	77%	0.769	S	S	*	*			trans	58.2	138.1	151.2	-72.1	-59.5	0	0	0	119.9
3	S	31.6	Very low	32.3	Very low	86 Å²	86	134.2 Å²	134.2	60%	0.601	77%	0.774	S	S	*	*			cis	-171.4	130.9	-8.7	-150	0	0	0	0	107.2
4	S	36.4	Very low	32.9	Very low	90 Å²	90	143 Å²	143	63%	0.629	79%	0.788	S	S	*	*				56	122.8	124	-51.8	0	0	0	0	123
5	K	36.4	Very low	33.4	Very low	203 Å²	203	138.6 Å²	138.6	88%	0.883	79%	0.788	S	S	*	*				70.4	146.4	127.6	-63.3	176	-179.2	-179.3	0	116.6
6	S	30.1	Very low	34.3	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	79%	0.791	S	S	*	*			cis	-156.1	163.3	29.7	61.5	0	0	0	0	113.3
7	S	32.1	Very low	35.1	Very low	101 Å²	101	142 Å²	142	71%	0.706	80%	0.799	S	S	*	*			trans	-51.4	152.8	162.4	51.1	0	0	0	0	115.6
8	V	30.1	Very low	35.8	Very low	136 Å²	136	144.7 Å²	144.7	82%	0.824	80%	0.801	S	S	*	*				171.4	157.4	114.4	159.4	0	0	0	0	110.5
9	S	28.7	Very low	36.7	Very low	88 Å²	88	144.3 Å²	144.3	62%	0.615	80%	0.797	S	S	*	*			trans	-77.9	161.9	-157.5	54.8	0	0	0	0	120.6
10	H	29.7	Very low	37.4	Very low	159 Å²	159	146.5 Å²	146.5	74%	0.736	80%	0.798	S	S	*	*			trans	57.7	113.1	139.2	-81.8	-71.1	0	0	0	120.6
11	H	27.5	Very low	38.1	Very low	158 Å²	158	146.6 Å²	146.6	73%	0.731	79%	0.794	S	S	*	*				170.3	124.1	97.9	-102	-69.9	0	0	0	113.2
12	T	40.6	Very low	39	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	77%	0.768	S	S	*	*			trans	28.5	124.2	139.5	49.7	0	0	0	0	121.3
13	G	30.2	Very low	40.1	Very low	80 Å²	80	137.6 Å²	137.6	83%	0.825	76%	0.758	S	S	*	*			trans	179.1	108.9	157.7	0	0	0	0	0	114.9
14	R	40.9	Very low	41.4	Very low	258 Å²	258	137 Å²	137	97%	0.974	76%	0.755	S	S	*	*			trans	-35.6	143.1	178.7	-77	168.3	178.2	-175.4	-1.6	118.4
15	G	41.3	Very low	42.6	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	76%	0.759	S	S	*	*				126.2	101.6	120.5	0	0	0	0	0	117.2
16	C	46.6	Very low	44.3	Very low	122 Å²	122	135.7 Å²	135.7	82%	0.824	74%	0.739	S	S	*	*			trans	-165.5	78.2	146.1	-152.7	0	0	0	0	111.5
17	F	49.1	Very low	46.5	Very low	213 Å²	213	134.4 Å²	134.4	93%	0.934	73%	0.726	S	S	*	*			trans	-147.5	63	165.7	-94.1	-77.8	0	0	0	109.3
18	K	47.9	Very low	48.7	Very low	191 Å²	191	131.5 Å²	131.5	83%	0.83	71%	0.708	S	S	*	*	S	Bend	trans	-149.6	71.5	168.9	-69.8	-167	179.7	-175	0	109.1
19	N	52.2	Low	51.1	Low	137 Å²	137	126.4 Å²	126.4	73%	0.733	68%	0.683	S	S	*	*	S	Bend	trans	-162.1	-11.6	163.7	-102.2	-15.4	0	0	0	115.4
20	F	50.5	Low	53.6	Low	187 Å²	187	125.7 Å²	125.7	82%	0.82	68%	0.675	S	S	*	*	H	α-helix	trans	-83.1	-31.2	178.9	-156.5	-102.4	0	0	0	113.8
21	Q	52.9	Low	56.2	Low	150 Å²	150	121.2 Å²	121.2	70%	0.701	66%	0.66	S	S	*	*	H	α-helix	trans	-74.5	-40.7	179	-112.8	170.3	-13.4	0	0	112.6	L23 S24 W25	Q21-L23 PolarHBondContact O-N 2.78Å; Q21-S24 PolarHBondContact O-N 3.25Å; Q21-W25 PolarHBondContact O-N 2.91Å
22	V	54.3	Low	58.9	Low	94 Å²	94	119 Å²	119	57%	0.57	65%	0.653	S	S	*	*	H	α-helix	trans	-67.2	-38.9	-175.5	-178.1	0	0	0	0	111.8	S24 W25 T26	V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 3.49Å; V22-W25 PolarHBondContact O-N 2.79Å; V22-T26 HydrophobicContact CG1-CG2 4.49Å; V22-T26 WeakPolarHBondContact O-CG2 3.28Å; V22-T26 PolarHBondContact O-N 3.23Å; V22-T26 VanDerWaalsContact O-N 3.08Å; V22-T26 PolarHBondContact O-OG1 3.16Å
23	L	53.8	Low	61.1	Low	115 Å²	115	118.2 Å²	118.2	60%	0.602	64%	0.643	S	S	*	*	H	α-helix	trans	-66.5	-31.3	177.4	-169.8	66.8	0	0	0	112.7	Q21 T26 V27	Q21-L23 PolarHBondContact O-N 2.78Å; L23-T26 WeakPolarHBondContact CA-OG1 3.42Å; L23-T26 PolarHBondContact O-OG1 3.13Å; L23-T26 VanDerWaalsContact O-OG1 3.05Å; L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.01Å; L23-V27 PolarHBondContact O-N 3.27Å
24	S	58.5	Low	63.8	Low	75 Å²	75	121.1 Å²	121.1	52%	0.524	63%	0.633	S	S	.	*	H	α-helix	trans	-73.7	-39.9	177.6	-177.3	0	0	0	0	112	Q21 V22 A28	Q21-S24 PolarHBondContact O-N 3.25Å; V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 3.49Å; S24-A28 VanDerWaalsContact O-CB 3.29Å; S24-A28 WeakPolarHBondContact O-CB 3.23Å; S24-A28 PolarHBondContact O-N 2.91Å
25	W	61.3	Low	66.1	Low	190 Å²	190	114.7 Å²	114.7	72%	0.72	62%	0.618	S	S	*	*	H	α-helix	trans	-71.4	-34.1	176.8	-68.9	112.6	0	0	0	113.1	Q21 V22 G29	Q21-W25 PolarHBondContact O-N 2.91Å; V22-W25 PolarHBondContact O-N 2.79Å; W25-G29 PolarHBondContact O-N 3.11Å
26	T	72.4	Confident	68.3	Low	75 Å²	75	113.2 Å²	113.2	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-69.8	-42.5	175	54.5	0	0	0	0	111.6	V22 L23 G29 V30	V22-T26 HydrophobicContact CG1-CG2 4.49Å; V22-T26 WeakPolarHBondContact O-CG2 3.28Å; V22-T26 PolarHBondContact O-N 3.23Å; V22-T26 VanDerWaalsContact O-N 3.08Å; V22-T26 PolarHBondContact O-OG1 3.16Å; L23-T26 WeakPolarHBondContact CA-OG1 3.42Å; L23-T26 PolarHBondContact O-OG1 3.13Å; L23-T26 VanDerWaalsContact O-OG1 3.05Å; T26-G29 PolarHBondContact O-N 2.7Å; T26-V30 WeakPolarHBondContact O-CB 3.49Å; T26-V30 VanDerWaalsContact O-CG2 3.26Å; T26-V30 WeakPolarHBondContact O-CG2 3.2Å; T26-V30 PolarHBondContact O-N 3.34Å
27	V	76.3	Confident	70.4	Confident	83 Å²	83	109.6 Å²	109.6	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-63	-46.1	174.5	171.8	0	0	0	0	110.8	L23 G29 V30 C31	L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.01Å; L23-V27 PolarHBondContact O-N 3.27Å; V27-G29 PolarHBondContact O-N 3.4Å; V27-V30 PolarHBondContact O-N 3.05Å; V27-C31 WeakPolarHBondContact O-CB 3.37Å; V27-C31 PolarHBondContact O-N 2.71Å; V27-C31 PolarHBondContact O-SG 3.25Å
28	A	78.3	Confident	72.2	Confident	39 Å²	39	103 Å²	103	32%	0.322	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-42.7	175.6	0	0	0	0	0	112.2	S24 C31 I32	S24-A28 VanDerWaalsContact O-CB 3.29Å; S24-A28 WeakPolarHBondContact O-CB 3.23Å; S24-A28 PolarHBondContact O-N 2.91Å; A28-C31 PolarHBondContact O-N 3.27Å; A28-I32 WeakPolarHBondContact O-CB 3.38Å; A28-I32 WeakPolarHBondContact O-CD1 3.12Å; A28-I32 WeakPolarHBondContact O-CG1 3.31Å; A28-I32 PolarHBondContact O-N 2.76Å
29	G	79.9	Confident	74.2	Confident	29 Å²	29	100.7 Å²	100.7	30%	0.299	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.3	0	0	0	0	0	112.9	W25 T26 V27 I32 L33	W25-G29 PolarHBondContact O-N 3.11Å; T26-G29 PolarHBondContact O-N 2.7Å; V27-G29 PolarHBondContact O-N 3.4Å; G29-I32 PolarHBondContact O-N 3.19Å; G29-L33 VanDerWaalsContact O-CG 3.29Å; G29-L33 WeakPolarHBondContact O-CG 3.41Å; G29-L33 PolarHBondContact O-N 2.87Å
30	V	82.4	Confident	76	Confident	73 Å²	73	99 Å²	99	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-43.3	175.1	170.6	0	0	0	0	110.9	T26 V27 L33 F34	T26-V30 WeakPolarHBondContact O-CB 3.49Å; T26-V30 VanDerWaalsContact O-CG2 3.26Å; T26-V30 WeakPolarHBondContact O-CG2 3.2Å; T26-V30 PolarHBondContact O-N 3.34Å; V27-V30 PolarHBondContact O-N 3.05Å; V30-L33 PolarHBondContact O-N 3.15Å; V30-F34 HydrophobicContact CG1-CD2 3.63Å; V30-F34 HydrophobicContact CG1-CE2 3.5Å; V30-F34 VanDerWaalsContact CG1-CE2 3.5Å; V30-F34 WeakPolarHBondContact O-CD2 3.35Å; V30-F34 PolarHBondContact O-N 2.75Å
31	C	82.6	Confident	77.8	Confident	65 Å²	65	94 Å²	94	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-42.8	175.3	-70.4	0	0	0	0	112.5	V27 A28 L33 F34 L35	V27-C31 WeakPolarHBondContact O-CB 3.37Å; V27-C31 PolarHBondContact O-N 2.71Å; V27-C31 PolarHBondContact O-SG 3.25Å; A28-C31 PolarHBondContact O-N 3.27Å; C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 2.93Å; C31-F34 PolarHBondContact O-N 3.09Å; C31-L35 WeakPolarHBondContact O-CB 3.06Å; C31-L35 VanDerWaalsContact O-CG 3.26Å; C31-L35 WeakPolarHBondContact O-CG 3.22Å; C31-L35 PolarHBondContact O-N 2.81Å
32	I	85.6	Confident	79.5	Confident	113 Å²	113	96 Å²	96	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-42.7	176.6	-70	163.2	0	0	0	110.5	A28 G29 L35 S36	A28-I32 WeakPolarHBondContact O-CB 3.38Å; A28-I32 WeakPolarHBondContact O-CD1 3.12Å; A28-I32 WeakPolarHBondContact O-CG1 3.31Å; A28-I32 PolarHBondContact O-N 2.76Å; G29-I32 PolarHBondContact O-N 3.19Å; I32-L35 PolarHBondContact O-N 3.33Å; I32-S36 VanDerWaalsContact O-CB 3.3Å; I32-S36 WeakPolarHBondContact O-CB 3.03Å; I32-S36 PolarHBondContact O-N 2.03Å; I32-S36 PolarHBondContact O-OG 3.08Å
33	L	86.5	Confident	81.2	Confident	117 Å²	117	94.2 Å²	94.2	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-45.7	176.1	-71.6	171.7	0	0	0	111.6	G29 V30 C31 S36 A37	G29-L33 VanDerWaalsContact O-CG 3.29Å; G29-L33 WeakPolarHBondContact O-CG 3.41Å; G29-L33 PolarHBondContact O-N 2.87Å; V30-L33 PolarHBondContact O-N 3.15Å; C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 2.93Å; L33-S36 PolarHBondContact O-N 3.27Å; L33-S36 PolarHBondContact O-OG 3.45Å; L33-A37 WeakPolarHBondContact O-CB 2.98Å; L33-A37 PolarHBondContact O-N 3.35Å
34	F	86.5	Confident	83.1	Confident	140 Å²	140	91.8 Å²	91.8	61%	0.614	50%	0.501	S	S	*	.	H	α-helix	trans	-62.9	-45.6	175.9	-83.9	-66.2	0	0	0	112.9	V30 C31 S36 A37 C38	V30-F34 HydrophobicContact CG1-CD2 3.63Å; V30-F34 HydrophobicContact CG1-CE2 3.5Å; V30-F34 VanDerWaalsContact CG1-CE2 3.5Å; V30-F34 WeakPolarHBondContact O-CD2 3.35Å; V30-F34 PolarHBondContact O-N 2.75Å; C31-F34 PolarHBondContact O-N 3.09Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 2.75Å; F34-A37 PolarHBondContact O-N 2.86Å; F34-C38 PolarHBondContact O-N 2.02Å; F34-C38 PolarHBondContact O-SG 2.97Å; F34-C38 VanDerWaalsContact O-SG 3.34Å
35	L	88.3	Confident	84.6	Confident	123 Å²	123	92 Å²	92	64%	0.644	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-41	178.4	-70.4	173.7	0	0	0	111.7	C31 I32 C38 F39	C31-L35 WeakPolarHBondContact O-CB 3.06Å; C31-L35 VanDerWaalsContact O-CG 3.26Å; C31-L35 WeakPolarHBondContact O-CG 3.22Å; C31-L35 PolarHBondContact O-N 2.81Å; I32-L35 PolarHBondContact O-N 3.33Å; L35-C38 PolarHBondContact O-N 2.87Å; L35-F39 WeakPolarHBondContact O-CB 3.48Å; L35-F39 PolarHBondContact O-N 3.26Å
36	S	88.9	Confident	85.9	Confident	47 Å²	47	87.6 Å²	87.6	33%	0.329	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-42.5	175	74.1	0	0	0	0	111.8	I32 L33 F34 C38 F39 I40	I32-S36 VanDerWaalsContact O-CB 3.3Å; I32-S36 WeakPolarHBondContact O-CB 3.03Å; I32-S36 PolarHBondContact O-N 2.03Å; I32-S36 PolarHBondContact O-OG 3.08Å; L33-S36 PolarHBondContact O-N 3.27Å; L33-S36 PolarHBondContact O-OG 3.45Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 2.75Å; S36-C38 PolarHBondContact O-N 3.15Å; S36-F39 PolarHBondContact O-N 3.32Å; S36-I40 WeakPolarHBondContact O-CB 3.43Å; S36-I40 WeakPolarHBondContact O-CD1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.27Å
37	A	89.8	Confident	86.7	Confident	46 Å²	46	91 Å²	91	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-40.1	175.8	0	0	0	0	0	111.7	L33 F34 T41	L33-A37 WeakPolarHBondContact O-CB 2.98Å; L33-A37 PolarHBondContact O-N 3.35Å; F34-A37 PolarHBondContact O-N 2.86Å; A37-T41 VanDerWaalsContact O-CB 3.31Å; A37-T41 WeakPolarHBondContact O-CB 3.48Å; A37-T41 PolarHBondContact O-N 3.26Å; A37-T41 PolarHBondContact O-OG1 2.68Å
38	C	87.1	Confident	87.4	Confident	73 Å²	73	95.1 Å²	95.1	49%	0.493	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-42.4	174.7	-72.2	0	0	0	0	112.3	F34 L35 S36 T41 R42	F34-C38 PolarHBondContact O-N 2.02Å; F34-C38 PolarHBondContact O-SG 2.97Å; F34-C38 VanDerWaalsContact O-SG 3.34Å; L35-C38 PolarHBondContact O-N 2.87Å; S36-C38 PolarHBondContact O-N 3.15Å; C38-T41 PolarHBondContact O-N 3.46Å; C38-R42 WeakPolarHBondContact O-CB 3.44Å; C38-R42 WeakPolarHBondContact O-CG 3.37Å; C38-R42 PolarHBondContact O-N 3.01Å
39	F	89.4	Confident	87.6	Confident	143 Å²	143	96.5 Å²	96.5	63%	0.627	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-48.8	176.7	-177	-100.1	0	0	0	111.1	L35 S36 T41 R42 C43	L35-F39 WeakPolarHBondContact O-CB 3.48Å; L35-F39 PolarHBondContact O-N 3.26Å; S36-F39 PolarHBondContact O-N 3.32Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.08Å; F39-R42 PolarHBondContact O-N 2.82Å; F39-C43 VanDerWaalsContact CE1-SG 3.51Å; F39-C43 VanDerWaalsContact CZ-SG 3.56Å; F39-C43 WeakPolarHBondContact O-CB 3.34Å; F39-C43 PolarHBondContact O-N 3.25Å; F39-C43 PolarHBondContact O-SG 3.12Å
40	I	90.9	Very high	87.7	Confident	101 Å²	101	98.3 Å²	98.3	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-57.7	-45.9	175.3	-67.8	163.8	0	0	0	110.3	S36 R42 C43 V44	S36-I40 WeakPolarHBondContact O-CB 3.43Å; S36-I40 WeakPolarHBondContact O-CD1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.27Å; I40-R42 PolarHBondContact O-N 3.3Å; I40-C43 PolarHBondContact O-N 3.44Å; I40-V44 HydrophobicContact CG2-CG2 4.19Å; I40-V44 WeakPolarHBondContact O-CB 3.46Å; I40-V44 WeakPolarHBondContact O-CG2 3.44Å; I40-V44 PolarHBondContact O-N 2.95Å
41	T	88.7	Confident	87.9	Confident	84 Å²	84	99.3 Å²	99.3	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-45.7	178.5	-55.3	0	0	0	0	111.3	A37 C38 F39 V44 V45	A37-T41 VanDerWaalsContact O-CB 3.31Å; A37-T41 WeakPolarHBondContact O-CB 3.48Å; A37-T41 PolarHBondContact O-N 3.26Å; A37-T41 PolarHBondContact O-OG1 2.68Å; C38-T41 PolarHBondContact O-N 3.46Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.08Å; T41-V44 PolarHBondContact O-N 2.88Å; T41-V45 HydrophobicContact CG2-CG2 4.42Å; T41-V45 WeakPolarHBondContact O-CB 3.38Å; T41-V45 VanDerWaalsContact O-CG2 3.23Å; T41-V45 WeakPolarHBondContact O-CG2 3.4Å; T41-V45 PolarHBondContact O-N 3.18Å
42	R	89.2	Confident	87.9	Confident	192 Å²	192	100.8 Å²	100.8	73%	0.725	52%	0.521	S	S	*	.	H	α-helix	trans	-61.6	-47.3	175.9	-78.3	-172.6	173.7	-134.6	0.3	111.7	C38 F39 I40 V44 V45 T46	C38-R42 WeakPolarHBondContact O-CB 3.44Å; C38-R42 WeakPolarHBondContact O-CG 3.37Å; C38-R42 PolarHBondContact O-N 3.01Å; F39-R42 PolarHBondContact O-N 2.82Å; I40-R42 PolarHBondContact O-N 3.3Å; R42-V44 VanDerWaalsContact C-N 3.33Å; R42-V44 PolarHBondContact O-N 3.15Å; R42-V45 PolarHBondContact O-N 2.89Å; R42-T46 WeakPolarHBondContact O-CB 3.22Å; R42-T46 PolarHBondContact O-N 3.38Å; R42-T46 PolarHBondContact O-OG1 2.83Å
43	C	89.8	Confident	87.7	Confident	56 Å²	56	102.6 Å²	102.6	38%	0.378	52%	0.522	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.9	-71.4	0	0	0	0	111.9	F39 I40 Y47	F39-C43 VanDerWaalsContact CE1-SG 3.51Å; F39-C43 VanDerWaalsContact CZ-SG 3.56Å; F39-C43 WeakPolarHBondContact O-CB 3.34Å; F39-C43 PolarHBondContact O-N 3.25Å; F39-C43 PolarHBondContact O-SG 3.12Å; I40-C43 PolarHBondContact O-N 3.44Å; C43-Y47 WeakPolarHBondContact O-CB 3.31Å; C43-Y47 PolarHBondContact O-N 3.06Å
44	V	92.1	Very high	87.4	Confident	64 Å²	64	101.3 Å²	101.3	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-42.4	177.2	170.7	0	0	0	0	111.1	I40 T41 R42 R48	I40-V44 HydrophobicContact CG2-CG2 4.19Å; I40-V44 WeakPolarHBondContact O-CB 3.46Å; I40-V44 WeakPolarHBondContact O-CG2 3.44Å; I40-V44 PolarHBondContact O-N 2.95Å; T41-V44 PolarHBondContact O-N 2.88Å; R42-V44 VanDerWaalsContact C-N 3.33Å; R42-V44 PolarHBondContact O-N 3.15Å; V44-R48 HydrophobicContact CG1-CG 4.44Å; V44-R48 WeakPolarHBondContact O-CB 3.18Å; V44-R48 VanDerWaalsContact O-CG 3.26Å; V44-R48 WeakPolarHBondContact O-CG 3.47Å; V44-R48 PolarHBondContact O-N 3.04Å
45	V	90.8	Very high	87	Confident	80 Å²	80	100.8 Å²	100.8	49%	0.485	51%	0.512	S	S	.	.	H	α-helix	trans	-62.5	-51.6	176.1	169.9	0	0	0	0	110.2	T41 R42 Y47 R48 S49	T41-V45 HydrophobicContact CG2-CG2 4.42Å; T41-V45 WeakPolarHBondContact O-CB 3.38Å; T41-V45 VanDerWaalsContact O-CG2 3.23Å; T41-V45 WeakPolarHBondContact O-CG2 3.4Å; T41-V45 PolarHBondContact O-N 3.18Å; R42-V45 PolarHBondContact O-N 2.89Å; V45-Y47 VanDerWaalsContact C-N 3.34Å; V45-Y47 PolarHBondContact O-N 3.12Å; V45-R48 PolarHBondContact O-N 3.38Å; V45-S49 WeakPolarHBondContact O-CB 3.34Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.93Å; V45-S49 VanDerWaalsContact O-OG 3.06Å
46	T	88.7	Confident	86.3	Confident	96 Å²	96	101.8 Å²	101.8	59%	0.589	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-41.8	179.2	-56.5	0	0	0	0	111.8	R42 S49 C50	R42-T46 WeakPolarHBondContact O-CB 3.22Å; R42-T46 PolarHBondContact O-N 3.38Å; R42-T46 PolarHBondContact O-OG1 2.83Å; T46-S49 PolarHBondContact O-N 2.96Å; T46-C50 WeakPolarHBondContact O-CB 2.97Å; T46-C50 PolarHBondContact O-N 3.06Å
47	Y	89.1	Confident	85.4	Confident	148 Å²	148	104.6 Å²	104.6	58%	0.58	52%	0.518	S	S	*	.	H	α-helix	trans	-61.5	-47.4	174.9	179.2	-100.3	0	0	0	111.5	C43 V45 S49 C50 Q51	C43-Y47 WeakPolarHBondContact O-CB 3.31Å; C43-Y47 PolarHBondContact O-N 3.06Å; V45-Y47 VanDerWaalsContact C-N 3.34Å; V45-Y47 PolarHBondContact O-N 3.12Å; Y47-S49 PolarHBondContact O-N 2.86Å; Y47-C50 WeakPolarHBondContact O-CB 3.4Å; Y47-C50 PolarHBondContact O-N 2.83Å; Y47-Q51 HydrophobicContact CD1-CG 4.12Å; Y47-Q51 HydrophobicContact CE1-CG 3.73Å; Y47-Q51 HydrophobicContact CE2-CG 4.31Å; Y47-Q51 VanDerWaalsContact O-CG 3.3Å; Y47-Q51 WeakPolarHBondContact O-CG 3.29Å; Y47-Q51 PolarHBondContact O-N 2.85Å
48	R	90.1	Very high	84.1	Confident	169 Å²	169	108 Å²	108	64%	0.638	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.3	-75.7	-179.4	178.3	-137.6	0.6	112.1	V44 V45 C50 Q51 I52	V44-R48 HydrophobicContact CG1-CG 4.44Å; V44-R48 WeakPolarHBondContact O-CB 3.18Å; V44-R48 VanDerWaalsContact O-CG 3.26Å; V44-R48 WeakPolarHBondContact O-CG 3.47Å; V44-R48 PolarHBondContact O-N 3.04Å; V45-R48 PolarHBondContact O-N 3.38Å; R48-C50 VanDerWaalsContact C-N 3.31Å; R48-C50 PolarHBondContact O-N 2.89Å; R48-Q51 PolarHBondContact O-N 3.31Å; R48-I52 WeakPolarHBondContact O-CB 3.31Å; R48-I52 WeakPolarHBondContact O-CD1 3.47Å; R48-I52 WeakPolarHBondContact O-CG1 3.47Å; R48-I52 PolarHBondContact O-N 2.66Å
49	S	82.6	Confident	82.9	Confident	68 Å²	68	109.3 Å²	109.3	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-40.2	174.8	-65.4	0	0	0	0	111.7	V45 T46 Y47 I52 Y53	V45-S49 WeakPolarHBondContact O-CB 3.34Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.93Å; V45-S49 VanDerWaalsContact O-OG 3.06Å; T46-S49 PolarHBondContact O-N 2.96Å; Y47-S49 PolarHBondContact O-N 2.86Å; S49-I52 PolarHBondContact O-N 3.08Å; S49-Y53 WeakPolarHBondContact O-CB 3.37Å; S49-Y53 PolarHBondContact O-N 2.98Å
50	C	82.9	Confident	81.1	Confident	66 Å²	66	105.7 Å²	105.7	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-43.6	174.9	-168.6	0	0	0	0	111.8	T46 Y47 R48 I52 Y53 E54	T46-C50 WeakPolarHBondContact O-CB 2.97Å; T46-C50 PolarHBondContact O-N 3.06Å; Y47-C50 WeakPolarHBondContact O-CB 3.4Å; Y47-C50 PolarHBondContact O-N 2.83Å; R48-C50 VanDerWaalsContact C-N 3.31Å; R48-C50 PolarHBondContact O-N 2.89Å; C50-I52 VanDerWaalsContact C-N 3.34Å; C50-I52 PolarHBondContact O-N 2.82Å; C50-Y53 WeakPolarHBondContact O-CB 3.27Å; C50-Y53 PolarHBondContact O-N 3.41Å; C50-E54 PolarHBondContact O-N 3.37Å
51	Q	87	Confident	79.3	Confident	95 Å²	95	107.3 Å²	107.3	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-60.4	-42.3	174.1	-70.4	-70.9	-62.1	0	0	112	Y47 R48 E54 Q55	Y47-Q51 HydrophobicContact CD1-CG 4.12Å; Y47-Q51 HydrophobicContact CE1-CG 3.73Å; Y47-Q51 HydrophobicContact CE2-CG 4.31Å; Y47-Q51 VanDerWaalsContact O-CG 3.3Å; Y47-Q51 WeakPolarHBondContact O-CG 3.29Å; Y47-Q51 PolarHBondContact O-N 2.85Å; R48-Q51 PolarHBondContact O-N 3.31Å; Q51-E54 PolarHBondContact O-N 3.39Å; Q51-Q55 VanDerWaalsContact O-CB 3.3Å; Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 PolarHBondContact O-N 3.47Å
52	I	82.6	Confident	77.5	Confident	95 Å²	95	110.3 Å²	110.3	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-38.4	175.4	-68.8	163.8	0	0	0	111.1	R48 S49 C50 K56	R48-I52 WeakPolarHBondContact O-CB 3.31Å; R48-I52 WeakPolarHBondContact O-CD1 3.47Å; R48-I52 WeakPolarHBondContact O-CG1 3.47Å; R48-I52 PolarHBondContact O-N 2.66Å; S49-I52 PolarHBondContact O-N 3.08Å; C50-I52 VanDerWaalsContact C-N 3.34Å; C50-I52 PolarHBondContact O-N 2.82Å; I52-K56 HydrophobicContact CG2-CD 4.29Å; I52-K56 WeakPolarHBondContact O-CB 3.32Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 2.87Å
53	Y	81.6	Confident	75.6	Confident	152 Å²	152	105.6 Å²	105.6	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-48.4	175.9	177	-95	0	0	0	111.7	S49 C50 Q55 K56 K57	S49-Y53 WeakPolarHBondContact O-CB 3.37Å; S49-Y53 PolarHBondContact O-N 2.98Å; C50-Y53 WeakPolarHBondContact O-CB 3.27Å; C50-Y53 PolarHBondContact O-N 3.41Å; Y53-Q55 VanDerWaalsContact C-N 3.34Å; Y53-Q55 PolarHBondContact O-N 3.34Å; Y53-K56 PolarHBondContact O-N 2.92Å; Y53-K57 HydrophobicContact CE1-CD 4.28Å; Y53-K57 VanDerWaalsContact O-CB 3.31Å; Y53-K57 WeakPolarHBondContact O-CB 3.27Å; Y53-K57 PolarHBondContact O-N 2.74Å
54	E	79.9	Confident	73.9	Confident	89 Å²	89	107.1 Å²	107.1	42%	0.416	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-38	176.3	-73.3	-62.1	149.7	0	0	111.8	C50 Q51 K57 L58	C50-E54 PolarHBondContact O-N 3.37Å; Q51-E54 PolarHBondContact O-N 3.39Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 IonicContact OE2-NZ 3.21Å; E54-L58 WeakPolarHBondContact O-CB 3.48Å; E54-L58 PolarHBondContact O-N 3.49Å
55	Q	77.4	Confident	72.3	Confident	130 Å²	130	112.6 Å²	112.6	61%	0.607	56%	0.559	S	S	*	*	H	α-helix	trans	-66.3	-40	174.8	-171.9	158.1	9.1	0	0	112.2	Q51 Y53 L58 L59	Q51-Q55 VanDerWaalsContact O-CB 3.3Å; Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 PolarHBondContact O-N 3.47Å; Y53-Q55 VanDerWaalsContact C-N 3.34Å; Y53-Q55 PolarHBondContact O-N 3.34Å; Q55-L58 PolarHBondContact O-N 2.96Å; Q55-L59 HydrophobicContact CG-CD1 4.19Å; Q55-L59 WeakPolarHBondContact O-CB 3.4Å; Q55-L59 WeakPolarHBondContact O-CD1 3.46Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.36Å
56	K	72.9	Confident	71.6	Confident	144 Å²	144	115.5 Å²	115.5	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-65.1	-39.5	173	-77.5	-179.5	176.9	-171.2	0	112.2	I52 Y53 L59 S60	I52-K56 HydrophobicContact CG2-CD 4.29Å; I52-K56 WeakPolarHBondContact O-CB 3.32Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.49Å; I52-K56 PolarHBondContact O-N 2.87Å; Y53-K56 PolarHBondContact O-N 2.92Å; K56-L59 PolarHBondContact O-N 3.39Å; K56-S60 PolarHBondContact O-N 2.83Å; K56-S60 PolarHBondContact O-OG 3.08Å
57	K	70.8	Confident	71.6	Confident	106 Å²	106	114.3 Å²	114.3	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-39.5	177.1	-175.9	-178.2	171.6	-164.8	0	111.9	Y53 E54 S60 H61	Y53-K57 HydrophobicContact CE1-CD 4.28Å; Y53-K57 VanDerWaalsContact O-CB 3.31Å; Y53-K57 WeakPolarHBondContact O-CB 3.27Å; Y53-K57 PolarHBondContact O-N 2.74Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 IonicContact OE2-NZ 3.21Å; K57-S60 VanDerWaalsContact C-OG 3.3Å; K57-S60 VanDerWaalsContact CA-OG 3.31Å; K57-S60 WeakPolarHBondContact CA-OG 3.35Å; K57-S60 PolarHBondContact O-N 3.11Å; K57-S60 PolarHBondContact O-OG 3.23Å; K57-H61 WeakPolarHBondContact O-CB 3.12Å; K57-H61 PolarHBondContact O-N 3.15Å
58	L	62.8	Low	71.6	Confident	116 Å²	116	110 Å²	110	61%	0.607	55%	0.548	S	S	*	.	H	α-helix	trans	-69.9	-42	175.1	-169.1	66.5	0	0	0	111.5	E54 Q55 S60 H61 E62	E54-L58 WeakPolarHBondContact O-CB 3.48Å; E54-L58 PolarHBondContact O-N 3.49Å; Q55-L58 PolarHBondContact O-N 2.96Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 2.87Å; L58-H61 CarbonylContact O-C 3.58Å; L58-H61 WeakPolarHBondContact O-CA 3.31Å; L58-H61 WeakPolarHBondContact O-CB 3.22Å; L58-H61 PolarHBondContact O-N 2.78Å; L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 3.44Å
59	L	60.8	Low	71.5	Confident	101 Å²	101	104.7 Å²	104.7	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-38.4	173.2	-79.6	160.4	0	0	0	112.4	Q55 K56 H61 E62 S63	Q55-L59 HydrophobicContact CG-CD1 4.19Å; Q55-L59 WeakPolarHBondContact O-CB 3.4Å; Q55-L59 WeakPolarHBondContact O-CD1 3.46Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.36Å; K56-L59 PolarHBondContact O-N 3.39Å; L59-H61 VanDerWaalsContact C-N 3.28Å; L59-H61 PolarHBondContact O-N 3.13Å; L59-E62 PolarHBondContact O-N 3.09Å; L59-S63 PolarHBondContact O-N 3Å; L59-S63 PolarHBondContact O-OG 3.26Å
60	S	52	Low	71.6	Confident	68 Å²	68	106.2 Å²	106.2	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-29.2	173	58.9	0	0	0	0	112.9	K56 K57 L58 S63	K56-S60 PolarHBondContact O-N 2.83Å; K56-S60 PolarHBondContact O-OG 3.08Å; K57-S60 VanDerWaalsContact C-OG 3.3Å; K57-S60 VanDerWaalsContact CA-OG 3.31Å; K57-S60 WeakPolarHBondContact CA-OG 3.35Å; K57-S60 PolarHBondContact O-N 3.11Å; K57-S60 PolarHBondContact O-OG 3.23Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 2.87Å; S60-S63 VanDerWaalsContact C-OG 3.32Å; S60-S63 WeakPolarHBondContact CA-OG 3.37Å; S60-S63 PolarHBondContact O-OG 3.33Å
61	H	53.4	Low	71.5	Confident	135 Å²	135	107.6 Å²	107.6	63%	0.625	54%	0.542	S	S	*	.	H	α-helix	trans	-81.5	-27	175.1	-168.5	-86.1	0	0	0	112	K57 L58 L59 V64	K57-H61 WeakPolarHBondContact O-CB 3.12Å; K57-H61 PolarHBondContact O-N 3.15Å; L58-H61 CarbonylContact O-C 3.58Å; L58-H61 WeakPolarHBondContact O-CA 3.31Å; L58-H61 WeakPolarHBondContact O-CB 3.22Å; L58-H61 PolarHBondContact O-N 2.78Å; L59-H61 VanDerWaalsContact C-N 3.28Å; L59-H61 PolarHBondContact O-N 3.13Å; H61-V64 VanDerWaalsContact O-CB 3.26Å; H61-V64 WeakPolarHBondContact O-CB 3.25Å; H61-V64 PolarHBondContact O-N 2.83Å
62	E	50.2	Low	70.8	Confident	147 Å²	147	106.6 Å²	106.6	69%	0.687	54%	0.543	S	S	*	.	H	α-helix	trans	-79.3	-25.3	175.2	-160.5	169.9	-165	0	0	111.9	L58 L59 V64	L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 3.44Å; L59-E62 PolarHBondContact O-N 3.09Å; E62-V64 PolarHBondContact O-N 3.5Å
63	S	49.3	Very low	69.9	Low	93 Å²	93	107.6 Å²	107.6	65%	0.65	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-7.1	164.2	56	0	0	0	0	113.9	L59 S60 K65	L59-S63 PolarHBondContact O-N 3Å; L59-S63 PolarHBondContact O-OG 3.26Å; S60-S63 VanDerWaalsContact C-OG 3.32Å; S60-S63 WeakPolarHBondContact CA-OG 3.37Å; S60-S63 PolarHBondContact O-OG 3.33Å; S63-K65 PolarHBondContact O-N 3.17Å
64	V	55.1	Low	68.9	Low	88 Å²	88	105.4 Å²	105.4	53%	0.533	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	100.6	169.3	-172.6	0	0	0	0	108.3	H61 E62	H61-V64 VanDerWaalsContact O-CB 3.26Å; H61-V64 WeakPolarHBondContact O-CB 3.25Å; H61-V64 PolarHBondContact O-N 2.83Å; E62-V64 PolarHBondContact O-N 3.5Å
65	K	58.2	Low	67.9	Low	179 Å²	179	104.5 Å²	104.5	78%	0.778	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.9	9.2	147.6	-82.8	179.4	-177.7	-175.8	0	115.4	S63 L67	S63-K65 PolarHBondContact O-N 3.17Å; K65-L67 PolarHBondContact O-N 2.93Å; K65-L67 VanDerWaalsContact O-N 3.12Å
66	E	77.1	Confident	67.3	Low	141 Å²	141	103 Å²	103	66%	0.659	59%	0.591	S	S	*	*			trans	-75	108.4	162.4	-154.8	166.5	-177.8	0	0	107.9	L83	E66-L83 HydrophobicContact CB-CB 4.05Å; E66-L83 HydrophobicContact CB-CD2 4.14Å; E66-L83 HydrophobicContact CG-CB 4.29Å; E66-L83 HydrophobicContact CG-CD1 4.26Å; E66-L83 HydrophobicContact CG-CD2 3.94Å; E66-L83 HydrophobicContact CG-CG 4.39Å; E66-L83 VanDerWaalsContact O-CB 3.27Å; E66-L83 WeakPolarHBondContact O-CB 3.42Å; E66-L83 PolarHBondContact O-N 2.99Å; E66-L83 WeakPolarHBondContact OE2-CD2 3.41Å
67	L	86.7	Confident	67.1	Low	70 Å²	70	99 Å²	99	37%	0.366	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109	138.1	-178.9	-71.8	161.4	0	0	0	108.5	K65 C80 C81 I211	K65-L67 PolarHBondContact O-N 2.93Å; K65-L67 VanDerWaalsContact O-N 3.12Å; L67-C80 HydrophobicContact CB-CB 4.25Å; L67-C80 HydrophobicContact CD2-CB 4.11Å; L67-C81 CarbonylContact C-O 3.51Å; L67-C81 WeakPolarHBondContact CA-O 3.26Å; L67-I211 HydrophobicContact CD2-CD1 3.77Å
68	S	89.4	Confident	67.6	Low	57 Å²	57	100 Å²	100	40%	0.399	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	122.6	164.1	-163.8	0	0	0	0	108	C80 C81 H87	S68-C80 CarbonylContact O-C 3.55Å; S68-C80 VanDerWaalsContact O-CA 3.22Å; S68-C80 WeakPolarHBondContact O-CA 3.38Å; S68-C81 PolarHBondContact N-O 2.95Å; S68-C81 PolarHBondContact O-N 3.04Å; S68-H87 PolarHBondContact O-CE1 3.39Å; S68-H87 PolarHBondContact O-NE2 2.96Å
69	C	88.9	Confident	68.8	Low	58 Å²	58	96 Å²	96	39%	0.392	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.5	147.2	-174.8	-54.1	0	0	0	0	111.8	K78 N79 C80	C69-K78 HydrophobicContact CB-CB 4.48Å; C69-N79 VanDerWaalsContact CA-O 3.23Å; C69-N79 WeakPolarHBondContact CA-O 3.16Å; C69-C80 HydrophobicContact CB-CB 4.06Å; C69-C80 WeakPolarHBondContact CB-SG 3.19Å; C69-C80 WeakPolarHBondContact SG-CB 3.43Å; C69-C80 CovalentContact SG-SG 2.03Å; C69-C80 PolarHBondContact SG-SG 3.1Å
70	Y	83.8	Confident	70.3	Confident	101 Å²	101	91.3 Å²	91.3	40%	0.396	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.7	167.5	67.9	-84.9	0	0	0	111.3	V72 K78 N79 H87 E210	Y70-V72 HydrophobicContact CE2-CG2 4.11Å; Y70-K78 WeakPolarHBondContact O-CA 3.23Å; Y70-N79 HydrophobicContact CD1-CB 4.4Å; Y70-N79 HydrophobicContact CE1-CB 3.76Å; Y70-N79 HydrophobicContact CE2-CB 4.35Å; Y70-N79 PolarHBondContact N-O 3.23Å; Y70-N79 PolarHBondContact O-N 3.37Å; Y70-N79 VanDerWaalsContact O-N 3.16Å; Y70-N79 PolarHBondContact OH-ND2 3.24Å; Y70-H87 AromaticContact CE1-ND1 3.68Å; Y70-E210 WeakPolarHBondContact CE1-OE1 3.44Å; Y70-E210 PolarHBondContact OH-OE1 3.33Å; Y70-E210 PolarHBondContact OH-OE2 3.22Å
71	S	81.1	Confident	72.3	Confident	94 Å²	94	88 Å²	88	66%	0.657	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	177	55.1	0	0	0	0	110.6
72	V	73.2	Confident	74.3	Confident	74 Å²	74	83.1 Å²	83.1	45%	0.448	49%	0.494	S	S	.	.			trans	-74.9	136	166.8	-173.2	0	0	0	0	108.4	Y70 S74	Y70-V72 HydrophobicContact CE2-CG2 4.11Å; V72-S74 PolarHBondContact O-N 2.94Å
73	A	64.3	Low	76.2	Confident	116 Å²	116	79.3 Å²	79.3	96%	0.959	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	13.2	-172.8	0	0	0	0	0	115.5
74	S	59.6	Low	78.1	Confident	107 Å²	107	81.2 Å²	81.2	75%	0.748	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	59	-178.4	-172.8	0	0	0	0	111.9	V72	V72-S74 PolarHBondContact O-N 2.94Å
75	G	59.5	Low	80.1	Confident	70 Å²	70	78.2 Å²	78.2	72%	0.722	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	54	154.1	0	0	0	0	0	118.2
76	S	64.3	Low	82	Confident	99 Å²	99	74.8 Å²	74.8	69%	0.692	45%	0.446	S	S	*	.	S	Bend	trans	89.3	38.2	155.5	81.8	0	0	0	0	120.6
77	V	68.6	Low	82.9	Confident	59 Å²	59	70.8 Å²	70.8	36%	0.358	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-99.8	125.1	153.7	-171.2	0	0	0	0	108.5	L214	V77-L214 HydrophobicContact CG2-CD1 4.19Å
78	K	80.4	Confident	83.4	Confident	127 Å²	127	69.7 Å²	69.7	55%	0.552	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.2	171	-75.6	-175.3	-179.6	-179.2	0	107.5	C69 Y70 P213	C69-K78 HydrophobicContact CB-CB 4.48Å; Y70-K78 WeakPolarHBondContact O-CA 3.23Å; K78-P213 HydrophobicContact CB-CG 4.36Å; K78-P213 WeakPolarHBondContact O-CD 3.18Å
79	N	88.6	Confident	83.6	Confident	33 Å²	33	72 Å²	72	18%	0.176	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.1	172.3	-70.6	12.4	0	0	0	108.2	C69 Y70 E210	C69-N79 VanDerWaalsContact CA-O 3.23Å; C69-N79 WeakPolarHBondContact CA-O 3.16Å; Y70-N79 HydrophobicContact CD1-CB 4.4Å; Y70-N79 HydrophobicContact CE1-CB 3.76Å; Y70-N79 HydrophobicContact CE2-CB 4.35Å; Y70-N79 PolarHBondContact N-O 3.23Å; Y70-N79 PolarHBondContact O-N 3.37Å; Y70-N79 VanDerWaalsContact O-N 3.16Å; Y70-N79 PolarHBondContact OH-ND2 3.24Å; N79-E210 HydrophobicContact CB-CB 4.36Å; N79-E210 WeakPolarHBondContact CB-OE2 3.46Å; N79-E210 PolarHBondContact ND2-OE2 3.42Å
80	C	92.5	Very high	83.9	Confident	1 Å²	1	73 Å²	73	1%	0.007	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.6	-171.2	-59.6	0	0	0	0	111.9	L67 S68 C69 I211	L67-C80 HydrophobicContact CB-CB 4.25Å; L67-C80 HydrophobicContact CD2-CB 4.11Å; S68-C80 CarbonylContact O-C 3.55Å; S68-C80 VanDerWaalsContact O-CA 3.22Å; S68-C80 WeakPolarHBondContact O-CA 3.38Å; C69-C80 HydrophobicContact CB-CB 4.06Å; C69-C80 WeakPolarHBondContact CB-SG 3.19Å; C69-C80 WeakPolarHBondContact SG-CB 3.43Å; C69-C80 CovalentContact SG-SG 2.03Å; C69-C80 PolarHBondContact SG-SG 3.1Å; C80-I211 HydrophobicContact CB-CB 4.28Å; C80-I211 WeakPolarHBondContact CB-O 3.47Å; C80-I211 PolarHBondContact N-O 3.47Å; C80-I211 PolarHBondContact O-N 3.29Å
81	C	94.6	Very high	84.5	Confident	0 Å²	0	69 Å²	69	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.7	164.3	-68.5	0	0	0	0	110.3	L67 S68 W85 H87 C92	L67-C81 CarbonylContact C-O 3.51Å; L67-C81 WeakPolarHBondContact CA-O 3.26Å; S68-C81 PolarHBondContact N-O 2.95Å; S68-C81 PolarHBondContact O-N 3.04Å; C81-W85 HydrophobicContact CB-CB 4.08Å; C81-H87 WeakPolarHBondContact CB-NE2 3.43Å; C81-H87 PolarHBondContact N-CE1 3.04Å; C81-H87 VanDerWaalsContact N-CE1 3.33Å; C81-H87 PolarHBondContact SG-CE1 3.12Å; C81-H87 PolarHBondContact SG-ND1 2.95Å; C81-C92 WeakPolarHBondContact CA-SG 3.26Å; C81-C92 HydrophobicContact CB-CB 3.69Å; C81-C92 WeakPolarHBondContact CB-SG 3.4Å; C81-C92 WeakPolarHBondContact SG-CA 3.41Å; C81-C92 WeakPolarHBondContact SG-CB 3.43Å; C81-C92 CovalentContact SG-SG 2.02Å; C81-C92 PolarHBondContact SG-SG 2.92Å
82	P	94.4	Very high	85.3	Confident	31 Å²	31	64.5 Å²	64.5	20%	0.201	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	146.6	168.6	-16.7	28.4	0	0	0	110.5	N84 W85 M208	P82-N84 PolarHBondContact O-N 2.03Å; P82-W85 HydrophobicContact CB-CD2 4.36Å; P82-W85 HydrophobicContact CB-CG 4.02Å; P82-W85 HydrophobicContact CG-CD2 4.05Å; P82-W85 HydrophobicContact CG-CG 4.13Å; P82-W85 VanDerWaalsContact O-CB 3.27Å; P82-W85 WeakPolarHBondContact O-CB 3.44Å; P82-W85 PolarHBondContact O-N 3.38Å; P82-M208 HydrophobicContact CG-SD 3.91Å
83	L	90.2	Very high	86.5	Confident	68 Å²	68	61.1 Å²	61.1	36%	0.356	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	138.6	-179.7	-171	75.4	0	0	0	110.9	E66 W85	E66-L83 HydrophobicContact CB-CB 4.05Å; E66-L83 HydrophobicContact CB-CD2 4.14Å; E66-L83 HydrophobicContact CG-CB 4.29Å; E66-L83 HydrophobicContact CG-CD1 4.26Å; E66-L83 HydrophobicContact CG-CD2 3.94Å; E66-L83 HydrophobicContact CG-CG 4.39Å; E66-L83 VanDerWaalsContact O-CB 3.27Å; E66-L83 WeakPolarHBondContact O-CB 3.42Å; E66-L83 PolarHBondContact O-N 2.99Å; E66-L83 WeakPolarHBondContact OE2-CD2 3.41Å; L83-W85 PolarHBondContact O-N 2.9Å
84	N	90.3	Very high	88.2	Confident	132 Å²	132	58.1 Å²	58.1	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	0.6	-176.9	-49.5	-60.5	0	0	0	115.9	P82	P82-N84 PolarHBondContact O-N 2.03Å
85	W	96.8	Very high	90	Very high	26 Å²	26	54.3 Å²	54.3	10%	0.098	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-79.7	152.1	165.5	-66.4	49	0	0	0	109.5	C81 P82 L83 C92 Y93 F94 M112 A114 C206 M208	C81-W85 HydrophobicContact CB-CB 4.08Å; P82-W85 HydrophobicContact CB-CD2 4.36Å; P82-W85 HydrophobicContact CB-CG 4.02Å; P82-W85 HydrophobicContact CG-CD2 4.05Å; P82-W85 HydrophobicContact CG-CG 4.13Å; P82-W85 VanDerWaalsContact O-CB 3.27Å; P82-W85 WeakPolarHBondContact O-CB 3.44Å; P82-W85 PolarHBondContact O-N 3.38Å; L83-W85 PolarHBondContact O-N 2.9Å; W85-C92 HydrophobicContact CB-CB 4.34Å; W85-C92 HydrophobicContact CD2-CB 4.48Å; W85-C92 HydrophobicContact CE3-CB 3.72Å; W85-C92 HydrophobicContact CZ3-CB 4.47Å; W85-Y93 CarbonylContact C-O 3.53Å; W85-Y93 WeakPolarHBondContact CA-O 3.27Å; W85-F94 HydrophobicContact CD2-CB 3.62Å; W85-F94 HydrophobicContact CE3-CB 3.77Å; W85-F94 HydrophobicContact CG-CB 4.25Å; W85-F94 HydrophobicContact CH2-CB 3.77Å; W85-F94 HydrophobicContact CZ2-CB 3.61Å; W85-F94 HydrophobicContact CZ2-CG 4.17Å; W85-F94 HydrophobicContact CZ3-CB 3.84Å; W85-F94 AromaticContact NE1-CD2 3.83Å; W85-M112 HydrophobicContact CH2-CE 4.41Å; W85-M112 HydrophobicContact CZ2-CB 4.35Å; W85-M112 HydrophobicContact CZ2-CE 4.2Å; W85-M112 HydrophobicContact CZ2-SD 3.93Å; W85-A114 HydrophobicContact CH2-CB 3.8Å; W85-A114 HydrophobicContact CZ3-CB 4.29Å; W85-C206 HydrophobicContact CH2-CB 3.96Å; W85-C206 HydrophobicContact CZ3-CB 4.29Å; W85-M208 HydrophobicContact CE3-CG 4.17Å; W85-M208 HydrophobicContact CE3-SD 4.38Å; W85-M208 HydrophobicContact CH2-CG 4.3Å; W85-M208 HydrophobicContact CH2-SD 4.05Å; W85-M208 HydrophobicContact CZ3-CB 4.45Å; W85-M208 HydrophobicContact CZ3-CG 3.69Å; W85-M208 HydrophobicContact CZ3-SD 3.95Å
86	K	97.3	Very high	91.9	Very high	107 Å²	107	51 Å²	51	47%	0.465	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.1	177.5	-58.4	-58.6	-176.5	-175.6	0	109.3	C92 Y93 F95 F127 T131	K86-C92 CarbonylContact O-C 3.58Å; K86-C92 WeakPolarHBondContact O-CA 3.08Å; K86-Y93 PolarHBondContact N-O 3.37Å; K86-Y93 WeakPolarHBondContact O-CD2 3.34Å; K86-Y93 PolarHBondContact O-N 2.87Å; K86-F95 HydrophobicContact CB-CE2 4.46Å; K86-F95 HydrophobicContact CG-CD2 4.26Å; K86-F95 HydrophobicContact CG-CE2 4.04Å; K86-F127 HydrophobicContact CB-CZ 3.89Å; K86-T131 HydrophobicContact CG-CG2 3.99Å
87	H	96.5	Very high	93.4	Very high	56 Å²	56	52 Å²	52	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.3	170.2	-69.9	-102.2	0	0	0	109.6	S68 Y70 C81 E210	S68-H87 PolarHBondContact O-CE1 3.39Å; S68-H87 PolarHBondContact O-NE2 2.96Å; Y70-H87 AromaticContact CE1-ND1 3.68Å; C81-H87 WeakPolarHBondContact CB-NE2 3.43Å; C81-H87 PolarHBondContact N-CE1 3.04Å; C81-H87 VanDerWaalsContact N-CE1 3.33Å; C81-H87 PolarHBondContact SG-CE1 3.12Å; C81-H87 PolarHBondContact SG-ND1 2.95Å; H87-E210 IonicContact CE1-OE1 2.65Å; H87-E210 IonicContact CG-OE1 2.82Å; H87-E210 IonicContact ND1-OE1 3.23Å; H87-E210 PolarHBondContact ND1-OE1 3.08Å
88	F	97.1	Very high	94.8	Very high	47 Å²	47	53.1 Å²	53.1	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	124.2	163.8	-179.9	-100.2	0	0	0	109.6	S90 S91 Y93 E123 E124 F127	F88-S90 PolarHBondContact O-N 3.35Å; F88-S91 PolarHBondContact N-O 2.83Å; F88-S91 VanDerWaalsContact N-O 3.08Å; F88-S91 PolarHBondContact O-N 3.1Å; F88-S91 VanDerWaalsContact O-N 3.09Å; F88-Y93 HydrophobicContact CB-CD2 4.1Å; F88-Y93 HydrophobicContact CB-CE2 3.65Å; F88-Y93 HydrophobicContact CD1-CE2 4.36Å; F88-E123 HydrophobicContact CZ-CB 4.13Å; F88-E123 WeakPolarHBondContact CZ-O 3.48Å; F88-E124 HydrophobicContact CD1-CG 4.43Å; F88-E124 VanDerWaalsContact CE1-CA 3.46Å; F88-E124 HydrophobicContact CE1-CB 3.93Å; F88-E124 HydrophobicContact CE1-CG 4.31Å; F88-F127 HydrophobicContact CB-CD1 3.71Å; F88-F127 HydrophobicContact CB-CD2 3.89Å; F88-F127 HydrophobicContact CB-CE1 3.55Å; F88-F127 HydrophobicContact CB-CE2 3.73Å; F88-F127 HydrophobicContact CB-CG 3.88Å; F88-F127 HydrophobicContact CB-CZ 3.56Å; F88-F127 HydrophobicContact CD1-CB 4.1Å; F88-F127 AromaticContact CD1-CD1 3.8Å; F88-F127 HydrophobicContact CD1-CD1 3.8Å; F88-F127 HydrophobicContact CD1-CE1 4.42Å; F88-F127 AromaticContact CD1-CG 3.91Å; F88-F127 HydrophobicContact CD1-CG 3.91Å; F88-F127 HydrophobicContact CD2-CB 3.7Å; F88-F127 HydrophobicContact CD2-CD1 4.11Å; F88-F127 AromaticContact CD2-CD2 3.47Å; F88-F127 HydrophobicContact CD2-CD2 3.47Å; F88-F127 VanDerWaalsContact CD2-CD2 3.47Å; F88-F127 HydrophobicContact CD2-CE2 4.11Å; F88-F127 AromaticContact CD2-CG 3.47Å; F88-F127 HydrophobicContact CD2-CG 3.47Å; F88-F127 VanDerWaalsContact CD2-CG 3.47Å; F88-F127 HydrophobicContact CE1-CB 3.97Å; F88-F127 HydrophobicContact CE1-CD1 4.44Å; F88-F127 HydrophobicContact CE1-CG 4.3Å; F88-F127 HydrophobicContact CE2-CB 3.56Å; F88-F127 HydrophobicContact CE2-CD2 4.13Å; F88-F127 AromaticContact CE2-CG 3.9Å; F88-F127 HydrophobicContact CE2-CG 3.9Å; F88-F127 HydrophobicContact CG-CB 3.97Å; F88-F127 AromaticContact CG-CD1 3.6Å; F88-F127 HydrophobicContact CG-CD1 3.6Å; F88-F127 AromaticContact CG-CD2 3.76Å; F88-F127 HydrophobicContact CG-CD2 3.76Å; F88-F127 HydrophobicContact CG-CE1 4Å; F88-F127 HydrophobicContact CG-CE2 4.14Å; F88-F127 AromaticContact CG-CG 3.47Å; F88-F127 HydrophobicContact CG-CG 3.47Å; F88-F127 VanDerWaalsContact CG-CG 3.47Å; F88-F127 HydrophobicContact CG-CZ 4.25Å; F88-F127 HydrophobicContact CZ-CB 3.68Å; F88-F127 HydrophobicContact CZ-CG 4.28Å
89	Q	94.4	Very high	95.7	Very high	106 Å²	106	50.7 Å²	50.7	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-123.1	-172.2	-57.9	178.8	11.2	0	0	111.1
90	S	94	Very high	96.2	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	17.3	-179.9	54.4	0	0	0	0	113.6	F88 E210	F88-S90 PolarHBondContact O-N 3.35Å; S90-E210 PolarHBondContact O-N 3.06Å
91	S	97.3	Very high	96.5	Very high	16 Å²	16	53.4 Å²	53.4	11%	0.112	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159	-178.4	-63.2	0	0	0	0	112.7	F88 Y93 E207 M208	F88-S91 PolarHBondContact N-O 2.83Å; F88-S91 VanDerWaalsContact N-O 3.08Å; F88-S91 PolarHBondContact O-N 3.1Å; F88-S91 VanDerWaalsContact O-N 3.09Å; S91-Y93 VanDerWaalsContact CB-CE2 3.5Å; S91-E207 WeakPolarHBondContact CB-OE1 3.46Å; S91-E207 PolarHBondContact OG-OE1 3.35Å; S91-M208 CarbonylContact C-O 3.55Å; S91-M208 WeakPolarHBondContact CA-O 3.26Å
92	C	98.1	Very high	96.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.3	176	-57.5	0	0	0	0	109.6	C81 W85 K86 E207 M208	C81-C92 WeakPolarHBondContact CA-SG 3.26Å; C81-C92 HydrophobicContact CB-CB 3.69Å; C81-C92 WeakPolarHBondContact CB-SG 3.4Å; C81-C92 WeakPolarHBondContact SG-CA 3.41Å; C81-C92 WeakPolarHBondContact SG-CB 3.43Å; C81-C92 CovalentContact SG-SG 2.02Å; C81-C92 PolarHBondContact SG-SG 2.92Å; W85-C92 HydrophobicContact CB-CB 4.34Å; W85-C92 HydrophobicContact CD2-CB 4.48Å; W85-C92 HydrophobicContact CE3-CB 3.72Å; W85-C92 HydrophobicContact CZ3-CB 4.47Å; K86-C92 CarbonylContact O-C 3.58Å; K86-C92 WeakPolarHBondContact O-CA 3.08Å; C92-E207 WeakPolarHBondContact O-CA 3.21Å; C92-M208 HydrophobicContact CB-CG 3.85Å; C92-M208 PolarHBondContact N-O 2.9Å; C92-M208 PolarHBondContact O-N 3.18Å
93	Y	98.7	Very high	96.9	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	-175.2	-57.7	-101.2	0	0	0	112.1	W85 K86 F88 S91 V117 E124 F127 L128 I205 C206 E207	W85-Y93 CarbonylContact C-O 3.53Å; W85-Y93 WeakPolarHBondContact CA-O 3.27Å; K86-Y93 PolarHBondContact N-O 3.37Å; K86-Y93 WeakPolarHBondContact O-CD2 3.34Å; K86-Y93 PolarHBondContact O-N 2.87Å; F88-Y93 HydrophobicContact CB-CD2 4.1Å; F88-Y93 HydrophobicContact CB-CE2 3.65Å; F88-Y93 HydrophobicContact CD1-CE2 4.36Å; S91-Y93 VanDerWaalsContact CB-CE2 3.5Å; Y93-V117 HydrophobicContact CD1-CG2 3.96Å; Y93-V117 HydrophobicContact CE1-CG2 3.73Å; Y93-E124 HydrophobicContact CE1-CG 4.26Å; Y93-E124 WeakPolarHBondContact OH-CG 3.41Å; Y93-E124 PolarHBondContact OH-OE1 3.15Å; Y93-F127 HydrophobicContact CD1-CE1 4.11Å; Y93-F127 AromaticContact CD2-CE1 3.6Å; Y93-F127 HydrophobicContact CD2-CE1 3.6Å; Y93-F127 HydrophobicContact CD2-CZ 4.09Å; Y93-F127 HydrophobicContact CE1-CE1 4.33Å; Y93-F127 AromaticContact CE2-CE1 3.93Å; Y93-F127 HydrophobicContact CE2-CE1 3.93Å; Y93-F127 AromaticContact CG-CE1 3.72Å; Y93-F127 HydrophobicContact CG-CE1 3.72Å; Y93-F127 HydrophobicContact CG-CZ 4.36Å; Y93-L128 HydrophobicContact CD1-CD2 3.75Å; Y93-L128 HydrophobicContact CE1-CD2 4.07Å; Y93-I205 HydrophobicContact CD1-CG2 4.48Å; Y93-C206 CarbonylContact C-O 3.09Å; Y93-C206 WeakPolarHBondContact CA-O 3.45Å; Y93-E207 HydrophobicContact CD1-CB 4.36Å; Y93-E207 HydrophobicContact CD1-CG 4.17Å; Y93-E207 HydrophobicContact CE1-CB 4.39Å; Y93-E207 HydrophobicContact CE1-CG 3.84Å
94	F	98.4	Very high	97.3	Very high	52 Å²	52	54.7 Å²	54.7	23%	0.228	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.8	174.2	175.2	-103.1	0	0	0	110.7	W85 M112 I205 C206	W85-F94 HydrophobicContact CD2-CB 3.62Å; W85-F94 HydrophobicContact CE3-CB 3.77Å; W85-F94 HydrophobicContact CG-CB 4.25Å; W85-F94 HydrophobicContact CH2-CB 3.77Å; W85-F94 HydrophobicContact CZ2-CB 3.61Å; W85-F94 HydrophobicContact CZ2-CG 4.17Å; W85-F94 HydrophobicContact CZ3-CB 3.84Å; W85-F94 AromaticContact NE1-CD2 3.83Å; F94-M112 HydrophobicContact CD1-CE 4.05Å; F94-M112 HydrophobicContact CE1-CE 4.37Å; F94-I205 CarbonylContact O-C 3.48Å; F94-I205 VanDerWaalsContact O-CA 3.24Å; F94-I205 WeakPolarHBondContact O-CA 3.36Å; F94-C206 HydrophobicContact CB-CB 4.17Å; F94-C206 PolarHBondContact N-O 3.25Å; F94-C206 PolarHBondContact O-N 2.95Å
95	F	98.5	Very high	97.7	Very high	27 Å²	27	48.4 Å²	48.4	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.9	173.8	-65.2	-98.2	0	0	0	108.9	K86 L128 T131 K132 F138 I205	K86-F95 HydrophobicContact CB-CE2 4.46Å; K86-F95 HydrophobicContact CG-CD2 4.26Å; K86-F95 HydrophobicContact CG-CE2 4.04Å; F95-L128 HydrophobicContact CE1-CD2 4.44Å; F95-L128 HydrophobicContact CZ-CD2 3.97Å; F95-T131 HydrophobicContact CD2-CG2 4.46Å; F95-T131 HydrophobicContact CE2-CG2 3.65Å; F95-T131 HydrophobicContact CZ-CG2 3.74Å; F95-K132 HydrophobicContact CD1-CB 4.13Å; F95-K132 HydrophobicContact CE1-CB 3.79Å; F95-F138 HydrophobicContact CB-CE1 4.3Å; F95-F138 HydrophobicContact CD1-CE1 4.37Å; F95-I205 HydrophobicContact CD1-CD1 3.85Å; F95-I205 HydrophobicContact CD1-CG1 3.65Å; F95-I205 HydrophobicContact CE1-CD1 3.54Å; F95-I205 HydrophobicContact CE1-CG1 3.81Å; F95-I205 HydrophobicContact CE1-CG2 4.39Å; F95-I205 HydrophobicContact CG-CG1 4.43Å; F95-I205 HydrophobicContact CZ-CD1 4.46Å
96	S	98.4	Very high	97.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	27%	0.273	C	S	.	.			trans	-67.8	149.7	-177.8	81.1	0	0	0	0	112.3	T98 P203 W204	S96-T98 PolarHBondContact OG-O 3.47Å; S96-T98 VanDerWaalsContact OG-O 3.08Å; S96-P203 WeakPolarHBondContact OG-CA 3.05Å; S96-W204 VanDerWaalsContact CB-CD2 3.47Å; S96-W204 VanDerWaalsContact CB-CE2 3.46Å; S96-W204 PolarHBondContact N-O 3.49Å; S96-W204 VanDerWaalsContact OG-CD2 3.32Å; S96-W204 VanDerWaalsContact OG-CZ3 3.3Å; S96-W204 WeakPolarHBondContact OG-CZ3 3.42Å; S96-W204 PolarHBondContact OG-N 2.95Å; S96-W204 PolarHBondContact OG-O 3.31Å
97	T	97.3	Very high	97.9	Very high	118 Å²	118	50.2 Å²	50.2	72%	0.724	28%	0.277	S	S	*	.	S	Bend	trans	-100.7	-16.5	176.1	56.8	0	0	0	0	112.7
98	T	97.8	Very high	98	Very high	84 Å²	84	49.6 Å²	49.6	52%	0.515	28%	0.276	S	S	.	.	S	Bend	trans	-105.2	-179.1	176.3	56.8	0	0	0	0	110.6	S96 P203 W204	S96-T98 PolarHBondContact OG-O 3.47Å; S96-T98 VanDerWaalsContact OG-O 3.08Å; T98-P203 WeakPolarHBondContact O-CA 3.45Å; T98-W204 WeakPolarHBondContact O-CZ3 3.3Å; T98-W204 VanDerWaalsContact OG1-CH2 3.29Å; T98-W204 WeakPolarHBondContact OG1-CH2 3.31Å
99	T	98.8	Very high	98.1	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	27%	0.266	S	S	.	.			trans	-122.7	146.3	179	63.6	0	0	0	0	111.4	M202 P203	T99-M202 VanDerWaalsContact CA-O 3.28Å; T99-M202 WeakPolarHBondContact CA-O 3.41Å; T99-P203 HydrophobicContact CG2-CG 4.01Å
100	L	98.8	Very high	98.2	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.277	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-145.4	162.4	178.2	-74.9	-179.7	0	0	0	109.3	S105 N108 Y139 S201 M202 W204	L100-S105 WeakPolarHBondContact CB-OG 3.36Å; L100-N108 HydrophobicContact CD1-CB 4.05Å; L100-Y139 WeakPolarHBondContact O-CE2 3.24Å; L100-S201 CarbonylContact O-C 3.48Å; L100-S201 WeakPolarHBondContact O-CA 3.39Å; L100-M202 PolarHBondContact N-O 2.68Å; L100-M202 PolarHBondContact O-N 3.12Å; L100-M202 VanDerWaalsContact O-O 3.13Å; L100-W204 HydrophobicContact CB-CE3 3.94Å; L100-W204 HydrophobicContact CB-CH2 4.38Å; L100-W204 HydrophobicContact CB-CZ3 3.75Å; L100-W204 HydrophobicContact CD1-CE3 4.26Å; L100-W204 HydrophobicContact CD1-CH2 3.43Å; L100-W204 VanDerWaalsContact CD1-CH2 3.43Å; L100-W204 HydrophobicContact CD1-CZ2 3.79Å; L100-W204 HydrophobicContact CD1-CZ3 3.69Å; L100-W204 HydrophobicContact CG-CE3 4.18Å; L100-W204 HydrophobicContact CG-CH2 3.71Å; L100-W204 HydrophobicContact CG-CZ3 3.51Å
101	T	98.9	Very high	98.4	Very high	38 Å²	38	48 Å²	48	23%	0.233	27%	0.268	C	S	.	.			trans	-67.7	160.6	167	64.4	0	0	0	0	110.6	S104 S105 F199 Y200	T101-S104 PolarHBondContact O-N 2.97Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 WeakPolarHBondContact OG1-CB 3.44Å; T101-S104 PolarHBondContact OG1-N 3.38Å; T101-S104 PolarHBondContact OG1-OG 3.34Å; T101-S105 WeakPolarHBondContact O-CB 3.49Å; T101-S105 PolarHBondContact O-N 2.82Å; T101-S105 PolarHBondContact O-OG 3.32Å; T101-F199 WeakPolarHBondContact CG2-O 3.27Å; T101-Y200 WeakPolarHBondContact CA-O 3.37Å
102	W	98.8	Very high	98.3	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-47.5	-179.5	-174.1	100.2	0	0	0	112.5	S104 S105 L106 L116 Y139 I140 T143 V154 C180 C198	W102-S104 VanDerWaalsContact C-N 3.29Å; W102-S104 PolarHBondContact O-N 2.92Å; W102-S105 WeakPolarHBondContact O-CB 3.24Å; W102-S105 PolarHBondContact O-N 2.87Å; W102-S105 VanDerWaalsContact O-N 3.13Å; W102-L106 HydrophobicContact CH2-CD2 3.85Å; W102-L106 HydrophobicContact CZ3-CD2 3.79Å; W102-L106 PolarHBondContact O-N 2.03Å; W102-L116 HydrophobicContact CD2-CD1 4.1Å; W102-L116 HydrophobicContact CG-CD1 4.3Å; W102-L116 HydrophobicContact CZ2-CD1 4.06Å; W102-Y139 HydrophobicContact CB-CD1 4.11Å; W102-Y139 HydrophobicContact CB-CD2 4.22Å; W102-Y139 HydrophobicContact CB-CE1 3.83Å; W102-Y139 HydrophobicContact CB-CE2 3.98Å; W102-Y139 HydrophobicContact CB-CG 4.3Å; W102-Y139 AromaticContact CD1-CD1 3.44Å; W102-Y139 VanDerWaalsContact CD1-CD1 3.44Å; W102-Y139 AromaticContact CD1-CE1 3.91Å; W102-Y139 AromaticContact CD1-CG 3.76Å; W102-Y139 HydrophobicContact CG-CD1 4.19Å; W102-Y139 HydrophobicContact CG-CE1 4.3Å; W102-Y139 HydrophobicContact CG-CG 4.42Å; W102-I140 PolarHBondContact NE1-O 3.32Å; W102-T143 HydrophobicContact CH2-CG2 3.68Å; W102-T143 HydrophobicContact CZ2-CG2 3.83Å; W102-T143 HydrophobicContact CZ3-CG2 4.47Å; W102-V154 HydrophobicContact CH2-CG1 3.48Å; W102-V154 VanDerWaalsContact CH2-CG1 3.48Å; W102-V154 HydrophobicContact CZ2-CG1 3.41Å; W102-V154 VanDerWaalsContact CZ2-CG1 3.41Å; W102-C180 HydrophobicContact CB-CB 4.1Å; W102-C180 VanDerWaalsContact CB-SG 3.57Å; W102-C180 VanDerWaalsContact CD2-SG 3.51Å; W102-C180 HydrophobicContact CG-CB 3.89Å; W102-C198 HydrophobicContact CB-CB 4.21Å; W102-C198 PolarHBondContact N-O 2.78Å
103	P	98.8	Very high	98.2	Very high	67 Å²	67	53.2 Å²	53.2	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-34.6	177.4	-22.5	34	0	0	0	113.3	K107	P103-K107 WeakPolarHBondContact O-CB 3.41Å; P103-K107 PolarHBondContact O-N 2.63Å; P103-K107 VanDerWaalsContact O-N 3.08Å
104	S	98.8	Very high	98.2	Very high	52 Å²	52	53.5 Å²	53.5	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-71.4	-34.8	177.5	-58.1	0	0	0	0	111.7	T101 W102 N108	T101-S104 PolarHBondContact O-N 2.97Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 WeakPolarHBondContact OG1-CB 3.44Å; T101-S104 PolarHBondContact OG1-N 3.38Å; T101-S104 PolarHBondContact OG1-OG 3.34Å; W102-S104 VanDerWaalsContact C-N 3.29Å; W102-S104 PolarHBondContact O-N 2.92Å; S104-N108 WeakPolarHBondContact O-CB 3.03Å; S104-N108 PolarHBondContact O-N 3.29Å
105	S	98.9	Very high	98.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-45	175.7	-54.8	0	0	0	0	110.9	L100 T101 W102 K107 N108 C109	L100-S105 WeakPolarHBondContact CB-OG 3.36Å; T101-S105 WeakPolarHBondContact O-CB 3.49Å; T101-S105 PolarHBondContact O-N 2.82Å; T101-S105 PolarHBondContact O-OG 3.32Å; W102-S105 WeakPolarHBondContact O-CB 3.24Å; W102-S105 PolarHBondContact O-N 2.87Å; W102-S105 VanDerWaalsContact O-N 3.13Å; S105-K107 PolarHBondContact O-N 3.23Å; S105-N108 PolarHBondContact O-N 3.23Å; S105-N108 VanDerWaalsContact O-N 3.16Å; S105-C109 PolarHBondContact O-N 3.34Å; S105-C109 PolarHBondContact O-SG 2.7Å; S105-C109 VanDerWaalsContact O-SG 3.38Å
106	L	98.7	Very high	98.2	Very high	45 Å²	45	52 Å²	52	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-51.7	173	180	59.3	0	0	0	111.2	W102 N108 C109 S110 L116 V154	W102-L106 HydrophobicContact CH2-CD2 3.85Å; W102-L106 HydrophobicContact CZ3-CD2 3.79Å; W102-L106 PolarHBondContact O-N 2.03Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 2.96Å; L106-C109 PolarHBondContact O-N 3.16Å; L106-S110 PolarHBondContact O-N 3.38Å; L106-S110 PolarHBondContact O-OG 2.76Å; L106-S110 VanDerWaalsContact O-OG 3.09Å; L106-L116 HydrophobicContact CB-CD1 3.86Å; L106-L116 HydrophobicContact CB-CG 4.35Å; L106-L116 HydrophobicContact CD1-CD1 4.35Å; L106-L116 HydrophobicContact CD1-CG 4.37Å; L106-V154 HydrophobicContact CD1-CB 4.03Å; L106-V154 HydrophobicContact CD1-CG1 3.87Å; L106-V154 HydrophobicContact CD1-CG2 4.35Å; L106-V154 HydrophobicContact CD2-CG1 4.23Å
107	K	98.8	Very high	98.2	Very high	126 Å²	126	51.9 Å²	51.9	55%	0.548	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-41.1	176.5	-175.4	173.5	-174.5	-73.2	0	112.4	P103 S105 S110 E111	P103-K107 WeakPolarHBondContact O-CB 3.41Å; P103-K107 PolarHBondContact O-N 2.63Å; P103-K107 VanDerWaalsContact O-N 3.08Å; S105-K107 PolarHBondContact O-N 3.23Å; K107-S110 PolarHBondContact O-N 2.89Å; K107-E111 IonicContact NZ-OE1 2.82Å; K107-E111 PolarHBondContact NZ-OE1 3.13Å; K107-E111 WeakPolarHBondContact O-CG 3.46Å; K107-E111 PolarHBondContact O-N 2.93Å
108	N	98.7	Very high	98.3	Very high	43 Å²	43	46.2 Å²	46.2	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-41.9	179.1	-175.5	-103.4	0	0	0	112.3	L100 S104 S105 L106 E111 M112 W204	L100-N108 HydrophobicContact CD1-CB 4.05Å; S104-N108 WeakPolarHBondContact O-CB 3.03Å; S104-N108 PolarHBondContact O-N 3.29Å; S105-N108 PolarHBondContact O-N 3.23Å; S105-N108 VanDerWaalsContact O-N 3.16Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 2.96Å; N108-E111 PolarHBondContact O-N 3.35Å; N108-M112 PolarHBondContact O-N 3.33Å; N108-M112 WeakPolarHBondContact OD1-CE 3.08Å; N108-W204 HydrophobicContact CB-CZ2 4.33Å; N108-W204 VanDerWaalsContact OD1-CZ2 3.24Å; N108-W204 WeakPolarHBondContact OD1-CZ2 3.26Å
109	C	98.7	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.7	-60.1	0	0	0	0	111.1	S105 L106 E111 M112 G113 A114 H115 W204 C206	S105-C109 PolarHBondContact O-N 3.34Å; S105-C109 PolarHBondContact O-SG 2.7Å; S105-C109 VanDerWaalsContact O-SG 3.38Å; L106-C109 PolarHBondContact O-N 3.16Å; C109-E111 VanDerWaalsContact C-N 3.31Å; C109-E111 PolarHBondContact O-N 2.97Å; C109-M112 CarbonylContact O-C 3.56Å; C109-M112 WeakPolarHBondContact O-CA 3.36Å; C109-M112 WeakPolarHBondContact O-CB 3.49Å; C109-M112 PolarHBondContact O-N 2.95Å; C109-G113 PolarHBondContact O-N 3.47Å; C109-A114 CarbonylContact C-O 3.56Å; C109-A114 HydrophobicContact CB-CB 4.22Å; C109-A114 CarbonylContact O-C 3.6Å; C109-A114 WeakPolarHBondContact O-CA 3.48Å; C109-A114 WeakPolarHBondContact O-CB 3.49Å; C109-A114 PolarHBondContact O-N 3.08Å; C109-A114 VanDerWaalsContact O-O 3.09Å; C109-H115 VanDerWaalsContact CB-C 3.45Å; C109-W204 VanDerWaalsContact SG-CD1 3.57Å; C109-C206 WeakPolarHBondContact CA-SG 3.29Å; C109-C206 HydrophobicContact CB-CB 3.72Å; C109-C206 WeakPolarHBondContact CB-SG 3.43Å; C109-C206 VanDerWaalsContact SG-CA 3.51Å; C109-C206 WeakPolarHBondContact SG-CB 3.46Å; C109-C206 CovalentContact SG-SG 2.03Å; C109-C206 PolarHBondContact SG-SG 2.91Å
110	S	98.3	Very high	98.3	Very high	71 Å²	71	42.3 Å²	42.3	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-38	178.2	-55.6	0	0	0	0	113.1	L106 K107 M112 G113 A114	L106-S110 PolarHBondContact O-N 3.38Å; L106-S110 PolarHBondContact O-OG 2.76Å; L106-S110 VanDerWaalsContact O-OG 3.09Å; K107-S110 PolarHBondContact O-N 2.89Å; S110-M112 PolarHBondContact O-N 3.46Å; S110-G113 PolarHBondContact O-N 3.06Å; S110-A114 VanDerWaalsContact CA-O 3.23Å; S110-A114 WeakPolarHBondContact CA-O 3.45Å; S110-A114 PolarHBondContact N-O 2.78Å
111	E	97.2	Very high	98.3	Very high	128 Å²	128	41.6 Å²	41.6	60%	0.598	24%	0.24	S	C	*	.	H	α-helix	trans	-63.9	-21.5	174.4	-74.4	171.2	178	0	0	113.1	K107 N108 C109	K107-E111 IonicContact NZ-OE1 2.82Å; K107-E111 PolarHBondContact NZ-OE1 3.13Å; K107-E111 WeakPolarHBondContact O-CG 3.46Å; K107-E111 PolarHBondContact O-N 2.93Å; N108-E111 PolarHBondContact O-N 3.35Å; C109-E111 VanDerWaalsContact C-N 3.31Å; C109-E111 PolarHBondContact O-N 2.97Å
112	M	95.4	Very high	98.3	Very high	67 Å²	67	41.1 Å²	41.1	33%	0.33	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.8	173.3	-62	-174.9	-68.4	0	0	113.4	W85 F94 N108 C109 S110 A114 C206	W85-M112 HydrophobicContact CH2-CE 4.41Å; W85-M112 HydrophobicContact CZ2-CB 4.35Å; W85-M112 HydrophobicContact CZ2-CE 4.2Å; W85-M112 HydrophobicContact CZ2-SD 3.93Å; F94-M112 HydrophobicContact CD1-CE 4.05Å; F94-M112 HydrophobicContact CE1-CE 4.37Å; N108-M112 PolarHBondContact O-N 3.33Å; N108-M112 WeakPolarHBondContact OD1-CE 3.08Å; C109-M112 CarbonylContact O-C 3.56Å; C109-M112 WeakPolarHBondContact O-CA 3.36Å; C109-M112 WeakPolarHBondContact O-CB 3.49Å; C109-M112 PolarHBondContact O-N 2.95Å; S110-M112 PolarHBondContact O-N 3.46Å; M112-A114 VanDerWaalsContact C-N 3.32Å; M112-C206 HydrophobicContact CE-CB 4.1Å; M112-C206 WeakPolarHBondContact CE-SG 3.49Å
113	G	96.3	Very high	98.3	Very high	59 Å²	59	45.3 Å²	45.3	61%	0.608	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	24.5	-173.4	0	0	0	0	0	113.6	C109 S110	C109-G113 PolarHBondContact O-N 3.47Å; S110-G113 PolarHBondContact O-N 3.06Å
114	A	98.1	Very high	98.3	Very high	9 Å²	9	42.3 Å²	42.3	7%	0.074	24%	0.237	C	C	.	.			trans	-122.7	177	-177.5	0	0	0	0	0	110.6	W85 C109 S110 M112 C206 E207 M208	W85-A114 HydrophobicContact CH2-CB 3.8Å; W85-A114 HydrophobicContact CZ3-CB 4.29Å; C109-A114 CarbonylContact C-O 3.56Å; C109-A114 HydrophobicContact CB-CB 4.22Å; C109-A114 CarbonylContact O-C 3.6Å; C109-A114 WeakPolarHBondContact O-CA 3.48Å; C109-A114 WeakPolarHBondContact O-CB 3.49Å; C109-A114 PolarHBondContact O-N 3.08Å; C109-A114 VanDerWaalsContact O-O 3.09Å; S110-A114 VanDerWaalsContact CA-O 3.23Å; S110-A114 WeakPolarHBondContact CA-O 3.45Å; S110-A114 PolarHBondContact N-O 2.78Å; M112-A114 VanDerWaalsContact C-N 3.32Å; A114-C206 HydrophobicContact CB-CB 4.03Å; A114-E207 VanDerWaalsContact CA-O 3.31Å; A114-E207 WeakPolarHBondContact CA-O 3.29Å; A114-E207 WeakPolarHBondContact CB-O 3.29Å; A114-M208 HydrophobicContact CB-CB 3.95Å
115	H	98.7	Very high	98.3	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.218	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	169.1	165.5	53	84.5	0	0	0	110.1	C109 V117 V154 C206 E207	C109-H115 VanDerWaalsContact CB-C 3.45Å; H115-V117 PolarHBondContact O-N 3.45Å; H115-V154 HydrophobicContact CB-CG2 4.07Å; H115-C206 CarbonylContact O-C 3.56Å; H115-C206 WeakPolarHBondContact O-CA 3.4Å; H115-E207 IonicContact CE1-OE2 3.81Å; H115-E207 PolarHBondContact CE1-OE2 3.09Å; H115-E207 PolarHBondContact N-O 3.45Å; H115-E207 PolarHBondContact O-N 2.8Å
116	L	98.9	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138	163.9	-78.4	170.4	0	0	0	108.3	W102 L106 V118 G141 V154 W204 I205	W102-L116 HydrophobicContact CD2-CD1 4.1Å; W102-L116 HydrophobicContact CG-CD1 4.3Å; W102-L116 HydrophobicContact CZ2-CD1 4.06Å; L106-L116 HydrophobicContact CB-CD1 3.86Å; L106-L116 HydrophobicContact CB-CG 4.35Å; L106-L116 HydrophobicContact CD1-CD1 4.35Å; L106-L116 HydrophobicContact CD1-CG 4.37Å; L116-V118 PolarHBondContact O-N 2.81Å; L116-G141 VanDerWaalsContact CB-CA 3.45Å; L116-V154 HydrophobicContact CB-CG2 4.32Å; L116-V154 WeakPolarHBondContact O-CG2 3.31Å; L116-W204 HydrophobicContact CD2-CB 3.76Å; L116-W204 HydrophobicContact CD2-CG 4.2Å; L116-I205 WeakPolarHBondContact CA-O 3.21Å
117	V	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.			trans	-52.4	135.7	-171.3	63.9	0	0	0	0	112.9	Y93 H115 I119 L128 I140 G141 I205 E207	Y93-V117 HydrophobicContact CD1-CG2 3.96Å; Y93-V117 HydrophobicContact CE1-CG2 3.73Å; H115-V117 PolarHBondContact O-N 3.45Å; V117-I119 HydrophobicContact CG2-CG1 4.49Å; V117-L128 HydrophobicContact CG1-CD1 4.36Å; V117-L128 HydrophobicContact CG2-CD1 3.83Å; V117-L128 HydrophobicContact CG2-CD2 4.37Å; V117-I140 HydrophobicContact CG1-CB 3.84Å; V117-I140 HydrophobicContact CG1-CG2 3.61Å; V117-G141 WeakPolarHBondContact O-CA 3.13Å; V117-G141 PolarHBondContact O-N 3.17Å; V117-I205 HydrophobicContact CB-CB 4.25Å; V117-I205 HydrophobicContact CB-CG2 3.88Å; V117-I205 HydrophobicContact CG1-CB 3.74Å; V117-I205 HydrophobicContact CG1-CG2 3.83Å; V117-I205 HydrophobicContact CG2-CG2 4.47Å; V117-I205 PolarHBondContact N-O 2.97Å; V117-E207 HydrophobicContact CB-CB 4.06Å; V117-E207 HydrophobicContact CG2-CB 4.06Å
118	V	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.			trans	-114.7	115.2	178.7	171.8	0	0	0	0	107.8	L116 N120 W153 V154 D155 T157 E207	L116-V118 PolarHBondContact O-N 2.81Å; V118-N120 PolarHBondContact O-N 3.08Å; V118-W153 HydrophobicContact CB-CD2 4.4Å; V118-W153 HydrophobicContact CB-CE3 4.06Å; V118-W153 HydrophobicContact CG1-CB 4Å; V118-W153 HydrophobicContact CG1-CD2 3.73Å; V118-W153 HydrophobicContact CG1-CE3 3.9Å; V118-W153 HydrophobicContact CG1-CG 3.79Å; V118-W153 HydrophobicContact CG2-CB 4.18Å; V118-W153 HydrophobicContact CG2-CD2 4.41Å; V118-W153 HydrophobicContact CG2-CE3 3.93Å; V118-V154 HydrophobicContact CG2-CG2 3.89Å; V118-D155 HydrophobicContact CG2-CB 4.13Å; V118-T157 HydrophobicContact CG1-CG2 4.36Å; V118-E207 PolarHBondContact N-OE2 2.87Å
119	I	98.8	Very high	98.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	19%	0.192	C	C	.	.			trans	-87	102.1	-169.5	-56	-178.3	0	0	0	109.3	V117 E124 Q125 L128 I140 W153 F165 W193	V117-I119 HydrophobicContact CG2-CG1 4.49Å; I119-E124 WeakPolarHBondContact CA-OE2 3.01Å; I119-Q125 VanDerWaalsContact CD1-OE1 3.29Å; I119-Q125 HydrophobicContact CG2-CB 3.84Å; I119-L128 HydrophobicContact CD1-CD1 3.62Å; I119-L128 HydrophobicContact CG1-CD1 3.72Å; I119-I140 HydrophobicContact CD1-CD1 4.13Å; I119-I140 HydrophobicContact CD1-CG2 4.41Å; I119-W153 HydrophobicContact CB-CH2 3.82Å; I119-W153 HydrophobicContact CB-CZ2 4.21Å; I119-W153 HydrophobicContact CG1-CH2 3.99Å; I119-W153 HydrophobicContact CG1-CZ3 4.49Å; I119-F165 HydrophobicContact CG2-CD2 4.29Å; I119-F165 HydrophobicContact CG2-CE2 3.89Å; I119-W193 HydrophobicContact CB-CZ2 4.12Å; I119-W193 HydrophobicContact CD1-CZ2 3.79Å; I119-W193 HydrophobicContact CG1-CZ2 4.42Å; I119-W193 HydrophobicContact CG2-CZ2 4.37Å
120	N	98.1	Very high	98.2	Very high	73 Å²	73	40 Å²	40	39%	0.39	22%	0.221	S	C	.	.			trans	-90	-23.2	-175.7	-61.6	141.1	0	0	0	113.4	V118 E124 L163	V118-N120 PolarHBondContact O-N 3.08Å; N120-E124 PolarHBondContact N-OE2 3.09Å; N120-L163 WeakPolarHBondContact O-CD1 3.45Å
121	T	98.4	Very high	98.1	Very high	38 Å²	38	38.9 Å²	38.9	23%	0.233	21%	0.211	C	C	.	.			trans	-139.1	154.1	-174.1	65.8	0	0	0	0	113.5	E123 E124 Q125	T121-E123 PolarHBondContact O-N 3.01Å; T121-E124 WeakPolarHBondContact O-CB 3.27Å; T121-E124 PolarHBondContact O-N 2.69Å; T121-E124 VanDerWaalsContact OG1-CB 3.26Å; T121-E124 WeakPolarHBondContact OG1-CB 3.42Å; T121-E124 PolarHBondContact OG1-N 3.43Å; T121-E124 VanDerWaalsContact OG1-N 3.13Å; T121-Q125 PolarHBondContact O-N 2.82Å; T121-Q125 VanDerWaalsContact O-N 3.08Å
122	P	98.4	Very high	98.1	Very high	28 Å²	28	33 Å²	33	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-32.1	171.6	-21.9	33.4	0	0	0	113.5	Q125 E126 L163 F165 R190	P122-Q125 WeakPolarHBondContact O-CB 3.4Å; P122-Q125 PolarHBondContact O-N 2.88Å; P122-E126 WeakPolarHBondContact O-CG 3.4Å; P122-E126 PolarHBondContact O-N 2.99Å; P122-L163 HydrophobicContact CG-CD2 3.98Å; P122-F165 HydrophobicContact CB-CE1 4.46Å; P122-F165 HydrophobicContact CB-CZ 4.2Å; P122-F165 HydrophobicContact CG-CZ 4.25Å; P122-R190 VanDerWaalsContact CB-CZ 3.48Å
123	E	98.7	Very high	98.1	Very high	95 Å²	95	32.4 Å²	32.4	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-38.5	178	-65.7	66.3	-142.1	0	0	111.1	F88 T121 E126 F127	F88-E123 HydrophobicContact CZ-CB 4.13Å; F88-E123 WeakPolarHBondContact CZ-O 3.48Å; T121-E123 PolarHBondContact O-N 3.01Å; E123-E126 PolarHBondContact O-N 3.08Å; E123-F127 WeakPolarHBondContact O-CB 3.37Å; E123-F127 PolarHBondContact O-N 2.8Å
124	E	98.8	Very high	98.1	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-46.5	173.3	-171.7	-168.1	168	0	0	111.9	F88 Y93 I119 N120 T121 E126 F127 L128	F88-E124 HydrophobicContact CD1-CG 4.43Å; F88-E124 VanDerWaalsContact CE1-CA 3.46Å; F88-E124 HydrophobicContact CE1-CB 3.93Å; F88-E124 HydrophobicContact CE1-CG 4.31Å; Y93-E124 HydrophobicContact CE1-CG 4.26Å; Y93-E124 WeakPolarHBondContact OH-CG 3.41Å; Y93-E124 PolarHBondContact OH-OE1 3.15Å; I119-E124 WeakPolarHBondContact CA-OE2 3.01Å; N120-E124 PolarHBondContact N-OE2 3.09Å; T121-E124 WeakPolarHBondContact O-CB 3.27Å; T121-E124 PolarHBondContact O-N 2.69Å; T121-E124 VanDerWaalsContact OG1-CB 3.26Å; T121-E124 WeakPolarHBondContact OG1-CB 3.42Å; T121-E124 PolarHBondContact OG1-N 3.43Å; T121-E124 VanDerWaalsContact OG1-N 3.13Å; E124-E126 VanDerWaalsContact C-N 3.27Å; E124-E126 PolarHBondContact O-N 2.77Å; E124-F127 WeakPolarHBondContact O-CB 3.35Å; E124-F127 PolarHBondContact O-N 2.82Å; E124-F127 VanDerWaalsContact O-N 3.12Å; E124-L128 HydrophobicContact CG-CD1 4.32Å; E124-L128 WeakPolarHBondContact O-CG 3.24Å; E124-L128 PolarHBondContact O-N 2.84Å
125	Q	98.8	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-52.6	-46.7	173.1	169.9	58.5	40.3	0	0	111.9	I119 T121 P122 L128 S129 F165 P189 N192	I119-Q125 VanDerWaalsContact CD1-OE1 3.29Å; I119-Q125 HydrophobicContact CG2-CB 3.84Å; T121-Q125 PolarHBondContact O-N 2.82Å; T121-Q125 VanDerWaalsContact O-N 3.08Å; P122-Q125 WeakPolarHBondContact O-CB 3.4Å; P122-Q125 PolarHBondContact O-N 2.88Å; Q125-L128 PolarHBondContact O-N 3.06Å; Q125-S129 WeakPolarHBondContact O-CB 3.47Å; Q125-S129 PolarHBondContact O-N 2.91Å; Q125-F165 HydrophobicContact CB-CD2 3.69Å; Q125-F165 HydrophobicContact CB-CE2 3.58Å; Q125-F165 HydrophobicContact CB-CG 4.27Å; Q125-F165 HydrophobicContact CB-CZ 4.04Å; Q125-F165 HydrophobicContact CG-CB 4.06Å; Q125-F165 HydrophobicContact CG-CD1 4.04Å; Q125-F165 HydrophobicContact CG-CD2 3.44Å; Q125-F165 VanDerWaalsContact CG-CD2 3.44Å; Q125-F165 HydrophobicContact CG-CE1 4.36Å; Q125-F165 HydrophobicContact CG-CE2 3.84Å; Q125-F165 HydrophobicContact CG-CG 3.57Å; Q125-F165 HydrophobicContact CG-CZ 4.28Å; Q125-P189 WeakPolarHBondContact CG-O 3.35Å; Q125-P189 PolarHBondContact NE2-O 2.82Å; Q125-N192 VanDerWaalsContact NE2-CG 3.32Å; Q125-N192 PolarHBondContact NE2-ND2 2.82Å; Q125-N192 PolarHBondContact NE2-OD1 3.39Å
126	E	98.6	Very high	97.8	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-43.9	177.7	-75.7	177.3	-173.9	0	0	112.3	P122 E123 E124 L128 S129 Q130 P189 R190	P122-E126 WeakPolarHBondContact O-CG 3.4Å; P122-E126 PolarHBondContact O-N 2.99Å; E123-E126 PolarHBondContact O-N 3.08Å; E124-E126 VanDerWaalsContact C-N 3.27Å; E124-E126 PolarHBondContact O-N 2.77Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 2.65Å; E126-S129 PolarHBondContact O-N 3.49Å; E126-Q130 WeakPolarHBondContact O-CB 3.45Å; E126-Q130 VanDerWaalsContact O-CG 3.25Å; E126-Q130 WeakPolarHBondContact O-CG 3.42Å; E126-Q130 PolarHBondContact O-N 3.05Å; E126-P189 HydrophobicContact CG-CB 4.16Å; E126-P189 HydrophobicContact CG-CG 4.19Å; E126-R190 HydrophobicContact CG-CG 4.18Å; E126-R190 IonicContact OE1-CZ 3.1Å; E126-R190 IonicContact OE1-NE 2.82Å; E126-R190 PolarHBondContact OE1-NE 2.91Å; E126-R190 IonicContact OE1-NH2 2.71Å; E126-R190 PolarHBondContact OE1-NH2 2.86Å
127	F	98.7	Very high	97.7	Very high	26 Å²	26	48.2 Å²	48.2	11%	0.114	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-47.6	174.7	160.8	-102.5	0	0	0	111.6	K86 F88 Y93 E123 E124 Q130 T131	K86-F127 HydrophobicContact CB-CZ 3.89Å; F88-F127 HydrophobicContact CB-CD1 3.71Å; F88-F127 HydrophobicContact CB-CD2 3.89Å; F88-F127 HydrophobicContact CB-CE1 3.55Å; F88-F127 HydrophobicContact CB-CE2 3.73Å; F88-F127 HydrophobicContact CB-CG 3.88Å; F88-F127 HydrophobicContact CB-CZ 3.56Å; F88-F127 HydrophobicContact CD1-CB 4.1Å; F88-F127 AromaticContact CD1-CD1 3.8Å; F88-F127 HydrophobicContact CD1-CD1 3.8Å; F88-F127 HydrophobicContact CD1-CE1 4.42Å; F88-F127 AromaticContact CD1-CG 3.91Å; F88-F127 HydrophobicContact CD1-CG 3.91Å; F88-F127 HydrophobicContact CD2-CB 3.7Å; F88-F127 HydrophobicContact CD2-CD1 4.11Å; F88-F127 AromaticContact CD2-CD2 3.47Å; F88-F127 HydrophobicContact CD2-CD2 3.47Å; F88-F127 VanDerWaalsContact CD2-CD2 3.47Å; F88-F127 HydrophobicContact CD2-CE2 4.11Å; F88-F127 AromaticContact CD2-CG 3.47Å; F88-F127 HydrophobicContact CD2-CG 3.47Å; F88-F127 VanDerWaalsContact CD2-CG 3.47Å; F88-F127 HydrophobicContact CE1-CB 3.97Å; F88-F127 HydrophobicContact CE1-CD1 4.44Å; F88-F127 HydrophobicContact CE1-CG 4.3Å; F88-F127 HydrophobicContact CE2-CB 3.56Å; F88-F127 HydrophobicContact CE2-CD2 4.13Å; F88-F127 AromaticContact CE2-CG 3.9Å; F88-F127 HydrophobicContact CE2-CG 3.9Å; F88-F127 HydrophobicContact CG-CB 3.97Å; F88-F127 AromaticContact CG-CD1 3.6Å; F88-F127 HydrophobicContact CG-CD1 3.6Å; F88-F127 AromaticContact CG-CD2 3.76Å; F88-F127 HydrophobicContact CG-CD2 3.76Å; F88-F127 HydrophobicContact CG-CE1 4Å; F88-F127 HydrophobicContact CG-CE2 4.14Å; F88-F127 AromaticContact CG-CG 3.47Å; F88-F127 HydrophobicContact CG-CG 3.47Å; F88-F127 VanDerWaalsContact CG-CG 3.47Å; F88-F127 HydrophobicContact CG-CZ 4.25Å; F88-F127 HydrophobicContact CZ-CB 3.68Å; F88-F127 HydrophobicContact CZ-CG 4.28Å; Y93-F127 HydrophobicContact CD1-CE1 4.11Å; Y93-F127 AromaticContact CD2-CE1 3.6Å; Y93-F127 HydrophobicContact CD2-CE1 3.6Å; Y93-F127 HydrophobicContact CD2-CZ 4.09Å; Y93-F127 HydrophobicContact CE1-CE1 4.33Å; Y93-F127 AromaticContact CE2-CE1 3.93Å; Y93-F127 HydrophobicContact CE2-CE1 3.93Å; Y93-F127 AromaticContact CG-CE1 3.72Å; Y93-F127 HydrophobicContact CG-CE1 3.72Å; Y93-F127 HydrophobicContact CG-CZ 4.36Å; E123-F127 WeakPolarHBondContact O-CB 3.37Å; E123-F127 PolarHBondContact O-N 2.8Å; E124-F127 WeakPolarHBondContact O-CB 3.35Å; E124-F127 PolarHBondContact O-N 2.82Å; E124-F127 VanDerWaalsContact O-N 3.12Å; F127-Q130 PolarHBondContact O-N 2.82Å; F127-T131 WeakPolarHBondContact CD2-OG1 3.42Å; F127-T131 HydrophobicContact CE2-CG2 4.19Å; F127-T131 VanDerWaalsContact CE2-OG1 3.22Å; F127-T131 WeakPolarHBondContact CE2-OG1 3.12Å; F127-T131 HydrophobicContact CZ-CG2 4.24Å; F127-T131 WeakPolarHBondContact O-CB 3.45Å; F127-T131 PolarHBondContact O-N 2.86Å; F127-T131 PolarHBondContact O-OG1 2.69Å
128	L	98.7	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-45	178.8	-66.1	173.2	0	0	0	111.4	Y93 F95 V117 I119 E124 Q125 E126 Q130 T131 K132 I183 I205	Y93-L128 HydrophobicContact CD1-CD2 3.75Å; Y93-L128 HydrophobicContact CE1-CD2 4.07Å; F95-L128 HydrophobicContact CE1-CD2 4.44Å; F95-L128 HydrophobicContact CZ-CD2 3.97Å; V117-L128 HydrophobicContact CG1-CD1 4.36Å; V117-L128 HydrophobicContact CG2-CD1 3.83Å; V117-L128 HydrophobicContact CG2-CD2 4.37Å; I119-L128 HydrophobicContact CD1-CD1 3.62Å; I119-L128 HydrophobicContact CG1-CD1 3.72Å; E124-L128 HydrophobicContact CG-CD1 4.32Å; E124-L128 WeakPolarHBondContact O-CG 3.24Å; E124-L128 PolarHBondContact O-N 2.84Å; Q125-L128 PolarHBondContact O-N 3.06Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 2.65Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.36Å; L128-T131 PolarHBondContact O-N 2.65Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.71Å; L128-I183 HydrophobicContact CB-CD1 3.94Å; L128-I205 HydrophobicContact CD2-CD1 4.43Å; L128-I205 HydrophobicContact CD2-CG2 4.23Å
129	S	98.1	Very high	97.7	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-37.8	178.7	-175	0	0	0	0	113.1	Q125 E126 K134 P189 N192	Q125-S129 WeakPolarHBondContact O-CB 3.47Å; Q125-S129 PolarHBondContact O-N 2.91Å; E126-S129 PolarHBondContact O-N 3.49Å; S129-K134 PolarHBondContact O-NZ 3.32Å; S129-K134 VanDerWaalsContact O-NZ 3.12Å; S129-P189 WeakPolarHBondContact OG-CA 3.48Å; S129-N192 PolarHBondContact OG-ND2 3.37Å
130	Q	97.4	Very high	97.7	Very high	130 Å²	130	48 Å²	48	61%	0.607	23%	0.234	S	C	*	.	H	α-helix	trans	-77.3	-39.3	178.3	-69	174.2	24.7	0	0	112.3	E126 F127 L128	E126-Q130 WeakPolarHBondContact O-CB 3.45Å; E126-Q130 VanDerWaalsContact O-CG 3.25Å; E126-Q130 WeakPolarHBondContact O-CG 3.42Å; E126-Q130 PolarHBondContact O-N 3.05Å; F127-Q130 PolarHBondContact O-N 2.82Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.36Å
131	T	97.8	Very high	97.8	Very high	49 Å²	49	44.6 Å²	44.6	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-82.7	-31.6	-172	-57.6	0	0	0	0	113	K86 F95 F127 L128	K86-T131 HydrophobicContact CG-CG2 3.99Å; F95-T131 HydrophobicContact CD2-CG2 4.46Å; F95-T131 HydrophobicContact CE2-CG2 3.65Å; F95-T131 HydrophobicContact CZ-CG2 3.74Å; F127-T131 WeakPolarHBondContact CD2-OG1 3.42Å; F127-T131 HydrophobicContact CE2-CG2 4.19Å; F127-T131 VanDerWaalsContact CE2-OG1 3.22Å; F127-T131 WeakPolarHBondContact CE2-OG1 3.12Å; F127-T131 HydrophobicContact CZ-CG2 4.24Å; F127-T131 WeakPolarHBondContact O-CB 3.45Å; F127-T131 PolarHBondContact O-N 2.86Å; F127-T131 PolarHBondContact O-OG1 2.69Å; L128-T131 PolarHBondContact O-N 2.65Å
132	K	96.9	Very high	97.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.017	20%	0.204	C	C	.	.	S	Bend	trans	-59.4	140.4	-177.9	77.5	-177.4	-169.3	68.2	0	111.2	F95 L128 K134 K136 F138 I183 R184 D185	F95-K132 HydrophobicContact CD1-CB 4.13Å; F95-K132 HydrophobicContact CE1-CB 3.79Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.71Å; K132-K134 PolarHBondContact O-N 2.85Å; K132-K136 PolarHBondContact NZ-O 3.47Å; K132-F138 HydrophobicContact CB-CD2 4.2Å; K132-F138 HydrophobicContact CB-CE2 4.1Å; K132-F138 HydrophobicContact CD-CD2 4.35Å; K132-I183 HydrophobicContact CD-CD1 3.73Å; K132-I183 HydrophobicContact CD-CG1 3.85Å; K132-R184 VanDerWaalsContact CE-C 3.47Å; K132-R184 WeakPolarHBondContact CE-O 3.3Å; K132-R184 PolarHBondContact NZ-O 2.89Å; K132-D185 IonicContact NZ-OD1 2.65Å; K132-D185 PolarHBondContact NZ-OD1 3.21Å
133	P	95.6	Very high	97.8	Very high	55 Å²	55	41.8 Å²	41.8	36%	0.357	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-51.5	131.7	169.4	-28.3	34.9	0	0	0	111.9	K136 F138	P133-K136 HydrophobicContact CB-CD 4.21Å; P133-F138 HydrophobicContact CB-CE2 4.42Å; P133-F138 HydrophobicContact CB-CZ 4.2Å; P133-F138 HydrophobicContact CG-CE2 4.42Å; P133-F138 HydrophobicContact CG-CZ 3.86Å
134	K	94.8	Very high	97.8	Very high	127 Å²	127	37.4 Å²	37.4	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	157.6	178.1	-56.7	-55.1	-178.6	-169.2	0	111.2	S129 K132 K136	S129-K134 PolarHBondContact O-NZ 3.32Å; S129-K134 VanDerWaalsContact O-NZ 3.12Å; K132-K134 PolarHBondContact O-N 2.85Å; K134-K136 PolarHBondContact O-N 2.87Å
135	K	94.7	Very high	97.7	Very high	195 Å²	195	42 Å²	42	85%	0.848	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	27.8	-177.7	-51.8	-179.5	-179.8	-178.8	0	113.5	D185	K135-D185 VanDerWaalsContact CA-OD2 3.24Å; K135-D185 WeakPolarHBondContact CA-OD2 3.4Å; K135-D185 PolarHBondContact N-OD2 3.26Å
136	K	95.4	Very high	97.6	Very high	85 Å²	85	47 Å²	47	37%	0.37	23%	0.229	S	C	.	.			trans	-137.3	150.7	176.8	-67.9	-168.3	-178.6	-171.2	0	110	K132 P133 K134 F138 P203	K132-K136 PolarHBondContact NZ-O 3.47Å; P133-K136 HydrophobicContact CB-CD 4.21Å; K134-K136 PolarHBondContact O-N 2.87Å; K136-F138 HydrophobicContact CB-CD2 4.22Å; K136-F138 HydrophobicContact CB-CE2 3.48Å; K136-F138 VanDerWaalsContact CB-CE2 3.48Å; K136-F138 HydrophobicContact CB-CZ 4.07Å; K136-F138 HydrophobicContact CD-CE2 4.31Å; K136-F138 HydrophobicContact CD-CZ 4.04Å; K136-P203 HydrophobicContact CD-CG 4.32Å
137	E	97.9	Very high	97.5	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	23%	0.234	C	C	.	.			trans	-115	139.1	175.9	-176.3	163.4	-140.1	0	0	107.9	T182 I183 R184 N194 P203	E137-T182 HydrophobicContact CG-CG2 3.96Å; E137-T182 WeakPolarHBondContact CG-OG1 3.3Å; E137-T182 PolarHBondContact OE1-OG1 2.8Å; E137-I183 VanDerWaalsContact CA-O 3.26Å; E137-I183 WeakPolarHBondContact CA-O 3.42Å; E137-R184 HydrophobicContact CB-CB 4.3Å; E137-R184 HydrophobicContact CG-CB 4Å; E137-N194 WeakPolarHBondContact OE1-CB 3.42Å; E137-N194 PolarHBondContact OE1-ND2 3.46Å; E137-P203 VanDerWaalsContact O-CD 3.24Å; E137-P203 WeakPolarHBondContact O-CD 3.47Å
138	F	98.9	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.5	-171.9	-71.6	-103.2	0	0	0	111.2	F95 K132 P133 K136 T182 I183 P203 I205	F95-F138 HydrophobicContact CB-CE1 4.3Å; F95-F138 HydrophobicContact CD1-CE1 4.37Å; K132-F138 HydrophobicContact CB-CD2 4.2Å; K132-F138 HydrophobicContact CB-CE2 4.1Å; K132-F138 HydrophobicContact CD-CD2 4.35Å; P133-F138 HydrophobicContact CB-CE2 4.42Å; P133-F138 HydrophobicContact CB-CZ 4.2Å; P133-F138 HydrophobicContact CG-CE2 4.42Å; P133-F138 HydrophobicContact CG-CZ 3.86Å; K136-F138 HydrophobicContact CB-CD2 4.22Å; K136-F138 HydrophobicContact CB-CE2 3.48Å; K136-F138 VanDerWaalsContact CB-CE2 3.48Å; K136-F138 HydrophobicContact CB-CZ 4.07Å; K136-F138 HydrophobicContact CD-CE2 4.31Å; K136-F138 HydrophobicContact CD-CZ 4.04Å; F138-T182 CarbonylContact O-C 3.51Å; F138-T182 WeakPolarHBondContact O-CA 3.36Å; F138-T182 VanDerWaalsContact O-CB 3.3Å; F138-T182 WeakPolarHBondContact O-CB 3.45Å; F138-I183 HydrophobicContact CB-CG1 3.99Å; F138-I183 PolarHBondContact N-O 3.25Å; F138-I183 PolarHBondContact O-N 3.23Å; F138-P203 CarbonylContact C-O 3.6Å; F138-P203 VanDerWaalsContact CA-O 3.28Å; F138-P203 WeakPolarHBondContact CA-O 3.19Å; F138-P203 HydrophobicContact CD1-CB 3.35Å; F138-P203 HydrophobicContact CD2-CB 4.44Å; F138-P203 HydrophobicContact CE1-CB 3.34Å; F138-P203 HydrophobicContact CE1-CG 4.38Å; F138-P203 HydrophobicContact CE2-CB 4.45Å; F138-P203 HydrophobicContact CG-CB 3.91Å; F138-P203 HydrophobicContact CZ-CB 3.91Å; F138-I205 HydrophobicContact CB-CD1 3.7Å; F138-I205 HydrophobicContact CB-CG1 3.82Å; F138-I205 HydrophobicContact CD1-CD1 4.35Å; F138-I205 HydrophobicContact CD1-CG1 3.81Å; F138-I205 HydrophobicContact CG-CD1 4.09Å; F138-I205 HydrophobicContact CG-CG1 4.04Å
139	Y	98.9	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	139.3	170.5	-77.7	-52.6	0	0	0	112.1	L100 W102 C180 T182 I196 P197 C198 Y200 M202 P203 I205	L100-Y139 WeakPolarHBondContact O-CE2 3.24Å; W102-Y139 HydrophobicContact CB-CD1 4.11Å; W102-Y139 HydrophobicContact CB-CD2 4.22Å; W102-Y139 HydrophobicContact CB-CE1 3.83Å; W102-Y139 HydrophobicContact CB-CE2 3.98Å; W102-Y139 HydrophobicContact CB-CG 4.3Å; W102-Y139 AromaticContact CD1-CD1 3.44Å; W102-Y139 VanDerWaalsContact CD1-CD1 3.44Å; W102-Y139 AromaticContact CD1-CE1 3.91Å; W102-Y139 AromaticContact CD1-CG 3.76Å; W102-Y139 HydrophobicContact CG-CD1 4.19Å; W102-Y139 HydrophobicContact CG-CE1 4.3Å; W102-Y139 HydrophobicContact CG-CG 4.42Å; Y139-C180 HydrophobicContact CE1-CB 4.01Å; Y139-T182 HydrophobicContact CD1-CG2 3.34Å; Y139-T182 HydrophobicContact CE1-CG2 3.72Å; Y139-T182 HydrophobicContact CG-CG2 4.06Å; Y139-I196 HydrophobicContact CD1-CD1 4.4Å; Y139-I196 HydrophobicContact CE1-CD1 3.52Å; Y139-I196 HydrophobicContact CE1-CG1 3.77Å; Y139-P197 PolarHBondContact OH-O 2.89Å; Y139-C198 PolarHBondContact OH-O 3.24Å; Y139-Y200 WeakPolarHBondContact CE2-O 3.46Å; Y139-Y200 PolarHBondContact OH-O 3.36Å; Y139-M202 HydrophobicContact CD2-CB 3.69Å; Y139-M202 HydrophobicContact CD2-CG 4.45Å; Y139-M202 HydrophobicContact CE2-CB 3.58Å; Y139-M202 HydrophobicContact CE2-CG 3.96Å; Y139-M202 HydrophobicContact CG-CB 4.27Å; Y139-P203 PolarHBondContact N-O 3.33Å; Y139-I205 PolarHBondContact O-N 2.91Å; Y139-I205 VanDerWaalsContact O-N 3.12Å
140	I	98.9	Very high	97.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	171.9	168	67.4	174.4	0	0	0	109.8	W102 V117 I119 L142 W153 V181 I183 W193	W102-I140 PolarHBondContact NE1-O 3.32Å; V117-I140 HydrophobicContact CG1-CB 3.84Å; V117-I140 HydrophobicContact CG1-CG2 3.61Å; I119-I140 HydrophobicContact CD1-CD1 4.13Å; I119-I140 HydrophobicContact CD1-CG2 4.41Å; I140-L142 HydrophobicContact CD1-CB 4.16Å; I140-L142 HydrophobicContact CG1-CB 4.13Å; I140-L142 PolarHBondContact O-N 3.42Å; I140-W153 HydrophobicContact CD1-CH2 3.91Å; I140-W153 HydrophobicContact CD1-CZ3 4.03Å; I140-W153 HydrophobicContact CG1-CZ3 4.35Å; I140-V181 HydrophobicContact CD1-CB 4.04Å; I140-V181 HydrophobicContact CD1-CG1 3.67Å; I140-V181 HydrophobicContact CG1-CB 3.84Å; I140-V181 HydrophobicContact CG1-CG1 3.97Å; I140-V181 PolarHBondContact N-O 2.98Å; I140-I183 HydrophobicContact CG2-CG1 4.39Å; I140-I183 HydrophobicContact CG2-CG2 3.77Å; I140-W193 HydrophobicContact CD1-CD2 4.24Å; I140-W193 HydrophobicContact CD1-CZ2 4.27Å
141	G	98.8	Very high	97.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	29.3	-174.8	0	0	0	0	0	115.2	L116 V117 W153 V154	L116-G141 VanDerWaalsContact CB-CA 3.45Å; V117-G141 WeakPolarHBondContact O-CA 3.13Å; V117-G141 PolarHBondContact O-N 3.17Å; G141-W153 CarbonylContact O-C 3.6Å; G141-W153 VanDerWaalsContact O-CA 3.29Å; G141-W153 WeakPolarHBondContact O-CA 3.24Å; G141-V154 WeakPolarHBondContact O-CG1 3.31Å; G141-V154 PolarHBondContact O-N 2.92Å
142	L	98.9	Very high	97.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	-177.7	-167.6	63	0	0	0	110.6	I140 W151 W153 F159 W166 V181 W193	I140-L142 HydrophobicContact CD1-CB 4.16Å; I140-L142 HydrophobicContact CG1-CB 4.13Å; I140-L142 PolarHBondContact O-N 3.42Å; L142-W151 HydrophobicContact CD1-CB 3.85Å; L142-W151 HydrophobicContact CD2-CB 4.43Å; L142-W151 HydrophobicContact CD2-CD2 4.49Å; L142-W151 HydrophobicContact CD2-CE3 4.3Å; L142-W151 HydrophobicContact CG-CB 4.2Å; L142-W151 HydrophobicContact CG-CD2 4.43Å; L142-W151 HydrophobicContact CG-CE3 3.89Å; L142-W153 HydrophobicContact CB-CD2 4.36Å; L142-W153 HydrophobicContact CB-CE3 3.8Å; L142-W153 HydrophobicContact CB-CH2 4.01Å; L142-W153 HydrophobicContact CB-CZ3 3.62Å; L142-W153 HydrophobicContact CD1-CD2 3.66Å; L142-W153 HydrophobicContact CD1-CE3 4Å; L142-W153 HydrophobicContact CD1-CG 4.03Å; L142-W153 HydrophobicContact CD1-CH2 4.44Å; L142-W153 HydrophobicContact CD1-CZ2 4.16Å; L142-W153 HydrophobicContact CD1-CZ3 4.38Å; L142-W153 HydrophobicContact CD2-CH2 4.18Å; L142-W153 HydrophobicContact CD2-CZ2 4.17Å; L142-W153 HydrophobicContact CG-CE3 4.46Å; L142-W153 HydrophobicContact CG-CH2 4.45Å; L142-W153 HydrophobicContact CG-CZ3 4.42Å; L142-F159 HydrophobicContact CD1-CD2 3.88Å; L142-F159 HydrophobicContact CD1-CE2 4.36Å; L142-F159 HydrophobicContact CD2-CD2 4.24Å; L142-F159 HydrophobicContact CD2-CE2 3.9Å; L142-W166 HydrophobicContact CD2-CZ2 4.42Å; L142-V181 HydrophobicContact CB-CB 3.97Å; L142-V181 HydrophobicContact CB-CG2 3.83Å; L142-V181 HydrophobicContact CD2-CB 4.45Å; L142-V181 HydrophobicContact CD2-CG2 3.9Å; L142-V181 HydrophobicContact CG-CG2 3.88Å; L142-V181 PolarHBondContact O-N 2.83Å; L142-V181 VanDerWaalsContact O-N 3.1Å; L142-W193 HydrophobicContact CD2-CE3 4.05Å; L142-W193 HydrophobicContact CD2-CH2 4.22Å; L142-W193 HydrophobicContact CD2-CZ3 3.62Å
143	T	98.8	Very high	97.5	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.6	178.4	-179.3	0	0	0	0	111.2	W102 Q145 Q152 D179	W102-T143 HydrophobicContact CH2-CG2 3.68Å; W102-T143 HydrophobicContact CZ2-CG2 3.83Å; W102-T143 HydrophobicContact CZ3-CG2 4.47Å; T143-Q145 HydrophobicContact CG2-CG 4.17Å; T143-Q145 WeakPolarHBondContact OG1-CB 3.06Å; T143-Q145 VanDerWaalsContact OG1-CG 3.29Å; T143-Q145 WeakPolarHBondContact OG1-CG 3.28Å; T143-Q145 PolarHBondContact OG1-N 3.48Å; T143-Q152 PolarHBondContact N-O 3.37Å; T143-Q152 VanDerWaalsContact N-O 3.08Å; T143-Q152 PolarHBondContact O-N 2.97Å; T143-D179 WeakPolarHBondContact CA-O 3.37Å; T143-D179 VanDerWaalsContact CB-O 3.27Å; T143-D179 WeakPolarHBondContact CB-O 3.36Å; T143-D179 PolarHBondContact OG1-O 3.42Å
144	D	98.5	Very high	97.7	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.274	C	S	.	.			trans	-120.9	17.1	170.6	69.5	-27.2	0	0	0	112.4	V146 A147 G149 W151 D179	D144-V146 PolarHBondContact O-N 3.14Å; D144-A147 CarbonylContact O-C 3.6Å; D144-A147 PolarHBondContact O-N 2.77Å; D144-A147 VanDerWaalsContact O-O 3.11Å; D144-G149 PolarHBondContact OD2-N 3.09Å; D144-W151 HydrophobicContact CB-CD2 3.93Å; D144-W151 HydrophobicContact CB-CE3 3.76Å; D144-W151 HydrophobicContact CB-CG 4.41Å; D144-W151 HydrophobicContact CB-CH2 4.47Å; D144-W151 HydrophobicContact CB-CZ3 4.04Å; D144-W151 WeakPolarHBondContact OD1-CZ3 3.12Å; D144-D179 PolarHBondContact N-O 2.84Å; D144-D179 VanDerWaalsContact N-O 3.13Å; D144-D179 WeakPolarHBondContact OD1-CA 3.3Å; D144-D179 WeakPolarHBondContact OD1-CB 3.08Å
145	Q	96.9	Very high	97.8	Very high	101 Å²	101	51.2 Å²	51.2	47%	0.472	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.9	-179.5	68.6	-177.5	2.2	0	0	115	T143 D179	T143-Q145 HydrophobicContact CG2-CG 4.17Å; T143-Q145 WeakPolarHBondContact OG1-CB 3.06Å; T143-Q145 VanDerWaalsContact OG1-CG 3.29Å; T143-Q145 WeakPolarHBondContact OG1-CG 3.28Å; T143-Q145 PolarHBondContact OG1-N 3.48Å; Q145-D179 HydrophobicContact CB-CB 3.87Å
146	V	96.6	Very high	97.9	Very high	103 Å²	103	49.1 Å²	49.1	62%	0.624	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-40.1	178.3	178	0	0	0	0	111	D144	D144-V146 PolarHBondContact O-N 3.14Å
147	A	97.3	Very high	98.1	Very high	42 Å²	42	47 Å²	47	35%	0.347	26%	0.255	S	S	.	.	S	Bend	trans	-156.6	112.9	-179.6	0	0	0	0	0	109.1	D144 G149 Q150	D144-A147 CarbonylContact O-C 3.6Å; D144-A147 PolarHBondContact O-N 2.77Å; D144-A147 VanDerWaalsContact O-O 3.11Å; A147-G149 PolarHBondContact O-N 3.25Å; A147-Q150 HydrophobicContact CB-CB 4.09Å; A147-Q150 HydrophobicContact CB-CG 4.08Å; A147-Q150 WeakPolarHBondContact O-CA 3.24Å; A147-Q150 VanDerWaalsContact O-CB 3.26Å; A147-Q150 WeakPolarHBondContact O-CB 3.36Å; A147-Q150 PolarHBondContact O-N 2.87Å
148	E	97.6	Very high	98.1	Very high	113 Å²	113	50.1 Å²	50.1	53%	0.528	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	127.8	179.2	178.4	62.4	-147	0	0	112.9	Q150 N173	E148-Q150 PolarHBondContact O-N 3.41Å; E148-N173 PolarHBondContact OE1-ND2 2.97Å; E148-N173 PolarHBondContact OE2-ND2 2.95Å
149	G	95.9	Very high	98	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	5.9	-178.9	0	0	0	0	0	114.6	D144 A147	D144-G149 PolarHBondContact OD2-N 3.09Å; A147-G149 PolarHBondContact O-N 3.25Å
150	Q	97.8	Very high	97.9	Very high	125 Å²	125	55 Å²	55	58%	0.584	31%	0.305	S	S	*	.			trans	-110.1	81.4	172.9	-56.1	-62.5	-78.9	0	0	109.8	A147 E148	A147-Q150 HydrophobicContact CB-CB 4.09Å; A147-Q150 HydrophobicContact CB-CG 4.08Å; A147-Q150 WeakPolarHBondContact O-CA 3.24Å; A147-Q150 VanDerWaalsContact O-CB 3.26Å; A147-Q150 WeakPolarHBondContact O-CB 3.36Å; A147-Q150 PolarHBondContact O-N 2.87Å; E148-Q150 PolarHBondContact O-N 3.41Å
151	W	98.6	Very high	97.7	Very high	22 Å²	22	61 Å²	61	8%	0.083	33%	0.333	C	S	.	.			trans	-63.8	135.3	-179.9	-62.2	103.1	0	0	0	112.8	L142 D144 F159 W166 P171 V181 D195	L142-W151 HydrophobicContact CD1-CB 3.85Å; L142-W151 HydrophobicContact CD2-CB 4.43Å; L142-W151 HydrophobicContact CD2-CD2 4.49Å; L142-W151 HydrophobicContact CD2-CE3 4.3Å; L142-W151 HydrophobicContact CG-CB 4.2Å; L142-W151 HydrophobicContact CG-CD2 4.43Å; L142-W151 HydrophobicContact CG-CE3 3.89Å; D144-W151 HydrophobicContact CB-CD2 3.93Å; D144-W151 HydrophobicContact CB-CE3 3.76Å; D144-W151 HydrophobicContact CB-CG 4.41Å; D144-W151 HydrophobicContact CB-CH2 4.47Å; D144-W151 HydrophobicContact CB-CZ3 4.04Å; D144-W151 WeakPolarHBondContact OD1-CZ3 3.12Å; W151-F159 HydrophobicContact CB-CB 4.47Å; W151-F159 HydrophobicContact CB-CD1 3.97Å; W151-F159 HydrophobicContact CB-CD2 3.79Å; W151-F159 HydrophobicContact CB-CE1 4.09Å; W151-F159 HydrophobicContact CB-CE2 3.91Å; W151-F159 HydrophobicContact CB-CG 3.81Å; W151-F159 HydrophobicContact CB-CZ 4.06Å; W151-F159 AromaticContact CD1-CZ 3.95Å; W151-F159 HydrophobicContact CG-CE1 4.39Å; W151-F159 HydrophobicContact CG-CE2 4.33Å; W151-F159 HydrophobicContact CG-CZ 4.19Å; W151-F159 VanDerWaalsContact O-CB 3.22Å; W151-F159 WeakPolarHBondContact O-CB 3.26Å; W151-W166 HydrophobicContact CD2-CH2 4.03Å; W151-W166 AromaticContact CD2-CZ2 3.83Å; W151-W166 HydrophobicContact CD2-CZ2 3.83Å; W151-W166 AromaticContact CE2-CH2 3.57Å; W151-W166 AromaticContact CE2-CZ2 3.38Å; W151-W166 HydrophobicContact CE3-CH2 4.24Å; W151-W166 HydrophobicContact CE3-CZ2 4.45Å; W151-W166 HydrophobicContact CG-CZ2 4.26Å; W151-W166 AromaticContact CH2-CH2 3.64Å; W151-W166 HydrophobicContact CH2-CH2 3.64Å; W151-W166 HydrophobicContact CH2-CZ2 4.33Å; W151-W166 AromaticContact CZ2-CH2 3.36Å; W151-W166 HydrophobicContact CZ2-CH2 3.36Å; W151-W166 AromaticContact CZ2-CZ2 3.66Å; W151-W166 HydrophobicContact CZ2-CZ2 3.66Å; W151-W166 HydrophobicContact CZ2-CZ3 4.36Å; W151-W166 HydrophobicContact CZ3-CH2 4.07Å; W151-W166 AromaticContact NE1-CZ2 3.53Å; W151-P171 HydrophobicContact CZ2-CB 3.73Å; W151-P171 HydrophobicContact CZ2-CG 3.92Å; W151-V181 HydrophobicContact CE3-CG2 3.67Å; W151-V181 HydrophobicContact CH2-CG2 3.79Å; W151-V181 HydrophobicContact CZ3-CG2 3.2Å; W151-D195 HydrophobicContact CH2-CB 3.88Å; W151-D195 HydrophobicContact CZ2-CB 4.44Å
152	Q	98.6	Very high	97.6	Very high	90 Å²	90	66 Å²	66	42%	0.421	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131	-177.6	-66.2	178.1	-9.2	0	0	110.7	T143	T143-Q152 PolarHBondContact N-O 3.37Å; T143-Q152 VanDerWaalsContact N-O 3.08Å; T143-Q152 PolarHBondContact O-N 2.97Å
153	W	98.8	Very high	97.5	Very high	14 Å²	14	68.4 Å²	68.4	5%	0.053	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	145	170.4	-67.8	111.3	0	0	0	110.7	V118 I119 I140 G141 L142 D155 D156 T157 W193	V118-W153 HydrophobicContact CB-CD2 4.4Å; V118-W153 HydrophobicContact CB-CE3 4.06Å; V118-W153 HydrophobicContact CG1-CB 4Å; V118-W153 HydrophobicContact CG1-CD2 3.73Å; V118-W153 HydrophobicContact CG1-CE3 3.9Å; V118-W153 HydrophobicContact CG1-CG 3.79Å; V118-W153 HydrophobicContact CG2-CB 4.18Å; V118-W153 HydrophobicContact CG2-CD2 4.41Å; V118-W153 HydrophobicContact CG2-CE3 3.93Å; I119-W153 HydrophobicContact CB-CH2 3.82Å; I119-W153 HydrophobicContact CB-CZ2 4.21Å; I119-W153 HydrophobicContact CG1-CH2 3.99Å; I119-W153 HydrophobicContact CG1-CZ3 4.49Å; I140-W153 HydrophobicContact CD1-CH2 3.91Å; I140-W153 HydrophobicContact CD1-CZ3 4.03Å; I140-W153 HydrophobicContact CG1-CZ3 4.35Å; G141-W153 CarbonylContact O-C 3.6Å; G141-W153 VanDerWaalsContact O-CA 3.29Å; G141-W153 WeakPolarHBondContact O-CA 3.24Å; L142-W153 HydrophobicContact CB-CD2 4.36Å; L142-W153 HydrophobicContact CB-CE3 3.8Å; L142-W153 HydrophobicContact CB-CH2 4.01Å; L142-W153 HydrophobicContact CB-CZ3 3.62Å; L142-W153 HydrophobicContact CD1-CD2 3.66Å; L142-W153 HydrophobicContact CD1-CE3 4Å; L142-W153 HydrophobicContact CD1-CG 4.03Å; L142-W153 HydrophobicContact CD1-CH2 4.44Å; L142-W153 HydrophobicContact CD1-CZ2 4.16Å; L142-W153 HydrophobicContact CD1-CZ3 4.38Å; L142-W153 HydrophobicContact CD2-CH2 4.18Å; L142-W153 HydrophobicContact CD2-CZ2 4.17Å; L142-W153 HydrophobicContact CG-CE3 4.46Å; L142-W153 HydrophobicContact CG-CH2 4.45Å; L142-W153 HydrophobicContact CG-CZ3 4.42Å; W153-D155 VanDerWaalsContact CB-OD1 3.31Å; W153-D155 WeakPolarHBondContact CB-OD1 3.42Å; W153-D155 PolarHBondContact O-N 2.98Å; W153-D156 PolarHBondContact O-N 2.91Å; W153-D156 VanDerWaalsContact O-N 3.15Å; W153-T157 VanDerWaalsContact CD1-O 3.32Å; W153-W193 AromaticContact CH2-CH2 3.86Å; W153-W193 HydrophobicContact CH2-CH2 3.86Å; W153-W193 AromaticContact CH2-CZ2 3.97Å; W153-W193 HydrophobicContact CH2-CZ2 3.97Å; W153-W193 AromaticContact CZ2-CH2 3.69Å; W153-W193 HydrophobicContact CZ2-CH2 3.69Å; W153-W193 HydrophobicContact CZ2-CZ2 4.19Å
154	V	98.6	Very high	97.4	Very high	41 Å²	41	69.5 Å²	69.5	25%	0.248	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.7	-177.8	-70.4	0	0	0	0	114.9	W102 L106 H115 L116 V118 G141	W102-V154 HydrophobicContact CH2-CG1 3.48Å; W102-V154 VanDerWaalsContact CH2-CG1 3.48Å; W102-V154 HydrophobicContact CZ2-CG1 3.41Å; W102-V154 VanDerWaalsContact CZ2-CG1 3.41Å; L106-V154 HydrophobicContact CD1-CB 4.03Å; L106-V154 HydrophobicContact CD1-CG1 3.87Å; L106-V154 HydrophobicContact CD1-CG2 4.35Å; L106-V154 HydrophobicContact CD2-CG1 4.23Å; H115-V154 HydrophobicContact CB-CG2 4.07Å; L116-V154 HydrophobicContact CB-CG2 4.32Å; L116-V154 WeakPolarHBondContact O-CG2 3.31Å; V118-V154 HydrophobicContact CG2-CG2 3.89Å; G141-V154 WeakPolarHBondContact O-CG1 3.31Å; G141-V154 PolarHBondContact O-N 2.92Å
155	D	97.6	Very high	97.4	Very high	58 Å²	58	70 Å²	70	31%	0.31	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	11.1	178.3	74.3	-26.4	0	0	0	112.9	V118 W153 T157	V118-D155 HydrophobicContact CG2-CB 4.13Å; W153-D155 VanDerWaalsContact CB-OD1 3.31Å; W153-D155 WeakPolarHBondContact CB-OD1 3.42Å; W153-D155 PolarHBondContact O-N 2.98Å; D155-T157 PolarHBondContact O-N 3.15Å; D155-T157 WeakPolarHBondContact OD1-CB 3.35Å; D155-T157 PolarHBondContact OD1-N 3.36Å; D155-T157 PolarHBondContact OD1-OG1 3.27Å; D155-T157 VanDerWaalsContact OD1-OG1 3.11Å; D155-T157 PolarHBondContact OD2-OG1 2.91Å
156	D	97.5	Very high	97.5	Very high	151 Å²	151	66.5 Å²	66.5	81%	0.807	37%	0.373	S	S	*	.			trans	64.5	12.3	-174.4	-55.6	-52.1	0	0	0	114.9	W153	W153-D156 PolarHBondContact O-N 2.91Å; W153-D156 VanDerWaalsContact O-N 3.15Å
157	T	97.8	Very high	97.6	Very high	41 Å²	41	63 Å²	63	25%	0.252	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.8	131.8	170.6	-74.5	0	0	0	0	109.8	V118 W153 D155 F159	V118-T157 HydrophobicContact CG1-CG2 4.36Å; W153-T157 VanDerWaalsContact CD1-O 3.32Å; D155-T157 PolarHBondContact O-N 3.15Å; D155-T157 WeakPolarHBondContact OD1-CB 3.35Å; D155-T157 PolarHBondContact OD1-N 3.36Å; D155-T157 PolarHBondContact OD1-OG1 3.27Å; D155-T157 VanDerWaalsContact OD1-OG1 3.11Å; D155-T157 PolarHBondContact OD2-OG1 2.91Å; T157-F159 PolarHBondContact O-N 3.34Å
158	P	97.8	Very high	97.6	Very high	105 Å²	105	64.9 Å²	64.9	68%	0.682	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-62.2	125.8	177.9	-24.8	34.6	0	0	0	112.2
159	F	98.2	Very high	97.6	Very high	44 Å²	44	62.5 Å²	62.5	19%	0.193	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.9	135.1	171.2	179.8	-100.2	0	0	0	110.7	L142 W151 T157 E161 W193	L142-F159 HydrophobicContact CD1-CD2 3.88Å; L142-F159 HydrophobicContact CD1-CE2 4.36Å; L142-F159 HydrophobicContact CD2-CD2 4.24Å; L142-F159 HydrophobicContact CD2-CE2 3.9Å; W151-F159 HydrophobicContact CB-CB 4.47Å; W151-F159 HydrophobicContact CB-CD1 3.97Å; W151-F159 HydrophobicContact CB-CD2 3.79Å; W151-F159 HydrophobicContact CB-CE1 4.09Å; W151-F159 HydrophobicContact CB-CE2 3.91Å; W151-F159 HydrophobicContact CB-CG 3.81Å; W151-F159 HydrophobicContact CB-CZ 4.06Å; W151-F159 AromaticContact CD1-CZ 3.95Å; W151-F159 HydrophobicContact CG-CE1 4.39Å; W151-F159 HydrophobicContact CG-CE2 4.33Å; W151-F159 HydrophobicContact CG-CZ 4.19Å; W151-F159 VanDerWaalsContact O-CB 3.22Å; W151-F159 WeakPolarHBondContact O-CB 3.26Å; T157-F159 PolarHBondContact O-N 3.34Å; F159-E161 HydrophobicContact CE1-CG 4.39Å; F159-E161 WeakPolarHBondContact CE1-OE1 3.4Å; F159-W193 HydrophobicContact CE2-CZ3 4.26Å
160	T	96.8	Very high	97.7	Very high	58 Å²	58	62.2 Å²	62.2	36%	0.356	36%	0.361	S	S	.	.			trans	-132.7	129.9	174.8	60.8	0	0	0	0	110.3	S162 L163	T160-S162 PolarHBondContact O-N 2.94Å; T160-S162 VanDerWaalsContact O-N 3.15Å; T160-L163 CarbonylContact O-C 3.5Å; T160-L163 PolarHBondContact O-N 2.66Å
161	E	95.4	Very high	97.8	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.5	-178.7	-68.3	-65.4	168.1	0	0	113.2	F159 L163 S164	F159-E161 HydrophobicContact CE1-CG 4.39Å; F159-E161 WeakPolarHBondContact CE1-OE1 3.4Å; E161-L163 PolarHBondContact O-N 2.84Å; E161-S164 WeakPolarHBondContact O-CB 3.05Å; E161-S164 PolarHBondContact O-N 3.47Å; E161-S164 VanDerWaalsContact O-N 3.15Å; E161-S164 PolarHBondContact O-OG 2.95Å
162	S	95.9	Very high	97.7	Very high	104 Å²	104	61 Å²	61	73%	0.727	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.7	-18	176.2	51.6	0	0	0	0	114.2	T160	T160-S162 PolarHBondContact O-N 2.94Å; T160-S162 VanDerWaalsContact O-N 3.15Å
163	L	96.6	Very high	97.7	Very high	51 Å²	51	57.7 Å²	57.7	27%	0.267	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-113.7	28	175.4	-66.1	175.1	0	0	0	111.2	N120 P122 T160 E161 F165 W193	N120-L163 WeakPolarHBondContact O-CD1 3.45Å; P122-L163 HydrophobicContact CG-CD2 3.98Å; T160-L163 CarbonylContact O-C 3.5Å; T160-L163 PolarHBondContact O-N 2.66Å; E161-L163 PolarHBondContact O-N 2.84Å; L163-F165 HydrophobicContact CD2-CZ 4.3Å; L163-F165 WeakPolarHBondContact O-CE2 3.37Å; L163-W193 VanDerWaalsContact O-CH2 3.28Å; L163-W193 WeakPolarHBondContact O-CH2 3.42Å
164	S	97.4	Very high	97.5	Very high	31 Å²	31	61.4 Å²	61.4	22%	0.217	37%	0.368	C	S	.	.			trans	-94.1	138.9	169	72.4	0	0	0	0	110.8	E161	E161-S164 WeakPolarHBondContact O-CB 3.05Å; E161-S164 PolarHBondContact O-N 3.47Å; E161-S164 VanDerWaalsContact O-N 3.15Å; E161-S164 PolarHBondContact O-OG 2.95Å
165	F	98.6	Very high	97.3	Very high	12 Å²	12	64.9 Å²	64.9	5%	0.053	39%	0.389	C	S	.	.			trans	-125.6	38.1	-175.7	-53	-67.1	0	0	0	112.5	I119 P122 Q125 L163 R190 K191 N192 W193	I119-F165 HydrophobicContact CG2-CD2 4.29Å; I119-F165 HydrophobicContact CG2-CE2 3.89Å; P122-F165 HydrophobicContact CB-CE1 4.46Å; P122-F165 HydrophobicContact CB-CZ 4.2Å; P122-F165 HydrophobicContact CG-CZ 4.25Å; Q125-F165 HydrophobicContact CB-CD2 3.69Å; Q125-F165 HydrophobicContact CB-CE2 3.58Å; Q125-F165 HydrophobicContact CB-CG 4.27Å; Q125-F165 HydrophobicContact CB-CZ 4.04Å; Q125-F165 HydrophobicContact CG-CB 4.06Å; Q125-F165 HydrophobicContact CG-CD1 4.04Å; Q125-F165 HydrophobicContact CG-CD2 3.44Å; Q125-F165 VanDerWaalsContact CG-CD2 3.44Å; Q125-F165 HydrophobicContact CG-CE1 4.36Å; Q125-F165 HydrophobicContact CG-CE2 3.84Å; Q125-F165 HydrophobicContact CG-CG 3.57Å; Q125-F165 HydrophobicContact CG-CZ 4.28Å; L163-F165 HydrophobicContact CD2-CZ 4.3Å; L163-F165 WeakPolarHBondContact O-CE2 3.37Å; F165-R190 WeakPolarHBondContact CB-O 3.3Å; F165-R190 HydrophobicContact CD1-CB 3.86Å; F165-R190 HydrophobicContact CD1-CG 4.4Å; F165-R190 HydrophobicContact CE1-CB 4.35Å; F165-R190 HydrophobicContact CE1-CG 4.46Å; F165-K191 CarbonylContact O-C 3.57Å; F165-K191 WeakPolarHBondContact O-CA 3.47Å; F165-N192 PolarHBondContact O-N 3.5Å; F165-W193 HydrophobicContact CB-CD2 3.99Å; F165-W193 HydrophobicContact CB-CG 4.17Å; F165-W193 HydrophobicContact CB-CZ2 4.18Å; F165-W193 AromaticContact CD2-CE2 3.77Å; F165-W193 AromaticContact CD2-CH2 3.98Å; F165-W193 HydrophobicContact CD2-CH2 3.98Å; F165-W193 AromaticContact CD2-CZ2 3.38Å; F165-W193 HydrophobicContact CD2-CZ2 3.38Å; F165-W193 HydrophobicContact CE2-CZ2 4.19Å; F165-W193 HydrophobicContact CG-CZ2 4.23Å; F165-W193 PolarHBondContact O-N 2.87Å
166	W	98.6	Very high	97.2	Very high	29 Å²	29	68.3 Å²	68.3	11%	0.11	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-50.3	135	174.6	-60	117	0	0	0	112.8	L142 W151 E170 P171 V181 K191 W193 D195	L142-W166 HydrophobicContact CD2-CZ2 4.42Å; W151-W166 HydrophobicContact CD2-CH2 4.03Å; W151-W166 AromaticContact CD2-CZ2 3.83Å; W151-W166 HydrophobicContact CD2-CZ2 3.83Å; W151-W166 AromaticContact CE2-CH2 3.57Å; W151-W166 AromaticContact CE2-CZ2 3.38Å; W151-W166 HydrophobicContact CE3-CH2 4.24Å; W151-W166 HydrophobicContact CE3-CZ2 4.45Å; W151-W166 HydrophobicContact CG-CZ2 4.26Å; W151-W166 AromaticContact CH2-CH2 3.64Å; W151-W166 HydrophobicContact CH2-CH2 3.64Å; W151-W166 HydrophobicContact CH2-CZ2 4.33Å; W151-W166 AromaticContact CZ2-CH2 3.36Å; W151-W166 HydrophobicContact CZ2-CH2 3.36Å; W151-W166 AromaticContact CZ2-CZ2 3.66Å; W151-W166 HydrophobicContact CZ2-CZ2 3.66Å; W151-W166 HydrophobicContact CZ2-CZ3 4.36Å; W151-W166 HydrophobicContact CZ3-CH2 4.07Å; W151-W166 AromaticContact NE1-CZ2 3.53Å; W166-E170 HydrophobicContact CB-CB 4.42Å; W166-E170 WeakPolarHBondContact CB-O 3.47Å; W166-E170 HydrophobicContact CE3-CB 4.03Å; W166-P171 HydrophobicContact CD2-CB 4.43Å; W166-P171 HydrophobicContact CD2-CG 4.2Å; W166-P171 HydrophobicContact CE3-CB 4.11Å; W166-P171 HydrophobicContact CE3-CG 4.38Å; W166-P171 HydrophobicContact CH2-CB 3.99Å; W166-P171 HydrophobicContact CH2-CG 4.24Å; W166-P171 HydrophobicContact CZ2-CB 4.33Å; W166-P171 HydrophobicContact CZ2-CG 4.06Å; W166-P171 HydrophobicContact CZ3-CB 3.87Å; W166-P171 HydrophobicContact CZ3-CG 4.39Å; W166-V181 HydrophobicContact CH2-CB 4.46Å; W166-V181 HydrophobicContact CH2-CG1 4.02Å; W166-V181 HydrophobicContact CH2-CG2 3.53Å; W166-V181 HydrophobicContact CZ3-CG1 3.84Å; W166-V181 HydrophobicContact CZ3-CG2 4.06Å; W166-K191 WeakPolarHBondContact O-CA 3.42Å; W166-W193 HydrophobicContact CD2-CB 4.22Å; W166-W193 HydrophobicContact CD2-CE3 4.15Å; W166-W193 HydrophobicContact CE3-CB 3.61Å; W166-W193 HydrophobicContact CE3-CE3 4.41Å; W166-W193 HydrophobicContact CZ2-CE3 4.24Å; W166-W193 HydrophobicContact CZ3-CB 4.01Å; W166-D195 HydrophobicContact CZ3-CB 4.32Å
167	D	98.5	Very high	97.1	Very high	30 Å²	30	63.8 Å²	63.8	16%	0.16	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70	167.3	168.9	-161.3	2.7	0	0	0	110.7	G169 E170 R184 W193	D167-G169 PolarHBondContact O-N 3.47Å; D167-G169 VanDerWaalsContact O-N 3.1Å; D167-E170 HydrophobicContact CB-CG 3.94Å; D167-E170 PolarHBondContact O-N 2.89Å; D167-R184 IonicContact OD2-CZ 3.38Å; D167-R184 VanDerWaalsContact OD2-CZ 3.23Å; D167-R184 IonicContact OD2-NE 2.77Å; D167-R184 PolarHBondContact OD2-NE 3.31Å; D167-R184 IonicContact OD2-NH2 2.68Å; D167-R184 PolarHBondContact OD2-NH2 3.39Å; D167-W193 WeakPolarHBondContact CB-O 3.15Å; D167-W193 PolarHBondContact N-O 3.26Å
168	A	97.9	Very high	97.1	Very high	80 Å²	80	62.6 Å²	62.6	66%	0.661	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	116	-179.7	0	0	0	0	0	111
169	G	97.4	Very high	97.2	Very high	64 Å²	64	59.5 Å²	59.5	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-9.4	-179.7	0	0	0	0	0	114.2	D167 N172	D167-G169 PolarHBondContact O-N 3.47Å; D167-G169 VanDerWaalsContact O-N 3.1Å; G169-N172 WeakPolarHBondContact O-CB 3.43Å
170	E	98.4	Very high	97.2	Very high	29 Å²	29	57.4 Å²	57.4	14%	0.136	35%	0.345	C	S	.	.			trans	-97.6	157.2	179.8	-44.3	-55.5	177.7	0	0	111.7	W166 D167 N172 R184 N194	W166-E170 HydrophobicContact CB-CB 4.42Å; W166-E170 WeakPolarHBondContact CB-O 3.47Å; W166-E170 HydrophobicContact CE3-CB 4.03Å; D167-E170 HydrophobicContact CB-CG 3.94Å; D167-E170 PolarHBondContact O-N 2.89Å; E170-N172 WeakPolarHBondContact OE2-CB 3.37Å; E170-N172 PolarHBondContact OE2-ND2 3.44Å; E170-R184 IonicContact OE1-CZ 3.77Å; E170-R184 IonicContact OE1-NH1 3.86Å; E170-R184 PolarHBondContact OE1-NH1 3.18Å; E170-R184 IonicContact OE1-NH2 3.76Å; E170-R184 PolarHBondContact OE1-NH2 2.83Å; E170-N194 HydrophobicContact CG-CB 4.49Å; E170-N194 PolarHBondContact OE1-OD1 2.87Å; E170-N194 VanDerWaalsContact OE1-OD1 3.09Å
171	P	97.9	Very high	97.3	Very high	56 Å²	56	54.7 Å²	54.7	36%	0.364	33%	0.328	S	S	.	.			cis	-71.8	140.6	-12	31.1	-30.4	0	0	0	111	W151 W166 D195	W151-P171 HydrophobicContact CZ2-CB 3.73Å; W151-P171 HydrophobicContact CZ2-CG 3.92Å; W166-P171 HydrophobicContact CD2-CB 4.43Å; W166-P171 HydrophobicContact CD2-CG 4.2Å; W166-P171 HydrophobicContact CE3-CB 4.11Å; W166-P171 HydrophobicContact CE3-CG 4.38Å; W166-P171 HydrophobicContact CH2-CB 3.99Å; W166-P171 HydrophobicContact CH2-CG 4.24Å; W166-P171 HydrophobicContact CZ2-CB 4.33Å; W166-P171 HydrophobicContact CZ2-CG 4.06Å; W166-P171 HydrophobicContact CZ3-CB 3.87Å; W166-P171 HydrophobicContact CZ3-CG 4.39Å; P171-D195 WeakPolarHBondContact CA-OD1 3.43Å; P171-D195 HydrophobicContact CB-CB 3.98Å; P171-D195 VanDerWaalsContact CB-CG 3.41Å; P171-D195 WeakPolarHBondContact CB-OD1 3.48Å; P171-D195 WeakPolarHBondContact CB-OD2 3.44Å
172	N	97.9	Very high	97.5	Very high	66 Å²	66	48.6 Å²	48.6	35%	0.353	30%	0.3	S	S	.	.			trans	-110.8	-11.8	-173.1	73.3	38.1	0	0	0	113.8	G169 E170 I174 E178 D195	G169-N172 WeakPolarHBondContact O-CB 3.43Å; E170-N172 WeakPolarHBondContact OE2-CB 3.37Å; E170-N172 PolarHBondContact OE2-ND2 3.44Å; N172-I174 WeakPolarHBondContact ND2-CD1 3.43Å; N172-I174 PolarHBondContact O-N 3.44Å; N172-I174 VanDerWaalsContact OD1-CD1 3.3Å; N172-I174 WeakPolarHBondContact OD1-CD1 3.4Å; N172-I174 WeakPolarHBondContact OD1-CG1 3.35Å; N172-I174 PolarHBondContact OD1-N 2.87Å; N172-E178 PolarHBondContact OD1-OE2 2.92Å; N172-D195 PolarHBondContact N-OD1 2.9Å; N172-D195 VanDerWaalsContact N-OD1 3.08Å; N172-D195 PolarHBondContact N-OD2 3.42Å; N172-D195 VanDerWaalsContact N-OD2 3.09Å
173	N	97.4	Very high	97.6	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.112	27%	0.266	C	S	.	.			trans	42	56.3	-177.5	-163.4	6.2	0	0	0	114.1	E148 V175 N176 V177 E178 D195	E148-N173 PolarHBondContact OE1-ND2 2.97Å; E148-N173 PolarHBondContact OE2-ND2 2.95Å; N173-V175 PolarHBondContact O-N 2.86Å; N173-V175 VanDerWaalsContact O-N 3.15Å; N173-N176 PolarHBondContact O-N 3.02Å; N173-N176 VanDerWaalsContact OD1-C 3.23Å; N173-N176 WeakPolarHBondContact OD1-CA 3.35Å; N173-V177 PolarHBondContact OD1-N 3.23Å; N173-E178 PolarHBondContact OD1-N 3.48Å; N173-D195 WeakPolarHBondContact CA-OD2 3.48Å; N173-D195 PolarHBondContact N-OD2 3.49Å
174	I	94.9	Very high	97.7	Very high	92 Å²	92	44 Å²	44	47%	0.472	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-53.4	126.2	-179.2	-80.1	148.9	0	0	0	109.6	N172 N176 E178	N172-I174 WeakPolarHBondContact ND2-CD1 3.43Å; N172-I174 PolarHBondContact O-N 3.44Å; N172-I174 VanDerWaalsContact OD1-CD1 3.3Å; N172-I174 WeakPolarHBondContact OD1-CD1 3.4Å; N172-I174 WeakPolarHBondContact OD1-CG1 3.35Å; N172-I174 PolarHBondContact OD1-N 2.87Å; I174-N176 PolarHBondContact O-N 2.89Å; I174-N176 VanDerWaalsContact O-N 3.09Å; I174-E178 HydrophobicContact CB-CG 4.36Å; I174-E178 WeakPolarHBondContact CB-OE2 3.35Å; I174-E178 PolarHBondContact N-OE2 3.32Å
175	V	94.4	Very high	97.6	Very high	113 Å²	113	45.8 Å²	45.8	69%	0.685	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	56	16.5	-177.8	-52.4	0	0	0	0	116	N173 V177	N173-V175 PolarHBondContact O-N 2.86Å; N173-V175 VanDerWaalsContact O-N 3.15Å; V175-V177 HydrophobicContact CG2-CG1 4.3Å; V175-V177 HydrophobicContact CG2-CG2 3.55Å
176	N	95	Very high	97.5	Very high	131 Å²	131	47.4 Å²	47.4	70%	0.701	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	62.3	44.7	179.7	-42.8	-79.2	0	0	0	114	N173 I174	N173-N176 PolarHBondContact O-N 3.02Å; N173-N176 VanDerWaalsContact OD1-C 3.23Å; N173-N176 WeakPolarHBondContact OD1-CA 3.35Å; I174-N176 PolarHBondContact O-N 2.89Å; I174-N176 VanDerWaalsContact O-N 3.09Å
177	V	96.4	Very high	97.4	Very high	55 Å²	55	50.3 Å²	50.3	33%	0.333	32%	0.322	S	S	.	.			trans	-142.4	6	-179	-55.5	0	0	0	0	113.9	N173 V175 D179 P197	N173-V177 PolarHBondContact OD1-N 3.23Å; V175-V177 HydrophobicContact CG2-CG1 4.3Å; V175-V177 HydrophobicContact CG2-CG2 3.55Å; V177-D179 PolarHBondContact O-N 3.38Å; V177-P197 HydrophobicContact CG2-CB 4.19Å; V177-P197 HydrophobicContact CG2-CG 3.98Å; V177-P197 WeakPolarHBondContact O-CA 3.3Å
178	E	98.1	Very high	97.3	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.075	33%	0.332	C	S	.	.			trans	-92.8	75.3	-173.7	-60.1	-163.6	130.2	0	0	111.8	N172 N173 I174 D195 I196 P197	N172-E178 PolarHBondContact OD1-OE2 2.92Å; N173-E178 PolarHBondContact OD1-N 3.48Å; I174-E178 HydrophobicContact CB-CG 4.36Å; I174-E178 WeakPolarHBondContact CB-OE2 3.35Å; I174-E178 PolarHBondContact N-OE2 3.32Å; E178-D195 HydrophobicContact CB-CB 4.05Å; E178-D195 WeakPolarHBondContact O-CB 3.33Å; E178-I196 CarbonylContact C-O 3.59Å; E178-I196 WeakPolarHBondContact CA-O 3.29Å; E178-P197 HydrophobicContact CG-CG 4.01Å; E178-P197 WeakPolarHBondContact OE1-CD 3.44Å
179	D	98.7	Very high	97.2	Very high	41 Å²	41	50.3 Å²	50.3	22%	0.219	31%	0.313	C	S	.	.			trans	-98.9	6.5	-168	-45.4	-25.7	0	0	0	114.1	T143 D144 Q145 V177 I196 C198	T143-D179 WeakPolarHBondContact CA-O 3.37Å; T143-D179 VanDerWaalsContact CB-O 3.27Å; T143-D179 WeakPolarHBondContact CB-O 3.36Å; T143-D179 PolarHBondContact OG1-O 3.42Å; D144-D179 PolarHBondContact N-O 2.84Å; D144-D179 VanDerWaalsContact N-O 3.13Å; D144-D179 WeakPolarHBondContact OD1-CA 3.3Å; D144-D179 WeakPolarHBondContact OD1-CB 3.08Å; Q145-D179 HydrophobicContact CB-CB 3.87Å; V177-D179 PolarHBondContact O-N 3.38Å; D179-I196 PolarHBondContact N-O 2.83Å; D179-C198 VanDerWaalsContact C-SG 3.55Å
180	C	98.9	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.9	-175	-75.3	0	0	0	0	112.4	W102 Y139 D195 I196 C198	W102-C180 HydrophobicContact CB-CB 4.1Å; W102-C180 VanDerWaalsContact CB-SG 3.57Å; W102-C180 VanDerWaalsContact CD2-SG 3.51Å; W102-C180 HydrophobicContact CG-CB 3.89Å; Y139-C180 HydrophobicContact CE1-CB 4.01Å; C180-D195 CarbonylContact O-C 3.1Å; C180-D195 WeakPolarHBondContact O-CA 3.3Å; C180-I196 PolarHBondContact N-O 2.84Å; C180-I196 VanDerWaalsContact N-O 3.17Å; C180-I196 PolarHBondContact O-N 3.34Å; C180-C198 HydrophobicContact CB-CB 3.9Å; C180-C198 WeakPolarHBondContact CB-SG 3.21Å; C180-C198 WeakPolarHBondContact SG-CB 3.46Å; C180-C198 CovalentContact SG-SG 2.03Å; C180-C198 PolarHBondContact SG-SG 3.06Å
181	V	98.9	Very high	97.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.4	-170.7	-169.9	0	0	0	0	112.5	I140 L142 W151 W166 W193 N194	I140-V181 HydrophobicContact CD1-CB 4.04Å; I140-V181 HydrophobicContact CD1-CG1 3.67Å; I140-V181 HydrophobicContact CG1-CB 3.84Å; I140-V181 HydrophobicContact CG1-CG1 3.97Å; I140-V181 PolarHBondContact N-O 2.98Å; L142-V181 HydrophobicContact CB-CB 3.97Å; L142-V181 HydrophobicContact CB-CG2 3.83Å; L142-V181 HydrophobicContact CD2-CB 4.45Å; L142-V181 HydrophobicContact CD2-CG2 3.9Å; L142-V181 HydrophobicContact CG-CG2 3.88Å; L142-V181 PolarHBondContact O-N 2.83Å; L142-V181 VanDerWaalsContact O-N 3.1Å; W151-V181 HydrophobicContact CE3-CG2 3.67Å; W151-V181 HydrophobicContact CH2-CG2 3.79Å; W151-V181 HydrophobicContact CZ3-CG2 3.2Å; W166-V181 HydrophobicContact CH2-CB 4.46Å; W166-V181 HydrophobicContact CH2-CG1 4.02Å; W166-V181 HydrophobicContact CH2-CG2 3.53Å; W166-V181 HydrophobicContact CZ3-CG1 3.84Å; W166-V181 HydrophobicContact CZ3-CG2 4.06Å; V181-W193 HydrophobicContact CG1-CB 3.87Å; V181-W193 HydrophobicContact CG1-CD2 4.34Å; V181-W193 HydrophobicContact CG1-CE3 4.45Å; V181-W193 HydrophobicContact CG1-CG 4.15Å; V181-N194 CarbonylContact C-O 3.41Å; V181-N194 WeakPolarHBondContact CA-O 3.28Å
182	T	98.9	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.9	173.4	57.5	0	0	0	0	112.2	E137 F138 Y139 W193 N194 I196 M202	E137-T182 HydrophobicContact CG-CG2 3.96Å; E137-T182 WeakPolarHBondContact CG-OG1 3.3Å; E137-T182 PolarHBondContact OE1-OG1 2.8Å; F138-T182 CarbonylContact O-C 3.51Å; F138-T182 WeakPolarHBondContact O-CA 3.36Å; F138-T182 VanDerWaalsContact O-CB 3.3Å; F138-T182 WeakPolarHBondContact O-CB 3.45Å; Y139-T182 HydrophobicContact CD1-CG2 3.34Å; Y139-T182 HydrophobicContact CE1-CG2 3.72Å; Y139-T182 HydrophobicContact CG-CG2 4.06Å; T182-W193 CarbonylContact O-C 3.47Å; T182-W193 VanDerWaalsContact O-CA 3.27Å; T182-W193 WeakPolarHBondContact O-CA 3.16Å; T182-N194 PolarHBondContact N-O 3.42Å; T182-N194 PolarHBondContact O-N 2.67Å; T182-N194 PolarHBondContact OG1-O 2.86Å; T182-I196 HydrophobicContact CG2-CD1 3.46Å; T182-I196 VanDerWaalsContact CG2-CD1 3.46Å; T182-I196 HydrophobicContact CG2-CG1 3.86Å; T182-M202 HydrophobicContact CG2-CG 4.38Å
183	I	98.8	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.8	167.7	61.1	173.7	0	0	0	111.3	L128 K132 E137 F138 I140 N192 I205	L128-I183 HydrophobicContact CB-CD1 3.94Å; K132-I183 HydrophobicContact CD-CD1 3.73Å; K132-I183 HydrophobicContact CD-CG1 3.85Å; E137-I183 VanDerWaalsContact CA-O 3.26Å; E137-I183 WeakPolarHBondContact CA-O 3.42Å; F138-I183 HydrophobicContact CB-CG1 3.99Å; F138-I183 PolarHBondContact N-O 3.25Å; F138-I183 PolarHBondContact O-N 3.23Å; I140-I183 HydrophobicContact CG2-CG1 4.39Å; I140-I183 HydrophobicContact CG2-CG2 3.77Å; I183-N192 CarbonylContact C-O 3.49Å; I183-N192 WeakPolarHBondContact CA-O 3.45Å; I183-I205 HydrophobicContact CD1-CD1 3.39Å; I183-I205 HydrophobicContact CG1-CD1 4.03Å
184	R	97.9	Very high	97.4	Very high	59 Å²	59	49.5 Å²	49.5	22%	0.223	28%	0.279	C	S	.	.			trans	-111.2	177.9	179.9	68.3	-175.8	-174.9	-157.4	-1	113.5	K132 E137 D167 E170 N192 N194	K132-R184 VanDerWaalsContact CE-C 3.47Å; K132-R184 WeakPolarHBondContact CE-O 3.3Å; K132-R184 PolarHBondContact NZ-O 2.89Å; E137-R184 HydrophobicContact CB-CB 4.3Å; E137-R184 HydrophobicContact CG-CB 4Å; D167-R184 IonicContact OD2-CZ 3.38Å; D167-R184 VanDerWaalsContact OD2-CZ 3.23Å; D167-R184 IonicContact OD2-NE 2.77Å; D167-R184 PolarHBondContact OD2-NE 3.31Å; D167-R184 IonicContact OD2-NH2 2.68Å; D167-R184 PolarHBondContact OD2-NH2 3.39Å; E170-R184 IonicContact OE1-CZ 3.77Å; E170-R184 IonicContact OE1-NH1 3.86Å; E170-R184 PolarHBondContact OE1-NH1 3.18Å; E170-R184 IonicContact OE1-NH2 3.76Å; E170-R184 PolarHBondContact OE1-NH2 2.83Å; R184-N192 PolarHBondContact N-O 3.47Å; R184-N192 WeakPolarHBondContact O-CB 3.45Å; R184-N194 HydrophobicContact CG-CB 4.47Å; R184-N194 PolarHBondContact NH1-ND2 3.42Å; R184-N194 PolarHBondContact NH1-OD1 2.89Å
185	D	97.1	Very high	97.5	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.364	26%	0.257	S	S	.	.			trans	-71	131.9	173.8	-78.3	-11.7	0	0	0	110.2	K132 K135	K132-D185 IonicContact NZ-OD1 2.65Å; K132-D185 PolarHBondContact NZ-OD1 3.21Å; K135-D185 VanDerWaalsContact CA-OD2 3.24Å; K135-D185 WeakPolarHBondContact CA-OD2 3.4Å; K135-D185 PolarHBondContact N-OD2 3.26Å
186	S	96.3	Very high	97.8	Very high	46 Å²	46	40 Å²	40	32%	0.322	23%	0.226	S	C	.	.			trans	-146.4	153.6	176.1	178.2	0	0	0	0	110.8	N188 K191	S186-N188 PolarHBondContact O-N 2.87Å; S186-N188 PolarHBondContact OG-N 3.43Å; S186-N188 VanDerWaalsContact OG-N 3.15Å; S186-N188 PolarHBondContact OG-O 3.36Å; S186-K191 WeakPolarHBondContact CB-O 3.22Å; S186-K191 PolarHBondContact OG-O 2.93Å
187	G	94.8	Very high	97.9	Very high	90 Å²	90	34 Å²	34	93%	0.928	19%	0.194	S	C	*	.	S	Bend	trans	-73.1	-13.8	171.1	0	0	0	0	0	113.5
188	N	97.1	Very high	98	Very high	69 Å²	69	32.2 Å²	32.2	37%	0.369	18%	0.183	S	C	.	.	S	Bend	trans	-119.5	119	175.1	-179.1	-18.9	0	0	0	109.4	S186 R190 K191	S186-N188 PolarHBondContact O-N 2.87Å; S186-N188 PolarHBondContact OG-N 3.43Å; S186-N188 VanDerWaalsContact OG-N 3.15Å; S186-N188 PolarHBondContact OG-O 3.36Å; N188-R190 PolarHBondContact O-N 3.32Å; N188-R190 VanDerWaalsContact O-N 3.11Å; N188-R190 PolarHBondContact OD1-N 3.46Å; N188-K191 HydrophobicContact CB-CB 4.13Å; N188-K191 PolarHBondContact O-N 3.29Å; N188-K191 VanDerWaalsContact O-N 3.08Å
189	P	96.5	Very high	98	Very high	41 Å²	41	37.9 Å²	37.9	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.3	-175.5	28.3	-35.8	0	0	0	114	Q125 E126 S129	Q125-P189 WeakPolarHBondContact CG-O 3.35Å; Q125-P189 PolarHBondContact NE2-O 2.82Å; E126-P189 HydrophobicContact CG-CB 4.16Å; E126-P189 HydrophobicContact CG-CG 4.19Å; S129-P189 WeakPolarHBondContact OG-CA 3.48Å
190	R	97.8	Very high	98	Very high	96 Å²	96	41.2 Å²	41.2	36%	0.362	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	15.4	176.8	-59.5	-171.6	-172.4	-162.2	-5	113.5	P122 E126 F165 N188	P122-R190 VanDerWaalsContact CB-CZ 3.48Å; E126-R190 HydrophobicContact CG-CG 4.18Å; E126-R190 IonicContact OE1-CZ 3.1Å; E126-R190 IonicContact OE1-NE 2.82Å; E126-R190 PolarHBondContact OE1-NE 2.91Å; E126-R190 IonicContact OE1-NH2 2.71Å; E126-R190 PolarHBondContact OE1-NH2 2.86Å; F165-R190 WeakPolarHBondContact CB-O 3.3Å; F165-R190 HydrophobicContact CD1-CB 3.86Å; F165-R190 HydrophobicContact CD1-CG 4.4Å; F165-R190 HydrophobicContact CE1-CB 4.35Å; F165-R190 HydrophobicContact CE1-CG 4.46Å; N188-R190 PolarHBondContact O-N 3.32Å; N188-R190 VanDerWaalsContact O-N 3.11Å; N188-R190 PolarHBondContact OD1-N 3.46Å
191	K	98.1	Very high	98	Very high	109 Å²	109	44.7 Å²	44.7	47%	0.474	24%	0.242	S	C	.	.	S	Bend	trans	-142.7	76.4	175.6	-67.8	-165	172.5	-160.8	0	109.9	F165 W166 S186 N188	F165-K191 CarbonylContact O-C 3.57Å; F165-K191 WeakPolarHBondContact O-CA 3.47Å; W166-K191 WeakPolarHBondContact O-CA 3.42Å; S186-K191 WeakPolarHBondContact CB-O 3.22Å; S186-K191 PolarHBondContact OG-O 2.93Å; N188-K191 HydrophobicContact CB-CB 4.13Å; N188-K191 PolarHBondContact O-N 3.29Å; N188-K191 VanDerWaalsContact O-N 3.08Å
192	N	98.5	Very high	98	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.			trans	-150.2	10.1	-174.3	73.4	-12.8	0	0	0	113.8	Q125 S129 F165 I183 R184	Q125-N192 VanDerWaalsContact NE2-CG 3.32Å; Q125-N192 PolarHBondContact NE2-ND2 2.82Å; Q125-N192 PolarHBondContact NE2-OD1 3.39Å; S129-N192 PolarHBondContact OG-ND2 3.37Å; F165-N192 PolarHBondContact O-N 3.5Å; I183-N192 CarbonylContact C-O 3.49Å; I183-N192 WeakPolarHBondContact CA-O 3.45Å; R184-N192 PolarHBondContact N-O 3.47Å; R184-N192 WeakPolarHBondContact O-CB 3.45Å
193	W	98.8	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.5	172	-62.5	2.7	0	0	0	110.5	I119 I140 L142 W153 F159 L163 F165 W166 D167 V181 T182	I119-W193 HydrophobicContact CB-CZ2 4.12Å; I119-W193 HydrophobicContact CD1-CZ2 3.79Å; I119-W193 HydrophobicContact CG1-CZ2 4.42Å; I119-W193 HydrophobicContact CG2-CZ2 4.37Å; I140-W193 HydrophobicContact CD1-CD2 4.24Å; I140-W193 HydrophobicContact CD1-CZ2 4.27Å; L142-W193 HydrophobicContact CD2-CE3 4.05Å; L142-W193 HydrophobicContact CD2-CH2 4.22Å; L142-W193 HydrophobicContact CD2-CZ3 3.62Å; W153-W193 AromaticContact CH2-CH2 3.86Å; W153-W193 HydrophobicContact CH2-CH2 3.86Å; W153-W193 AromaticContact CH2-CZ2 3.97Å; W153-W193 HydrophobicContact CH2-CZ2 3.97Å; W153-W193 AromaticContact CZ2-CH2 3.69Å; W153-W193 HydrophobicContact CZ2-CH2 3.69Å; W153-W193 HydrophobicContact CZ2-CZ2 4.19Å; F159-W193 HydrophobicContact CE2-CZ3 4.26Å; L163-W193 VanDerWaalsContact O-CH2 3.28Å; L163-W193 WeakPolarHBondContact O-CH2 3.42Å; F165-W193 HydrophobicContact CB-CD2 3.99Å; F165-W193 HydrophobicContact CB-CG 4.17Å; F165-W193 HydrophobicContact CB-CZ2 4.18Å; F165-W193 AromaticContact CD2-CE2 3.77Å; F165-W193 AromaticContact CD2-CH2 3.98Å; F165-W193 HydrophobicContact CD2-CH2 3.98Å; F165-W193 AromaticContact CD2-CZ2 3.38Å; F165-W193 HydrophobicContact CD2-CZ2 3.38Å; F165-W193 HydrophobicContact CE2-CZ2 4.19Å; F165-W193 HydrophobicContact CG-CZ2 4.23Å; F165-W193 PolarHBondContact O-N 2.87Å; W166-W193 HydrophobicContact CD2-CB 4.22Å; W166-W193 HydrophobicContact CD2-CE3 4.15Å; W166-W193 HydrophobicContact CE3-CB 3.61Å; W166-W193 HydrophobicContact CE3-CE3 4.41Å; W166-W193 HydrophobicContact CZ2-CE3 4.24Å; W166-W193 HydrophobicContact CZ3-CB 4.01Å; D167-W193 WeakPolarHBondContact CB-O 3.15Å; D167-W193 PolarHBondContact N-O 3.26Å; V181-W193 HydrophobicContact CG1-CB 3.87Å; V181-W193 HydrophobicContact CG1-CD2 4.34Å; V181-W193 HydrophobicContact CG1-CE3 4.45Å; V181-W193 HydrophobicContact CG1-CG 4.15Å; T182-W193 CarbonylContact O-C 3.47Å; T182-W193 VanDerWaalsContact O-CA 3.27Å; T182-W193 WeakPolarHBondContact O-CA 3.16Å
194	N	98.8	Very high	98	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.3	178.5	-179.3	47.3	0	0	0	108.5	E137 E170 V181 T182 R184 I196	E137-N194 WeakPolarHBondContact OE1-CB 3.42Å; E137-N194 PolarHBondContact OE1-ND2 3.46Å; E170-N194 HydrophobicContact CG-CB 4.49Å; E170-N194 PolarHBondContact OE1-OD1 2.87Å; E170-N194 VanDerWaalsContact OE1-OD1 3.09Å; V181-N194 CarbonylContact C-O 3.41Å; V181-N194 WeakPolarHBondContact CA-O 3.28Å; T182-N194 PolarHBondContact N-O 3.42Å; T182-N194 PolarHBondContact O-N 2.67Å; T182-N194 PolarHBondContact OG1-O 2.86Å; R184-N194 HydrophobicContact CG-CB 4.47Å; R184-N194 PolarHBondContact NH1-ND2 3.42Å; R184-N194 PolarHBondContact NH1-OD1 2.89Å; N194-I196 WeakPolarHBondContact ND2-CG2 3.26Å
195	D	98.8	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.1	168	58	-40	0	0	0	109.7	W151 W166 P171 N172 N173 E178 C180	W151-D195 HydrophobicContact CH2-CB 3.88Å; W151-D195 HydrophobicContact CZ2-CB 4.44Å; W166-D195 HydrophobicContact CZ3-CB 4.32Å; P171-D195 WeakPolarHBondContact CA-OD1 3.43Å; P171-D195 HydrophobicContact CB-CB 3.98Å; P171-D195 VanDerWaalsContact CB-CG 3.41Å; P171-D195 WeakPolarHBondContact CB-OD1 3.48Å; P171-D195 WeakPolarHBondContact CB-OD2 3.44Å; N172-D195 PolarHBondContact N-OD1 2.9Å; N172-D195 VanDerWaalsContact N-OD1 3.08Å; N172-D195 PolarHBondContact N-OD2 3.42Å; N172-D195 VanDerWaalsContact N-OD2 3.09Å; N173-D195 WeakPolarHBondContact CA-OD2 3.48Å; N173-D195 PolarHBondContact N-OD2 3.49Å; E178-D195 HydrophobicContact CB-CB 4.05Å; E178-D195 WeakPolarHBondContact O-CB 3.33Å; C180-D195 CarbonylContact O-C 3.1Å; C180-D195 WeakPolarHBondContact O-CA 3.3Å
196	I	98.7	Very high	98.1	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.5	177.4	64.2	166.4	0	0	0	110.4	Y139 E178 D179 C180 T182 N194 C198 Y200 M202	Y139-I196 HydrophobicContact CD1-CD1 4.4Å; Y139-I196 HydrophobicContact CE1-CD1 3.52Å; Y139-I196 HydrophobicContact CE1-CG1 3.77Å; E178-I196 CarbonylContact C-O 3.59Å; E178-I196 WeakPolarHBondContact CA-O 3.29Å; D179-I196 PolarHBondContact N-O 2.83Å; C180-I196 PolarHBondContact N-O 2.84Å; C180-I196 VanDerWaalsContact N-O 3.17Å; C180-I196 PolarHBondContact O-N 3.34Å; T182-I196 HydrophobicContact CG2-CD1 3.46Å; T182-I196 VanDerWaalsContact CG2-CD1 3.46Å; T182-I196 HydrophobicContact CG2-CG1 3.86Å; N194-I196 WeakPolarHBondContact ND2-CG2 3.26Å; I196-C198 PolarHBondContact O-N 2.91Å; I196-Y200 HydrophobicContact CB-CD2 4.48Å; I196-Y200 HydrophobicContact CD1-CD2 4.47Å; I196-M202 HydrophobicContact CD1-CE 3.6Å; I196-M202 HydrophobicContact CD1-CG 3.56Å; I196-M202 HydrophobicContact CD1-SD 4.47Å
197	P	98.7	Very high	98.3	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.026	21%	0.214	C	C	.	.			trans	-65.3	126.5	175.5	-14.3	28.4	0	0	0	110.9	Y139 V177 E178 F199 Y200	Y139-P197 PolarHBondContact OH-O 2.89Å; V177-P197 HydrophobicContact CG2-CB 4.19Å; V177-P197 HydrophobicContact CG2-CG 3.98Å; V177-P197 WeakPolarHBondContact O-CA 3.3Å; E178-P197 HydrophobicContact CG-CG 4.01Å; E178-P197 WeakPolarHBondContact OE1-CD 3.44Å; P197-F199 HydrophobicContact CB-CD1 3.86Å; P197-F199 HydrophobicContact CB-CD2 4.43Å; P197-F199 HydrophobicContact CB-CE1 3.35Å; P197-F199 HydrophobicContact CB-CE2 3.99Å; P197-F199 HydrophobicContact CB-CG 4.37Å; P197-F199 HydrophobicContact CB-CZ 3.41Å; P197-F199 VanDerWaalsContact CB-CZ 3.41Å; P197-F199 HydrophobicContact CG-CE1 4.45Å; P197-F199 HydrophobicContact CG-CZ 4.13Å; P197-F199 PolarHBondContact O-N 2.88Å; P197-Y200 HydrophobicContact CB-CD1 4.42Å; P197-Y200 HydrophobicContact CB-CE1 4.49Å; P197-Y200 HydrophobicContact CG-CD1 4.48Å; P197-Y200 HydrophobicContact CG-CD2 4.29Å; P197-Y200 HydrophobicContact CG-CE1 4.2Å; P197-Y200 HydrophobicContact CG-CE2 3.96Å; P197-Y200 WeakPolarHBondContact O-CB 3.23Å; P197-Y200 PolarHBondContact O-N 3.27Å
198	C	98.7	Very high	98.4	Very high	17 Å²	17	36.3 Å²	36.3	12%	0.115	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20	-175.7	-61.1	0	0	0	0	115.1	W102 Y139 D179 C180 I196	W102-C198 HydrophobicContact CB-CB 4.21Å; W102-C198 PolarHBondContact N-O 2.78Å; Y139-C198 PolarHBondContact OH-O 3.24Å; D179-C198 VanDerWaalsContact C-SG 3.55Å; C180-C198 HydrophobicContact CB-CB 3.9Å; C180-C198 WeakPolarHBondContact CB-SG 3.21Å; C180-C198 WeakPolarHBondContact SG-CB 3.46Å; C180-C198 CovalentContact SG-SG 2.03Å; C180-C198 PolarHBondContact SG-SG 3.06Å; I196-C198 PolarHBondContact O-N 2.91Å
199	F	98.3	Very high	98.3	Very high	135 Å²	135	37.2 Å²	37.2	59%	0.592	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.5	178.6	58.4	-98.5	0	0	0	113.8	T101 P197	T101-F199 WeakPolarHBondContact CG2-O 3.27Å; P197-F199 HydrophobicContact CB-CD1 3.86Å; P197-F199 HydrophobicContact CB-CD2 4.43Å; P197-F199 HydrophobicContact CB-CE1 3.35Å; P197-F199 HydrophobicContact CB-CE2 3.99Å; P197-F199 HydrophobicContact CB-CG 4.37Å; P197-F199 HydrophobicContact CB-CZ 3.41Å; P197-F199 VanDerWaalsContact CB-CZ 3.41Å; P197-F199 HydrophobicContact CG-CE1 4.45Å; P197-F199 HydrophobicContact CG-CZ 4.13Å; P197-F199 PolarHBondContact O-N 2.88Å
200	Y	98.4	Very high	98.2	Very high	112 Å²	112	36.4 Å²	36.4	44%	0.439	18%	0.178	S	C	.	.	S	Bend	trans	-67.6	143	171	-78.4	2.2	0	0	0	111.1	T101 Y139 I196 P197 M202	T101-Y200 WeakPolarHBondContact CA-O 3.37Å; Y139-Y200 WeakPolarHBondContact CE2-O 3.46Å; Y139-Y200 PolarHBondContact OH-O 3.36Å; I196-Y200 HydrophobicContact CB-CD2 4.48Å; I196-Y200 HydrophobicContact CD1-CD2 4.47Å; P197-Y200 HydrophobicContact CB-CD1 4.42Å; P197-Y200 HydrophobicContact CB-CE1 4.49Å; P197-Y200 HydrophobicContact CG-CD1 4.48Å; P197-Y200 HydrophobicContact CG-CD2 4.29Å; P197-Y200 HydrophobicContact CG-CE1 4.2Å; P197-Y200 HydrophobicContact CG-CE2 3.96Å; P197-Y200 WeakPolarHBondContact O-CB 3.23Å; P197-Y200 PolarHBondContact O-N 3.27Å; Y200-M202 HydrophobicContact CD2-CE 4.3Å; Y200-M202 PolarHBondContact O-N 3.34Å
201	S	98.6	Very high	97.8	Very high	72 Å²	72	34.9 Å²	34.9	50%	0.503	18%	0.177	S	C	.	.			trans	-89.2	105.9	177.1	-64.9	0	0	0	0	109.9	L100	L100-S201 CarbonylContact O-C 3.48Å; L100-S201 WeakPolarHBondContact O-CA 3.39Å
202	M	98.6	Very high	97.1	Very high	36 Å²	36	30.6 Å²	30.6	18%	0.177	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-120.5	157	177.7	-61.7	-59	-167.7	0	0	111.2	T99 L100 Y139 T182 I196 Y200	T99-M202 VanDerWaalsContact CA-O 3.28Å; T99-M202 WeakPolarHBondContact CA-O 3.41Å; L100-M202 PolarHBondContact N-O 2.68Å; L100-M202 PolarHBondContact O-N 3.12Å; L100-M202 VanDerWaalsContact O-O 3.13Å; Y139-M202 HydrophobicContact CD2-CB 3.69Å; Y139-M202 HydrophobicContact CD2-CG 4.45Å; Y139-M202 HydrophobicContact CE2-CB 3.58Å; Y139-M202 HydrophobicContact CE2-CG 3.96Å; Y139-M202 HydrophobicContact CG-CB 4.27Å; T182-M202 HydrophobicContact CG2-CG 4.38Å; I196-M202 HydrophobicContact CD1-CE 3.6Å; I196-M202 HydrophobicContact CD1-CG 3.56Å; I196-M202 HydrophobicContact CD1-SD 4.47Å; Y200-M202 HydrophobicContact CD2-CE 4.3Å; Y200-M202 PolarHBondContact O-N 3.34Å
203	P	98.8	Very high	95.6	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.071	19%	0.188	C	C	.	.			trans	-52.1	161.2	155.4	-22.1	33	0	0	0	111.4	S96 T98 T99 K136 E137 F138 Y139	S96-P203 WeakPolarHBondContact OG-CA 3.05Å; T98-P203 WeakPolarHBondContact O-CA 3.45Å; T99-P203 HydrophobicContact CG2-CG 4.01Å; K136-P203 HydrophobicContact CD-CG 4.32Å; E137-P203 VanDerWaalsContact O-CD 3.24Å; E137-P203 WeakPolarHBondContact O-CD 3.47Å; F138-P203 CarbonylContact C-O 3.6Å; F138-P203 VanDerWaalsContact CA-O 3.28Å; F138-P203 WeakPolarHBondContact CA-O 3.19Å; F138-P203 HydrophobicContact CD1-CB 3.35Å; F138-P203 HydrophobicContact CD2-CB 4.44Å; F138-P203 HydrophobicContact CE1-CB 3.34Å; F138-P203 HydrophobicContact CE1-CG 4.38Å; F138-P203 HydrophobicContact CE2-CB 4.45Å; F138-P203 HydrophobicContact CG-CB 3.91Å; F138-P203 HydrophobicContact CZ-CB 3.91Å; Y139-P203 PolarHBondContact N-O 3.33Å
204	W	98.9	Very high	93.9	Very high	6 Å²	6	40.8 Å²	40.8	2%	0.023	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-145.9	162.1	-179.1	69	96.7	0	0	0	111	S96 T98 L100 N108 C109 L116 C206	S96-W204 VanDerWaalsContact CB-CD2 3.47Å; S96-W204 VanDerWaalsContact CB-CE2 3.46Å; S96-W204 PolarHBondContact N-O 3.49Å; S96-W204 VanDerWaalsContact OG-CD2 3.32Å; S96-W204 VanDerWaalsContact OG-CZ3 3.3Å; S96-W204 WeakPolarHBondContact OG-CZ3 3.42Å; S96-W204 PolarHBondContact OG-N 2.95Å; S96-W204 PolarHBondContact OG-O 3.31Å; T98-W204 WeakPolarHBondContact O-CZ3 3.3Å; T98-W204 VanDerWaalsContact OG1-CH2 3.29Å; T98-W204 WeakPolarHBondContact OG1-CH2 3.31Å; L100-W204 HydrophobicContact CB-CE3 3.94Å; L100-W204 HydrophobicContact CB-CH2 4.38Å; L100-W204 HydrophobicContact CB-CZ3 3.75Å; L100-W204 HydrophobicContact CD1-CE3 4.26Å; L100-W204 HydrophobicContact CD1-CH2 3.43Å; L100-W204 VanDerWaalsContact CD1-CH2 3.43Å; L100-W204 HydrophobicContact CD1-CZ2 3.79Å; L100-W204 HydrophobicContact CD1-CZ3 3.69Å; L100-W204 HydrophobicContact CG-CE3 4.18Å; L100-W204 HydrophobicContact CG-CH2 3.71Å; L100-W204 HydrophobicContact CG-CZ3 3.51Å; N108-W204 HydrophobicContact CB-CZ2 4.33Å; N108-W204 VanDerWaalsContact OD1-CZ2 3.24Å; N108-W204 WeakPolarHBondContact OD1-CZ2 3.26Å; C109-W204 VanDerWaalsContact SG-CD1 3.57Å; L116-W204 HydrophobicContact CD2-CB 3.76Å; L116-W204 HydrophobicContact CD2-CG 4.2Å; W204-C206 PolarHBondContact NE1-SG 3.34Å; W204-C206 VanDerWaalsContact NE1-SG 3.38Å
205	I	98.9	Very high	91.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.6	177.8	-58.9	162.7	0	0	0	108.5	Y93 F94 F95 L116 V117 L128 F138 Y139 I183	Y93-I205 HydrophobicContact CD1-CG2 4.48Å; F94-I205 CarbonylContact O-C 3.48Å; F94-I205 VanDerWaalsContact O-CA 3.24Å; F94-I205 WeakPolarHBondContact O-CA 3.36Å; F95-I205 HydrophobicContact CD1-CD1 3.85Å; F95-I205 HydrophobicContact CD1-CG1 3.65Å; F95-I205 HydrophobicContact CE1-CD1 3.54Å; F95-I205 HydrophobicContact CE1-CG1 3.81Å; F95-I205 HydrophobicContact CE1-CG2 4.39Å; F95-I205 HydrophobicContact CG-CG1 4.43Å; F95-I205 HydrophobicContact CZ-CD1 4.46Å; L116-I205 WeakPolarHBondContact CA-O 3.21Å; V117-I205 HydrophobicContact CB-CB 4.25Å; V117-I205 HydrophobicContact CB-CG2 3.88Å; V117-I205 HydrophobicContact CG1-CB 3.74Å; V117-I205 HydrophobicContact CG1-CG2 3.83Å; V117-I205 HydrophobicContact CG2-CG2 4.47Å; V117-I205 PolarHBondContact N-O 2.97Å; L128-I205 HydrophobicContact CD2-CD1 4.43Å; L128-I205 HydrophobicContact CD2-CG2 4.23Å; F138-I205 HydrophobicContact CB-CD1 3.7Å; F138-I205 HydrophobicContact CB-CG1 3.82Å; F138-I205 HydrophobicContact CD1-CD1 4.35Å; F138-I205 HydrophobicContact CD1-CG1 3.81Å; F138-I205 HydrophobicContact CG-CD1 4.09Å; F138-I205 HydrophobicContact CG-CG1 4.04Å; Y139-I205 PolarHBondContact O-N 2.91Å; Y139-I205 VanDerWaalsContact O-N 3.12Å; I183-I205 HydrophobicContact CD1-CD1 3.39Å; I183-I205 HydrophobicContact CG1-CD1 4.03Å
206	C	98.9	Very high	91.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.3	169.8	-52.7	0	0	0	0	110.7	W85 Y93 F94 C109 M112 A114 H115 W204	W85-C206 HydrophobicContact CH2-CB 3.96Å; W85-C206 HydrophobicContact CZ3-CB 4.29Å; Y93-C206 CarbonylContact C-O 3.09Å; Y93-C206 WeakPolarHBondContact CA-O 3.45Å; F94-C206 HydrophobicContact CB-CB 4.17Å; F94-C206 PolarHBondContact N-O 3.25Å; F94-C206 PolarHBondContact O-N 2.95Å; C109-C206 WeakPolarHBondContact CA-SG 3.29Å; C109-C206 HydrophobicContact CB-CB 3.72Å; C109-C206 WeakPolarHBondContact CB-SG 3.43Å; C109-C206 VanDerWaalsContact SG-CA 3.51Å; C109-C206 WeakPolarHBondContact SG-CB 3.46Å; C109-C206 CovalentContact SG-SG 2.03Å; C109-C206 PolarHBondContact SG-SG 2.91Å; M112-C206 HydrophobicContact CE-CB 4.1Å; M112-C206 WeakPolarHBondContact CE-SG 3.49Å; A114-C206 HydrophobicContact CB-CB 4.03Å; H115-C206 CarbonylContact O-C 3.56Å; H115-C206 WeakPolarHBondContact O-CA 3.4Å; W204-C206 PolarHBondContact NE1-SG 3.34Å; W204-C206 VanDerWaalsContact NE1-SG 3.38Å
207	E	98.8	Very high	91.1	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.4	175.7	-172.9	-169.7	179.5	0	0	110.3	S91 C92 Y93 A114 H115 V117 V118	S91-E207 WeakPolarHBondContact CB-OE1 3.46Å; S91-E207 PolarHBondContact OG-OE1 3.35Å; C92-E207 WeakPolarHBondContact O-CA 3.21Å; Y93-E207 HydrophobicContact CD1-CB 4.36Å; Y93-E207 HydrophobicContact CD1-CG 4.17Å; Y93-E207 HydrophobicContact CE1-CB 4.39Å; Y93-E207 HydrophobicContact CE1-CG 3.84Å; A114-E207 VanDerWaalsContact CA-O 3.31Å; A114-E207 WeakPolarHBondContact CA-O 3.29Å; A114-E207 WeakPolarHBondContact CB-O 3.29Å; H115-E207 IonicContact CE1-OE2 3.81Å; H115-E207 PolarHBondContact CE1-OE2 3.09Å; H115-E207 PolarHBondContact N-O 3.45Å; H115-E207 PolarHBondContact O-N 2.8Å; V117-E207 HydrophobicContact CB-CB 4.06Å; V117-E207 HydrophobicContact CG2-CB 4.06Å; V118-E207 PolarHBondContact N-OE2 2.87Å
208	M	97.5	Very high	90.7	Very high	26 Å²	26	57.5 Å²	57.5	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157	166.7	65.4	-177.3	-57.8	0	0	110.3	P82 W85 S91 C92 A114 I211	P82-M208 HydrophobicContact CG-SD 3.91Å; W85-M208 HydrophobicContact CE3-CG 4.17Å; W85-M208 HydrophobicContact CE3-SD 4.38Å; W85-M208 HydrophobicContact CH2-CG 4.3Å; W85-M208 HydrophobicContact CH2-SD 4.05Å; W85-M208 HydrophobicContact CZ3-CB 4.45Å; W85-M208 HydrophobicContact CZ3-CG 3.69Å; W85-M208 HydrophobicContact CZ3-SD 3.95Å; S91-M208 CarbonylContact C-O 3.55Å; S91-M208 WeakPolarHBondContact CA-O 3.26Å; C92-M208 HydrophobicContact CB-CG 3.85Å; C92-M208 PolarHBondContact N-O 2.9Å; C92-M208 PolarHBondContact O-N 3.18Å; A114-M208 HydrophobicContact CB-CB 3.95Å; M208-I211 HydrophobicContact CE-CD1 4.32Å; M208-I211 HydrophobicContact CE-CG1 4.38Å
209	P	96.3	Very high	90.2	Very high	88 Å²	88	59.9 Å²	59.9	57%	0.571	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	150.8	171.8	-23.3	34	0	0	0	112.5
210	E	93.9	Very high	89.7	Confident	24 Å²	24	55.2 Å²	55.2	11%	0.112	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-57.8	140.3	167.5	-74.8	-174.8	145.1	0	0	110.7	Y70 N79 H87 S90	Y70-E210 WeakPolarHBondContact CE1-OE1 3.44Å; Y70-E210 PolarHBondContact OH-OE1 3.33Å; Y70-E210 PolarHBondContact OH-OE2 3.22Å; N79-E210 HydrophobicContact CB-CB 4.36Å; N79-E210 WeakPolarHBondContact CB-OE2 3.46Å; N79-E210 PolarHBondContact ND2-OE2 3.42Å; H87-E210 IonicContact CE1-OE1 2.65Å; H87-E210 IonicContact CG-OE1 2.82Å; H87-E210 IonicContact ND1-OE1 3.23Å; H87-E210 PolarHBondContact ND1-OE1 3.08Å; S90-E210 PolarHBondContact O-N 3.06Å
211	I	90	Very high	89.1	Confident	65 Å²	65	51.4 Å²	51.4	33%	0.333	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-86.4	118.5	178.9	-58.9	163.7	0	0	0	108.3	L67 C80 M208	L67-I211 HydrophobicContact CD2-CD1 3.77Å; C80-I211 HydrophobicContact CB-CB 4.28Å; C80-I211 WeakPolarHBondContact CB-O 3.47Å; C80-I211 PolarHBondContact N-O 3.47Å; C80-I211 PolarHBondContact O-N 3.29Å; M208-I211 HydrophobicContact CE-CD1 4.32Å; M208-I211 HydrophobicContact CE-CG1 4.38Å
212	S	82.9	Confident	88.5	Confident	19 Å²	19	49.9 Å²	49.9	13%	0.133	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-97.6	121	167.3	169.6	0	0	0	0	109	L214 D215	S212-L214 PolarHBondContact O-N 3.05Å; S212-L214 PolarHBondContact OG-N 3.21Å; S212-D215 VanDerWaalsContact CB-OD2 3.28Å; S212-D215 WeakPolarHBondContact CB-OD2 3.36Å; S212-D215 PolarHBondContact O-N 3.43Å
213	P	66	Low	87.7	Confident	88 Å²	88	51 Å²	51	57%	0.571	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	4.2	177.6	-22.8	32.8	0	0	0	115.6	K78	K78-P213 HydrophobicContact CB-CG 4.36Å; K78-P213 WeakPolarHBondContact O-CD 3.18Å
214	L	63.6	Low	86.8	Confident	125 Å²	125	54.3 Å²	54.3	65%	0.654	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.3	-179.3	-66.2	173	0	0	0	113.4	V77 S212	V77-L214 HydrophobicContact CG2-CD1 4.19Å; S212-L214 PolarHBondContact O-N 3.05Å; S212-L214 PolarHBondContact OG-N 3.21Å
215	D	55.5	Low	85.7	Confident	203 Å²	203	58.7 Å²	58.7	100%	1.086	33%	0.33	S	S	*	.			trans	-101.8	0	178.4	-62.7	-39.4	0	0	0	113	S212	S212-D215 VanDerWaalsContact CB-OD2 3.28Å; S212-D215 WeakPolarHBondContact CB-OD2 3.36Å; S212-D215 PolarHBondContact O-N 3.43Å

Retrieved 215 of 215 residues in 69.9 ms (Link to these results)

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