A0A077ZDM3_TRITR Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A077ZDM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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	40.8	Very low	37.8	Very low	232 Å²	232	155.1 Å²	155.1	100%	1.143	84%	0.835	S	S	*	*				0	86.6	0	-60.5	-174.6	-134.4	0	0	106
2	I	40.8	Very low	37.8	Very low	170 Å²	170	158.8 Å²	158.8	87%	0.872	84%	0.843	S	S	*	*				55.9	118.7	85.8	-54.4	174.1	0	0	0	109.3
3	A	40	Very low	37.8	Very low	90 Å²	90	161.7 Å²	161.7	74%	0.744	85%	0.849	S	S	*	*			cis	-151.7	150.4	23.2	0	0	0	0	0	112.4
4	Q	33.7	Very low	37.8	Very low	176 Å²	176	162.9 Å²	162.9	82%	0.822	85%	0.847	S	S	*	*			trans	-79.5	143.7	152.4	-69.4	174.2	-45.2	0	0	109.1
5	L	40.4	Very low	37.6	Very low	181 Å²	181	160.6 Å²	160.6	95%	0.948	84%	0.843	S	S	*	*			trans	-145.5	127.7	147.3	-83	179.8	0	0	0	109.5
6	S	33.4	Very low	37.6	Very low	90 Å²	90	160.8 Å²	160.8	63%	0.629	85%	0.845	S	S	*	*			trans	-110.4	161.2	-176.6	-48.3	0	0	0	0	110.7
7	I	36.4	Very low	37.5	Very low	147 Å²	147	162.1 Å²	162.1	75%	0.754	84%	0.842	S	S	*	*			trans	76.9	117.5	153.4	-52.6	150.5	0	0	0	116.5
8	H	38.8	Very low	37.3	Very low	191 Å²	191	160.1 Å²	160.1	88%	0.884	84%	0.841	S	S	*	*				-167	118.4	122	-99.5	37.5	0	0	0	110.6
9	S	33	Very low	37.2	Very low	107 Å²	107	161.6 Å²	161.6	75%	0.748	84%	0.843	S	S	*	*			trans	-117.3	165.4	150	-160	0	0	0	0	104.5
10	P	38	Very low	37.2	Very low	111 Å²	111	162.2 Å²	162.2	72%	0.721	85%	0.846	S	S	*	*			cis	-137.2	178.3	9.2	40.4	-22.1	0	0	0	113.7
11	K	40.2	Very low	37.2	Very low	211 Å²	211	158.4 Å²	158.4	92%	0.917	83%	0.834	S	S	*	*			trans	-150.6	131.8	144.6	-79	-159	178	175.4	0	111.1
12	E	38.4	Very low	37.3	Very low	199 Å²	199	151 Å²	151	93%	0.93	81%	0.81	S	S	*	*			trans	-63.3	143.6	173.6	-61.1	169.5	141.3	0	0	111.2
13	E	37.1	Very low	37.5	Very low	197 Å²	197	149 Å²	149	92%	0.921	81%	0.807	S	S	*	*			trans	-123.5	138.1	166.2	-163.5	166.1	-165.9	0	0	110.1
14	H	37.8	Very low	37.9	Very low	179 Å²	179	151.7 Å²	151.7	83%	0.829	80%	0.803	S	S	*	*			trans	-61.7	138.9	-159.4	-94.3	-78.2	0	0	0	115.3	D16	H14-D16 PolarHBondContact O-N 3.47Å
15	T	35.5	Very low	38.8	Very low	128 Å²	128	149.5 Å²	149.5	79%	0.785	80%	0.797	S	S	*	*			trans	-65.8	116.2	157.8	44.9	0	0	0	0	111.2
16	D	37.2	Very low	39.6	Very low	163 Å²	163	144.3 Å²	144.3	87%	0.872	77%	0.767	S	S	*	*			trans	-95.1	105.1	158.6	-104.3	-30.3	0	0	0	109.4	H14	H14-D16 PolarHBondContact O-N 3.47Å
17	K	36.5	Very low	40.8	Very low	183 Å²	183	147 Å²	147	80%	0.796	76%	0.763	S	S	*	*			trans	-76.3	131.2	162.6	-91.9	179.8	176.5	175.6	0	107.6	Q19	K17-Q19 PolarHBondContact O-N 3.03Å
18	P	33.4	Very low	42.3	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	75%	0.748	S	S	*	*			trans	-60.8	115.5	169.8	-13.6	26.7	0	0	0	108.3	L20	P18-L20 PolarHBondContact O-N 2.94Å
19	Q	36.3	Very low	44.2	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.883	73%	0.73	S	S	*	*			trans	-59	120.7	168.3	-72.9	-179.8	-11.3	0	0	107.9	K17 S21	K17-Q19 PolarHBondContact O-N 3.03Å; Q19-S21 PolarHBondContact O-N 3.1Å
20	L	36.4	Very low	46.6	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	69%	0.694	S	S	*	*			trans	-55.5	102.5	170.4	-170.5	73.3	0	0	0	107.6	P18 A22	P18-L20 PolarHBondContact O-N 2.94Å; L20-A22 PolarHBondContact O-N 3.2Å
21	S	36.6	Very low	48.3	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	69%	0.687	S	S	*	*			trans	-54.1	131.1	174.4	51.2	0	0	0	0	109	Q19	Q19-S21 PolarHBondContact O-N 3.1Å
22	A	42.5	Very low	49.9	Very low	77 Å²	77	130 Å²	130	64%	0.636	68%	0.675	S	S	*	*			trans	-42.3	147.2	171.6	0	0	0	0	0	110.9	L20 F24	L20-A22 PolarHBondContact O-N 3.2Å; A22-F24 PolarHBondContact O-N 2.85Å
23	P	45	Very low	51.6	Low	126 Å²	126	123.2 Å²	123.2	82%	0.818	65%	0.645	S	S	*	*			trans	-58.7	107.9	-178.8	25.9	-33.3	0	0	0	107.9	N25	P23-N25 PolarHBondContact O-N 3.41Å
24	F	50.3	Low	53	Low	148 Å²	148	119.9 Å²	119.9	65%	0.649	63%	0.629	S	S	*	*			trans	-53.5	120.3	167.4	-84.6	-88.1	0	0	0	105.5	A22 H26	A22-F24 PolarHBondContact O-N 2.85Å; F24-H26 PolarHBondContact O-CD2 2.86Å; F24-H26 VanDerWaalsContact O-CG 3.28Å; F24-H26 PolarHBondContact O-N 2.87Å; F24-H26 PolarHBondContact O-NE2 3.39Å
25	N	50.8	Low	54.7	Low	130 Å²	130	116 Å²	116	70%	0.695	61%	0.611	S	S	*	*			trans	-66.4	94.3	176.3	-163.2	1.5	0	0	0	106.1	P23 R27 P28	P23-N25 PolarHBondContact O-N 3.41Å; N25-R27 PolarHBondContact O-N 2.82Å; N25-P28 WeakPolarHBondContact O-CD 3.49Å
26	H	59.1	Low	57.1	Low	71 Å²	71	111.1 Å²	111.1	33%	0.329	58%	0.58	S	S	.	*			trans	-74.4	-6.4	-172.5	-66.7	-61.4	0	0	0	113	F24 P28 L29 C30 L48	F24-H26 PolarHBondContact O-CD2 2.86Å; F24-H26 VanDerWaalsContact O-CG 3.28Å; F24-H26 PolarHBondContact O-N 2.87Å; F24-H26 PolarHBondContact O-NE2 3.39Å; H26-P28 VanDerWaalsContact C-N 3.3Å; H26-L29 PolarHBondContact O-N 3.09Å; H26-C30 PolarHBondContact O-N 3.34Å; H26-L48 HydrophobicContact CB-CD2 4.2Å; H26-L48 VanDerWaalsContact ND1-CD2 3.29Å; H26-L48 WeakPolarHBondContact ND1-CD2 3.48Å
27	R	57.2	Low	59.5	Low	146 Å²	146	104.3 Å²	104.3	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-41.6	-48.3	175.8	-119.5	-179.5	-179.7	-177.1	-5.5	114.4	N25 L29 C30 D31 E45	N25-R27 PolarHBondContact O-N 2.82Å; R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.39Å; R27-C30 PolarHBondContact O-N 3.33Å; R27-D31 WeakPolarHBondContact O-CB 3.05Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 2.8Å; R27-E45 WeakPolarHBondContact CG-OE1 3.5Å; R27-E45 IonicContact NE-OE1 2.74Å
28	P	68.4	Low	61.9	Low	67 Å²	67	100 Å²	100	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-33.1	-178.1	-18.7	31.1	0	0	0	112.9	N25 H26 Q32	N25-P28 WeakPolarHBondContact O-CD 3.49Å; H26-P28 VanDerWaalsContact C-N 3.3Å; P28-Q32 VanDerWaalsContact O-CB 3.28Å; P28-Q32 WeakPolarHBondContact O-CB 3.14Å; P28-Q32 WeakPolarHBondContact O-CG 3.19Å; P28-Q32 PolarHBondContact O-N 3.16Å; P28-Q32 PolarHBondContact O-NE2 2.97Å
29	L	79.1	Confident	64.7	Low	95 Å²	95	94 Å²	94	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-75.8	-43.5	-179.1	-87	93	0	0	0	112	H26 R27 Q32 L33 L48	H26-L29 PolarHBondContact O-N 3.09Å; R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.39Å; L29-Q32 PolarHBondContact O-N 2.89Å; L29-L33 PolarHBondContact O-N 2.03Å; L29-L48 HydrophobicContact CB-CD1 4.41Å
30	C	83.3	Confident	67.3	Low	1 Å²	1	85.2 Å²	85.2	1%	0.007	46%	0.456	C	S	.	.	H	α-helix	trans	-71.6	-32.4	-179.1	-67.9	0	0	0	0	112.5	H26 R27 Q32 L33 C44 E45	H26-C30 PolarHBondContact O-N 3.34Å; R27-C30 PolarHBondContact O-N 3.33Å; C30-Q32 VanDerWaalsContact C-N 3.32Å; C30-L33 PolarHBondContact O-N 3.05Å; C30-C44 VanDerWaalsContact CA-SG 3.56Å; C30-C44 HydrophobicContact CB-CB 3.75Å; C30-C44 WeakPolarHBondContact CB-SG 3.01Å; C30-C44 WeakPolarHBondContact SG-CB 2.93Å; C30-C44 CovalentContact SG-SG 2.04Å; C30-C44 PolarHBondContact SG-SG 2.03Å; C30-E45 HydrophobicContact CB-CG 4.25Å; C30-E45 PolarHBondContact SG-N 2.99Å
31	D	73.8	Confident	69.9	Low	104 Å²	104	77.5 Å²	77.5	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-72.9	-25.9	174	-67	-26.8	0	0	0	112.1	R27	R27-D31 WeakPolarHBondContact O-CB 3.05Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 2.8Å
32	Q	74.1	Confident	72.6	Confident	144 Å²	144	79.6 Å²	79.6	67%	0.673	41%	0.413	S	S	*	.	H	α-helix	trans	-77.7	-21.3	174.1	-79.9	168	17.4	0	0	113.4	P28 L29 C30 E34	P28-Q32 VanDerWaalsContact O-CB 3.28Å; P28-Q32 WeakPolarHBondContact O-CB 3.14Å; P28-Q32 WeakPolarHBondContact O-CG 3.19Å; P28-Q32 PolarHBondContact O-N 3.16Å; P28-Q32 PolarHBondContact O-NE2 2.97Å; L29-Q32 PolarHBondContact O-N 2.89Å; C30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.03Å
33	L	72.6	Confident	75	Confident	57 Å²	57	77 Å²	77	30%	0.298	39%	0.388	S	S	.	.	S	Bend	trans	-68.1	103.1	172.8	-68.7	174.7	0	0	0	108	L29 C30 E35 L36 M51 M83	L29-L33 PolarHBondContact O-N 2.03Å; C30-L33 PolarHBondContact O-N 3.05Å; L33-E35 PolarHBondContact O-N 3.34Å; L33-L36 HydrophobicContact CB-CD1 3.93Å; L33-L36 HydrophobicContact CB-CG 4.12Å; L33-L36 HydrophobicContact CD1-CD1 4.01Å; L33-M51 HydrophobicContact CD1-CB 4.46Å; L33-M51 HydrophobicContact CD1-CG 4.37Å; L33-M83 HydrophobicContact CD1-CE 4.26Å
34	E	66.6	Low	77.3	Confident	127 Å²	127	71 Å²	71	59%	0.593	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	129.5	-179.4	-70	-171.4	179	0	0	111	Q32 L36 K82	Q32-E34 PolarHBondContact O-N 3.03Å; E34-L36 PolarHBondContact O-N 3.03Å; E34-K82 IonicContact OE2-NZ 2.75Å; E34-K82 PolarHBondContact OE2-NZ 3.17Å
35	E	74.8	Confident	79.3	Confident	96 Å²	96	66.9 Å²	66.9	45%	0.449	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	19.8	165	-51.6	170.1	-160	0	0	117.3	L33 K82 T84	L33-E35 PolarHBondContact O-N 3.34Å; E35-K82 VanDerWaalsContact OE1-CD 3.32Å; E35-K82 WeakPolarHBondContact OE1-CD 3.5Å; E35-K82 IonicContact OE1-NZ 3.98Å; E35-K82 PolarHBondContact OE1-NZ 3.33Å; E35-T84 HydrophobicContact CB-CG2 3.66Å; E35-T84 WeakPolarHBondContact CB-OG1 3.39Å; E35-T84 WeakPolarHBondContact OE2-CG2 3.45Å; E35-T84 PolarHBondContact OE2-OG1 3.43Å
36	L	84.6	Confident	81.3	Confident	26 Å²	26	67.1 Å²	67.1	14%	0.136	33%	0.332	C	S	.	.			trans	-67.5	138.6	165.7	-66.4	-173	0	0	0	111.7	L33 E34 Q40 C44 F157	L33-L36 HydrophobicContact CB-CD1 3.93Å; L33-L36 HydrophobicContact CB-CG 4.12Å; L33-L36 HydrophobicContact CD1-CD1 4.01Å; E34-L36 PolarHBondContact O-N 3.03Å; L36-Q40 HydrophobicContact CB-CB 4.03Å; L36-Q40 HydrophobicContact CD2-CB 4.09Å; L36-Q40 HydrophobicContact CG-CB 4.47Å; L36-C44 HydrophobicContact CD1-CB 4.03Å; L36-F157 HydrophobicContact CD2-CZ 3.91Å
37	S	87.1	Confident	83	Confident	20 Å²	20	66.4 Å²	66.4	14%	0.14	33%	0.328	C	S	.	.			trans	-66.3	157.3	168.3	90.1	0	0	0	0	110.8	G39 Q40 A41 E164	S37-G39 PolarHBondContact O-N 3.05Å; S37-G39 PolarHBondContact OG-N 3.45Å; S37-Q40 WeakPolarHBondContact O-CA 3.39Å; S37-Q40 WeakPolarHBondContact O-CB 3.48Å; S37-Q40 PolarHBondContact O-N 2.77Å; S37-Q40 WeakPolarHBondContact OG-CG 3.23Å; S37-Q40 PolarHBondContact OG-N 3.21Å; S37-A41 PolarHBondContact O-N 3.38Å; S37-E164 WeakPolarHBondContact CB-OE2 3.29Å; S37-E164 PolarHBondContact OG-OE2 2.73Å
38	P	88.6	Confident	84.7	Confident	93 Å²	93	61.7 Å²	61.7	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-52.2	-34.5	177.5	-28.9	36.3	0	0	0	113.8	R42	P38-R42 WeakPolarHBondContact O-CG 3.04Å; P38-R42 PolarHBondContact O-N 3.47Å; P38-R42 PolarHBondContact O-NH1 3.25Å
39	G	90.4	Very high	85.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-76.1	-35.6	175.7	0	0	0	0	0	114.1	S37 A41 R42 I43 E164	S37-G39 PolarHBondContact O-N 3.05Å; S37-G39 PolarHBondContact OG-N 3.45Å; G39-A41 VanDerWaalsContact C-N 3.33Å; G39-R42 VanDerWaalsContact CA-NH2 3.31Å; G39-R42 PolarHBondContact O-N 3.06Å; G39-I43 WeakPolarHBondContact O-CG1 3.02Å; G39-I43 PolarHBondContact O-N 2.02Å; G39-I43 VanDerWaalsContact O-N 3.12Å; G39-E164 VanDerWaalsContact CA-CD 3.49Å; G39-E164 WeakPolarHBondContact CA-OE1 3.33Å; G39-E164 WeakPolarHBondContact CA-OE2 3.33Å; G39-E164 PolarHBondContact N-OE1 2.64Å; G39-E164 PolarHBondContact N-OE2 3.09Å
40	Q	92.1	Very high	86.7	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-40.3	172.1	-67.4	-179.9	-56.9	0	0	111.1	L36 S37 R42 I43 C44 F157 I160	L36-Q40 HydrophobicContact CB-CB 4.03Å; L36-Q40 HydrophobicContact CD2-CB 4.09Å; L36-Q40 HydrophobicContact CG-CB 4.47Å; S37-Q40 WeakPolarHBondContact O-CA 3.39Å; S37-Q40 WeakPolarHBondContact O-CB 3.48Å; S37-Q40 PolarHBondContact O-N 2.77Å; S37-Q40 WeakPolarHBondContact OG-CG 3.23Å; S37-Q40 PolarHBondContact OG-N 3.21Å; Q40-R42 PolarHBondContact O-N 3.18Å; Q40-I43 PolarHBondContact O-N 3.05Å; Q40-I43 VanDerWaalsContact O-N 3.15Å; Q40-C44 WeakPolarHBondContact O-CB 2.99Å; Q40-C44 PolarHBondContact O-N 3.05Å; Q40-F157 HydrophobicContact CB-CD2 4.49Å; Q40-F157 HydrophobicContact CB-CE2 3.93Å; Q40-F157 HydrophobicContact CB-CZ 4.22Å; Q40-F157 HydrophobicContact CG-CE2 4.32Å; Q40-F157 HydrophobicContact CG-CZ 4.44Å; Q40-F157 WeakPolarHBondContact CG-O 3.39Å; Q40-F157 PolarHBondContact NE2-O 2.87Å; Q40-I160 HydrophobicContact CG-CG2 3.51Å
41	A	90.8	Very high	87.2	Confident	11 Å²	11	56.9 Å²	56.9	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-45.3	174.9	0	0	0	0	0	111.5	S37 G39 I43 C44 E45	S37-A41 PolarHBondContact O-N 3.38Å; G39-A41 VanDerWaalsContact C-N 3.33Å; A41-I43 VanDerWaalsContact C-N 3.33Å; A41-I43 PolarHBondContact O-N 3.48Å; A41-C44 WeakPolarHBondContact O-CB 3.17Å; A41-C44 PolarHBondContact O-N 3.29Å; A41-C44 VanDerWaalsContact O-N 3.16Å; A41-E45 WeakPolarHBondContact O-CG 2.91Å; A41-E45 PolarHBondContact O-N 3.13Å
42	R	92.3	Very high	88.1	Confident	129 Å²	129	56.5 Å²	56.5	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-38	174.2	-70.2	-172.2	-59.4	-86.2	1.3	113.3	P38 G39 Q40 L46 E164	P38-R42 WeakPolarHBondContact O-CG 3.04Å; P38-R42 PolarHBondContact O-N 3.47Å; P38-R42 PolarHBondContact O-NH1 3.25Å; G39-R42 VanDerWaalsContact CA-NH2 3.31Å; G39-R42 PolarHBondContact O-N 3.06Å; Q40-R42 PolarHBondContact O-N 3.18Å; R42-L46 WeakPolarHBondContact O-CG 3.19Å; R42-L46 PolarHBondContact O-N 3.37Å; R42-E164 IonicContact CZ-OE1 2.77Å; R42-E164 IonicContact NH1-OE1 3.51Å; R42-E164 IonicContact NH2-OE1 3.92Å; R42-E164 PolarHBondContact NH2-OE1 3.11Å
43	I	93.5	Very high	89.2	Confident	23 Å²	23	50.5 Å²	50.5	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-38.6	176	-64.2	169	0	0	0	110.5	G39 Q40 A41 E45 L46 F47 F153 N156 F157 I160	G39-I43 WeakPolarHBondContact O-CG1 3.02Å; G39-I43 PolarHBondContact O-N 2.02Å; G39-I43 VanDerWaalsContact O-N 3.12Å; Q40-I43 PolarHBondContact O-N 3.05Å; Q40-I43 VanDerWaalsContact O-N 3.15Å; A41-I43 VanDerWaalsContact C-N 3.33Å; A41-I43 PolarHBondContact O-N 3.48Å; I43-E45 VanDerWaalsContact C-N 3.33Å; I43-E45 PolarHBondContact O-N 3.35Å; I43-L46 PolarHBondContact O-N 3.28Å; I43-F47 HydrophobicContact CG2-CD2 3.99Å; I43-F47 PolarHBondContact O-N 2.89Å; I43-F153 HydrophobicContact CG2-CE2 4.12Å; I43-F153 HydrophobicContact CG2-CZ 4.46Å; I43-N156 HydrophobicContact CD1-CB 4.31Å; I43-N156 VanDerWaalsContact CD1-O 3.22Å; I43-N156 WeakPolarHBondContact CD1-O 3.07Å; I43-F157 HydrophobicContact CB-CD2 4.02Å; I43-F157 HydrophobicContact CG2-CB 4.46Å; I43-F157 HydrophobicContact CG2-CD2 3.74Å; I43-I160 HydrophobicContact CD1-CD1 3.99Å; I43-I160 HydrophobicContact CD1-CG2 4.22Å
44	C	93.3	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-44.7	174.2	172.6	0	0	0	0	111.3	C30 L36 Q40 A41 L46 F47 L48 M51	C30-C44 VanDerWaalsContact CA-SG 3.56Å; C30-C44 HydrophobicContact CB-CB 3.75Å; C30-C44 WeakPolarHBondContact CB-SG 3.01Å; C30-C44 WeakPolarHBondContact SG-CB 2.93Å; C30-C44 CovalentContact SG-SG 2.04Å; C30-C44 PolarHBondContact SG-SG 2.03Å; L36-C44 HydrophobicContact CD1-CB 4.03Å; Q40-C44 WeakPolarHBondContact O-CB 2.99Å; Q40-C44 PolarHBondContact O-N 3.05Å; A41-C44 WeakPolarHBondContact O-CB 3.17Å; A41-C44 PolarHBondContact O-N 3.29Å; A41-C44 VanDerWaalsContact O-N 3.16Å; C44-L46 PolarHBondContact O-N 2.89Å; C44-F47 CarbonylContact O-C 3.48Å; C44-F47 PolarHBondContact O-N 2.97Å; C44-L48 VanDerWaalsContact O-CA 3.27Å; C44-L48 WeakPolarHBondContact O-CA 3.28Å; C44-L48 PolarHBondContact O-N 1.99Å; C44-M51 HydrophobicContact CB-CE 4.46Å; C44-M51 HydrophobicContact CB-CG 4.13Å; C44-M51 HydrophobicContact CB-SD 3.72Å; C44-M51 VanDerWaalsContact SG-CG 3.54Å
45	E	92.3	Very high	91.4	Very high	61 Å²	61	43 Å²	43	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-35.3	177.9	-72.8	171.2	-172.8	0	0	112.3	R27 C30 A41 I43	R27-E45 WeakPolarHBondContact CG-OE1 3.5Å; R27-E45 IonicContact NE-OE1 2.74Å; C30-E45 HydrophobicContact CB-CG 4.25Å; C30-E45 PolarHBondContact SG-N 2.99Å; A41-E45 WeakPolarHBondContact O-CG 2.91Å; A41-E45 PolarHBondContact O-N 3.13Å; I43-E45 VanDerWaalsContact C-N 3.33Å; I43-E45 PolarHBondContact O-N 3.35Å
46	L	93.4	Very high	92.3	Very high	134 Å²	134	43.2 Å²	43.2	70%	0.702	23%	0.231	S	C	*	.	H	α-helix	trans	-83.8	-27.1	-179.9	-66.2	173.3	0	0	0	113.9	R42 I43 C44	R42-L46 WeakPolarHBondContact O-CG 3.19Å; R42-L46 PolarHBondContact O-N 3.37Å; I43-L46 PolarHBondContact O-N 3.28Å; C44-L46 PolarHBondContact O-N 2.89Å
47	F	94.9	Very high	92.9	Very high	57 Å²	57	42 Å²	42	25%	0.25	22%	0.224	C	C	.	.			trans	-133	49.1	-171.9	-64.5	-83.8	0	0	0	110.7	I43 C44 D49 H50 F153	I43-F47 HydrophobicContact CG2-CD2 3.99Å; I43-F47 PolarHBondContact O-N 2.89Å; C44-F47 CarbonylContact O-C 3.48Å; C44-F47 PolarHBondContact O-N 2.97Å; F47-D49 PolarHBondContact O-N 3.28Å; F47-H50 HydrophobicContact CB-CB 4.14Å; F47-H50 AromaticContact CD1-CE1 3.69Å; F47-H50 AromaticContact CD1-ND1 3.9Å; F47-H50 VanDerWaalsContact O-CB 3.28Å; F47-H50 WeakPolarHBondContact O-CB 2.99Å; F47-H50 PolarHBondContact O-N 3.43Å; F47-F153 HydrophobicContact CB-CE2 3.7Å; F47-F153 HydrophobicContact CB-CZ 4.37Å; F47-F153 HydrophobicContact CD1-CE2 4.27Å; F47-F153 HydrophobicContact CD2-CE2 4.12Å; F47-F153 HydrophobicContact CG-CD2 4.37Å; F47-F153 AromaticContact CG-CE2 3.79Å; F47-F153 HydrophobicContact CG-CE2 3.79Å
48	L	93.1	Very high	93.2	Very high	46 Å²	46	41.2 Å²	41.2	24%	0.241	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.8	-37.6	-174.7	-175.1	67.5	0	0	0	112.1	H26 L29 C44 H50 M51	H26-L48 HydrophobicContact CB-CD2 4.2Å; H26-L48 VanDerWaalsContact ND1-CD2 3.29Å; H26-L48 WeakPolarHBondContact ND1-CD2 3.48Å; L29-L48 HydrophobicContact CB-CD1 4.41Å; C44-L48 VanDerWaalsContact O-CA 3.27Å; C44-L48 WeakPolarHBondContact O-CA 3.28Å; C44-L48 PolarHBondContact O-N 1.99Å; L48-H50 PolarHBondContact O-N 3.22Å; L48-M51 WeakPolarHBondContact O-CB 3.27Å; L48-M51 PolarHBondContact O-N 3.2Å; L48-M51 VanDerWaalsContact O-N 3.12Å
49	D	94	Very high	93.4	Very high	54 Å²	54	42.3 Å²	42.3	29%	0.289	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.9	-20.9	175.7	67.1	-34.4	0	0	0	113.4	F47 L120 S121	F47-D49 PolarHBondContact O-N 3.28Å; D49-L120 HydrophobicContact CB-CD2 4.38Å; D49-L120 VanDerWaalsContact O-CD2 3.28Å; D49-L120 WeakPolarHBondContact O-CD2 3.28Å; D49-L120 WeakPolarHBondContact OD2-CA 3.42Å; D49-S121 PolarHBondContact OD2-N 3.2Å; D49-S121 PolarHBondContact OD2-OG 2.64Å
50	H	95.6	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-80.7	-24.2	177.1	-65	52	0	0	0	112.5	F47 L48 V53 V54 I111 Y149 F153	F47-H50 HydrophobicContact CB-CB 4.14Å; F47-H50 AromaticContact CD1-CE1 3.69Å; F47-H50 AromaticContact CD1-ND1 3.9Å; F47-H50 VanDerWaalsContact O-CB 3.28Å; F47-H50 WeakPolarHBondContact O-CB 2.99Å; F47-H50 PolarHBondContact O-N 3.43Å; L48-H50 PolarHBondContact O-N 3.22Å; H50-V53 WeakPolarHBondContact O-CA 3.38Å; H50-V53 WeakPolarHBondContact O-CB 3.48Å; H50-V53 PolarHBondContact O-N 3.26Å; H50-V54 WeakPolarHBondContact O-CG2 2.99Å; H50-V54 PolarHBondContact O-N 3.42Å; H50-I111 HydrophobicContact CB-CD1 4.12Å; H50-Y149 PolarHBondContact CE1-OH 2.97Å; H50-Y149 AromaticContact NE2-CE1 3.44Å; H50-Y149 WeakPolarHBondContact NE2-CE1 3.28Å; H50-Y149 AromaticContact NE2-CZ 3.47Å; H50-Y149 PolarHBondContact NE2-OH 2.88Å; H50-F153 HydrophobicContact CB-CE1 4.09Å; H50-F153 HydrophobicContact CB-CE2 3.92Å; H50-F153 HydrophobicContact CB-CZ 3.49Å; H50-F153 VanDerWaalsContact CB-CZ 3.49Å; H50-F153 AromaticContact CD2-CD2 3.65Å; H50-F153 AromaticContact CD2-CE2 3.53Å; H50-F153 AromaticContact CD2-CZ 3.81Å; H50-F153 AromaticContact CG-CE2 3.79Å; H50-F153 AromaticContact CG-CZ 3.87Å
51	M	93.5	Very high	93.8	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-43.4	-170.2	-66	-57.3	104.6	0	0	113.8	L33 C44 L48 V53 V54 G55 M83 F153 F157	L33-M51 HydrophobicContact CD1-CB 4.46Å; L33-M51 HydrophobicContact CD1-CG 4.37Å; C44-M51 HydrophobicContact CB-CE 4.46Å; C44-M51 HydrophobicContact CB-CG 4.13Å; C44-M51 HydrophobicContact CB-SD 3.72Å; C44-M51 VanDerWaalsContact SG-CG 3.54Å; L48-M51 WeakPolarHBondContact O-CB 3.27Å; L48-M51 PolarHBondContact O-N 3.2Å; L48-M51 VanDerWaalsContact O-N 3.12Å; M51-V53 PolarHBondContact O-N 3.38Å; M51-V54 HydrophobicContact CE-CG2 4.15Å; M51-V54 WeakPolarHBondContact O-CB 3.43Å; M51-V54 PolarHBondContact O-N 3Å; M51-G55 PolarHBondContact O-N 3.12Å; M51-M83 HydrophobicContact CB-CE 3.75Å; M51-M83 HydrophobicContact CG-CE 4.2Å; M51-M83 VanDerWaalsContact O-CE 3.29Å; M51-M83 WeakPolarHBondContact O-CE 3.27Å; M51-M83 HydrophobicContact SD-CE 3.63Å; M51-F153 HydrophobicContact CE-CZ 3.8Å; M51-F157 HydrophobicContact CE-CD2 4.2Å; M51-F157 HydrophobicContact CE-CE2 3.84Å; M51-F157 HydrophobicContact CE-CZ 4.34Å; M51-F157 HydrophobicContact SD-CE2 3.86Å; M51-F157 HydrophobicContact SD-CZ 4Å
52	P	92.9	Very high	94	Very high	97 Å²	97	43 Å²	43	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-59.2	-36.9	173.7	-24.6	35.4	0	0	0	112.8	G55 F56	P52-G55 PolarHBondContact O-N 3.21Å; P52-F56 PolarHBondContact O-N 2.94Å
53	V	95.7	Very high	94.1	Very high	17 Å²	17	40.4 Å²	40.4	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-71.2	-38.3	178.9	-172.1	0	0	0	0	111.1	H50 M51 F56 G57 E110 I111 T114 L120	H50-V53 WeakPolarHBondContact O-CA 3.38Å; H50-V53 WeakPolarHBondContact O-CB 3.48Å; H50-V53 PolarHBondContact O-N 3.26Å; M51-V53 PolarHBondContact O-N 3.38Å; V53-F56 PolarHBondContact O-N 3.18Å; V53-G57 PolarHBondContact O-N 3.41Å; V53-E110 HydrophobicContact CG1-CB 3.84Å; V53-I111 HydrophobicContact CB-CD1 3.76Å; V53-I111 HydrophobicContact CG1-CD1 3.62Å; V53-I111 HydrophobicContact CG1-CG1 4.17Å; V53-T114 HydrophobicContact CG1-CG2 4.45Å; V53-T114 VanDerWaalsContact CG1-OG1 3.31Å; V53-T114 WeakPolarHBondContact CG1-OG1 3.31Å; V53-T114 HydrophobicContact CG2-CG2 3.83Å; V53-L120 HydrophobicContact CG2-CD2 4.07Å
54	V	94.8	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-48.8	172.1	172.7	0	0	0	0	110.3	H50 M51 F56 G57 V58 M83 V107 I111 F153 F157	H50-V54 WeakPolarHBondContact O-CG2 2.99Å; H50-V54 PolarHBondContact O-N 3.42Å; M51-V54 HydrophobicContact CE-CG2 4.15Å; M51-V54 WeakPolarHBondContact O-CB 3.43Å; M51-V54 PolarHBondContact O-N 3Å; V54-F56 VanDerWaalsContact C-N 3.32Å; V54-F56 PolarHBondContact O-N 2.72Å; V54-G57 PolarHBondContact O-N 3.05Å; V54-G57 VanDerWaalsContact O-N 3.15Å; V54-V58 WeakPolarHBondContact O-CG2 3.36Å; V54-V58 PolarHBondContact O-N 2.99Å; V54-M83 HydrophobicContact CB-CE 4.06Å; V54-M83 HydrophobicContact CG1-CE 4.03Å; V54-V107 HydrophobicContact CB-CG1 4.44Å; V54-V107 HydrophobicContact CG1-CG1 4.25Å; V54-V107 HydrophobicContact CG1-CG2 4.37Å; V54-V107 HydrophobicContact CG2-CG1 4.05Å; V54-I111 HydrophobicContact CG2-CD1 4.21Å; V54-F153 HydrophobicContact CG2-CE1 3.63Å; V54-F153 HydrophobicContact CG2-CZ 4.19Å; V54-F157 HydrophobicContact CG1-CD1 4.14Å; V54-F157 HydrophobicContact CG1-CE1 3.66Å; V54-F157 HydrophobicContact CG1-CZ 4.36Å
55	G	91.9	Very high	94.5	Very high	26 Å²	26	39.8 Å²	39.8	27%	0.268	21%	0.209	S	C	.	.	H	α-helix	trans	-58.4	-42.9	176.9	0	0	0	0	0	112.5	M51 P52 V58 K59	M51-G55 PolarHBondContact O-N 3.12Å; P52-G55 PolarHBondContact O-N 3.21Å; G55-V58 PolarHBondContact O-N 3.42Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.02Å
56	F	93.7	Very high	94.7	Very high	102 Å²	102	40.3 Å²	40.3	45%	0.447	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-41.3	174.8	-172	-115.9	0	0	0	112.5	P52 V53 V54 K59 N60 E110	P52-F56 PolarHBondContact O-N 2.94Å; V53-F56 PolarHBondContact O-N 3.18Å; V54-F56 VanDerWaalsContact C-N 3.32Å; V54-F56 PolarHBondContact O-N 2.72Å; F56-K59 PolarHBondContact O-N 3.4Å; F56-N60 WeakPolarHBondContact CD1-ND2 3.04Å; F56-N60 WeakPolarHBondContact CE1-ND2 2.99Å; F56-N60 WeakPolarHBondContact CE2-OD1 3.41Å; F56-N60 WeakPolarHBondContact CZ-ND2 3.44Å; F56-N60 WeakPolarHBondContact O-CB 3.32Å; F56-N60 VanDerWaalsContact O-CG 3.24Å; F56-N60 PolarHBondContact O-N 3.21Å; F56-E110 HydrophobicContact CD1-CB 4.49Å; F56-E110 HydrophobicContact CD1-CG 3.78Å; F56-E110 WeakPolarHBondContact CD1-OE2 3.5Å; F56-E110 HydrophobicContact CE1-CG 4.31Å; F56-E110 WeakPolarHBondContact CE1-OE2 3.36Å
57	G	96.1	Very high	94.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-39.3	176.3	0	0	0	0	0	113.6	V53 V54 A61 E110	V53-G57 PolarHBondContact O-N 3.41Å; V54-G57 PolarHBondContact O-N 3.05Å; V54-G57 VanDerWaalsContact O-N 3.15Å; G57-A61 VanDerWaalsContact O-CB 3.3Å; G57-A61 WeakPolarHBondContact O-CB 3.27Å; G57-A61 PolarHBondContact O-N 3.35Å; G57-A61 VanDerWaalsContact O-N 3.07Å; G57-E110 VanDerWaalsContact CA-CG 3.47Å
58	V	93.4	Very high	95	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-51.1	172.7	169.5	0	0	0	0	110.2	V54 G55 N60 A61 I62 L103 V107	V54-V58 WeakPolarHBondContact O-CG2 3.36Å; V54-V58 PolarHBondContact O-N 2.99Å; G55-V58 PolarHBondContact O-N 3.42Å; V58-N60 PolarHBondContact O-N 3.06Å; V58-A61 WeakPolarHBondContact O-CB 3.32Å; V58-A61 PolarHBondContact O-N 3.45Å; V58-I62 WeakPolarHBondContact O-CG1 3.14Å; V58-I62 PolarHBondContact O-N 2.87Å; V58-L103 HydrophobicContact CB-CD2 4.33Å; V58-L103 HydrophobicContact CG1-CD2 3.9Å; V58-L103 HydrophobicContact CG2-CD2 4.39Å; V58-V107 HydrophobicContact CG2-CG2 3.79Å
59	K	93.3	Very high	95.1	Very high	115 Å²	115	35.2 Å²	35.2	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-56	-52.6	179.2	-177.3	-173.9	174.7	-172.6	0	111.7	G55 F56 A61 I62 D63	G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.02Å; F56-K59 PolarHBondContact O-N 3.4Å; K59-A61 PolarHBondContact O-N 3.13Å; K59-I62 PolarHBondContact O-N 3.41Å; K59-I62 VanDerWaalsContact O-N 3.12Å; K59-D63 PolarHBondContact O-N 2.94Å
60	N	95.6	Very high	95.1	Very high	30 Å²	30	37 Å²	37	16%	0.16	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-34.8	-179.1	-68.5	-10.2	0	0	0	112	F56 V58 E64 E110 I220	F56-N60 WeakPolarHBondContact CD1-ND2 3.04Å; F56-N60 WeakPolarHBondContact CE1-ND2 2.99Å; F56-N60 WeakPolarHBondContact CE2-OD1 3.41Å; F56-N60 WeakPolarHBondContact CZ-ND2 3.44Å; F56-N60 WeakPolarHBondContact O-CB 3.32Å; F56-N60 VanDerWaalsContact O-CG 3.24Å; F56-N60 PolarHBondContact O-N 3.21Å; V58-N60 PolarHBondContact O-N 3.06Å; N60-E64 VanDerWaalsContact O-CB 3.32Å; N60-E64 WeakPolarHBondContact O-CB 3.26Å; N60-E64 PolarHBondContact O-N 2.74Å; N60-E110 PolarHBondContact ND2-OE1 3.26Å; N60-I220 HydrophobicContact CB-CD1 3.49Å; N60-I220 VanDerWaalsContact CB-CD1 3.49Å; N60-I220 WeakPolarHBondContact O-CD1 3.47Å
61	A	96.4	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-39.1	175.3	0	0	0	0	0	113.1	G57 V58 K59 C65 M102 L103	G57-A61 VanDerWaalsContact O-CB 3.3Å; G57-A61 WeakPolarHBondContact O-CB 3.27Å; G57-A61 PolarHBondContact O-N 3.35Å; G57-A61 VanDerWaalsContact O-N 3.07Å; V58-A61 WeakPolarHBondContact O-CB 3.32Å; V58-A61 PolarHBondContact O-N 3.45Å; K59-A61 PolarHBondContact O-N 3.13Å; A61-C65 WeakPolarHBondContact O-CB 3.19Å; A61-C65 PolarHBondContact O-N 2.91Å; A61-M102 HydrophobicContact CB-CE 4.26Å; A61-M102 HydrophobicContact CB-CG 4.05Å; A61-M102 WeakPolarHBondContact CB-O 3.02Å; A61-M102 WeakPolarHBondContact O-CG 3.24Å; A61-L103 HydrophobicContact CB-CD2 3.97Å
62	I	93.8	Very high	95	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-43.7	175.3	-63.4	-53.5	0	0	0	111	V58 K59 E64 C65 Q66 V79 T81 L103	V58-I62 WeakPolarHBondContact O-CG1 3.14Å; V58-I62 PolarHBondContact O-N 2.87Å; K59-I62 PolarHBondContact O-N 3.41Å; K59-I62 VanDerWaalsContact O-N 3.12Å; I62-E64 VanDerWaalsContact C-N 3.26Å; I62-E64 PolarHBondContact O-N 3.5Å; I62-C65 WeakPolarHBondContact O-CB 3.16Å; I62-C65 PolarHBondContact O-N 3Å; I62-C65 VanDerWaalsContact O-N 3.08Å; I62-Q66 HydrophobicContact CG2-CG 4.47Å; I62-Q66 WeakPolarHBondContact O-CG 3.44Å; I62-Q66 PolarHBondContact O-N 3.39Å; I62-V79 HydrophobicContact CD1-CB 4.04Å; I62-V79 HydrophobicContact CD1-CG1 3.39Å; I62-T81 HydrophobicContact CB-CG2 4.37Å; I62-T81 HydrophobicContact CG1-CG2 4.47Å; I62-T81 HydrophobicContact CG2-CG2 4.01Å; I62-L103 HydrophobicContact CD1-CD2 3.79Å; I62-L103 HydrophobicContact CD1-CG 4.34Å; I62-L103 HydrophobicContact CG1-CD2 4.09Å
63	D	95.8	Very high	95.1	Very high	74 Å²	74	44.4 Å²	44.4	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-58.3	-41.7	175.5	-69	-12.2	0	0	0	110.6	K59 W67	K59-D63 PolarHBondContact O-N 2.94Å; D63-W67 WeakPolarHBondContact O-CB 3.47Å; D63-W67 PolarHBondContact O-N 2.04Å
64	E	97.8	Very high	95	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-71.1	-34.7	175.7	-172.8	58.9	-154.9	0	0	112.5	N60 I62 W67 Q68 M102 I220 R221	N60-E64 VanDerWaalsContact O-CB 3.32Å; N60-E64 WeakPolarHBondContact O-CB 3.26Å; N60-E64 PolarHBondContact O-N 2.74Å; I62-E64 VanDerWaalsContact C-N 3.26Å; I62-E64 PolarHBondContact O-N 3.5Å; E64-W67 WeakPolarHBondContact O-CB 3.45Å; E64-W67 PolarHBondContact O-N 2.81Å; E64-Q68 HydrophobicContact CG-CG 4.44Å; E64-Q68 WeakPolarHBondContact O-CG 3.02Å; E64-Q68 PolarHBondContact O-N 3.4Å; E64-Q68 PolarHBondContact OE1-NE2 2.91Å; E64-M102 HydrophobicContact CB-CE 4.29Å; E64-M102 HydrophobicContact CG-CE 4.24Å; E64-M102 HydrophobicContact CG-SD 4.33Å; E64-I220 HydrophobicContact CB-CD1 4.5Å; E64-I220 HydrophobicContact CB-CG1 4.38Å; E64-I220 HydrophobicContact CG-CG1 4.43Å; E64-R221 WeakPolarHBondContact OE1-CD 3.17Å; E64-R221 IonicContact OE1-NE 3.27Å; E64-R221 PolarHBondContact OE1-NE 3.03Å; E64-R221 IonicContact OE2-CZ 2.83Å; E64-R221 IonicContact OE2-NE 2.86Å; E64-R221 PolarHBondContact OE2-NE 2.87Å; E64-R221 IonicContact OE2-NH2 2.91Å; E64-R221 PolarHBondContact OE2-NH2 2.98Å
65	C	96.7	Very high	95	Very high	1 Å²	1	47 Å²	47	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-48.2	172.8	-176.4	0	0	0	0	111.6	A61 I62 W67 Q68 F69 C76 F98	A61-C65 WeakPolarHBondContact O-CB 3.19Å; A61-C65 PolarHBondContact O-N 2.91Å; I62-C65 WeakPolarHBondContact O-CB 3.16Å; I62-C65 PolarHBondContact O-N 3Å; I62-C65 VanDerWaalsContact O-N 3.08Å; C65-W67 VanDerWaalsContact C-N 3.27Å; C65-W67 PolarHBondContact O-N 2.68Å; C65-Q68 PolarHBondContact O-N 2.87Å; C65-F69 WeakPolarHBondContact O-CB 3.22Å; C65-F69 WeakPolarHBondContact O-CD2 3.06Å; C65-F69 PolarHBondContact O-N 2.69Å; C65-C76 HydrophobicContact CB-CB 3.96Å; C65-C76 WeakPolarHBondContact CB-SG 3.49Å; C65-C76 WeakPolarHBondContact SG-CB 3.4Å; C65-C76 CovalentContact SG-SG 2.03Å; C65-C76 PolarHBondContact SG-SG 3.36Å; C65-F98 HydrophobicContact CB-CE1 3.96Å
66	Q	95.7	Very high	95	Very high	73 Å²	73	45.7 Å²	45.7	34%	0.341	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-39.5	174.8	-69.1	176	-2.3	0	0	111.3	I62 F69 R70 C76	I62-Q66 HydrophobicContact CG2-CG 4.47Å; I62-Q66 WeakPolarHBondContact O-CG 3.44Å; I62-Q66 PolarHBondContact O-N 3.39Å; Q66-F69 PolarHBondContact O-N 2.92Å; Q66-R70 WeakPolarHBondContact O-CA 3.4Å; Q66-R70 WeakPolarHBondContact O-CB 3.07Å; Q66-R70 PolarHBondContact O-N 3Å; Q66-C76 HydrophobicContact CG-CB 4.07Å; Q66-C76 WeakPolarHBondContact CG-O 3.29Å; Q66-C76 PolarHBondContact NE2-O 2.62Å
67	W	97.1	Very high	94.6	Very high	108 Å²	108	43.5 Å²	43.5	41%	0.409	19%	0.193	S	C	.	.	H	α-helix	trans	-60.6	-51.6	175.1	179	-98	0	0	0	112.3	D63 E64 C65 F69 R70 R221	D63-W67 WeakPolarHBondContact O-CB 3.47Å; D63-W67 PolarHBondContact O-N 2.04Å; E64-W67 WeakPolarHBondContact O-CB 3.45Å; E64-W67 PolarHBondContact O-N 2.81Å; C65-W67 VanDerWaalsContact C-N 3.27Å; C65-W67 PolarHBondContact O-N 2.68Å; W67-F69 VanDerWaalsContact C-N 3.28Å; W67-F69 PolarHBondContact O-N 3.04Å; W67-R70 WeakPolarHBondContact O-CD 3.37Å; W67-R70 VanDerWaalsContact O-CG 3.28Å; W67-R70 WeakPolarHBondContact O-CG 3.1Å; W67-R70 PolarHBondContact O-N 3.3Å; W67-R70 PolarHBondContact O-NH1 3.07Å; W67-R221 VanDerWaalsContact CD1-CZ 3.49Å; W67-R221 VanDerWaalsContact CD1-NE 3.33Å
68	Q	97.5	Very high	93.7	Very high	21 Å²	21	47.8 Å²	47.8	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-32.8	-178.1	-67.9	-63	-21.3	0	0	112.4	E64 C65 F98 L228	E64-Q68 HydrophobicContact CG-CG 4.44Å; E64-Q68 WeakPolarHBondContact O-CG 3.02Å; E64-Q68 PolarHBondContact O-N 3.4Å; E64-Q68 PolarHBondContact OE1-NE2 2.91Å; C65-Q68 PolarHBondContact O-N 2.87Å; Q68-F98 HydrophobicContact CB-CZ 4.22Å; Q68-F98 HydrophobicContact CG-CZ 4.25Å; Q68-L228 HydrophobicContact CB-CD1 4.47Å; Q68-L228 HydrophobicContact CB-CD2 4.35Å; Q68-L228 VanDerWaalsContact OE1-CD2 3.25Å
69	F	96.1	Very high	92.8	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-100.2	5.3	-176.8	-76.4	-96.4	0	0	0	114.8	C65 Q66 W67 Y71 R72 W74 E95 F98 L228 Y231	C65-F69 WeakPolarHBondContact O-CB 3.22Å; C65-F69 WeakPolarHBondContact O-CD2 3.06Å; C65-F69 PolarHBondContact O-N 2.69Å; Q66-F69 PolarHBondContact O-N 2.92Å; W67-F69 VanDerWaalsContact C-N 3.28Å; W67-F69 PolarHBondContact O-N 3.04Å; F69-Y71 PolarHBondContact O-N 2.89Å; F69-R72 HydrophobicContact CD1-CB 4.09Å; F69-R72 HydrophobicContact CD1-CG 4.34Å; F69-R72 PolarHBondContact O-N 3.05Å; F69-W74 HydrophobicContact CB-CE3 4.3Å; F69-W74 HydrophobicContact CB-CZ3 4.42Å; F69-W74 WeakPolarHBondContact CB-O 3.34Å; F69-W74 AromaticContact CD1-CE3 3.39Å; F69-W74 HydrophobicContact CD1-CE3 3.39Å; F69-W74 AromaticContact CD1-CZ3 3.7Å; F69-W74 HydrophobicContact CD1-CZ3 3.7Å; F69-W74 WeakPolarHBondContact CD1-O 3.05Å; F69-W74 HydrophobicContact CD2-CE3 4.39Å; F69-W74 AromaticContact CD2-CZ3 3.88Å; F69-W74 HydrophobicContact CD2-CZ3 3.88Å; F69-W74 AromaticContact CE1-CE3 3.68Å; F69-W74 HydrophobicContact CE1-CE3 3.68Å; F69-W74 AromaticContact CE1-CZ3 3.8Å; F69-W74 HydrophobicContact CE1-CZ3 3.8Å; F69-W74 HydrophobicContact CE2-CZ3 4Å; F69-W74 AromaticContact CG-CE3 3.78Å; F69-W74 HydrophobicContact CG-CE3 3.78Å; F69-W74 AromaticContact CG-CZ3 3.73Å; F69-W74 HydrophobicContact CG-CZ3 3.73Å; F69-W74 HydrophobicContact CZ-CE3 4.31Å; F69-W74 AromaticContact CZ-CZ3 3.96Å; F69-W74 HydrophobicContact CZ-CZ3 3.96Å; F69-E95 HydrophobicContact CE1-CG 4.47Å; F69-F98 HydrophobicContact CD2-CD1 4.32Å; F69-F98 HydrophobicContact CD2-CE1 4.14Å; F69-F98 HydrophobicContact CD2-CZ 4.48Å; F69-F98 HydrophobicContact CE2-CB 4.44Å; F69-F98 AromaticContact CE2-CD1 3.51Å; F69-F98 HydrophobicContact CE2-CD1 3.51Å; F69-F98 AromaticContact CE2-CD2 3.96Å; F69-F98 HydrophobicContact CE2-CD2 3.96Å; F69-F98 AromaticContact CE2-CE1 3.63Å; F69-F98 HydrophobicContact CE2-CE1 3.63Å; F69-F98 HydrophobicContact CE2-CE2 4.04Å; F69-F98 AromaticContact CE2-CG 3.7Å; F69-F98 HydrophobicContact CE2-CG 3.7Å; F69-F98 AromaticContact CE2-CZ 3.89Å; F69-F98 HydrophobicContact CE2-CZ 3.89Å; F69-F98 HydrophobicContact CZ-CB 4.39Å; F69-F98 HydrophobicContact CZ-CD1 4.25Å; F69-F98 HydrophobicContact CZ-CD2 4.38Å; F69-F98 HydrophobicContact CZ-CG 4.08Å; F69-L228 HydrophobicContact CE2-CD1 3.9Å; F69-L228 HydrophobicContact CZ-CD1 3.95Å; F69-Y231 HydrophobicContact CE1-CD1 4.36Å; F69-Y231 HydrophobicContact CE1-CD2 4.38Å; F69-Y231 AromaticContact CE1-CE1 3.92Å; F69-Y231 HydrophobicContact CE1-CE1 3.92Å; F69-Y231 AromaticContact CE1-CE2 3.87Å; F69-Y231 HydrophobicContact CE1-CE2 3.87Å; F69-Y231 AromaticContact CE1-CZ 3.65Å; F69-Y231 HydrophobicContact CZ-CD1 4.03Å; F69-Y231 AromaticContact CZ-CD2 3.8Å; F69-Y231 HydrophobicContact CZ-CD2 3.8Å; F69-Y231 HydrophobicContact CZ-CE1 4.05Å; F69-Y231 AromaticContact CZ-CE2 3.74Å; F69-Y231 HydrophobicContact CZ-CE2 3.74Å; F69-Y231 AromaticContact CZ-CG 3.93Å; F69-Y231 HydrophobicContact CZ-CG 3.93Å; F69-Y231 AromaticContact CZ-CZ 3.89Å
70	R	94.2	Very high	91.5	Very high	92 Å²	92	44.5 Å²	44.5	35%	0.347	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.1	-174.2	69	-170.5	-178.4	-83.6	0.4	115.3	Q66 W67 R285	Q66-R70 WeakPolarHBondContact O-CA 3.4Å; Q66-R70 WeakPolarHBondContact O-CB 3.07Å; Q66-R70 PolarHBondContact O-N 3Å; W67-R70 WeakPolarHBondContact O-CD 3.37Å; W67-R70 VanDerWaalsContact O-CG 3.28Å; W67-R70 WeakPolarHBondContact O-CG 3.1Å; W67-R70 PolarHBondContact O-N 3.3Å; W67-R70 PolarHBondContact O-NH1 3.07Å; R70-R285 PolarHBondContact O-NH2 3.05Å
71	Y	92.9	Very high	89.7	Confident	118 Å²	118	47.4 Å²	47.4	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	3.4	-179.7	-58.8	-47.9	0	0	0	114.5	F69 M294 E295	F69-Y71 PolarHBondContact O-N 2.89Å; Y71-M294 CarbonylContact O-C 3.53Å; Y71-M294 WeakPolarHBondContact O-CB 3.43Å; Y71-M294 VanDerWaalsContact O-O 3.07Å; Y71-E295 HydrophobicContact CD1-CB 3.87Å; Y71-E295 HydrophobicContact CD2-CB 4.33Å; Y71-E295 HydrophobicContact CG-CB 3.73Å
72	R	94.6	Very high	88	Confident	53 Å²	53	51.5 Å²	51.5	20%	0.2	24%	0.244	C	C	.	.	S	Bend	trans	-96.3	157.2	175.8	-63.6	-172.1	-178	-129	10.3	110	F69 W74 D232 R285 M294	F69-R72 HydrophobicContact CD1-CB 4.09Å; F69-R72 HydrophobicContact CD1-CG 4.34Å; F69-R72 PolarHBondContact O-N 3.05Å; R72-W74 VanDerWaalsContact C-N 3.33Å; R72-W74 CarbonylContact O-C 3.38Å; R72-W74 PolarHBondContact O-N 3.01Å; R72-D232 IonicContact CZ-OD1 3.26Å; R72-D232 VanDerWaalsContact CZ-OD1 3.27Å; R72-D232 IonicContact CZ-OD2 3.49Å; R72-D232 IonicContact NH1-OD1 3.42Å; R72-D232 PolarHBondContact NH1-OD1 3.45Å; R72-D232 VanDerWaalsContact NH2-CG 3.29Å; R72-D232 IonicContact NH2-OD1 2.77Å; R72-D232 PolarHBondContact NH2-OD1 3.32Å; R72-D232 IonicContact NH2-OD2 3.89Å; R72-D232 PolarHBondContact NH2-OD2 3.44Å; R72-R285 PolarHBondContact O-NH1 3.34Å; R72-R285 PolarHBondContact O-NH2 2.92Å; R72-M294 HydrophobicContact CG-CB 4.47Å
73	R	94.9	Very high	86.1	Confident	89 Å²	89	53 Å²	53	34%	0.336	25%	0.252	S	S	.	.	S	Bend	trans	-57.6	-41.9	-178	-63.9	177.8	-176.9	157.7	0.5	113	T282 R285 L299 L300 C302	R73-T282 HydrophobicContact CB-CG2 4.01Å; R73-T282 HydrophobicContact CG-CG2 4.09Å; R73-R285 VanDerWaalsContact C-NH1 3.3Å; R73-R285 PolarHBondContact O-NH1 3.22Å; R73-L299 PolarHBondContact NE-O 3.11Å; R73-L299 PolarHBondContact NH2-O 3.39Å; R73-L300 HydrophobicContact CG-CD1 4.33Å; R73-C302 PolarHBondContact NE-SG 3.22Å
74	W	93.7	Very high	84	Confident	23 Å²	23	50.7 Å²	50.7	9%	0.087	24%	0.24	C	C	.	.	S	Bend	trans	-87.9	122.8	162.1	-177.7	84	0	0	0	109.1	F69 R72 C76 V79 E95 T99 Y270	F69-W74 HydrophobicContact CB-CE3 4.3Å; F69-W74 HydrophobicContact CB-CZ3 4.42Å; F69-W74 WeakPolarHBondContact CB-O 3.34Å; F69-W74 AromaticContact CD1-CE3 3.39Å; F69-W74 HydrophobicContact CD1-CE3 3.39Å; F69-W74 AromaticContact CD1-CZ3 3.7Å; F69-W74 HydrophobicContact CD1-CZ3 3.7Å; F69-W74 WeakPolarHBondContact CD1-O 3.05Å; F69-W74 HydrophobicContact CD2-CE3 4.39Å; F69-W74 AromaticContact CD2-CZ3 3.88Å; F69-W74 HydrophobicContact CD2-CZ3 3.88Å; F69-W74 AromaticContact CE1-CE3 3.68Å; F69-W74 HydrophobicContact CE1-CE3 3.68Å; F69-W74 AromaticContact CE1-CZ3 3.8Å; F69-W74 HydrophobicContact CE1-CZ3 3.8Å; F69-W74 HydrophobicContact CE2-CZ3 4Å; F69-W74 AromaticContact CG-CE3 3.78Å; F69-W74 HydrophobicContact CG-CE3 3.78Å; F69-W74 AromaticContact CG-CZ3 3.73Å; F69-W74 HydrophobicContact CG-CZ3 3.73Å; F69-W74 HydrophobicContact CZ-CE3 4.31Å; F69-W74 AromaticContact CZ-CZ3 3.96Å; F69-W74 HydrophobicContact CZ-CZ3 3.96Å; R72-W74 VanDerWaalsContact C-N 3.33Å; R72-W74 CarbonylContact O-C 3.38Å; R72-W74 PolarHBondContact O-N 3.01Å; W74-C76 HydrophobicContact CE3-CB 4.41Å; W74-C76 HydrophobicContact CH2-CB 3.61Å; W74-C76 WeakPolarHBondContact CH2-SG 3.44Å; W74-C76 HydrophobicContact CZ2-CB 4.01Å; W74-C76 HydrophobicContact CZ3-CB 3.83Å; W74-V79 HydrophobicContact CH2-CG2 4.41Å; W74-V79 HydrophobicContact CZ2-CG2 3.83Å; W74-E95 HydrophobicContact CB-CG 4.26Å; W74-E95 HydrophobicContact CD2-CB 3.78Å; W74-E95 HydrophobicContact CD2-CG 3.58Å; W74-E95 HydrophobicContact CE3-CB 3.67Å; W74-E95 HydrophobicContact CE3-CG 3.41Å; W74-E95 VanDerWaalsContact CE3-CG 3.41Å; W74-E95 HydrophobicContact CG-CB 4.49Å; W74-E95 HydrophobicContact CG-CG 3.97Å; W74-E95 HydrophobicContact CH2-CB 3.84Å; W74-E95 HydrophobicContact CZ2-CB 3.94Å; W74-E95 HydrophobicContact CZ3-CB 3.7Å; W74-E95 HydrophobicContact CZ3-CG 3.92Å; W74-T99 WeakPolarHBondContact CH2-OG1 3.31Å; W74-Y270 HydrophobicContact CB-CD1 3.86Å; W74-Y270 HydrophobicContact CB-CD2 4.13Å; W74-Y270 HydrophobicContact CB-CE1 3.85Å; W74-Y270 HydrophobicContact CB-CE2 4.11Å; W74-Y270 HydrophobicContact CB-CG 4Å; W74-Y270 AromaticContact CD1-CE1 3.65Å; W74-Y270 HydrophobicContact CG-CD1 4.37Å; W74-Y270 HydrophobicContact CG-CE1 4Å
75	N	93.1	Very high	82	Confident	47 Å²	47	50.4 Å²	50.4	25%	0.251	24%	0.239	S	C	.	.			trans	-113.7	14.7	-173.4	70.3	-9.7	0	0	0	114	S77	N75-S77 PolarHBondContact O-N 2.9Å; N75-S77 VanDerWaalsContact OD1-CB 3.24Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 3.16Å; N75-S77 PolarHBondContact OD1-OG 3.22Å
76	C	92.1	Very high	80.2	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	61.4	21.2	-179.2	-155.6	0	0	0	0	115.7	C65 Q66 W74	C65-C76 HydrophobicContact CB-CB 3.96Å; C65-C76 WeakPolarHBondContact CB-SG 3.49Å; C65-C76 WeakPolarHBondContact SG-CB 3.4Å; C65-C76 CovalentContact SG-SG 2.03Å; C65-C76 PolarHBondContact SG-SG 3.36Å; Q66-C76 HydrophobicContact CG-CB 4.07Å; Q66-C76 WeakPolarHBondContact CG-O 3.29Å; Q66-C76 PolarHBondContact NE2-O 2.62Å; W74-C76 HydrophobicContact CE3-CB 4.41Å; W74-C76 HydrophobicContact CH2-CB 3.61Å; W74-C76 WeakPolarHBondContact CH2-SG 3.44Å; W74-C76 HydrophobicContact CZ2-CB 4.01Å; W74-C76 HydrophobicContact CZ3-CB 3.83Å
77	S	85.8	Confident	78.4	Confident	55 Å²	55	49.6 Å²	49.6	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-33.1	178.9	52.4	0	0	0	0	114	N75 V79	N75-S77 PolarHBondContact O-N 2.9Å; N75-S77 VanDerWaalsContact OD1-CB 3.24Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 3.16Å; N75-S77 PolarHBondContact OD1-OG 3.22Å; S77-V79 PolarHBondContact O-N 2.97Å
78	N	77.9	Confident	76.6	Confident	90 Å²	90	50.3 Å²	50.3	48%	0.481	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	9.1	-177.1	-67	-7	0	0	0	113.7	G278	N78-G278 PolarHBondContact ND2-O 3Å
79	V	73.7	Confident	75.2	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.042	25%	0.252	C	S	.	.	S	Bend	trans	-87.8	116	177.8	-173.3	0	0	0	0	108.9	I62 W74 S77 T81 P87 T99	I62-V79 HydrophobicContact CD1-CB 4.04Å; I62-V79 HydrophobicContact CD1-CG1 3.39Å; W74-V79 HydrophobicContact CH2-CG2 4.41Å; W74-V79 HydrophobicContact CZ2-CG2 3.83Å; S77-V79 PolarHBondContact O-N 2.97Å; V79-T81 PolarHBondContact O-N 3.42Å; V79-P87 HydrophobicContact CG1-CB 4.26Å; V79-T99 HydrophobicContact CG1-CG2 3.78Å; V79-T99 HydrophobicContact CG2-CG2 4.29Å
80	S	66.5	Low	74	Confident	44 Å²	44	54 Å²	54	31%	0.308	28%	0.275	S	S	.	.			trans	-57.7	131.6	177.8	-175.8	0	0	0	0	111.2	K82	S80-K82 VanDerWaalsContact C-N 3.26Å; S80-K82 WeakPolarHBondContact OG-CB 3.43Å; S80-K82 WeakPolarHBondContact OG-CG 3.44Å; S80-K82 PolarHBondContact OG-N 2.04Å
81	T	57.9	Low	73.5	Confident	91 Å²	91	51.7 Å²	51.7	56%	0.558	27%	0.269	S	S	*	.			trans	-82.7	-3.6	170.5	52.3	0	0	0	0	112.7	I62 V79	I62-T81 HydrophobicContact CB-CG2 4.37Å; I62-T81 HydrophobicContact CG1-CG2 4.47Å; I62-T81 HydrophobicContact CG2-CG2 4.01Å; V79-T81 PolarHBondContact O-N 3.42Å
82	K	59.4	Low	73.4	Confident	86 Å²	86	46 Å²	46	37%	0.374	25%	0.247	S	C	.	.	S	Bend	trans	-57.9	145.7	176.7	-67	-171	175.9	-156.6	0	109.7	E34 E35 S80 T84	E34-K82 IonicContact OE2-NZ 2.75Å; E34-K82 PolarHBondContact OE2-NZ 3.17Å; E35-K82 VanDerWaalsContact OE1-CD 3.32Å; E35-K82 WeakPolarHBondContact OE1-CD 3.5Å; E35-K82 IonicContact OE1-NZ 3.98Å; E35-K82 PolarHBondContact OE1-NZ 3.33Å; S80-K82 VanDerWaalsContact C-N 3.26Å; S80-K82 WeakPolarHBondContact OG-CB 3.43Å; S80-K82 WeakPolarHBondContact OG-CG 3.44Å; S80-K82 PolarHBondContact OG-N 2.04Å; K82-T84 WeakPolarHBondContact CB-OG1 3.23Å; K82-T84 PolarHBondContact O-N 3.21Å
83	M	54.3	Low	73.4	Confident	33 Å²	33	43.8 Å²	43.8	16%	0.163	24%	0.24	C	C	.	.	S	Bend	trans	-63.5	-1.4	-174	-159.7	152.3	157.9	0	0	113.8	L33 M51 V54 V85	L33-M83 HydrophobicContact CD1-CE 4.26Å; M51-M83 HydrophobicContact CB-CE 3.75Å; M51-M83 HydrophobicContact CG-CE 4.2Å; M51-M83 VanDerWaalsContact O-CE 3.29Å; M51-M83 WeakPolarHBondContact O-CE 3.27Å; M51-M83 HydrophobicContact SD-CE 3.63Å; V54-M83 HydrophobicContact CB-CE 4.06Å; V54-M83 HydrophobicContact CG1-CE 4.03Å; M83-V85 PolarHBondContact O-N 3.26Å
84	T	52.6	Low	73.4	Confident	24 Å²	24	40.1 Å²	40.1	15%	0.147	23%	0.227	C	C	.	.			trans	-51.3	100.1	157.7	-15	0	0	0	0	109.9	E35 K82 R86	E35-T84 HydrophobicContact CB-CG2 3.66Å; E35-T84 WeakPolarHBondContact CB-OG1 3.39Å; E35-T84 WeakPolarHBondContact OE2-CG2 3.45Å; E35-T84 PolarHBondContact OE2-OG1 3.43Å; K82-T84 WeakPolarHBondContact CB-OG1 3.23Å; K82-T84 PolarHBondContact O-N 3.21Å; T84-R86 HydrophobicContact CG2-CB 4.26Å; T84-R86 PolarHBondContact O-N 3.48Å
85	V	54.5	Low	73.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.225	C	C	.	.	S	Bend	trans	-73	37.7	169.1	-155.9	0	0	0	0	111.9	M83 F157 I158	M83-V85 PolarHBondContact O-N 3.26Å; V85-F157 HydrophobicContact CG2-CD1 4.13Å; V85-F157 HydrophobicContact CG2-CE1 3.72Å; V85-I158 HydrophobicContact CB-CG1 4.33Å; V85-I158 HydrophobicContact CB-CG2 4.34Å; V85-I158 HydrophobicContact CG1-CB 4Å; V85-I158 HydrophobicContact CG1-CD1 3.64Å; V85-I158 HydrophobicContact CG1-CG1 3.64Å; V85-I158 HydrophobicContact CG1-CG2 3.49Å; V85-I158 VanDerWaalsContact CG1-CG2 3.49Å; V85-I158 HydrophobicContact CG2-CG1 4.25Å
86	R	60.4	Low	73.5	Confident	55 Å²	55	37.1 Å²	37.1	21%	0.208	21%	0.213	C	C	.	.	S	Bend	trans	-133.1	90.3	173.1	-169.6	-174	179.7	108.2	-1.6	106.6	T84 T88 R165 Y167	T84-R86 HydrophobicContact CG2-CB 4.26Å; T84-R86 PolarHBondContact O-N 3.48Å; R86-T88 PolarHBondContact O-N 3.24Å; R86-T88 VanDerWaalsContact O-N 3.11Å; R86-R165 VanDerWaalsContact CZ-NH1 3.28Å; R86-R165 VanDerWaalsContact NH1-CZ 3.33Å; R86-Y167 PolarHBondContact NH2-OH 3.12Å
87	P	57.6	Low	73.6	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.019	21%	0.213	C	C	.	.			trans	-46.2	122.7	162.9	-26.9	32.7	0	0	0	109.2	V79 L89 T99 Y100 L103	V79-P87 HydrophobicContact CG1-CB 4.26Å; P87-L89 HydrophobicContact CB-CD1 4.1Å; P87-L89 HydrophobicContact CB-CG 4.18Å; P87-L89 PolarHBondContact O-N 2.94Å; P87-T99 HydrophobicContact CB-CG2 3.96Å; P87-T99 HydrophobicContact CG-CG2 3.59Å; P87-Y100 HydrophobicContact CB-CE2 4.27Å; P87-Y100 HydrophobicContact CG-CD2 4.46Å; P87-Y100 HydrophobicContact CG-CE1 4.35Å; P87-Y100 HydrophobicContact CG-CE2 4.13Å; P87-Y100 PolarHBondContact O-OH 3.39Å; P87-L103 HydrophobicContact CG-CD1 3.36Å
88	T	58.4	Low	74.2	Confident	123 Å²	123	34.5 Å²	34.5	76%	0.755	19%	0.194	S	C	*	.			trans	-73.2	46.1	175.1	-34.4	0	0	0	0	110.9	R86 S90	R86-T88 PolarHBondContact O-N 3.24Å; R86-T88 VanDerWaalsContact O-N 3.11Å; T88-S90 PolarHBondContact O-N 2.8Å
89	L	68.2	Low	75	Confident	29 Å²	29	30.3 Å²	30.3	15%	0.152	17%	0.172	C	C	.	.			trans	-87.5	106.6	170.2	-65.9	170.1	0	0	0	106.1	P87 L91 A96 T99 K176	P87-L89 HydrophobicContact CB-CD1 4.1Å; P87-L89 HydrophobicContact CB-CG 4.18Å; P87-L89 PolarHBondContact O-N 2.94Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 2.97Å; L89-A96 HydrophobicContact CB-CB 4.06Å; L89-A96 HydrophobicContact CD1-CB 3.77Å; L89-T99 HydrophobicContact CD1-CG2 4.4Å; L89-K176 WeakPolarHBondContact O-CE 3.35Å; L89-K176 PolarHBondContact O-NZ 3.35Å
90	S	71.1	Confident	76	Confident	71 Å²	71	30 Å²	30	50%	0.497	17%	0.17	S	C	.	.			trans	-64.5	-33.8	-175.1	58.4	0	0	0	0	112	T88 K176	T88-S90 PolarHBondContact O-N 2.8Å; S90-K176 PolarHBondContact O-NZ 3.39Å
91	L	84.6	Confident	77.4	Confident	42 Å²	42	27.9 Å²	27.9	22%	0.22	16%	0.155	C	C	.	.	S	Bend	trans	-93.4	150	179.9	-61.4	174.8	0	0	0	112.1	L89 T93 D265 P268 T277	L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 2.97Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 HydrophobicContact CB-CG2 3.61Å; L91-T93 HydrophobicContact CD1-CG2 4.32Å; L91-T93 PolarHBondContact O-N 3.2Å; L91-D265 HydrophobicContact CB-CB 4.35Å; L91-P268 HydrophobicContact CD1-CG 4.47Å; L91-T277 HydrophobicContact CD1-CG2 4.3Å
92	G	90.9	Very high	79.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.			trans	-88.4	60.7	171.8	0	0	0	0	0	112	Y263 L264 D265	G92-Y263 WeakPolarHBondContact O-CB 3.44Å; G92-L264 PolarHBondContact O-N 3.29Å; G92-D265 PolarHBondContact N-OD2 2.97Å; G92-D265 PolarHBondContact O-N 3.43Å
93	T	94.2	Very high	81	Confident	6 Å²	6	19.9 Å²	19.9	4%	0.037	11%	0.113	C	C	.	.			trans	-85	168.7	-178.4	71	0	0	0	0	112.3	L91 E95 A96 A97	L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 HydrophobicContact CB-CG2 3.61Å; L91-T93 HydrophobicContact CD1-CG2 4.32Å; L91-T93 PolarHBondContact O-N 3.2Å; T93-E95 WeakPolarHBondContact CB-OE2 3.35Å; T93-E95 PolarHBondContact O-N 2.68Å; T93-E95 PolarHBondContact OG1-N 3.41Å; T93-E95 PolarHBondContact OG1-OE2 3.4Å; T93-A96 WeakPolarHBondContact O-CB 3.39Å; T93-A96 PolarHBondContact O-N 2.89Å; T93-A96 PolarHBondContact OG1-N 2.86Å; T93-A97 PolarHBondContact O-N 2.98Å
94	P	95.2	Very high	83.1	Confident	12 Å²	12	18.3 Å²	18.3	8%	0.078	11%	0.105	C	C	.	.	H	α-helix	trans	-54.1	-36.2	169.6	-25.7	35.7	0	0	0	113.5	A97 F98 Y231 Y263 P267	P94-A97 WeakPolarHBondContact O-CB 3.28Å; P94-A97 PolarHBondContact O-N 3.36Å; P94-A97 VanDerWaalsContact O-N 3.16Å; P94-F98 PolarHBondContact O-N 3.02Å; P94-Y231 VanDerWaalsContact C-CE2 3.48Å; P94-Y231 HydrophobicContact CB-CD2 3.9Å; P94-Y231 HydrophobicContact CB-CE2 3.51Å; P94-Y231 WeakPolarHBondContact O-CD2 3.42Å; P94-Y263 HydrophobicContact CB-CD1 4.47Å; P94-Y263 HydrophobicContact CG-CD1 3.77Å; P94-Y263 HydrophobicContact CG-CD2 3.96Å; P94-Y263 HydrophobicContact CG-CE1 4.02Å; P94-Y263 HydrophobicContact CG-CE2 4.22Å; P94-Y263 HydrophobicContact CG-CG 3.71Å; P94-P267 HydrophobicContact CG-CG 4.12Å
95	E	94.3	Very high	85.2	Confident	7 Å²	7	17.1 Å²	17.1	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-40.1	178.5	-62.3	79.1	-175.1	0	0	111	F69 W74 T93 F98 T99 Y231 Y270	F69-E95 HydrophobicContact CE1-CG 4.47Å; W74-E95 HydrophobicContact CB-CG 4.26Å; W74-E95 HydrophobicContact CD2-CB 3.78Å; W74-E95 HydrophobicContact CD2-CG 3.58Å; W74-E95 HydrophobicContact CE3-CB 3.67Å; W74-E95 HydrophobicContact CE3-CG 3.41Å; W74-E95 VanDerWaalsContact CE3-CG 3.41Å; W74-E95 HydrophobicContact CG-CB 4.49Å; W74-E95 HydrophobicContact CG-CG 3.97Å; W74-E95 HydrophobicContact CH2-CB 3.84Å; W74-E95 HydrophobicContact CZ2-CB 3.94Å; W74-E95 HydrophobicContact CZ3-CB 3.7Å; W74-E95 HydrophobicContact CZ3-CG 3.92Å; T93-E95 WeakPolarHBondContact CB-OE2 3.35Å; T93-E95 PolarHBondContact O-N 2.68Å; T93-E95 PolarHBondContact OG1-N 3.41Å; T93-E95 PolarHBondContact OG1-OE2 3.4Å; E95-F98 PolarHBondContact O-N 3.36Å; E95-T99 WeakPolarHBondContact O-CB 3.11Å; E95-T99 PolarHBondContact O-N 2.9Å; E95-T99 PolarHBondContact O-OG1 3.33Å; E95-Y231 HydrophobicContact CG-CE2 4.01Å; E95-Y231 PolarHBondContact OE1-OH 3.15Å; E95-Y270 WeakPolarHBondContact OE1-CE2 3.5Å; E95-Y270 PolarHBondContact OE1-OH 3.32Å; E95-Y270 PolarHBondContact OE2-OH 3.2Å
96	A	93.6	Very high	87.3	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-46.4	169.9	0	0	0	0	0	110.8	L89 T93 F98 T99 Y100	L89-A96 HydrophobicContact CB-CB 4.06Å; L89-A96 HydrophobicContact CD1-CB 3.77Å; T93-A96 WeakPolarHBondContact O-CB 3.39Å; T93-A96 PolarHBondContact O-N 2.89Å; T93-A96 PolarHBondContact OG1-N 2.86Å; A96-F98 VanDerWaalsContact C-N 3.33Å; A96-F98 PolarHBondContact O-N 3.44Å; A96-T99 PolarHBondContact O-N 2.91Å; A96-T99 VanDerWaalsContact O-N 3.1Å; A96-Y100 VanDerWaalsContact O-CD2 3.25Å; A96-Y100 WeakPolarHBondContact O-CD2 3.48Å; A96-Y100 PolarHBondContact O-N 3.34Å
97	A	95.6	Very high	89	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-45.7	178.4	0	0	0	0	0	112.7	T93 P94 A101 N183 L261 V262	T93-A97 PolarHBondContact O-N 2.98Å; P94-A97 WeakPolarHBondContact O-CB 3.28Å; P94-A97 PolarHBondContact O-N 3.36Å; P94-A97 VanDerWaalsContact O-N 3.16Å; A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.39Å; A97-A101 VanDerWaalsContact O-N 3.17Å; A97-N183 VanDerWaalsContact CA-ND2 3.32Å; A97-N183 WeakPolarHBondContact CA-ND2 3.34Å; A97-N183 WeakPolarHBondContact CB-ND2 3.22Å; A97-N183 WeakPolarHBondContact O-CB 3.39Å; A97-L261 HydrophobicContact CB-CB 4.21Å; A97-V262 VanDerWaalsContact CB-O 3.3Å; A97-V262 WeakPolarHBondContact CB-O 3.47Å
98	F	96.7	Very high	91	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-46.9	173.9	178	-84.6	0	0	0	111.6	C65 Q68 F69 P94 E95 A96 Y100 A101 M102 L227 L228 Y231 L261	C65-F98 HydrophobicContact CB-CE1 3.96Å; Q68-F98 HydrophobicContact CB-CZ 4.22Å; Q68-F98 HydrophobicContact CG-CZ 4.25Å; F69-F98 HydrophobicContact CD2-CD1 4.32Å; F69-F98 HydrophobicContact CD2-CE1 4.14Å; F69-F98 HydrophobicContact CD2-CZ 4.48Å; F69-F98 HydrophobicContact CE2-CB 4.44Å; F69-F98 AromaticContact CE2-CD1 3.51Å; F69-F98 HydrophobicContact CE2-CD1 3.51Å; F69-F98 AromaticContact CE2-CD2 3.96Å; F69-F98 HydrophobicContact CE2-CD2 3.96Å; F69-F98 AromaticContact CE2-CE1 3.63Å; F69-F98 HydrophobicContact CE2-CE1 3.63Å; F69-F98 HydrophobicContact CE2-CE2 4.04Å; F69-F98 AromaticContact CE2-CG 3.7Å; F69-F98 HydrophobicContact CE2-CG 3.7Å; F69-F98 AromaticContact CE2-CZ 3.89Å; F69-F98 HydrophobicContact CE2-CZ 3.89Å; F69-F98 HydrophobicContact CZ-CB 4.39Å; F69-F98 HydrophobicContact CZ-CD1 4.25Å; F69-F98 HydrophobicContact CZ-CD2 4.38Å; F69-F98 HydrophobicContact CZ-CG 4.08Å; P94-F98 PolarHBondContact O-N 3.02Å; E95-F98 PolarHBondContact O-N 3.36Å; A96-F98 VanDerWaalsContact C-N 3.33Å; A96-F98 PolarHBondContact O-N 3.44Å; F98-Y100 PolarHBondContact O-N 3.1Å; F98-A101 PolarHBondContact O-N 2.96Å; F98-M102 HydrophobicContact CD1-CB 4.32Å; F98-M102 HydrophobicContact CE1-CB 3.93Å; F98-M102 HydrophobicContact CE1-CG 4.16Å; F98-M102 HydrophobicContact CZ-CB 4.35Å; F98-M102 HydrophobicContact CZ-CG 4.38Å; F98-M102 WeakPolarHBondContact O-CB 3.4Å; F98-M102 PolarHBondContact O-N 3.23Å; F98-L227 HydrophobicContact CD2-CB 4Å; F98-L227 HydrophobicContact CE2-CB 3.64Å; F98-L227 HydrophobicContact CZ-CB 4.48Å; F98-L228 HydrophobicContact CE2-CB 4.28Å; F98-Y231 HydrophobicContact CB-CD2 3.9Å; F98-Y231 HydrophobicContact CB-CG 4.47Å; F98-L261 HydrophobicContact CB-CD1 4.32Å
99	T	95.1	Very high	92.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-59.5	-48.9	-177.1	-55.4	0	0	0	0	111.7	W74 V79 P87 L89 E95 A96 A101 M102 L103	W74-T99 WeakPolarHBondContact CH2-OG1 3.31Å; V79-T99 HydrophobicContact CG1-CG2 3.78Å; V79-T99 HydrophobicContact CG2-CG2 4.29Å; P87-T99 HydrophobicContact CB-CG2 3.96Å; P87-T99 HydrophobicContact CG-CG2 3.59Å; L89-T99 HydrophobicContact CD1-CG2 4.4Å; E95-T99 WeakPolarHBondContact O-CB 3.11Å; E95-T99 PolarHBondContact O-N 2.9Å; E95-T99 PolarHBondContact O-OG1 3.33Å; A96-T99 PolarHBondContact O-N 2.91Å; A96-T99 VanDerWaalsContact O-N 3.1Å; T99-A101 PolarHBondContact O-N 3.38Å; T99-M102 PolarHBondContact O-N 2.98Å; T99-L103 HydrophobicContact CG2-CD1 4.02Å; T99-L103 HydrophobicContact CG2-CG 4.43Å; T99-L103 WeakPolarHBondContact O-CB 3.46Å; T99-L103 WeakPolarHBondContact O-CG 3.46Å; T99-L103 PolarHBondContact O-N 2.92Å
100	Y	94.9	Very high	94.3	Very high	1 Å²	1	8 Å²	8	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-61	-43.3	177	-83.6	-81.9	0	0	0	111.7	P87 A96 F98 S104 N180 N184	P87-Y100 HydrophobicContact CB-CE2 4.27Å; P87-Y100 HydrophobicContact CG-CD2 4.46Å; P87-Y100 HydrophobicContact CG-CE1 4.35Å; P87-Y100 HydrophobicContact CG-CE2 4.13Å; P87-Y100 PolarHBondContact O-OH 3.39Å; A96-Y100 VanDerWaalsContact O-CD2 3.25Å; A96-Y100 WeakPolarHBondContact O-CD2 3.48Å; A96-Y100 PolarHBondContact O-N 3.34Å; F98-Y100 PolarHBondContact O-N 3.1Å; Y100-S104 VanDerWaalsContact O-CB 3.32Å; Y100-S104 WeakPolarHBondContact O-CB 3.46Å; Y100-S104 PolarHBondContact O-N 2.57Å; Y100-N180 HydrophobicContact CD1-CB 3.9Å; Y100-N180 HydrophobicContact CD2-CB 4.5Å; Y100-N180 HydrophobicContact CE1-CB 3.82Å; Y100-N180 WeakPolarHBondContact CE1-ND2 3.43Å; Y100-N180 HydrophobicContact CE2-CB 4.5Å; Y100-N180 VanDerWaalsContact CE2-OD1 3.28Å; Y100-N180 WeakPolarHBondContact CE2-OD1 3.3Å; Y100-N180 HydrophobicContact CG-CB 4.26Å; Y100-N180 PolarHBondContact OH-ND2 3.01Å; Y100-N180 VanDerWaalsContact OH-ND2 3.13Å; Y100-N184 WeakPolarHBondContact CB-OD1 3.44Å; Y100-N184 WeakPolarHBondContact CD1-OD1 3.29Å; Y100-N184 PolarHBondContact O-OD1 2.87Å; Y100-N184 VanDerWaalsContact O-OD1 3.13Å
101	A	96.9	Very high	95.6	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-63.8	-43.5	176.6	0	0	0	0	0	112.6	A97 F98 T99 A105 N183 G187 L227 L261	A97-A101 WeakPolarHBondContact O-CB 3.43Å; A97-A101 PolarHBondContact O-N 3.39Å; A97-A101 VanDerWaalsContact O-N 3.17Å; F98-A101 PolarHBondContact O-N 2.96Å; T99-A101 PolarHBondContact O-N 3.38Å; A101-A105 VanDerWaalsContact O-CB 3.25Å; A101-A105 WeakPolarHBondContact O-CB 3.46Å; A101-A105 PolarHBondContact O-N 3.07Å; A101-N183 VanDerWaalsContact CA-O 3.3Å; A101-N183 WeakPolarHBondContact CA-O 3.39Å; A101-N183 HydrophobicContact CB-CB 4.49Å; A101-N183 VanDerWaalsContact CB-O 3.31Å; A101-N183 WeakPolarHBondContact CB-O 3.26Å; A101-G187 WeakPolarHBondContact O-CA 3.27Å; A101-L227 HydrophobicContact CB-CD1 4.28Å; A101-L227 HydrophobicContact CB-CD2 3.94Å; A101-L261 HydrophobicContact CB-CD2 3.53Å
102	M	97	Very high	96.2	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.005	1%	0.014	C	C	.	.	H	α-helix	trans	-68.4	-42.1	-179.2	-169.3	61.7	-127.9	0	0	111.7	A61 E64 F98 T99 A105 G106 I220 L227	A61-M102 HydrophobicContact CB-CE 4.26Å; A61-M102 HydrophobicContact CB-CG 4.05Å; A61-M102 WeakPolarHBondContact CB-O 3.02Å; A61-M102 WeakPolarHBondContact O-CG 3.24Å; E64-M102 HydrophobicContact CB-CE 4.29Å; E64-M102 HydrophobicContact CG-CE 4.24Å; E64-M102 HydrophobicContact CG-SD 4.33Å; F98-M102 HydrophobicContact CD1-CB 4.32Å; F98-M102 HydrophobicContact CE1-CB 3.93Å; F98-M102 HydrophobicContact CE1-CG 4.16Å; F98-M102 HydrophobicContact CZ-CB 4.35Å; F98-M102 HydrophobicContact CZ-CG 4.38Å; F98-M102 WeakPolarHBondContact O-CB 3.4Å; F98-M102 PolarHBondContact O-N 3.23Å; T99-M102 PolarHBondContact O-N 2.98Å; M102-A105 PolarHBondContact O-N 3.29Å; M102-G106 PolarHBondContact O-N 3.14Å; M102-I220 HydrophobicContact CE-CD1 3.94Å; M102-I220 HydrophobicContact CE-CG1 3.53Å; M102-L227 HydrophobicContact CB-CD1 4.26Å; M102-L227 HydrophobicContact SD-CD1 3.8Å
103	L	95.6	Very high	96.5	Very high	7 Å²	7	5.7 Å²	5.7	4%	0.037	3%	0.026	C	C	.	.	H	α-helix	trans	-61.6	-48.5	175	-75.9	174	0	0	0	111.9	V58 A61 I62 P87 T99 A105 G106 V107	V58-L103 HydrophobicContact CB-CD2 4.33Å; V58-L103 HydrophobicContact CG1-CD2 3.9Å; V58-L103 HydrophobicContact CG2-CD2 4.39Å; A61-L103 HydrophobicContact CB-CD2 3.97Å; I62-L103 HydrophobicContact CD1-CD2 3.79Å; I62-L103 HydrophobicContact CD1-CG 4.34Å; I62-L103 HydrophobicContact CG1-CD2 4.09Å; P87-L103 HydrophobicContact CG-CD1 3.36Å; T99-L103 HydrophobicContact CG2-CD1 4.02Å; T99-L103 HydrophobicContact CG2-CG 4.43Å; T99-L103 WeakPolarHBondContact O-CB 3.46Å; T99-L103 WeakPolarHBondContact O-CG 3.46Å; T99-L103 PolarHBondContact O-N 2.92Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.35Å; L103-G106 PolarHBondContact O-N 3.41Å; L103-V107 WeakPolarHBondContact O-CG2 3.32Å; L103-V107 PolarHBondContact O-N 3.18Å
104	S	97	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.7	-35.4	177.4	-174.7	0	0	0	0	112.1	Y100 A108 T154 N184 R188	Y100-S104 VanDerWaalsContact O-CB 3.32Å; Y100-S104 WeakPolarHBondContact O-CB 3.46Å; Y100-S104 PolarHBondContact O-N 2.57Å; S104-A108 VanDerWaalsContact O-CB 3.3Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 3.3Å; S104-T154 WeakPolarHBondContact O-CG2 3.46Å; S104-N184 WeakPolarHBondContact CB-O 3.47Å; S104-N184 PolarHBondContact OG-O 3Å; S104-R188 VanDerWaalsContact OG-CG 3.32Å; S104-R188 WeakPolarHBondContact OG-CG 3.42Å; S104-R188 PolarHBondContact OG-NH1 2.87Å; S104-R188 VanDerWaalsContact OG-NH1 3.14Å
105	A	97.9	Very high	96.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-68	-49.9	172.2	0	0	0	0	0	111.9	A101 M102 L103 V107 A108 H109 I191 L223 L227	A101-A105 VanDerWaalsContact O-CB 3.25Å; A101-A105 WeakPolarHBondContact O-CB 3.46Å; A101-A105 PolarHBondContact O-N 3.07Å; M102-A105 PolarHBondContact O-N 3.29Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.35Å; A105-V107 PolarHBondContact O-N 2.77Å; A105-A108 PolarHBondContact O-N 2.79Å; A105-H109 WeakPolarHBondContact O-CB 3.22Å; A105-H109 PolarHBondContact O-N 3.21Å; A105-I191 HydrophobicContact CB-CD1 3.86Å; A105-I191 HydrophobicContact CB-CG1 4.28Å; A105-I191 WeakPolarHBondContact O-CD1 3.32Å; A105-L223 HydrophobicContact CB-CD1 4.48Å; A105-L227 HydrophobicContact CB-CD1 4.27Å
106	G	97.5	Very high	96.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.8	-46.1	-177.5	0	0	0	0	0	113.1	M102 L103 H109 E110	M102-G106 PolarHBondContact O-N 3.14Å; L103-G106 PolarHBondContact O-N 3.41Å; G106-H109 WeakPolarHBondContact O-CB 3.35Å; G106-H109 PolarHBondContact O-N 2.82Å; G106-E110 PolarHBondContact O-N 2.72Å
107	V	97.3	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.3	-47.5	176.2	177.9	0	0	0	0	111	V54 V58 L103 A105 H109 E110 I111 T154 I158	V54-V107 HydrophobicContact CB-CG1 4.44Å; V54-V107 HydrophobicContact CG1-CG1 4.25Å; V54-V107 HydrophobicContact CG1-CG2 4.37Å; V54-V107 HydrophobicContact CG2-CG1 4.05Å; V58-V107 HydrophobicContact CG2-CG2 3.79Å; L103-V107 WeakPolarHBondContact O-CG2 3.32Å; L103-V107 PolarHBondContact O-N 3.18Å; A105-V107 PolarHBondContact O-N 2.77Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.34Å; V107-E110 PolarHBondContact O-N 3.18Å; V107-I111 HydrophobicContact CG1-CG1 4.28Å; V107-I111 WeakPolarHBondContact O-CB 3.45Å; V107-I111 VanDerWaalsContact O-CG1 3.23Å; V107-I111 WeakPolarHBondContact O-CG1 3.42Å; V107-I111 PolarHBondContact O-N 3.43Å; V107-T154 HydrophobicContact CB-CG2 3.93Å; V107-T154 HydrophobicContact CG1-CG2 3.94Å; V107-I158 HydrophobicContact CB-CD1 4.12Å; V107-I158 HydrophobicContact CG1-CD1 4.49Å; V107-I158 HydrophobicContact CG2-CD1 4.15Å
108	A	98.4	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-38.6	178.2	0	0	0	0	0	112.1	S104 A105 S112 T154 R188 I191	S104-A108 VanDerWaalsContact O-CB 3.3Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 3.3Å; A105-A108 PolarHBondContact O-N 2.79Å; A108-S112 VanDerWaalsContact O-CB 3.28Å; A108-S112 WeakPolarHBondContact O-CB 3.15Å; A108-S112 PolarHBondContact O-N 2.79Å; A108-S112 PolarHBondContact O-OG 3.39Å; A108-T154 WeakPolarHBondContact CA-OG1 3.36Å; A108-T154 HydrophobicContact CB-CG2 4.14Å; A108-T154 PolarHBondContact N-OG1 2.72Å; A108-R188 HydrophobicContact CB-CG 4.4Å; A108-I191 HydrophobicContact CB-CD1 3.8Å
109	H	98.4	Very high	97.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-50.3	178.1	170.7	-87.7	0	0	0	112.1	A105 G106 V107 S112 R113 I191 P218 L223	A105-H109 WeakPolarHBondContact O-CB 3.22Å; A105-H109 PolarHBondContact O-N 3.21Å; G106-H109 WeakPolarHBondContact O-CB 3.35Å; G106-H109 PolarHBondContact O-N 2.82Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.34Å; H109-S112 PolarHBondContact O-N 2.92Å; H109-R113 PolarHBondContact CE1-NE 3.22Å; H109-R113 PolarHBondContact CE1-NH2 2.92Å; H109-R113 VanDerWaalsContact CE1-NH2 3.34Å; H109-R113 PolarHBondContact NE2-NE 2.8Å; H109-R113 PolarHBondContact NE2-NH2 2.86Å; H109-R113 WeakPolarHBondContact O-CG 3.38Å; H109-R113 PolarHBondContact O-N 3.47Å; H109-R113 VanDerWaalsContact O-N 3.1Å; H109-I191 HydrophobicContact CB-CD1 4.14Å; H109-P218 PolarHBondContact CD2-O 3.38Å; H109-P218 VanDerWaalsContact CD2-O 3.3Å; H109-P218 PolarHBondContact NE2-O 2.9Å; H109-P218 VanDerWaalsContact NE2-O 3.14Å; H109-L223 HydrophobicContact CB-CD1 4.22Å
110	E	97.9	Very high	97.1	Very high	18 Å²	18	22.7 Å²	22.7	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-41.6	179.9	-67.7	-49.7	138.6	0	0	112.4	V53 F56 G57 N60 G106 V107 S112 R113 T114	V53-E110 HydrophobicContact CG1-CB 3.84Å; F56-E110 HydrophobicContact CD1-CB 4.49Å; F56-E110 HydrophobicContact CD1-CG 3.78Å; F56-E110 WeakPolarHBondContact CD1-OE2 3.5Å; F56-E110 HydrophobicContact CE1-CG 4.31Å; F56-E110 WeakPolarHBondContact CE1-OE2 3.36Å; G57-E110 VanDerWaalsContact CA-CG 3.47Å; N60-E110 PolarHBondContact ND2-OE1 3.26Å; G106-E110 PolarHBondContact O-N 2.72Å; V107-E110 PolarHBondContact O-N 3.18Å; E110-S112 VanDerWaalsContact C-N 3.35Å; E110-S112 PolarHBondContact O-N 2.89Å; E110-R113 PolarHBondContact O-N 3.15Å; E110-T114 WeakPolarHBondContact O-CB 3.46Å; E110-T114 PolarHBondContact O-N 3.31Å; E110-T114 PolarHBondContact O-OG1 3.26Å
111	I	98.2	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-45.9	175.5	-62.9	-73	0	0	0	110.3	H50 V53 V54 V107 R113 T114 C115 L120 Y149 F153	H50-I111 HydrophobicContact CB-CD1 4.12Å; V53-I111 HydrophobicContact CB-CD1 3.76Å; V53-I111 HydrophobicContact CG1-CD1 3.62Å; V53-I111 HydrophobicContact CG1-CG1 4.17Å; V54-I111 HydrophobicContact CG2-CD1 4.21Å; V107-I111 HydrophobicContact CG1-CG1 4.28Å; V107-I111 WeakPolarHBondContact O-CB 3.45Å; V107-I111 VanDerWaalsContact O-CG1 3.23Å; V107-I111 WeakPolarHBondContact O-CG1 3.42Å; V107-I111 PolarHBondContact O-N 3.43Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 3.41Å; I111-T114 PolarHBondContact O-N 3.43Å; I111-C115 PolarHBondContact O-N 2.87Å; I111-C115 PolarHBondContact O-SG 3.15Å; I111-L120 HydrophobicContact CD1-CD1 4.32Å; I111-L120 HydrophobicContact CG2-CD1 4.21Å; I111-Y149 HydrophobicContact CG2-CD1 3.89Å; I111-Y149 HydrophobicContact CG2-CE1 3.86Å; I111-F153 HydrophobicContact CD1-CD1 4.1Å; I111-F153 HydrophobicContact CD1-CE1 4.01Å; I111-F153 HydrophobicContact CG1-CD1 4.01Å; I111-F153 HydrophobicContact CG1-CE1 4.3Å; I111-F153 HydrophobicContact CG2-CB 4.49Å; I111-F153 HydrophobicContact CG2-CD1 4.36Å
112	S	98.2	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-41.2	179.8	-57	0	0	0	0	112.9	A108 H109 E110 R116 N146 I147	A108-S112 VanDerWaalsContact O-CB 3.28Å; A108-S112 WeakPolarHBondContact O-CB 3.15Å; A108-S112 PolarHBondContact O-N 2.79Å; A108-S112 PolarHBondContact O-OG 3.39Å; H109-S112 PolarHBondContact O-N 2.92Å; E110-S112 VanDerWaalsContact C-N 3.35Å; E110-S112 PolarHBondContact O-N 2.89Å; S112-R116 PolarHBondContact O-N 3.12Å; S112-N146 PolarHBondContact O-N 3.07Å; S112-N146 PolarHBondContact OG-O 3.24Å; S112-I147 WeakPolarHBondContact OG-CA 3.41Å
113	R	97.4	Very high	97.1	Very high	66 Å²	66	31.3 Å²	31.3	25%	0.249	18%	0.184	C	C	.	.	H	α-helix	trans	-72.4	-38.4	177.4	-73.4	-179.3	-179.7	-155.4	2.1	111.9	H109 E110 I111 C115 R116 L117 P218	H109-R113 PolarHBondContact CE1-NE 3.22Å; H109-R113 PolarHBondContact CE1-NH2 2.92Å; H109-R113 VanDerWaalsContact CE1-NH2 3.34Å; H109-R113 PolarHBondContact NE2-NE 2.8Å; H109-R113 PolarHBondContact NE2-NH2 2.86Å; H109-R113 WeakPolarHBondContact O-CG 3.38Å; H109-R113 PolarHBondContact O-N 3.47Å; H109-R113 VanDerWaalsContact O-N 3.1Å; E110-R113 PolarHBondContact O-N 3.15Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 3.41Å; R113-C115 VanDerWaalsContact C-N 3.35Å; R113-R116 VanDerWaalsContact O-CB 3.26Å; R113-R116 WeakPolarHBondContact O-CB 3.19Å; R113-R116 PolarHBondContact O-N 3.28Å; R113-R116 VanDerWaalsContact O-N 3.13Å; R113-L117 WeakPolarHBondContact O-CG 3.47Å; R113-L117 PolarHBondContact O-N 2.85Å; R113-P218 PolarHBondContact NH2-O 2.78Å
114	T	97.9	Very high	97.1	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	20%	0.197	C	C	.	.	H	α-helix	trans	-69.3	-36.1	-179.2	-52.9	0	0	0	0	111.2	V53 E110 I111 R116 L117 G118 L119 L120	V53-T114 HydrophobicContact CG1-CG2 4.45Å; V53-T114 VanDerWaalsContact CG1-OG1 3.31Å; V53-T114 WeakPolarHBondContact CG1-OG1 3.31Å; V53-T114 HydrophobicContact CG2-CG2 3.83Å; E110-T114 WeakPolarHBondContact O-CB 3.46Å; E110-T114 PolarHBondContact O-N 3.31Å; E110-T114 PolarHBondContact O-OG1 3.26Å; I111-T114 PolarHBondContact O-N 3.43Å; T114-R116 VanDerWaalsContact C-N 3.3Å; T114-R116 PolarHBondContact O-N 2.94Å; T114-L117 PolarHBondContact O-N 2.98Å; T114-G118 PolarHBondContact O-N 2.88Å; T114-L119 HydrophobicContact CG2-CB 3.65Å; T114-L119 HydrophobicContact CG2-CD1 4.24Å; T114-L119 PolarHBondContact O-N 3.19Å; T114-L120 HydrophobicContact CG2-CD1 4.09Å; T114-L120 HydrophobicContact CG2-CD2 4.39Å; T114-L120 HydrophobicContact CG2-CG 3.83Å
115	C	98	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-41	168.2	-66.3	0	0	0	0	112.7	I111 R113 L117 G118 C123 G124 N146 Y149	I111-C115 PolarHBondContact O-N 2.87Å; I111-C115 PolarHBondContact O-SG 3.15Å; R113-C115 VanDerWaalsContact C-N 3.35Å; C115-L117 PolarHBondContact O-N 3.4Å; C115-G118 PolarHBondContact O-N 3.16Å; C115-G118 VanDerWaalsContact O-N 3.13Å; C115-C123 WeakPolarHBondContact CA-SG 3.16Å; C115-C123 HydrophobicContact CB-CB 3.81Å; C115-C123 WeakPolarHBondContact CB-SG 3.07Å; C115-C123 WeakPolarHBondContact SG-CB 3.49Å; C115-C123 CovalentContact SG-SG 2.02Å; C115-C123 PolarHBondContact SG-SG 3.05Å; C115-G124 CarbonylContact O-C 3.52Å; C115-N146 HydrophobicContact CB-CB 3.79Å; C115-Y149 WeakPolarHBondContact SG-CD1 3.3Å
116	R	96.6	Very high	96.8	Very high	69 Å²	69	36.1 Å²	36.1	26%	0.26	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-32.8	175.3	-174.3	-166.1	69.4	-162.6	10.7	112.2	S112 R113 T114 G118 C143 D145	S112-R116 PolarHBondContact O-N 3.12Å; R113-R116 VanDerWaalsContact O-CB 3.26Å; R113-R116 WeakPolarHBondContact O-CB 3.19Å; R113-R116 PolarHBondContact O-N 3.28Å; R113-R116 VanDerWaalsContact O-N 3.13Å; T114-R116 VanDerWaalsContact C-N 3.3Å; T114-R116 PolarHBondContact O-N 2.94Å; R116-G118 PolarHBondContact O-N 3.42Å; R116-C143 WeakPolarHBondContact CD-O 3.38Å; R116-C143 HydrophobicContact CG-CB 4.02Å; R116-C143 WeakPolarHBondContact CG-O 3.42Å; R116-C143 VanDerWaalsContact CG-SG 3.56Å; R116-C143 PolarHBondContact O-SG 2.97Å; R116-D145 VanDerWaalsContact CD-OD1 3.24Å; R116-D145 WeakPolarHBondContact CD-OD1 3.33Å; R116-D145 IonicContact CZ-OD1 3.41Å; R116-D145 IonicContact NE-OD1 3.59Å; R116-D145 PolarHBondContact NE-OD1 3.26Å; R116-D145 IonicContact NH1-OD1 3.94Å; R116-D145 PolarHBondContact NH1-OD1 3.4Å; R116-D145 IonicContact NH1-OD2 3.37Å
117	L	96.3	Very high	96.5	Very high	104 Å²	104	44.4 Å²	44.4	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.6	178.7	-62.1	175.5	0	0	0	112.9	R113 T114 C115 L119	R113-L117 WeakPolarHBondContact O-CG 3.47Å; R113-L117 PolarHBondContact O-N 2.85Å; T114-L117 PolarHBondContact O-N 2.98Å; C115-L117 PolarHBondContact O-N 3.4Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 HydrophobicContact CB-CD1 3.88Å; L117-L119 HydrophobicContact CB-CG 3.86Å; L117-L119 HydrophobicContact CD1-CD1 4.04Å; L117-L119 PolarHBondContact O-N 3.4Å
118	G	96	Very high	96.2	Very high	58 Å²	58	48.5 Å²	48.5	60%	0.598	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	24.1	-177.6	0	0	0	0	0	113.6	T114 C115 R116	T114-G118 PolarHBondContact O-N 2.88Å; C115-G118 PolarHBondContact O-N 3.16Å; C115-G118 VanDerWaalsContact O-N 3.13Å; R116-G118 PolarHBondContact O-N 3.42Å
119	L	96.1	Very high	96	Very high	124 Å²	124	57.8 Å²	57.8	65%	0.649	32%	0.318	S	S	*	.			trans	-93.8	-2.3	-176.3	-63.6	175	0	0	0	113.8	T114 L117	T114-L119 HydrophobicContact CG2-CB 3.65Å; T114-L119 HydrophobicContact CG2-CD1 4.24Å; T114-L119 PolarHBondContact O-N 3.19Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 HydrophobicContact CB-CD1 3.88Å; L117-L119 HydrophobicContact CB-CG 3.86Å; L117-L119 HydrophobicContact CD1-CD1 4.04Å; L117-L119 PolarHBondContact O-N 3.4Å
120	L	96.7	Very high	95.8	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.047	33%	0.334	C	S	.	.	S	Bend	trans	-117.5	136.8	177.2	-66.4	174.4	0	0	0	109	D49 V53 I111 T114 S122 C123	D49-L120 HydrophobicContact CB-CD2 4.38Å; D49-L120 VanDerWaalsContact O-CD2 3.28Å; D49-L120 WeakPolarHBondContact O-CD2 3.28Å; D49-L120 WeakPolarHBondContact OD2-CA 3.42Å; V53-L120 HydrophobicContact CG2-CD2 4.07Å; I111-L120 HydrophobicContact CD1-CD1 4.32Å; I111-L120 HydrophobicContact CG2-CD1 4.21Å; T114-L120 HydrophobicContact CG2-CD1 4.09Å; T114-L120 HydrophobicContact CG2-CD2 4.39Å; T114-L120 HydrophobicContact CG2-CG 3.83Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.42Å; L120-C123 VanDerWaalsContact CB-SG 3.56Å
121	S	95	Very high	95.6	Very high	105 Å²	105	62.1 Å²	62.1	73%	0.734	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.5	-174.1	59	0	0	0	0	113.2	D49	D49-S121 PolarHBondContact OD2-N 3.2Å; D49-S121 PolarHBondContact OD2-OG 2.64Å
122	S	95.3	Very high	95.3	Very high	59 Å²	59	68.6 Å²	68.6	41%	0.413	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	1.5	-169.1	-56.7	0	0	0	0	114.2	L120 Y149	L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.42Å; S122-Y149 WeakPolarHBondContact CB-OH 3.47Å
123	C	97.1	Very high	95.1	Very high	20 Å²	20	75.1 Å²	75.1	14%	0.135	41%	0.414	C	S	.	.			trans	-147.2	158.7	178.4	61.4	0	0	0	0	112.4	C115 L120 Y149	C115-C123 WeakPolarHBondContact CA-SG 3.16Å; C115-C123 HydrophobicContact CB-CB 3.81Å; C115-C123 WeakPolarHBondContact CB-SG 3.07Å; C115-C123 WeakPolarHBondContact SG-CB 3.49Å; C115-C123 CovalentContact SG-SG 2.02Å; C115-C123 PolarHBondContact SG-SG 3.05Å; L120-C123 VanDerWaalsContact CB-SG 3.56Å; C123-Y149 HydrophobicContact CB-CD1 3.55Å; C123-Y149 HydrophobicContact CB-CD2 3.84Å; C123-Y149 HydrophobicContact CB-CE1 3.58Å; C123-Y149 HydrophobicContact CB-CE2 3.86Å; C123-Y149 HydrophobicContact CB-CG 3.68Å; C123-Y149 VanDerWaalsContact SG-CE1 3.58Å
124	G	95.8	Very high	94.8	Very high	30 Å²	30	72.7 Å²	72.7	31%	0.309	41%	0.406	S	S	.	.			trans	-132.5	-154.8	172.1	0	0	0	0	0	111.7	C115 N146	C115-G124 CarbonylContact O-C 3.52Å; G124-N146 VanDerWaalsContact O-CB 3.27Å; G124-N146 WeakPolarHBondContact O-CB 3.34Å; G124-N146 PolarHBondContact O-ND2 2.85Å
125	C	95.3	Very high	94.5	Very high	52 Å²	52	77 Å²	77	35%	0.351	43%	0.425	S	S	.	.	S	Bend	trans	-55.3	158	176.4	-54.1	0	0	0	0	113.1	Q127 C143	C125-Q127 PolarHBondContact O-N 3.29Å; C125-C143 VanDerWaalsContact CA-SG 3.52Å; C125-C143 HydrophobicContact CB-CB 3.99Å; C125-C143 WeakPolarHBondContact CB-SG 3.3Å; C125-C143 WeakPolarHBondContact SG-CB 3.35Å; C125-C143 CovalentContact SG-SG 2.02Å; C125-C143 PolarHBondContact SG-SG 3.06Å
126	N	93.8	Very high	94.1	Very high	26 Å²	26	88.7 Å²	88.7	14%	0.139	47%	0.469	C	S	.	.			trans	-52.6	133.7	169	-172.5	27.2	0	0	0	112.3	E128 G144 D145 K215	N126-E128 WeakPolarHBondContact OD1-CG 3.35Å; N126-E128 PolarHBondContact OD1-N 3.34Å; N126-G144 PolarHBondContact N-O 3Å; N126-D145 WeakPolarHBondContact CB-O 3.45Å; N126-K215 WeakPolarHBondContact ND2-CB 3.41Å
127	Q	90.9	Very high	93.7	Very high	174 Å²	174	89 Å²	89	81%	0.813	48%	0.482	S	S	*	.			trans	-108.6	7.7	179.3	-61	-178.9	-1.5	0	0	113	C125	C125-Q127 PolarHBondContact O-N 3.29Å
128	E	91.4	Very high	93.5	Very high	85 Å²	85	86.8 Å²	86.8	40%	0.397	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-59.5	141.3	176	-71	176.5	-179.9	0	0	111.6	N126 W140 K215	N126-E128 WeakPolarHBondContact OD1-CG 3.35Å; N126-E128 PolarHBondContact OD1-N 3.34Å; E128-W140 PolarHBondContact O-NE1 2.8Å; E128-K215 WeakPolarHBondContact OE2-CE 3.46Å
129	K	93.1	Very high	93.4	Very high	195 Å²	195	88 Å²	88	85%	0.848	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-62.6	154.1	175.5	-64.7	-176.9	-179.1	-179.6	0	110.4
130	R	94	Very high	93.3	Very high	85 Å²	85	85 Å²	85	32%	0.321	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-48	128.5	172.4	176.7	-175.5	-178.2	91.4	1.8	110.7	L134 Q135 W138 W140	R130-L134 HydrophobicContact CG-CB 4.49Å; R130-L134 HydrophobicContact CG-CD2 4.26Å; R130-L134 PolarHBondContact NH2-O 3.49Å; R130-Q135 VanDerWaalsContact NH2-C 3.31Å; R130-Q135 PolarHBondContact NH2-O 2.89Å; R130-W138 VanDerWaalsContact CZ-O 3.3Å; R130-W138 PolarHBondContact NH1-O 3.07Å; R130-W138 PolarHBondContact NH2-O 3.33Å; R130-W140 HydrophobicContact CB-CB 3.88Å; R130-W140 HydrophobicContact CB-CD2 4.43Å; R130-W140 HydrophobicContact CB-CG 3.78Å; R130-W140 HydrophobicContact CG-CB 3.83Å; R130-W140 HydrophobicContact CG-CG 4.14Å
131	P	93.8	Very high	93.1	Very high	25 Å²	25	85.7 Å²	85.7	16%	0.162	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-60.8	134.6	173.2	-24.2	34.8	0	0	0	111.7	D133 L134 W140 V197	P131-D133 WeakPolarHBondContact CB-OD1 3.32Å; P131-D133 PolarHBondContact O-N 3.12Å; P131-L134 HydrophobicContact CB-CB 4.36Å; P131-L134 VanDerWaalsContact O-CB 3.27Å; P131-L134 WeakPolarHBondContact O-CB 3.44Å; P131-L134 PolarHBondContact O-N 3.28Å; P131-L134 VanDerWaalsContact O-N 3.15Å; P131-W140 HydrophobicContact CG-CE3 4.45Å; P131-W140 HydrophobicContact CG-CH2 4.06Å; P131-W140 HydrophobicContact CG-CZ3 3.98Å; P131-V197 HydrophobicContact CG-CG2 3.8Å
132	P	92.9	Very high	92.9	Very high	136 Å²	136	83.7 Å²	83.7	88%	0.883	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.9	-174.8	26.6	-34.7	0	0	0	113.4	L134	P132-L134 VanDerWaalsContact C-N 3.3Å
133	D	93	Very high	92.9	Very high	138 Å²	138	82.8 Å²	82.8	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.1	177.8	60.6	-49.4	0	0	0	113.5	P131 Q135	P131-D133 WeakPolarHBondContact CB-OD1 3.32Å; P131-D133 PolarHBondContact O-N 3.12Å; D133-Q135 PolarHBondContact O-N 3.18Å
134	L	91.8	Very high	92.8	Very high	14 Å²	14	82 Å²	82	7%	0.073	44%	0.436	C	S	.	.	S	Bend	trans	-73.5	122.5	-178.7	-167.5	65.2	0	0	0	111.4	R130 P131 P132 R136 W138 W140 V197 C213	R130-L134 HydrophobicContact CG-CB 4.49Å; R130-L134 HydrophobicContact CG-CD2 4.26Å; R130-L134 PolarHBondContact NH2-O 3.49Å; P131-L134 HydrophobicContact CB-CB 4.36Å; P131-L134 VanDerWaalsContact O-CB 3.27Å; P131-L134 WeakPolarHBondContact O-CB 3.44Å; P131-L134 PolarHBondContact O-N 3.28Å; P131-L134 VanDerWaalsContact O-N 3.15Å; P132-L134 VanDerWaalsContact C-N 3.3Å; L134-R136 PolarHBondContact O-N 2.98Å; L134-W138 HydrophobicContact CD1-CD2 4.44Å; L134-W138 HydrophobicContact CD1-CE3 3.46Å; L134-W138 VanDerWaalsContact CD1-CE3 3.46Å; L134-W138 HydrophobicContact CD1-CZ3 3.97Å; L134-W138 HydrophobicContact CG-CE3 4.32Å; L134-W140 HydrophobicContact CD2-CB 4.31Å; L134-W140 HydrophobicContact CD2-CE3 3.77Å; L134-V197 HydrophobicContact CD1-CG1 3.84Å; L134-C213 HydrophobicContact CD1-CB 4.5Å; L134-C213 HydrophobicContact CD2-CB 4.24Å
135	Q	91.1	Very high	92.9	Very high	107 Å²	107	80.5 Å²	80.5	50%	0.5	42%	0.421	S	S	.	.			trans	-48	127.1	179.9	-64.2	-171.2	11.5	0	0	112	R130 D133 S137 W138	R130-Q135 VanDerWaalsContact NH2-C 3.31Å; R130-Q135 PolarHBondContact NH2-O 2.89Å; D133-Q135 PolarHBondContact O-N 3.18Å; Q135-S137 PolarHBondContact O-N 3.02Å; Q135-W138 HydrophobicContact CB-CD2 3.8Å; Q135-W138 HydrophobicContact CB-CE3 4.45Å; Q135-W138 HydrophobicContact CB-CG 4.01Å; Q135-W138 HydrophobicContact CB-CZ2 4.17Å; Q135-W138 HydrophobicContact CG-CD2 4.28Å; Q135-W138 HydrophobicContact CG-CH2 4.22Å; Q135-W138 HydrophobicContact CG-CZ2 3.78Å; Q135-W138 VanDerWaalsContact NE2-CZ2 3.27Å; Q135-W138 WeakPolarHBondContact O-CB 3.33Å; Q135-W138 PolarHBondContact O-N 3.28Å
136	R	89.4	Confident	93.1	Very high	247 Å²	247	78.8 Å²	78.8	93%	0.932	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.8	-172.1	-68.5	-178	179.8	175.4	-0.3	114	L134 W138	L134-R136 PolarHBondContact O-N 2.98Å; R136-W138 VanDerWaalsContact C-N 3.26Å; R136-W138 PolarHBondContact O-N 3.39Å
137	S	89.4	Confident	93.2	Very high	76 Å²	76	77.7 Å²	77.7	53%	0.531	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.7	178.7	53	0	0	0	0	113.9	Q135	Q135-S137 PolarHBondContact O-N 3.02Å
138	W	92.1	Very high	93.5	Very high	57 Å²	57	74.5 Å²	74.5	22%	0.216	39%	0.387	C	S	.	.	S	Bend	trans	-87.8	134.6	-179	-52.8	-4.3	0	0	0	109.2	R130 L134 Q135 R136 K211	R130-W138 VanDerWaalsContact CZ-O 3.3Å; R130-W138 PolarHBondContact NH1-O 3.07Å; R130-W138 PolarHBondContact NH2-O 3.33Å; L134-W138 HydrophobicContact CD1-CD2 4.44Å; L134-W138 HydrophobicContact CD1-CE3 3.46Å; L134-W138 VanDerWaalsContact CD1-CE3 3.46Å; L134-W138 HydrophobicContact CD1-CZ3 3.97Å; L134-W138 HydrophobicContact CG-CE3 4.32Å; Q135-W138 HydrophobicContact CB-CD2 3.8Å; Q135-W138 HydrophobicContact CB-CE3 4.45Å; Q135-W138 HydrophobicContact CB-CG 4.01Å; Q135-W138 HydrophobicContact CB-CZ2 4.17Å; Q135-W138 HydrophobicContact CG-CD2 4.28Å; Q135-W138 HydrophobicContact CG-CH2 4.22Å; Q135-W138 HydrophobicContact CG-CZ2 3.78Å; Q135-W138 VanDerWaalsContact NE2-CZ2 3.27Å; Q135-W138 WeakPolarHBondContact O-CB 3.33Å; Q135-W138 PolarHBondContact O-N 3.28Å; R136-W138 VanDerWaalsContact C-N 3.26Å; R136-W138 PolarHBondContact O-N 3.39Å; W138-K211 HydrophobicContact CB-CG 4.25Å; W138-K211 HydrophobicContact CD2-CD 4.23Å; W138-K211 HydrophobicContact CD2-CG 4.3Å; W138-K211 HydrophobicContact CG-CD 4.36Å; W138-K211 VanDerWaalsContact CG-CE 3.42Å; W138-K211 HydrophobicContact CG-CG 3.92Å; W138-K211 VanDerWaalsContact NE1-CE 3.29Å
139	V	93.2	Very high	93.8	Very high	83 Å²	83	72.1 Å²	72.1	50%	0.503	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130	-179.7	179.6	0	0	0	0	109.2	K211 T212 C213	V139-K211 PolarHBondContact N-O 3.48Å; V139-T212 CarbonylContact O-C 3.55Å; V139-T212 WeakPolarHBondContact O-CA 3.26Å; V139-C213 PolarHBondContact O-N 2.95Å
140	W	94.9	Very high	94.1	Very high	61 Å²	61	62.8 Å²	62.8	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.1	167.5	-178.8	-109.5	0	0	0	107.9	E128 R130 P131 L134 V197 C213 K215	E128-W140 PolarHBondContact O-NE1 2.8Å; R130-W140 HydrophobicContact CB-CB 3.88Å; R130-W140 HydrophobicContact CB-CD2 4.43Å; R130-W140 HydrophobicContact CB-CG 3.78Å; R130-W140 HydrophobicContact CG-CB 3.83Å; R130-W140 HydrophobicContact CG-CG 4.14Å; P131-W140 HydrophobicContact CG-CE3 4.45Å; P131-W140 HydrophobicContact CG-CH2 4.06Å; P131-W140 HydrophobicContact CG-CZ3 3.98Å; L134-W140 HydrophobicContact CD2-CB 4.31Å; L134-W140 HydrophobicContact CD2-CE3 3.77Å; W140-V197 HydrophobicContact CZ3-CG1 4.06Å; W140-V197 HydrophobicContact CZ3-CG2 4.1Å; W140-C213 HydrophobicContact CE3-CB 4.42Å; W140-C213 VanDerWaalsContact CE3-O 3.25Å; W140-K215 HydrophobicContact CH2-CB 4.01Å
141	G	91.7	Very high	94.3	Very high	24 Å²	24	58.8 Å²	58.8	25%	0.247	32%	0.319	C	S	.	.			trans	174.7	-166.4	-173.5	0	0	0	0	0	112.4	T212 C213 W214	G141-T212 VanDerWaalsContact C-CG2 3.46Å; G141-C213 PolarHBondContact N-O 3.45Å; G141-C213 CarbonylContact O-C 3.49Å; G141-W214 WeakPolarHBondContact O-CB 3.42Å
142	G	90.7	Very high	94.4	Very high	64 Å²	64	62 Å²	62	66%	0.66	33%	0.332	S	S	*	.	S	Bend	trans	74.5	-168.9	-165.8	0	0	0	0	0	111.4
143	C	95.1	Very high	94.7	Very high	39 Å²	39	56 Å²	56	26%	0.264	29%	0.292	S	S	.	.			trans	-109.8	108	179.9	-167	0	0	0	0	109.3	R116 C125	R116-C143 WeakPolarHBondContact CD-O 3.38Å; R116-C143 HydrophobicContact CG-CB 4.02Å; R116-C143 WeakPolarHBondContact CG-O 3.42Å; R116-C143 VanDerWaalsContact CG-SG 3.56Å; R116-C143 PolarHBondContact O-SG 2.97Å; C125-C143 VanDerWaalsContact CA-SG 3.52Å; C125-C143 HydrophobicContact CB-CB 3.99Å; C125-C143 WeakPolarHBondContact CB-SG 3.3Å; C125-C143 WeakPolarHBondContact SG-CB 3.35Å; C125-C143 CovalentContact SG-SG 2.02Å; C125-C143 PolarHBondContact SG-SG 3.06Å
144	G	96.2	Very high	94.9	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.031	26%	0.257	C	S	.	.			trans	-89.8	163	175.2	0	0	0	0	0	113.1	N126 N146 K215	N126-G144 PolarHBondContact N-O 3Å; G144-N146 PolarHBondContact O-N 3.37Å; G144-K215 CarbonylContact C-O 3.21Å; G144-K215 WeakPolarHBondContact CA-O 3.42Å
145	D	97.8	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.			trans	-62.4	127.5	175.2	-61.5	-34.4	0	0	0	110.2	R116 N126 I147 K215 Q216 A217	R116-D145 VanDerWaalsContact CD-OD1 3.24Å; R116-D145 WeakPolarHBondContact CD-OD1 3.33Å; R116-D145 IonicContact CZ-OD1 3.41Å; R116-D145 IonicContact NE-OD1 3.59Å; R116-D145 PolarHBondContact NE-OD1 3.26Å; R116-D145 IonicContact NH1-OD1 3.94Å; R116-D145 PolarHBondContact NH1-OD1 3.4Å; R116-D145 IonicContact NH1-OD2 3.37Å; N126-D145 WeakPolarHBondContact CB-O 3.45Å; D145-I147 HydrophobicContact CB-CG1 4.08Å; D145-I147 PolarHBondContact O-N 3.49Å; D145-K215 PolarHBondContact N-O 3.24Å; D145-Q216 WeakPolarHBondContact OD2-CA 2.95Å; D145-Q216 WeakPolarHBondContact OD2-CG 3.21Å; D145-A217 HydrophobicContact CB-CB 4.39Å; D145-A217 PolarHBondContact OD2-N 2.77Å
146	N	97.8	Very high	95.4	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	27%	0.265	C	S	.	.			trans	-83.3	69.9	-178.2	-165.6	-18.1	0	0	0	111.3	S112 C115 G124 G144 H148 Y149 G150	S112-N146 PolarHBondContact O-N 3.07Å; S112-N146 PolarHBondContact OG-O 3.24Å; C115-N146 HydrophobicContact CB-CB 3.79Å; G124-N146 VanDerWaalsContact O-CB 3.27Å; G124-N146 WeakPolarHBondContact O-CB 3.34Å; G124-N146 PolarHBondContact O-ND2 2.85Å; G144-N146 PolarHBondContact O-N 3.37Å; N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-N 2.97Å; N146-Y149 VanDerWaalsContact CG-CB 3.48Å; N146-Y149 PolarHBondContact O-N 2.99Å; N146-Y149 VanDerWaalsContact OD1-CB 3.27Å; N146-Y149 WeakPolarHBondContact OD1-CB 3.46Å; N146-Y149 PolarHBondContact OD1-N 3.08Å; N146-G150 PolarHBondContact O-N 3.41Å
147	I	97.4	Very high	95.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-36.2	-173	-60.3	174.5	0	0	0	112	S112 D145 C151 I191 K192 K215 A217	S112-I147 WeakPolarHBondContact OG-CA 3.41Å; D145-I147 HydrophobicContact CB-CG1 4.08Å; D145-I147 PolarHBondContact O-N 3.49Å; I147-C151 WeakPolarHBondContact O-CB 3.4Å; I147-C151 PolarHBondContact O-N 3.42Å; I147-C151 PolarHBondContact O-SG 2.99Å; I147-C151 VanDerWaalsContact O-SG 3.37Å; I147-I191 HydrophobicContact CD1-CG2 4.37Å; I147-I191 HydrophobicContact CG1-CG2 4.41Å; I147-I191 HydrophobicContact CG2-CG2 3.7Å; I147-K192 HydrophobicContact CG2-CG 3.79Å; I147-K215 HydrophobicContact CD1-CG 4.2Å; I147-A217 HydrophobicContact CD1-CB 3.99Å; I147-A217 HydrophobicContact CG1-CB 4.29Å
148	H	97.1	Very high	95.8	Very high	107 Å²	107	35.2 Å²	35.2	50%	0.495	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-53.7	176.9	-177.5	-81.8	0	0	0	110.9	N146 C151 Q152	N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-N 2.97Å; H148-C151 PolarHBondContact O-N 3.34Å; H148-Q152 WeakPolarHBondContact O-CB 3.41Å; H148-Q152 PolarHBondContact O-N 3.4Å
149	Y	98	Very high	95.9	Very high	34 Å²	34	32.7 Å²	32.7	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-49.7	178	-179	-89.9	0	0	0	111.6	H50 I111 C115 S122 C123 N146 C151 Q152 F153	H50-Y149 PolarHBondContact CE1-OH 2.97Å; H50-Y149 AromaticContact NE2-CE1 3.44Å; H50-Y149 WeakPolarHBondContact NE2-CE1 3.28Å; H50-Y149 AromaticContact NE2-CZ 3.47Å; H50-Y149 PolarHBondContact NE2-OH 2.88Å; I111-Y149 HydrophobicContact CG2-CD1 3.89Å; I111-Y149 HydrophobicContact CG2-CE1 3.86Å; C115-Y149 WeakPolarHBondContact SG-CD1 3.3Å; S122-Y149 WeakPolarHBondContact CB-OH 3.47Å; C123-Y149 HydrophobicContact CB-CD1 3.55Å; C123-Y149 HydrophobicContact CB-CD2 3.84Å; C123-Y149 HydrophobicContact CB-CE1 3.58Å; C123-Y149 HydrophobicContact CB-CE2 3.86Å; C123-Y149 HydrophobicContact CB-CG 3.68Å; C123-Y149 VanDerWaalsContact SG-CE1 3.58Å; N146-Y149 VanDerWaalsContact CG-CB 3.48Å; N146-Y149 PolarHBondContact O-N 2.99Å; N146-Y149 VanDerWaalsContact OD1-CB 3.27Å; N146-Y149 WeakPolarHBondContact OD1-CB 3.46Å; N146-Y149 PolarHBondContact OD1-N 3.08Å; Y149-C151 VanDerWaalsContact C-N 3.34Å; Y149-C151 PolarHBondContact O-N 2.88Å; Y149-Q152 PolarHBondContact O-N 3.27Å; Y149-F153 HydrophobicContact CE1-CB 4.24Å; Y149-F153 WeakPolarHBondContact O-CB 2.91Å; Y149-F153 PolarHBondContact O-N 3.25Å
150	G	98	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-43.8	-178.4	0	0	0	0	0	112.7	N146 T154	N146-G150 PolarHBondContact O-N 3.41Å; G150-T154 WeakPolarHBondContact O-CB 3.48Å; G150-T154 PolarHBondContact O-N 2.91Å; G150-T154 PolarHBondContact O-OG1 3.03Å
151	C	98	Very high	95.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-37.6	174.2	-72.5	0	0	0	0	113.2	I147 H148 Y149 Q155 R188 K192	I147-C151 WeakPolarHBondContact O-CB 3.4Å; I147-C151 PolarHBondContact O-N 3.42Å; I147-C151 PolarHBondContact O-SG 2.99Å; I147-C151 VanDerWaalsContact O-SG 3.37Å; H148-C151 PolarHBondContact O-N 3.34Å; Y149-C151 VanDerWaalsContact C-N 3.34Å; Y149-C151 PolarHBondContact O-N 2.88Å; C151-Q155 VanDerWaalsContact O-CB 3.27Å; C151-Q155 WeakPolarHBondContact O-CB 3.35Å; C151-Q155 PolarHBondContact O-N 3Å; C151-R188 HydrophobicContact CB-CB 4.31Å; C151-R188 HydrophobicContact CB-CG 4.47Å; C151-R188 WeakPolarHBondContact O-CD 3.38Å; C151-K192 VanDerWaalsContact SG-CE 3.59Å
152	Q	97.7	Very high	95.4	Very high	93 Å²	93	26.9 Å²	26.9	44%	0.435	15%	0.151	S	C	.	.	H	α-helix	trans	-68.4	-49.5	-179.9	-178.1	-179.8	10.5	0	0	111.6	H148 Y149 T154 Q155 N156	H148-Q152 WeakPolarHBondContact O-CB 3.41Å; H148-Q152 PolarHBondContact O-N 3.4Å; Y149-Q152 PolarHBondContact O-N 3.27Å; Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 3.28Å; Q152-Q155 PolarHBondContact O-N 2.94Å; Q152-N156 PolarHBondContact O-N 3.34Å
153	F	97.9	Very high	95.4	Very high	10 Å²	10	30 Å²	30	4%	0.044	14%	0.143	C	C	.	.	H	α-helix	trans	-55.6	-49.5	174.7	175.5	-90.9	0	0	0	110.4	I43 F47 H50 M51 V54 I111 Y149 Q155 N156 F157	I43-F153 HydrophobicContact CG2-CE2 4.12Å; I43-F153 HydrophobicContact CG2-CZ 4.46Å; F47-F153 HydrophobicContact CB-CE2 3.7Å; F47-F153 HydrophobicContact CB-CZ 4.37Å; F47-F153 HydrophobicContact CD1-CE2 4.27Å; F47-F153 HydrophobicContact CD2-CE2 4.12Å; F47-F153 HydrophobicContact CG-CD2 4.37Å; F47-F153 AromaticContact CG-CE2 3.79Å; F47-F153 HydrophobicContact CG-CE2 3.79Å; H50-F153 HydrophobicContact CB-CE1 4.09Å; H50-F153 HydrophobicContact CB-CE2 3.92Å; H50-F153 HydrophobicContact CB-CZ 3.49Å; H50-F153 VanDerWaalsContact CB-CZ 3.49Å; H50-F153 AromaticContact CD2-CD2 3.65Å; H50-F153 AromaticContact CD2-CE2 3.53Å; H50-F153 AromaticContact CD2-CZ 3.81Å; H50-F153 AromaticContact CG-CE2 3.79Å; H50-F153 AromaticContact CG-CZ 3.87Å; M51-F153 HydrophobicContact CE-CZ 3.8Å; V54-F153 HydrophobicContact CG2-CE1 3.63Å; V54-F153 HydrophobicContact CG2-CZ 4.19Å; I111-F153 HydrophobicContact CD1-CD1 4.1Å; I111-F153 HydrophobicContact CD1-CE1 4.01Å; I111-F153 HydrophobicContact CG1-CD1 4.01Å; I111-F153 HydrophobicContact CG1-CE1 4.3Å; I111-F153 HydrophobicContact CG2-CB 4.49Å; I111-F153 HydrophobicContact CG2-CD1 4.36Å; Y149-F153 HydrophobicContact CE1-CB 4.24Å; Y149-F153 WeakPolarHBondContact O-CB 2.91Å; Y149-F153 PolarHBondContact O-N 3.25Å; F153-Q155 PolarHBondContact O-N 2.98Å; F153-N156 PolarHBondContact O-N 3.29Å; F153-N156 VanDerWaalsContact O-N 3.16Å; F153-F157 HydrophobicContact CE1-CB 4.22Å; F153-F157 HydrophobicContact CZ-CB 4.44Å; F153-F157 WeakPolarHBondContact O-CB 3.38Å; F153-F157 PolarHBondContact O-N 2.83Å
154	T	97.3	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-40.7	-179.6	-58.2	0	0	0	0	112.3	S104 V107 A108 G150 Q152 N156 F157 I158	S104-T154 WeakPolarHBondContact O-CG2 3.46Å; V107-T154 HydrophobicContact CB-CG2 3.93Å; V107-T154 HydrophobicContact CG1-CG2 3.94Å; A108-T154 WeakPolarHBondContact CA-OG1 3.36Å; A108-T154 HydrophobicContact CB-CG2 4.14Å; A108-T154 PolarHBondContact N-OG1 2.72Å; G150-T154 WeakPolarHBondContact O-CB 3.48Å; G150-T154 PolarHBondContact O-N 2.91Å; G150-T154 PolarHBondContact O-OG1 3.03Å; Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 3.28Å; T154-N156 VanDerWaalsContact C-N 3.32Å; T154-N156 PolarHBondContact O-N 3.17Å; T154-F157 PolarHBondContact O-N 3.07Å; T154-I158 HydrophobicContact CG2-CD1 3.31Å; T154-I158 HydrophobicContact CG2-CG1 3.78Å; T154-I158 VanDerWaalsContact O-CB 3.24Å; T154-I158 WeakPolarHBondContact O-CB 3.42Å; T154-I158 WeakPolarHBondContact O-CG1 3.27Å; T154-I158 PolarHBondContact O-N 2.69Å
155	Q	97.2	Very high	94.4	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-58.6	-45.8	174.3	176.8	172.9	32.7	0	0	111.5	C151 Q152 F153 D159	C151-Q155 VanDerWaalsContact O-CB 3.27Å; C151-Q155 WeakPolarHBondContact O-CB 3.35Å; C151-Q155 PolarHBondContact O-N 3Å; Q152-Q155 PolarHBondContact O-N 2.94Å; F153-Q155 PolarHBondContact O-N 2.98Å; Q155-D159 WeakPolarHBondContact O-CB 3.49Å; Q155-D159 PolarHBondContact O-N 3.21Å
156	N	96.1	Very high	93.7	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	21%	0.207	S	C	.	.	H	α-helix	trans	-68	-41.2	-179.8	-67.6	-19.3	0	0	0	111.7	I43 Q152 F153 T154 I160	I43-N156 HydrophobicContact CD1-CB 4.31Å; I43-N156 VanDerWaalsContact CD1-O 3.22Å; I43-N156 WeakPolarHBondContact CD1-O 3.07Å; Q152-N156 PolarHBondContact O-N 3.34Å; F153-N156 PolarHBondContact O-N 3.29Å; F153-N156 VanDerWaalsContact O-N 3.16Å; T154-N156 VanDerWaalsContact C-N 3.32Å; T154-N156 PolarHBondContact O-N 3.17Å; N156-I160 VanDerWaalsContact O-CB 3.27Å; N156-I160 WeakPolarHBondContact O-CB 3.37Å; N156-I160 WeakPolarHBondContact O-CG2 3.33Å
157	F	95	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-76.9	-40.2	-177.1	-173.5	-98.5	0	0	0	113.7	L36 Q40 I43 M51 V54 V85 F153 T154 I160	L36-F157 HydrophobicContact CD2-CZ 3.91Å; Q40-F157 HydrophobicContact CB-CD2 4.49Å; Q40-F157 HydrophobicContact CB-CE2 3.93Å; Q40-F157 HydrophobicContact CB-CZ 4.22Å; Q40-F157 HydrophobicContact CG-CE2 4.32Å; Q40-F157 HydrophobicContact CG-CZ 4.44Å; Q40-F157 WeakPolarHBondContact CG-O 3.39Å; Q40-F157 PolarHBondContact NE2-O 2.87Å; I43-F157 HydrophobicContact CB-CD2 4.02Å; I43-F157 HydrophobicContact CG2-CB 4.46Å; I43-F157 HydrophobicContact CG2-CD2 3.74Å; M51-F157 HydrophobicContact CE-CD2 4.2Å; M51-F157 HydrophobicContact CE-CE2 3.84Å; M51-F157 HydrophobicContact CE-CZ 4.34Å; M51-F157 HydrophobicContact SD-CE2 3.86Å; M51-F157 HydrophobicContact SD-CZ 4Å; V54-F157 HydrophobicContact CG1-CD1 4.14Å; V54-F157 HydrophobicContact CG1-CE1 3.66Å; V54-F157 HydrophobicContact CG1-CZ 4.36Å; V85-F157 HydrophobicContact CG2-CD1 4.13Å; V85-F157 HydrophobicContact CG2-CE1 3.72Å; F153-F157 HydrophobicContact CE1-CB 4.22Å; F153-F157 HydrophobicContact CZ-CB 4.44Å; F153-F157 WeakPolarHBondContact O-CB 3.38Å; F153-F157 PolarHBondContact O-N 2.83Å; T154-F157 PolarHBondContact O-N 3.07Å; F157-I160 WeakPolarHBondContact O-CG2 3.24Å
158	I	93.6	Very high	93	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-84.8	-45.5	-176.6	-60.3	-168.2	0	0	0	111.1	V85 V107 T154 I160 C161 N184	V85-I158 HydrophobicContact CB-CG1 4.33Å; V85-I158 HydrophobicContact CB-CG2 4.34Å; V85-I158 HydrophobicContact CG1-CB 4Å; V85-I158 HydrophobicContact CG1-CD1 3.64Å; V85-I158 HydrophobicContact CG1-CG1 3.64Å; V85-I158 HydrophobicContact CG1-CG2 3.49Å; V85-I158 VanDerWaalsContact CG1-CG2 3.49Å; V85-I158 HydrophobicContact CG2-CG1 4.25Å; V107-I158 HydrophobicContact CB-CD1 4.12Å; V107-I158 HydrophobicContact CG1-CD1 4.49Å; V107-I158 HydrophobicContact CG2-CD1 4.15Å; T154-I158 HydrophobicContact CG2-CD1 3.31Å; T154-I158 HydrophobicContact CG2-CG1 3.78Å; T154-I158 VanDerWaalsContact O-CB 3.24Å; T154-I158 WeakPolarHBondContact O-CB 3.42Å; T154-I158 WeakPolarHBondContact O-CG1 3.27Å; T154-I158 PolarHBondContact O-N 2.69Å; I158-I160 VanDerWaalsContact C-N 3.27Å; I158-I160 PolarHBondContact O-N 2.87Å; I158-C161 PolarHBondContact O-SG 3.05Å; I158-N184 WeakPolarHBondContact CG2-ND2 3.48Å
159	D	93.8	Very high	92.7	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-77.2	-14	-172.6	-60.4	-4.9	0	0	0	112.5	Q155 C161 E162 R163 N184 R188	Q155-D159 WeakPolarHBondContact O-CB 3.49Å; Q155-D159 PolarHBondContact O-N 3.21Å; D159-C161 PolarHBondContact O-N 2.77Å; D159-E162 PolarHBondContact O-N 2.8Å; D159-R163 VanDerWaalsContact O-CG 3.31Å; D159-R163 WeakPolarHBondContact O-CG 3.17Å; D159-R163 PolarHBondContact O-N 3.46Å; D159-R163 IonicContact OD2-NH2 3.05Å; D159-N184 WeakPolarHBondContact OD1-CB 3.42Å; D159-N184 PolarHBondContact OD1-ND2 2.9Å; D159-N184 VanDerWaalsContact OD1-ND2 3.12Å; D159-R188 IonicContact OD1-CZ 3.96Å; D159-R188 IonicContact OD1-NH1 3.94Å; D159-R188 PolarHBondContact OD1-NH1 3.36Å; D159-R188 IonicContact OD1-NH2 2.85Å; D159-R188 IonicContact OD2-CZ 3.03Å; D159-R188 IonicContact OD2-NH1 3.37Å; D159-R188 IonicContact OD2-NH2 3.72Å; D159-R188 PolarHBondContact OD2-NH2 3.43Å
160	I	92.7	Very high	92.2	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.185	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-40	-179.9	-165.7	160.5	0	0	0	111.7	Q40 I43 N156 F157 I158 E162 R163 E164	Q40-I160 HydrophobicContact CG-CG2 3.51Å; I43-I160 HydrophobicContact CD1-CD1 3.99Å; I43-I160 HydrophobicContact CD1-CG2 4.22Å; N156-I160 VanDerWaalsContact O-CB 3.27Å; N156-I160 WeakPolarHBondContact O-CB 3.37Å; N156-I160 WeakPolarHBondContact O-CG2 3.33Å; F157-I160 WeakPolarHBondContact O-CG2 3.24Å; I158-I160 VanDerWaalsContact C-N 3.27Å; I158-I160 PolarHBondContact O-N 2.87Å; I160-E162 PolarHBondContact O-N 2.89Å; I160-R163 PolarHBondContact O-N 3.06Å; I160-E164 HydrophobicContact CG1-CG 3.87Å; I160-E164 WeakPolarHBondContact O-CG 3.27Å; I160-E164 PolarHBondContact O-N 2.63Å
161	C	87.6	Confident	91.9	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.054	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-28.9	180	72.1	0	0	0	0	112.4	I158 D159	I158-C161 PolarHBondContact O-SG 3.05Å; D159-C161 PolarHBondContact O-N 2.77Å
162	E	88.6	Confident	91.6	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-79.9	-22.8	175.2	-64.3	-59.9	167.9	0	0	113	D159 I160 S177 N180 R181	D159-E162 PolarHBondContact O-N 2.8Å; I160-E162 PolarHBondContact O-N 2.89Å; E162-S177 PolarHBondContact O-OG 3.21Å; E162-S177 WeakPolarHBondContact OE2-CA 3.35Å; E162-N180 HydrophobicContact CG-CB 4.09Å; E162-N180 PolarHBondContact OE1-ND2 2.93Å; E162-R181 HydrophobicContact CB-CG 3.72Å; E162-R181 HydrophobicContact CG-CG 4.22Å
163	R	89.5	Confident	91.2	Very high	131 Å²	131	63.8 Å²	63.8	49%	0.494	30%	0.296	S	S	.	.	H	α-helix	trans	-92.5	-31.7	-179.3	-69.1	175.5	-167.7	-164.9	6	113.5	D159 I160 R165	D159-R163 VanDerWaalsContact O-CG 3.31Å; D159-R163 WeakPolarHBondContact O-CG 3.17Å; D159-R163 PolarHBondContact O-N 3.46Å; D159-R163 IonicContact OD2-NH2 3.05Å; I160-R163 PolarHBondContact O-N 3.06Å; R163-R165 PolarHBondContact O-N 2.75Å
164	E	87.9	Confident	91	Very high	67 Å²	67	65.5 Å²	65.5	31%	0.313	30%	0.302	S	S	.	.	S	Bend	trans	-68	-21.9	-178.9	-74.7	-172.6	137	0	0	113.1	S37 G39 R42 I160 D166	S37-E164 WeakPolarHBondContact CB-OE2 3.29Å; S37-E164 PolarHBondContact OG-OE2 2.73Å; G39-E164 VanDerWaalsContact CA-CD 3.49Å; G39-E164 WeakPolarHBondContact CA-OE1 3.33Å; G39-E164 WeakPolarHBondContact CA-OE2 3.33Å; G39-E164 PolarHBondContact N-OE1 2.64Å; G39-E164 PolarHBondContact N-OE2 3.09Å; R42-E164 IonicContact CZ-OE1 2.77Å; R42-E164 IonicContact NH1-OE1 3.51Å; R42-E164 IonicContact NH2-OE1 3.92Å; R42-E164 PolarHBondContact NH2-OE1 3.11Å; I160-E164 HydrophobicContact CG1-CG 3.87Å; I160-E164 WeakPolarHBondContact O-CG 3.27Å; I160-E164 PolarHBondContact O-N 2.63Å; E164-D166 PolarHBondContact O-N 3.49Å
165	R	83	Confident	90.8	Very high	125 Å²	125	65.9 Å²	65.9	47%	0.472	31%	0.306	S	S	.	.	S	Bend	trans	-89.3	102.4	175.8	-60.7	-173.5	-175.8	-160.9	2.1	109.2	R86 R163 Y167	R86-R165 VanDerWaalsContact CZ-NH1 3.28Å; R86-R165 VanDerWaalsContact NH1-CZ 3.33Å; R163-R165 PolarHBondContact O-N 2.75Å; R165-Y167 VanDerWaalsContact C-N 3.28Å; R165-Y167 HydrophobicContact CB-CD2 4.06Å; R165-Y167 HydrophobicContact CB-CE1 4.25Å; R165-Y167 HydrophobicContact CB-CE2 3.51Å; R165-Y167 WeakPolarHBondContact CD-OH 3.32Å; R165-Y167 HydrophobicContact CG-CE2 4.48Å; R165-Y167 PolarHBondContact NH1-OH 3.33Å; R165-Y167 WeakPolarHBondContact O-CD2 3.4Å; R165-Y167 PolarHBondContact O-N 3.04Å
166	D	84.4	Confident	90.5	Very high	159 Å²	159	64.3 Å²	64.3	85%	0.85	30%	0.298	S	S	*	.			trans	-78.1	77.6	177.6	-166.8	19.9	0	0	0	110.8	E164	E164-D166 PolarHBondContact O-N 3.49Å
167	Y	89.2	Confident	90.4	Very high	41 Å²	41	60.8 Å²	60.8	16%	0.161	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-73.6	134.2	175.3	-60.3	-67.7	0	0	0	110.2	R86 R165 R169 E173	R86-Y167 PolarHBondContact NH2-OH 3.12Å; R165-Y167 VanDerWaalsContact C-N 3.28Å; R165-Y167 HydrophobicContact CB-CD2 4.06Å; R165-Y167 HydrophobicContact CB-CE1 4.25Å; R165-Y167 HydrophobicContact CB-CE2 3.51Å; R165-Y167 WeakPolarHBondContact CD-OH 3.32Å; R165-Y167 HydrophobicContact CG-CE2 4.48Å; R165-Y167 PolarHBondContact NH1-OH 3.33Å; R165-Y167 WeakPolarHBondContact O-CD2 3.4Å; R165-Y167 PolarHBondContact O-N 3.04Å; Y167-R169 PolarHBondContact O-N 3.04Å; Y167-E173 HydrophobicContact CD1-CB 3.37Å; Y167-E173 HydrophobicContact CD1-CG 4.13Å; Y167-E173 HydrophobicContact CD2-CB 4.13Å; Y167-E173 HydrophobicContact CE1-CB 3.54Å; Y167-E173 HydrophobicContact CE1-CG 4.02Å; Y167-E173 HydrophobicContact CE2-CB 4.26Å; Y167-E173 HydrophobicContact CG-CB 3.67Å
168	P	91.4	Very high	90.3	Very high	91 Å²	91	62.1 Å²	62.1	59%	0.591	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-54.8	138.4	175.8	-23.4	31.6	0	0	0	111.1	H170 T171 Y174	P168-H170 PolarHBondContact O-N 2.83Å; P168-T171 HydrophobicContact CB-CG2 3.82Å; P168-T171 HydrophobicContact CG-CG2 4.23Å; P168-T171 WeakPolarHBondContact O-CB 3.37Å; P168-T171 VanDerWaalsContact O-CG2 3.24Å; P168-T171 WeakPolarHBondContact O-CG2 3.4Å; P168-T171 PolarHBondContact O-N 3.45Å; P168-T171 PolarHBondContact O-OG1 3.14Å; P168-Y174 WeakPolarHBondContact O-CB 3.32Å
169	R	89.1	Confident	90.3	Very high	180 Å²	180	62.1 Å²	62.1	68%	0.679	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	144.9	178.5	-69.3	-174.9	179.2	-179.2	2.2	110.2	Y167 T171	Y167-R169 PolarHBondContact O-N 3.04Å; R169-T171 PolarHBondContact O-N 2.95Å
170	H	88.5	Confident	90.3	Very high	101 Å²	101	61.9 Å²	61.9	47%	0.468	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	3.2	-179.3	-49	-80.1	0	0	0	116.4	P168 I239 N240 R241 G243	P168-H170 PolarHBondContact O-N 2.83Å; H170-I239 VanDerWaalsContact ND1-CG2 3.29Å; H170-I239 WeakPolarHBondContact ND1-CG2 3.23Å; H170-N240 PolarHBondContact CE1-O 2.96Å; H170-N240 PolarHBondContact ND1-O 3.33Å; H170-R241 PolarHBondContact CE1-O 3.06Å; H170-G243 PolarHBondContact CE1-N 3.36Å
171	T	92.3	Very high	90.4	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.239	29%	0.292	C	S	.	.	S	Bend	trans	-73.1	160	168.1	59.5	0	0	0	0	111.7	P168 R169 E173 Y174 A175	P168-T171 HydrophobicContact CB-CG2 3.82Å; P168-T171 HydrophobicContact CG-CG2 4.23Å; P168-T171 WeakPolarHBondContact O-CB 3.37Å; P168-T171 VanDerWaalsContact O-CG2 3.24Å; P168-T171 WeakPolarHBondContact O-CG2 3.4Å; P168-T171 PolarHBondContact O-N 3.45Å; P168-T171 PolarHBondContact O-OG1 3.14Å; R169-T171 PolarHBondContact O-N 2.95Å; T171-E173 VanDerWaalsContact C-N 3.25Å; T171-E173 WeakPolarHBondContact CB-OE2 3.04Å; T171-E173 PolarHBondContact O-N 3.28Å; T171-Y174 PolarHBondContact O-N 3.32Å; T171-Y174 WeakPolarHBondContact OG1-CB 3.25Å; T171-Y174 PolarHBondContact OG1-N 3.41Å; T171-A175 PolarHBondContact O-N 3.31Å; T171-A175 VanDerWaalsContact O-N 3.08Å
172	K	90.6	Very high	90.8	Very high	106 Å²	106	68.1 Å²	68.1	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-37.2	176.6	-174.1	174.7	-177.6	167.9	0	110.6	A175 K176 D265	K172-A175 WeakPolarHBondContact O-CB 3.24Å; K172-A175 PolarHBondContact O-N 2.89Å; K172-K176 WeakPolarHBondContact O-CB 3.48Å; K172-K176 PolarHBondContact O-N 2.89Å; K172-D265 VanDerWaalsContact CE-OD1 3.31Å; K172-D265 WeakPolarHBondContact CE-OD1 3.32Å; K172-D265 WeakPolarHBondContact CE-OD2 3.21Å; K172-D265 IonicContact NZ-OD1 3.79Å; K172-D265 PolarHBondContact NZ-OD1 2.94Å; K172-D265 IonicContact NZ-OD2 3.25Å
173	E	90.2	Very high	91.2	Very high	96 Å²	96	68 Å²	68	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-42.7	-180	-62.1	67.3	-147.7	0	0	111.2	Y167 T171 K176 S177	Y167-E173 HydrophobicContact CD1-CB 3.37Å; Y167-E173 HydrophobicContact CD1-CG 4.13Å; Y167-E173 HydrophobicContact CD2-CB 4.13Å; Y167-E173 HydrophobicContact CE1-CB 3.54Å; Y167-E173 HydrophobicContact CE1-CG 4.02Å; Y167-E173 HydrophobicContact CE2-CB 4.26Å; Y167-E173 HydrophobicContact CG-CB 3.67Å; T171-E173 VanDerWaalsContact C-N 3.25Å; T171-E173 WeakPolarHBondContact CB-OE2 3.04Å; T171-E173 PolarHBondContact O-N 3.28Å; E173-K176 PolarHBondContact O-N 2.9Å; E173-S177 PolarHBondContact O-N 3.21Å
174	Y	92.4	Very high	91.5	Very high	45 Å²	45	61.9 Å²	61.9	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-43.4	172.9	177.4	-101.7	0	0	0	111.4	P168 T171 K176 S177 L178 I239 G243	P168-Y174 WeakPolarHBondContact O-CB 3.32Å; T171-Y174 PolarHBondContact O-N 3.32Å; T171-Y174 WeakPolarHBondContact OG1-CB 3.25Å; T171-Y174 PolarHBondContact OG1-N 3.41Å; Y174-K176 VanDerWaalsContact C-N 3.29Å; Y174-K176 PolarHBondContact O-N 3.06Å; Y174-S177 PolarHBondContact O-N 2.63Å; Y174-L178 HydrophobicContact CD1-CD1 4.17Å; Y174-L178 HydrophobicContact CE1-CD1 3.49Å; Y174-L178 VanDerWaalsContact CE1-CD1 3.49Å; Y174-L178 HydrophobicContact CE1-CG 4.22Å; Y174-L178 HydrophobicContact CE2-CG 4.47Å; Y174-L178 WeakPolarHBondContact O-CG 3.4Å; Y174-L178 PolarHBondContact O-N 3.22Å; Y174-L178 VanDerWaalsContact O-N 3.08Å; Y174-I239 HydrophobicContact CD1-CD1 3.53Å; Y174-I239 HydrophobicContact CE1-CD1 4.06Å; Y174-G243 WeakPolarHBondContact CE1-O 3.46Å; Y174-G243 PolarHBondContact OH-O 3.46Å
175	A	93.5	Very high	91.9	Very high	9 Å²	9	61.3 Å²	61.3	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.5	0	0	0	0	0	111.6	T171 K172 L178 M179 I239 L264	T171-A175 PolarHBondContact O-N 3.31Å; T171-A175 VanDerWaalsContact O-N 3.08Å; K172-A175 WeakPolarHBondContact O-CB 3.24Å; K172-A175 PolarHBondContact O-N 2.89Å; A175-L178 PolarHBondContact O-N 2.03Å; A175-M179 WeakPolarHBondContact O-CB 3.38Å; A175-M179 PolarHBondContact O-N 3.38Å; A175-I239 HydrophobicContact CB-CD1 3.37Å; A175-I239 HydrophobicContact CB-CG1 3.69Å; A175-L264 HydrophobicContact CB-CD1 3.83Å; A175-L264 HydrophobicContact CB-CD2 4.06Å
176	K	92	Very high	92.6	Very high	29 Å²	29	55.4 Å²	55.4	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-43.1	-179.9	-172.2	179	176.3	-176.2	0	112.3	L89 S90 K172 E173 Y174 L178 M179 N180 L264	L89-K176 WeakPolarHBondContact O-CE 3.35Å; L89-K176 PolarHBondContact O-NZ 3.35Å; S90-K176 PolarHBondContact O-NZ 3.39Å; K172-K176 WeakPolarHBondContact O-CB 3.48Å; K172-K176 PolarHBondContact O-N 2.89Å; E173-K176 PolarHBondContact O-N 2.9Å; Y174-K176 VanDerWaalsContact C-N 3.29Å; Y174-K176 PolarHBondContact O-N 3.06Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 2.8Å; K176-M179 HydrophobicContact CG-CE 4.37Å; K176-M179 WeakPolarHBondContact O-CB 3.01Å; K176-M179 PolarHBondContact O-N 2.76Å; K176-M179 VanDerWaalsContact O-N 3.14Å; K176-N180 WeakPolarHBondContact O-CB 3.28Å; K176-N180 PolarHBondContact O-N 3.42Å; K176-N180 PolarHBondContact O-OD1 3.36Å; K176-L264 HydrophobicContact CB-CD1 4.18Å
177	S	92.3	Very high	93.2	Very high	7 Å²	7	47.9 Å²	47.9	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-43.2	173.8	163.8	0	0	0	0	111.6	E162 E173 Y174 N180 R181	E162-S177 PolarHBondContact O-OG 3.21Å; E162-S177 WeakPolarHBondContact OE2-CA 3.35Å; E173-S177 PolarHBondContact O-N 3.21Å; Y174-S177 PolarHBondContact O-N 2.63Å; S177-N180 PolarHBondContact O-N 3.45Å; S177-R181 WeakPolarHBondContact O-CB 3.42Å; S177-R181 VanDerWaalsContact O-CG 3.3Å; S177-R181 WeakPolarHBondContact O-CG 3.39Å; S177-R181 PolarHBondContact O-N 3.46Å
178	L	93.7	Very high	93.6	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-42.3	174.5	-68.9	-178.9	0	0	0	112.6	Y174 A175 K176 W182 G243 L245	Y174-L178 HydrophobicContact CD1-CD1 4.17Å; Y174-L178 HydrophobicContact CE1-CD1 3.49Å; Y174-L178 VanDerWaalsContact CE1-CD1 3.49Å; Y174-L178 HydrophobicContact CE1-CG 4.22Å; Y174-L178 HydrophobicContact CE2-CG 4.47Å; Y174-L178 WeakPolarHBondContact O-CG 3.4Å; Y174-L178 PolarHBondContact O-N 3.22Å; Y174-L178 VanDerWaalsContact O-N 3.08Å; A175-L178 PolarHBondContact O-N 2.03Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 2.8Å; L178-W182 WeakPolarHBondContact O-CB 3.39Å; L178-W182 PolarHBondContact O-N 3.33Å; L178-G243 WeakPolarHBondContact CD1-O 3.41Å; L178-L245 HydrophobicContact CB-CD1 3.95Å; L178-L245 HydrophobicContact CB-CD2 4.14Å; L178-L245 HydrophobicContact CB-CG 3.96Å; L178-L245 HydrophobicContact CD1-CD2 4.5Å; L178-L245 HydrophobicContact CD1-CG 4.32Å
179	M	94.3	Very high	93.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-48.8	176.7	-175.5	-155.7	74.6	0	0	111.1	A175 K176 R181 W182 N183 V262 L264	A175-M179 WeakPolarHBondContact O-CB 3.38Å; A175-M179 PolarHBondContact O-N 3.38Å; K176-M179 HydrophobicContact CG-CE 4.37Å; K176-M179 WeakPolarHBondContact O-CB 3.01Å; K176-M179 PolarHBondContact O-N 2.76Å; K176-M179 VanDerWaalsContact O-N 3.14Å; M179-R181 PolarHBondContact O-N 3.17Å; M179-W182 WeakPolarHBondContact O-CB 3.47Å; M179-W182 PolarHBondContact O-N 2.69Å; M179-N183 PolarHBondContact O-N 3.46Å; M179-N183 PolarHBondContact O-ND2 3.04Å; M179-N183 VanDerWaalsContact O-ND2 3.13Å; M179-V262 HydrophobicContact CG-CG2 4Å; M179-V262 VanDerWaalsContact CG-O 3.28Å; M179-V262 WeakPolarHBondContact CG-O 3.33Å; M179-L264 HydrophobicContact CB-CD1 3.91Å; M179-L264 HydrophobicContact CB-CG 4.25Å; M179-L264 HydrophobicContact CG-CD1 4.33Å; M179-L264 HydrophobicContact CG-CG 4.27Å; M179-L264 HydrophobicContact SD-CB 4.36Å; M179-L264 HydrophobicContact SD-CD1 3.87Å; M179-L264 HydrophobicContact SD-CG 3.85Å
180	N	93.8	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-50.1	178.2	-69.7	-3.2	0	0	0	110.9	Y100 E162 K176 S177 W182 N183 N184	Y100-N180 HydrophobicContact CD1-CB 3.9Å; Y100-N180 HydrophobicContact CD2-CB 4.5Å; Y100-N180 HydrophobicContact CE1-CB 3.82Å; Y100-N180 WeakPolarHBondContact CE1-ND2 3.43Å; Y100-N180 HydrophobicContact CE2-CB 4.5Å; Y100-N180 VanDerWaalsContact CE2-OD1 3.28Å; Y100-N180 WeakPolarHBondContact CE2-OD1 3.3Å; Y100-N180 HydrophobicContact CG-CB 4.26Å; Y100-N180 PolarHBondContact OH-ND2 3.01Å; Y100-N180 VanDerWaalsContact OH-ND2 3.13Å; E162-N180 HydrophobicContact CG-CB 4.09Å; E162-N180 PolarHBondContact OE1-ND2 2.93Å; K176-N180 WeakPolarHBondContact O-CB 3.28Å; K176-N180 PolarHBondContact O-N 3.42Å; K176-N180 PolarHBondContact O-OD1 3.36Å; S177-N180 PolarHBondContact O-N 3.45Å; N180-W182 VanDerWaalsContact C-N 3.33Å; N180-W182 PolarHBondContact O-N 3.23Å; N180-N183 PolarHBondContact O-N 2.92Å; N180-N184 WeakPolarHBondContact O-CB 3.25Å; N180-N184 PolarHBondContact O-N 2.9Å; N180-N184 PolarHBondContact O-ND2 2.97Å; N180-N184 PolarHBondContact O-OD1 3.37Å
181	R	94.2	Very high	94.7	Very high	84 Å²	84	31 Å²	31	32%	0.317	14%	0.139	S	C	.	.	H	α-helix	trans	-60.5	-39.6	177.5	-71.9	170.3	56.6	-162.7	-2.5	112.9	E162 S177 M179 E185	E162-R181 HydrophobicContact CB-CG 3.72Å; E162-R181 HydrophobicContact CG-CG 4.22Å; S177-R181 WeakPolarHBondContact O-CB 3.42Å; S177-R181 VanDerWaalsContact O-CG 3.3Å; S177-R181 WeakPolarHBondContact O-CG 3.39Å; S177-R181 PolarHBondContact O-N 3.46Å; M179-R181 PolarHBondContact O-N 3.17Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.19Å; R181-E185 VanDerWaalsContact O-N 3.07Å
182	W	95.5	Very high	94.9	Very high	91 Å²	91	33.7 Å²	33.7	35%	0.345	15%	0.147	S	C	.	.	H	α-helix	trans	-61.1	-50.1	175.1	178.6	-77.3	0	0	0	111	L178 M179 N180 E185 V186 L245 D260 V262	L178-W182 WeakPolarHBondContact O-CB 3.39Å; L178-W182 PolarHBondContact O-N 3.33Å; M179-W182 WeakPolarHBondContact O-CB 3.47Å; M179-W182 PolarHBondContact O-N 2.69Å; N180-W182 VanDerWaalsContact C-N 3.33Å; N180-W182 PolarHBondContact O-N 3.23Å; W182-E185 WeakPolarHBondContact O-CB 3.26Å; W182-E185 PolarHBondContact O-N 3.16Å; W182-V186 WeakPolarHBondContact O-CG2 3.36Å; W182-V186 PolarHBondContact O-N 3.12Å; W182-L245 HydrophobicContact CB-CD1 4.48Å; W182-D260 PolarHBondContact NE1-O 3.46Å; W182-V262 HydrophobicContact CB-CG2 4.01Å; W182-V262 VanDerWaalsContact CD1-CG2 3.41Å; W182-V262 HydrophobicContact CD2-CG1 4.5Å; W182-V262 HydrophobicContact CD2-CG2 4.44Å; W182-V262 HydrophobicContact CG-CG1 4.42Å; W182-V262 HydrophobicContact CG-CG2 3.7Å
183	N	96.5	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-37.6	-177.5	-66.7	-36.9	0	0	0	112	A97 A101 M179 N180 E185 V186 G187 L261 V262	A97-N183 VanDerWaalsContact CA-ND2 3.32Å; A97-N183 WeakPolarHBondContact CA-ND2 3.34Å; A97-N183 WeakPolarHBondContact CB-ND2 3.22Å; A97-N183 WeakPolarHBondContact O-CB 3.39Å; A101-N183 VanDerWaalsContact CA-O 3.3Å; A101-N183 WeakPolarHBondContact CA-O 3.39Å; A101-N183 HydrophobicContact CB-CB 4.49Å; A101-N183 VanDerWaalsContact CB-O 3.31Å; A101-N183 WeakPolarHBondContact CB-O 3.26Å; M179-N183 PolarHBondContact O-N 3.46Å; M179-N183 PolarHBondContact O-ND2 3.04Å; M179-N183 VanDerWaalsContact O-ND2 3.13Å; N180-N183 PolarHBondContact O-N 2.92Å; N183-E185 VanDerWaalsContact C-N 3.29Å; N183-E185 PolarHBondContact O-N 2.95Å; N183-V186 WeakPolarHBondContact O-CB 3.17Å; N183-V186 PolarHBondContact O-N 3.37Å; N183-G187 PolarHBondContact O-N 3.49Å; N183-L261 HydrophobicContact CB-CD2 4.22Å; N183-L261 WeakPolarHBondContact OD1-CA 3.23Å; N183-V262 PolarHBondContact ND2-O 3.03Å; N183-V262 PolarHBondContact OD1-N 2.75Å
184	N	96.4	Very high	95.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-56.2	-44.4	170.4	-68.9	-15.8	0	0	0	111.7	Y100 S104 I158 D159 N180 G187 R188	Y100-N184 WeakPolarHBondContact CB-OD1 3.44Å; Y100-N184 WeakPolarHBondContact CD1-OD1 3.29Å; Y100-N184 PolarHBondContact O-OD1 2.87Å; Y100-N184 VanDerWaalsContact O-OD1 3.13Å; S104-N184 WeakPolarHBondContact CB-O 3.47Å; S104-N184 PolarHBondContact OG-O 3Å; I158-N184 WeakPolarHBondContact CG2-ND2 3.48Å; D159-N184 WeakPolarHBondContact OD1-CB 3.42Å; D159-N184 PolarHBondContact OD1-ND2 2.9Å; D159-N184 VanDerWaalsContact OD1-ND2 3.12Å; N180-N184 WeakPolarHBondContact O-CB 3.25Å; N180-N184 PolarHBondContact O-N 2.9Å; N180-N184 PolarHBondContact O-ND2 2.97Å; N180-N184 PolarHBondContact O-OD1 3.37Å; N184-G187 PolarHBondContact O-N 3.32Å; N184-R188 PolarHBondContact O-N 2.86Å
185	E	96.9	Very high	95.6	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-66.4	-40.7	177.9	-179.6	67.3	-168.1	0	0	111.8	R181 W182 N183 G187 R188 K189	R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.19Å; R181-E185 VanDerWaalsContact O-N 3.07Å; W182-E185 WeakPolarHBondContact O-CB 3.26Å; W182-E185 PolarHBondContact O-N 3.16Å; N183-E185 VanDerWaalsContact C-N 3.29Å; N183-E185 PolarHBondContact O-N 2.95Å; E185-G187 VanDerWaalsContact C-N 3.34Å; E185-G187 PolarHBondContact O-N 2.94Å; E185-R188 PolarHBondContact O-N 2.93Å; E185-R188 IonicContact OE2-CZ 2.98Å; E185-R188 IonicContact OE2-NE 2.69Å; E185-R188 PolarHBondContact OE2-NE 3.03Å; E185-R188 IonicContact OE2-NH2 3.21Å; E185-R188 PolarHBondContact OE2-NH2 3.38Å; E185-K189 HydrophobicContact CG-CD 4.12Å; E185-K189 HydrophobicContact CG-CG 4.43Å; E185-K189 WeakPolarHBondContact O-CB 3.33Å; E185-K189 VanDerWaalsContact O-CG 3.31Å; E185-K189 WeakPolarHBondContact O-CG 3.31Å; E185-K189 PolarHBondContact O-N 3.4Å; E185-K189 VanDerWaalsContact OE1-CE 3.26Å; E185-K189 WeakPolarHBondContact OE1-CE 3.43Å
186	V	97.3	Very high	95.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-48.9	173.9	171.2	0	0	0	0	110.3	W182 N183 R188 K189 V190 M259 L261	W182-V186 WeakPolarHBondContact O-CG2 3.36Å; W182-V186 PolarHBondContact O-N 3.12Å; N183-V186 WeakPolarHBondContact O-CB 3.17Å; N183-V186 PolarHBondContact O-N 3.37Å; V186-R188 PolarHBondContact O-N 3.49Å; V186-K189 PolarHBondContact O-N 2.88Å; V186-K189 VanDerWaalsContact O-N 3.17Å; V186-V190 HydrophobicContact CG1-CG2 4.41Å; V186-V190 WeakPolarHBondContact O-CG2 3.38Å; V186-V190 PolarHBondContact O-N 3.31Å; V186-M259 HydrophobicContact CG1-CE 4.45Å; V186-M259 VanDerWaalsContact CG1-O 3.31Å; V186-M259 WeakPolarHBondContact CG1-O 3.28Å; V186-L261 HydrophobicContact CB-CD2 4.08Å; V186-L261 HydrophobicContact CG1-CD2 3.75Å; V186-L261 HydrophobicContact CG1-CG 4.5Å
187	G	97.7	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-53.3	-50.1	176.6	0	0	0	0	0	113.3	A101 N183 N184 E185 K189 V190 I191	A101-G187 WeakPolarHBondContact O-CA 3.27Å; N183-G187 PolarHBondContact O-N 3.49Å; N184-G187 PolarHBondContact O-N 3.32Å; E185-G187 VanDerWaalsContact C-N 3.34Å; E185-G187 PolarHBondContact O-N 2.94Å; G187-K189 PolarHBondContact O-N 3Å; G187-V190 PolarHBondContact O-N 2.78Å; G187-I191 PolarHBondContact O-N 3.13Å
188	R	97.9	Very high	96	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-40.3	177.4	-67.2	-177.9	-61.1	-107	10.9	112.7	S104 A108 C151 D159 N184 E185 V186 V190 I191 K192	S104-R188 VanDerWaalsContact OG-CG 3.32Å; S104-R188 WeakPolarHBondContact OG-CG 3.42Å; S104-R188 PolarHBondContact OG-NH1 2.87Å; S104-R188 VanDerWaalsContact OG-NH1 3.14Å; A108-R188 HydrophobicContact CB-CG 4.4Å; C151-R188 HydrophobicContact CB-CB 4.31Å; C151-R188 HydrophobicContact CB-CG 4.47Å; C151-R188 WeakPolarHBondContact O-CD 3.38Å; D159-R188 IonicContact OD1-CZ 3.96Å; D159-R188 IonicContact OD1-NH1 3.94Å; D159-R188 PolarHBondContact OD1-NH1 3.36Å; D159-R188 IonicContact OD1-NH2 2.85Å; D159-R188 IonicContact OD2-CZ 3.03Å; D159-R188 IonicContact OD2-NH1 3.37Å; D159-R188 IonicContact OD2-NH2 3.72Å; D159-R188 PolarHBondContact OD2-NH2 3.43Å; N184-R188 PolarHBondContact O-N 2.86Å; E185-R188 PolarHBondContact O-N 2.93Å; E185-R188 IonicContact OE2-CZ 2.98Å; E185-R188 IonicContact OE2-NE 2.69Å; E185-R188 PolarHBondContact OE2-NE 3.03Å; E185-R188 IonicContact OE2-NH2 3.21Å; E185-R188 PolarHBondContact OE2-NH2 3.38Å; V186-R188 PolarHBondContact O-N 3.49Å; R188-V190 VanDerWaalsContact C-N 3.3Å; R188-V190 PolarHBondContact O-N 3.49Å; R188-I191 PolarHBondContact O-N 3.39Å; R188-K192 PolarHBondContact O-N 2.88Å
189	K	97.4	Very high	96	Very high	52 Å²	52	42.7 Å²	42.7	23%	0.226	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-33.2	177.1	-74.7	173.5	175.2	165.9	0	112	E185 V186 G187 I191 K192 R193 Q258 M259	E185-K189 HydrophobicContact CG-CD 4.12Å; E185-K189 HydrophobicContact CG-CG 4.43Å; E185-K189 WeakPolarHBondContact O-CB 3.33Å; E185-K189 VanDerWaalsContact O-CG 3.31Å; E185-K189 WeakPolarHBondContact O-CG 3.31Å; E185-K189 PolarHBondContact O-N 3.4Å; E185-K189 VanDerWaalsContact OE1-CE 3.26Å; E185-K189 WeakPolarHBondContact OE1-CE 3.43Å; V186-K189 PolarHBondContact O-N 2.88Å; V186-K189 VanDerWaalsContact O-N 3.17Å; G187-K189 PolarHBondContact O-N 3Å; K189-I191 VanDerWaalsContact C-N 3.33Å; K189-K192 PolarHBondContact O-N 3.21Å; K189-R193 WeakPolarHBondContact O-CB 3.47Å; K189-R193 WeakPolarHBondContact O-CG 3.25Å; K189-R193 PolarHBondContact O-N 3.23Å; K189-Q258 PolarHBondContact NZ-O 2.8Å; K189-M259 HydrophobicContact CB-CE 3.49Å; K189-M259 VanDerWaalsContact CB-CE 3.49Å; K189-M259 HydrophobicContact CB-SD 3.38Å; K189-M259 WeakPolarHBondContact CB-SD 3.46Å; K189-M259 HydrophobicContact CD-SD 3.63Å; K189-M259 HydrophobicContact CG-SD 4.13Å
190	V	96.9	Very high	96.1	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-46.8	177.6	170.5	0	0	0	0	109.2	V186 G187 R188 K192 R193 K194 L223 I226 L227 M259	V186-V190 HydrophobicContact CG1-CG2 4.41Å; V186-V190 WeakPolarHBondContact O-CG2 3.38Å; V186-V190 PolarHBondContact O-N 3.31Å; G187-V190 PolarHBondContact O-N 2.78Å; R188-V190 VanDerWaalsContact C-N 3.3Å; R188-V190 PolarHBondContact O-N 3.49Å; V190-K192 PolarHBondContact O-N 3.07Å; V190-R193 PolarHBondContact O-N 3.21Å; V190-K194 HydrophobicContact CG1-CG 4.13Å; V190-K194 VanDerWaalsContact O-CB 3.22Å; V190-K194 WeakPolarHBondContact O-CB 3.41Å; V190-K194 WeakPolarHBondContact O-CG 3.37Å; V190-K194 PolarHBondContact O-N 3.29Å; V190-L223 HydrophobicContact CG1-CD2 3.7Å; V190-I226 HydrophobicContact CG1-CB 4.27Å; V190-I226 HydrophobicContact CG1-CG2 3.7Å; V190-I226 HydrophobicContact CG2-CG2 4.39Å; V190-L227 HydrophobicContact CG2-CD2 3.94Å; V190-M259 HydrophobicContact CB-CE 4.25Å; V190-M259 HydrophobicContact CG2-CE 3.43Å; V190-M259 VanDerWaalsContact CG2-CE 3.43Å
191	I	97	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-51.3	176.4	-60.6	170.6	0	0	0	111	A105 A108 H109 I147 G187 R188 K189 R193 K194 S195 A217 L223	A105-I191 HydrophobicContact CB-CD1 3.86Å; A105-I191 HydrophobicContact CB-CG1 4.28Å; A105-I191 WeakPolarHBondContact O-CD1 3.32Å; A108-I191 HydrophobicContact CB-CD1 3.8Å; H109-I191 HydrophobicContact CB-CD1 4.14Å; I147-I191 HydrophobicContact CD1-CG2 4.37Å; I147-I191 HydrophobicContact CG1-CG2 4.41Å; I147-I191 HydrophobicContact CG2-CG2 3.7Å; G187-I191 PolarHBondContact O-N 3.13Å; R188-I191 PolarHBondContact O-N 3.39Å; K189-I191 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.13Å; I191-K194 PolarHBondContact O-N 3.44Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.12Å; I191-A217 HydrophobicContact CG2-CB 4.22Å; I191-L223 HydrophobicContact CD1-CD1 4.18Å; I191-L223 HydrophobicContact CG1-CD1 3.78Å; I191-L223 HydrophobicContact CG1-CD2 3.68Å; I191-L223 HydrophobicContact CG1-CG 4.41Å
192	K	95.8	Very high	96.1	Very high	94 Å²	94	51 Å²	51	41%	0.409	23%	0.231	S	C	.	.	H	α-helix	trans	-56.4	-49.4	179.3	-72.6	-177.9	178.3	-177	0	111.5	I147 C151 R188 K189 V190 S195	I147-K192 HydrophobicContact CG2-CG 3.79Å; C151-K192 VanDerWaalsContact SG-CE 3.59Å; R188-K192 PolarHBondContact O-N 2.88Å; K189-K192 PolarHBondContact O-N 3.21Å; V190-K192 PolarHBondContact O-N 3.07Å; K192-S195 PolarHBondContact O-OG 3.38Å
193	R	95.5	Very high	95.9	Very high	147 Å²	147	47.1 Å²	47.1	56%	0.555	22%	0.22	S	C	*	.	H	α-helix	trans	-73.8	-30.4	-175.9	-70.7	-174.7	179.3	-167	2.8	114	K189 V190 I191	K189-R193 WeakPolarHBondContact O-CB 3.47Å; K189-R193 WeakPolarHBondContact O-CG 3.25Å; K189-R193 PolarHBondContact O-N 3.23Å; V190-R193 PolarHBondContact O-N 3.21Å; I191-R193 PolarHBondContact O-N 3.13Å
194	K	96.5	Very high	95.8	Very high	110 Å²	110	53.2 Å²	53.2	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-97	-0.7	-176.6	-62.5	-67.4	-169.8	171	0	113.4	V190 I191 P218 I226	V190-K194 HydrophobicContact CG1-CG 4.13Å; V190-K194 VanDerWaalsContact O-CB 3.22Å; V190-K194 WeakPolarHBondContact O-CB 3.41Å; V190-K194 WeakPolarHBondContact O-CG 3.37Å; V190-K194 PolarHBondContact O-N 3.29Å; I191-K194 PolarHBondContact O-N 3.44Å; K194-P218 HydrophobicContact CB-CG 4.14Å; K194-I226 HydrophobicContact CB-CD1 4.17Å; K194-I226 HydrophobicContact CD-CD1 3.89Å; K194-I226 HydrophobicContact CG-CD1 3.65Å
195	S	95.9	Very high	95.6	Very high	13 Å²	13	59.4 Å²	59.4	9%	0.091	30%	0.3	C	S	.	.			trans	-66.7	133	171.3	64	0	0	0	0	112.1	I191 K192 K215 Q216	I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.12Å; K192-S195 PolarHBondContact O-OG 3.38Å; S195-K215 PolarHBondContact O-NZ 2.85Å; S195-K215 VanDerWaalsContact O-NZ 3.07Å; S195-K215 WeakPolarHBondContact OG-CE 3.47Å; S195-K215 PolarHBondContact OG-NZ 2.75Å; S195-Q216 CarbonylContact C-O 3.56Å; S195-Q216 VanDerWaalsContact CA-O 3.29Å; S195-Q216 WeakPolarHBondContact CA-O 3.44Å; S195-Q216 WeakPolarHBondContact CB-O 3.46Å
196	R	95.2	Very high	95.4	Very high	123 Å²	123	59.2 Å²	59.2	46%	0.464	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	163	-173.5	63.3	-176.7	176.9	-137.4	-4.8	112	Q216 E222	R196-Q216 PolarHBondContact N-O 2.84Å; R196-Q216 PolarHBondContact O-N 3.27Å; R196-E222 IonicContact CZ-OE1 3.5Å; R196-E222 IonicContact NH1-OE1 3.77Å; R196-E222 PolarHBondContact NH1-OE1 2.83Å; R196-E222 IonicContact NH2-OE1 3.74Å; R196-E222 IonicContact NH2-OE2 3.54Å
197	V	95.4	Very high	95.1	Very high	47 Å²	47	61.8 Å²	61.8	29%	0.285	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.8	165.5	178.3	0	0	0	0	107.6	P131 L134 W140 C213 W214	P131-V197 HydrophobicContact CG-CG2 3.8Å; L134-V197 HydrophobicContact CD1-CG1 3.84Å; W140-V197 HydrophobicContact CZ3-CG1 4.06Å; W140-V197 HydrophobicContact CZ3-CG2 4.1Å; V197-C213 HydrophobicContact CG1-CB 3.59Å; V197-W214 WeakPolarHBondContact CA-O 3.36Å
198	T	95.4	Very high	94.9	Very high	32 Å²	32	65.2 Å²	65.2	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.8	174.8	-62.7	0	0	0	0	108.9	C213 W214 Q216	T198-C213 CarbonylContact O-C 3.53Å; T198-C213 WeakPolarHBondContact O-CA 3.43Å; T198-W214 HydrophobicContact CG2-CZ2 4.36Å; T198-W214 PolarHBondContact N-O 3.16Å; T198-W214 PolarHBondContact O-N 2.88Å; T198-Q216 VanDerWaalsContact CG2-OE1 3.29Å; T198-Q216 WeakPolarHBondContact OG1-CB 3.14Å; T198-Q216 PolarHBondContact OG1-OE1 2.88Å
199	C	95.4	Very high	94.6	Very high	38 Å²	38	68.9 Å²	68.9	26%	0.257	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.7	-176.7	-50.7	0	0	0	0	111.8	K211 T212 C213	C199-K211 HydrophobicContact CB-CB 4.46Å; C199-K211 HydrophobicContact CB-CD 3.91Å; C199-K211 HydrophobicContact CB-CG 4.31Å; C199-T212 CarbonylContact C-O 3.53Å; C199-T212 VanDerWaalsContact CA-O 3.23Å; C199-T212 WeakPolarHBondContact CA-O 3.31Å; C199-C213 HydrophobicContact CB-CB 4Å; C199-C213 WeakPolarHBondContact CB-SG 3.38Å; C199-C213 WeakPolarHBondContact SG-CB 3.38Å; C199-C213 CovalentContact SG-SG 2.04Å; C199-C213 PolarHBondContact SG-SG 2.91Å
200	K	95.5	Very high	94.3	Very high	121 Å²	121	71.5 Å²	71.5	53%	0.526	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134	167.7	178.6	175	177.3	-179.2	0	110.5	H202 K211 T212 W214	K200-H202 VanDerWaalsContact CD-CE1 3.48Å; K200-H202 WeakPolarHBondContact CD-CE1 3.3Å; K200-H202 VanDerWaalsContact CG-CE1 3.5Å; K200-H202 WeakPolarHBondContact CG-CE1 3.43Å; K200-H202 PolarHBondContact O-CD2 3.22Å; K200-H202 PolarHBondContact O-NE2 2.97Å; K200-K211 WeakPolarHBondContact O-CA 3.48Å; K200-K211 WeakPolarHBondContact O-CB 3.44Å; K200-T212 PolarHBondContact N-O 2.8Å; K200-T212 PolarHBondContact O-N 3.17Å; K200-W214 HydrophobicContact CB-CH2 3.55Å; K200-W214 HydrophobicContact CB-CZ3 3.8Å
201	C	95.6	Very high	94.2	Very high	38 Å²	38	72.9 Å²	72.9	26%	0.257	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	136	179.9	-58.3	0	0	0	0	110.6	C208	C201-C208 HydrophobicContact CB-CB 3.89Å; C201-C208 WeakPolarHBondContact CB-SG 3.49Å; C201-C208 VanDerWaalsContact SG-CA 3.55Å; C201-C208 WeakPolarHBondContact SG-CB 3.31Å; C201-C208 CovalentContact SG-SG 2.03Å; C201-C208 PolarHBondContact SG-SG 2.72Å
202	H	93.2	Very high	94.1	Very high	98 Å²	98	74.5 Å²	74.5	45%	0.454	41%	0.412	S	S	.	.			trans	-133.7	11.8	-173.9	-57.2	-72	0	0	0	112.8	K200 L210	K200-H202 VanDerWaalsContact CD-CE1 3.48Å; K200-H202 WeakPolarHBondContact CD-CE1 3.3Å; K200-H202 VanDerWaalsContact CG-CE1 3.5Å; K200-H202 WeakPolarHBondContact CG-CE1 3.43Å; K200-H202 PolarHBondContact O-CD2 3.22Å; K200-H202 PolarHBondContact O-NE2 2.97Å; H202-L210 PolarHBondContact N-O 3.17Å
203	G	90.7	Very high	94.1	Very high	11 Å²	11	70 Å²	70	11%	0.113	39%	0.393	C	S	.	.	S	Bend	trans	-71.4	171.4	173.9	0	0	0	0	0	112.4	S205 G206 S207	G203-S205 PolarHBondContact O-N 3.1Å; G203-G206 PolarHBondContact O-N 3.36Å; G203-S207 WeakPolarHBondContact CA-O 3.31Å; G203-S207 PolarHBondContact N-O 3.46Å; G203-S207 PolarHBondContact O-N 3.42Å
204	V	94.5	Very high	94.1	Very high	128 Å²	128	65.4 Å²	65.4	78%	0.776	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-51	130.6	179.4	-176.9	0	0	0	0	110.2	G206 S207	V204-G206 PolarHBondContact O-N 3Å; V204-S207 WeakPolarHBondContact O-CB 3.38Å; V204-S207 PolarHBondContact O-N 3.21Å
205	S	93	Very high	94.1	Very high	130 Å²	130	61.8 Å²	61.8	91%	0.909	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	54.7	29.9	-178	-54.2	0	0	0	0	114.9	G203	G203-S205 PolarHBondContact O-N 3.1Å
206	G	91	Very high	94.2	Very high	53 Å²	53	63.4 Å²	63.4	55%	0.546	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	84.6	9.9	-179.2	0	0	0	0	0	114.4	G203 V204	G203-G206 PolarHBondContact O-N 3.36Å; V204-G206 PolarHBondContact O-N 3Å
207	S	92.7	Very high	94.2	Very high	55 Å²	55	57.6 Å²	57.6	39%	0.385	34%	0.344	S	S	.	.			trans	-57.1	145.4	175.6	176.8	0	0	0	0	112.3	G203 V204 S209	G203-S207 WeakPolarHBondContact CA-O 3.31Å; G203-S207 PolarHBondContact N-O 3.46Å; G203-S207 PolarHBondContact O-N 3.42Å; V204-S207 WeakPolarHBondContact O-CB 3.38Å; V204-S207 PolarHBondContact O-N 3.21Å; S207-S209 VanDerWaalsContact C-N 3.32Å; S207-S209 PolarHBondContact OG-N 3.38Å; S207-S209 PolarHBondContact OG-OG 2.91Å
208	C	92.9	Very high	94.3	Very high	71 Å²	71	55.5 Å²	55.5	48%	0.48	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	15.7	177.3	-64.4	0	0	0	0	113.8	C201 L210	C201-C208 HydrophobicContact CB-CB 3.89Å; C201-C208 WeakPolarHBondContact CB-SG 3.49Å; C201-C208 VanDerWaalsContact SG-CA 3.55Å; C201-C208 WeakPolarHBondContact SG-CB 3.31Å; C201-C208 CovalentContact SG-SG 2.03Å; C201-C208 PolarHBondContact SG-SG 2.72Å; C208-L210 PolarHBondContact O-N 2.9Å
209	S	90.2	Very high	94.4	Very high	82 Å²	82	56 Å²	56	57%	0.573	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.7	171.8	56	0	0	0	0	112.2	S207	S207-S209 VanDerWaalsContact C-N 3.32Å; S207-S209 PolarHBondContact OG-N 3.38Å; S207-S209 PolarHBondContact OG-OG 2.91Å
210	L	91.6	Very high	94.5	Very high	107 Å²	107	55.8 Å²	55.8	56%	0.56	33%	0.332	S	S	*	.	S	Bend	trans	-120.2	128.5	168.3	-66.1	173.9	0	0	0	108.8	H202 C208	H202-L210 PolarHBondContact N-O 3.17Å; C208-L210 PolarHBondContact O-N 2.9Å
211	K	94.5	Very high	94.7	Very high	33 Å²	33	54.3 Å²	54.3	14%	0.143	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148.2	172.6	65.2	-175.6	-173.6	179	0	112.4	W138 V139 C199 K200	W138-K211 HydrophobicContact CB-CG 4.25Å; W138-K211 HydrophobicContact CD2-CD 4.23Å; W138-K211 HydrophobicContact CD2-CG 4.3Å; W138-K211 HydrophobicContact CG-CD 4.36Å; W138-K211 VanDerWaalsContact CG-CE 3.42Å; W138-K211 HydrophobicContact CG-CG 3.92Å; W138-K211 VanDerWaalsContact NE1-CE 3.29Å; V139-K211 PolarHBondContact N-O 3.48Å; C199-K211 HydrophobicContact CB-CB 4.46Å; C199-K211 HydrophobicContact CB-CD 3.91Å; C199-K211 HydrophobicContact CB-CG 4.31Å; K200-K211 WeakPolarHBondContact O-CA 3.48Å; K200-K211 WeakPolarHBondContact O-CB 3.44Å
212	T	95.3	Very high	94.8	Very high	33 Å²	33	55 Å²	55	20%	0.202	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.4	177.9	-57.3	0	0	0	0	108.4	V139 G141 C199 K200 W214	V139-T212 CarbonylContact O-C 3.55Å; V139-T212 WeakPolarHBondContact O-CA 3.26Å; G141-T212 VanDerWaalsContact C-CG2 3.46Å; C199-T212 CarbonylContact C-O 3.53Å; C199-T212 VanDerWaalsContact CA-O 3.23Å; C199-T212 WeakPolarHBondContact CA-O 3.31Å; K200-T212 PolarHBondContact N-O 2.8Å; K200-T212 PolarHBondContact O-N 3.17Å; T212-W214 WeakPolarHBondContact O-CZ3 3.32Å
213	C	96.4	Very high	95	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.1	-175	-53.2	0	0	0	0	111.5	L134 V139 W140 G141 V197 T198 C199	L134-C213 HydrophobicContact CD1-CB 4.5Å; L134-C213 HydrophobicContact CD2-CB 4.24Å; V139-C213 PolarHBondContact O-N 2.95Å; W140-C213 HydrophobicContact CE3-CB 4.42Å; W140-C213 VanDerWaalsContact CE3-O 3.25Å; G141-C213 PolarHBondContact N-O 3.45Å; G141-C213 CarbonylContact O-C 3.49Å; V197-C213 HydrophobicContact CG1-CB 3.59Å; T198-C213 CarbonylContact O-C 3.53Å; T198-C213 WeakPolarHBondContact O-CA 3.43Å; C199-C213 HydrophobicContact CB-CB 4Å; C199-C213 WeakPolarHBondContact CB-SG 3.38Å; C199-C213 WeakPolarHBondContact SG-CB 3.38Å; C199-C213 CovalentContact SG-SG 2.04Å; C199-C213 PolarHBondContact SG-SG 2.91Å
214	W	96	Very high	95.4	Very high	51 Å²	51	49.8 Å²	49.8	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	168.9	177.9	56.8	91	0	0	0	111.1	G141 V197 T198 K200 T212	G141-W214 WeakPolarHBondContact O-CB 3.42Å; V197-W214 WeakPolarHBondContact CA-O 3.36Å; T198-W214 HydrophobicContact CG2-CZ2 4.36Å; T198-W214 PolarHBondContact N-O 3.16Å; T198-W214 PolarHBondContact O-N 2.88Å; K200-W214 HydrophobicContact CB-CH2 3.55Å; K200-W214 HydrophobicContact CB-CZ3 3.8Å; T212-W214 WeakPolarHBondContact O-CZ3 3.32Å
215	K	96.1	Very high	95.6	Very high	34 Å²	34	48.2 Å²	48.2	15%	0.148	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.4	173.1	-166.3	63.4	153.3	166.4	0	110.5	N126 E128 W140 G144 D145 I147 S195	N126-K215 WeakPolarHBondContact ND2-CB 3.41Å; E128-K215 WeakPolarHBondContact OE2-CE 3.46Å; W140-K215 HydrophobicContact CH2-CB 4.01Å; G144-K215 CarbonylContact C-O 3.21Å; G144-K215 WeakPolarHBondContact CA-O 3.42Å; D145-K215 PolarHBondContact N-O 3.24Å; I147-K215 HydrophobicContact CD1-CG 4.2Å; S195-K215 PolarHBondContact O-NZ 2.85Å; S195-K215 VanDerWaalsContact O-NZ 3.07Å; S195-K215 WeakPolarHBondContact OG-CE 3.47Å; S195-K215 PolarHBondContact OG-NZ 2.75Å
216	Q	96.8	Very high	95.8	Very high	46 Å²	46	43.5 Å²	43.5	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.2	177.2	-161.8	-179.9	16.8	0	0	110.6	D145 S195 R196 T198	D145-Q216 WeakPolarHBondContact OD2-CA 2.95Å; D145-Q216 WeakPolarHBondContact OD2-CG 3.21Å; S195-Q216 CarbonylContact C-O 3.56Å; S195-Q216 VanDerWaalsContact CA-O 3.29Å; S195-Q216 WeakPolarHBondContact CA-O 3.44Å; S195-Q216 WeakPolarHBondContact CB-O 3.46Å; R196-Q216 PolarHBondContact N-O 2.84Å; R196-Q216 PolarHBondContact O-N 3.27Å; T198-Q216 VanDerWaalsContact CG2-OE1 3.29Å; T198-Q216 WeakPolarHBondContact OG1-CB 3.14Å; T198-Q216 PolarHBondContact OG1-OE1 2.88Å
217	A	97.1	Very high	96.1	Very high	1 Å²	1	41 Å²	41	1%	0.008	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-68.3	149.6	169.6	0	0	0	0	0	110	D145 I147 I191	D145-A217 HydrophobicContact CB-CB 4.39Å; D145-A217 PolarHBondContact OD2-N 2.77Å; I147-A217 HydrophobicContact CD1-CB 3.99Å; I147-A217 HydrophobicContact CG1-CB 4.29Å; I191-A217 HydrophobicContact CG2-CB 4.22Å
218	P	97.2	Very high	96.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.019	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-57.4	159.7	168.4	27.8	-36.6	0	0	0	110.9	H109 R113 K194 E222 L223	H109-P218 PolarHBondContact CD2-O 3.38Å; H109-P218 VanDerWaalsContact CD2-O 3.3Å; H109-P218 PolarHBondContact NE2-O 2.9Å; H109-P218 VanDerWaalsContact NE2-O 3.14Å; R113-P218 PolarHBondContact NH2-O 2.78Å; K194-P218 HydrophobicContact CB-CG 4.14Å; P218-E222 HydrophobicContact CB-CB 3.96Å; P218-L223 HydrophobicContact CB-CD2 4.38Å; P218-L223 HydrophobicContact CB-CG 4.37Å; P218-L223 HydrophobicContact CG-CD1 4.35Å; P218-L223 HydrophobicContact CG-CD2 3.41Å; P218-L223 VanDerWaalsContact CG-CD2 3.41Å; P218-L223 HydrophobicContact CG-CG 3.73Å
219	S	97.5	Very high	96.5	Very high	42 Å²	42	41 Å²	41	29%	0.294	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-63.5	157	169.1	64.7	0	0	0	0	111.2	R221 E222 L223	S219-R221 PolarHBondContact O-N 3.26Å; S219-E222 VanDerWaalsContact CB-OE2 3.31Å; S219-E222 WeakPolarHBondContact CB-OE2 3.3Å; S219-E222 PolarHBondContact N-OE2 2.67Å; S219-E222 PolarHBondContact O-N 3.37Å; S219-E222 WeakPolarHBondContact OG-CB 3.46Å; S219-E222 VanDerWaalsContact OG-CG 3.3Å; S219-E222 WeakPolarHBondContact OG-CG 3.49Å; S219-E222 PolarHBondContact OG-N 2.91Å; S219-E222 PolarHBondContact OG-OE2 2.97Å; S219-L223 PolarHBondContact O-N 2.84Å
220	I	97.6	Very high	96.7	Very high	34 Å²	34	41 Å²	41	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-31.8	176.8	-159.2	170.1	0	0	0	112	N60 E64 M102 L223 G224	N60-I220 HydrophobicContact CB-CD1 3.49Å; N60-I220 VanDerWaalsContact CB-CD1 3.49Å; N60-I220 WeakPolarHBondContact O-CD1 3.47Å; E64-I220 HydrophobicContact CB-CD1 4.5Å; E64-I220 HydrophobicContact CB-CG1 4.38Å; E64-I220 HydrophobicContact CG-CG1 4.43Å; M102-I220 HydrophobicContact CE-CD1 3.94Å; M102-I220 HydrophobicContact CE-CG1 3.53Å; I220-L223 WeakPolarHBondContact O-CB 3.5Å; I220-L223 PolarHBondContact O-N 2.94Å; I220-G224 PolarHBondContact O-N 3.03Å
221	R	98.3	Very high	96.9	Very high	90 Å²	90	37.4 Å²	37.4	34%	0.34	18%	0.176	S	C	.	.	H	α-helix	trans	-61.1	-50.2	172	-179.3	55	50.4	72	2.2	112.2	E64 W67 S219 L223 G224 E225	E64-R221 WeakPolarHBondContact OE1-CD 3.17Å; E64-R221 IonicContact OE1-NE 3.27Å; E64-R221 PolarHBondContact OE1-NE 3.03Å; E64-R221 IonicContact OE2-CZ 2.83Å; E64-R221 IonicContact OE2-NE 2.86Å; E64-R221 PolarHBondContact OE2-NE 2.87Å; E64-R221 IonicContact OE2-NH2 2.91Å; E64-R221 PolarHBondContact OE2-NH2 2.98Å; W67-R221 VanDerWaalsContact CD1-CZ 3.49Å; W67-R221 VanDerWaalsContact CD1-NE 3.33Å; S219-R221 PolarHBondContact O-N 3.26Å; R221-L223 VanDerWaalsContact C-N 3.25Å; R221-L223 PolarHBondContact O-N 3.23Å; R221-G224 PolarHBondContact O-N 3.49Å; R221-G224 VanDerWaalsContact O-N 3.16Å; R221-E225 WeakPolarHBondContact CD-OE1 3.04Å; R221-E225 WeakPolarHBondContact CG-OE1 3.23Å; R221-E225 WeakPolarHBondContact O-CG 3.3Å; R221-E225 PolarHBondContact O-N 2.78Å
222	E	98.1	Very high	97	Very high	53 Å²	53	40.3 Å²	40.3	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-37.2	175.6	-77.3	164.8	113.8	0	0	111.2	R196 P218 S219 I226	R196-E222 IonicContact CZ-OE1 3.5Å; R196-E222 IonicContact NH1-OE1 3.77Å; R196-E222 PolarHBondContact NH1-OE1 2.83Å; R196-E222 IonicContact NH2-OE1 3.74Å; R196-E222 IonicContact NH2-OE2 3.54Å; P218-E222 HydrophobicContact CB-CB 3.96Å; S219-E222 VanDerWaalsContact CB-OE2 3.31Å; S219-E222 WeakPolarHBondContact CB-OE2 3.3Å; S219-E222 PolarHBondContact N-OE2 2.67Å; S219-E222 PolarHBondContact O-N 3.37Å; S219-E222 WeakPolarHBondContact OG-CB 3.46Å; S219-E222 VanDerWaalsContact OG-CG 3.3Å; S219-E222 WeakPolarHBondContact OG-CG 3.49Å; S219-E222 PolarHBondContact OG-N 2.91Å; S219-E222 PolarHBondContact OG-OE2 2.97Å; E222-I226 VanDerWaalsContact O-CD1 3.26Å; E222-I226 WeakPolarHBondContact O-CD1 3.01Å; E222-I226 WeakPolarHBondContact O-CG1 3.16Å; E222-I226 PolarHBondContact O-N 3.15Å; E222-I226 VanDerWaalsContact O-N 3.12Å
223	L	98	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-45.4	174.5	-69.5	173.5	0	0	0	112.2	A105 H109 V190 I191 P218 S219 I220 R221 I226 L227	A105-L223 HydrophobicContact CB-CD1 4.48Å; H109-L223 HydrophobicContact CB-CD1 4.22Å; V190-L223 HydrophobicContact CG1-CD2 3.7Å; I191-L223 HydrophobicContact CD1-CD1 4.18Å; I191-L223 HydrophobicContact CG1-CD1 3.78Å; I191-L223 HydrophobicContact CG1-CD2 3.68Å; I191-L223 HydrophobicContact CG1-CG 4.41Å; P218-L223 HydrophobicContact CB-CD2 4.38Å; P218-L223 HydrophobicContact CB-CG 4.37Å; P218-L223 HydrophobicContact CG-CD1 4.35Å; P218-L223 HydrophobicContact CG-CD2 3.41Å; P218-L223 VanDerWaalsContact CG-CD2 3.41Å; P218-L223 HydrophobicContact CG-CG 3.73Å; S219-L223 PolarHBondContact O-N 2.84Å; I220-L223 WeakPolarHBondContact O-CB 3.5Å; I220-L223 PolarHBondContact O-N 2.94Å; R221-L223 VanDerWaalsContact C-N 3.25Å; R221-L223 PolarHBondContact O-N 3.23Å; L223-I226 PolarHBondContact O-N 3.29Å; L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.46Å; L223-L227 PolarHBondContact O-N 3.4Å
224	G	98.2	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.4	0	0	0	0	0	112.2	I220 R221 L227 L228	I220-G224 PolarHBondContact O-N 3.03Å; R221-G224 PolarHBondContact O-N 3.49Å; R221-G224 VanDerWaalsContact O-N 3.16Å; G224-L227 PolarHBondContact O-N 3.13Å; G224-L228 WeakPolarHBondContact O-CB 3.37Å; G224-L228 PolarHBondContact O-N 2.87Å
225	E	98.1	Very high	96.6	Very high	94 Å²	94	39.7 Å²	39.7	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-48.7	177.1	-70.8	166.8	-175.1	0	0	111.6	R221 L227 L228 D229	R221-E225 WeakPolarHBondContact CD-OE1 3.04Å; R221-E225 WeakPolarHBondContact CG-OE1 3.23Å; R221-E225 WeakPolarHBondContact O-CG 3.3Å; R221-E225 PolarHBondContact O-N 2.78Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.04Å; E225-L228 WeakPolarHBondContact O-CB 3.33Å; E225-L228 PolarHBondContact O-N 3.37Å; E225-L228 VanDerWaalsContact O-N 3.15Å; E225-D229 PolarHBondContact O-N 2.9Å; E225-D229 VanDerWaalsContact O-N 3.09Å
226	I	97.6	Very high	96.4	Very high	32 Å²	32	42.5 Å²	42.5	16%	0.164	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-38.9	179.5	-66.9	163	0	0	0	111.6	V190 K194 E222 L223 L228 R230	V190-I226 HydrophobicContact CG1-CB 4.27Å; V190-I226 HydrophobicContact CG1-CG2 3.7Å; V190-I226 HydrophobicContact CG2-CG2 4.39Å; K194-I226 HydrophobicContact CB-CD1 4.17Å; K194-I226 HydrophobicContact CD-CD1 3.89Å; K194-I226 HydrophobicContact CG-CD1 3.65Å; E222-I226 VanDerWaalsContact O-CD1 3.26Å; E222-I226 WeakPolarHBondContact O-CD1 3.01Å; E222-I226 WeakPolarHBondContact O-CG1 3.16Å; E222-I226 PolarHBondContact O-N 3.15Å; E222-I226 VanDerWaalsContact O-N 3.12Å; L223-I226 PolarHBondContact O-N 3.29Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.47Å; I226-R230 PolarHBondContact O-N 2.04Å
227	L	97.9	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-29.8	177	-73.5	174.6	0	0	0	111.8	F98 A101 M102 A105 V190 L223 G224 E225 R230 Y231	F98-L227 HydrophobicContact CD2-CB 4Å; F98-L227 HydrophobicContact CE2-CB 3.64Å; F98-L227 HydrophobicContact CZ-CB 4.48Å; A101-L227 HydrophobicContact CB-CD1 4.28Å; A101-L227 HydrophobicContact CB-CD2 3.94Å; M102-L227 HydrophobicContact CB-CD1 4.26Å; M102-L227 HydrophobicContact SD-CD1 3.8Å; A105-L227 HydrophobicContact CB-CD1 4.27Å; V190-L227 HydrophobicContact CG2-CD2 3.94Å; L223-L227 WeakPolarHBondContact O-CB 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.46Å; L223-L227 PolarHBondContact O-N 3.4Å; G224-L227 PolarHBondContact O-N 3.13Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.04Å; L227-R230 CarbonylContact O-C 3.46Å; L227-R230 PolarHBondContact O-N 3.5Å; L227-Y231 WeakPolarHBondContact O-CB 3.3Å; L227-Y231 PolarHBondContact O-N 3.19Å
228	L	97.2	Very high	96	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-42.5	175.5	-173.1	65.8	0	0	0	110.8	Q68 F69 F98 G224 E225 I226 R230 Y231 D232	Q68-L228 HydrophobicContact CB-CD1 4.47Å; Q68-L228 HydrophobicContact CB-CD2 4.35Å; Q68-L228 VanDerWaalsContact OE1-CD2 3.25Å; F69-L228 HydrophobicContact CE2-CD1 3.9Å; F69-L228 HydrophobicContact CZ-CD1 3.95Å; F98-L228 HydrophobicContact CE2-CB 4.28Å; G224-L228 WeakPolarHBondContact O-CB 3.37Å; G224-L228 PolarHBondContact O-N 2.87Å; E225-L228 WeakPolarHBondContact O-CB 3.33Å; E225-L228 PolarHBondContact O-N 3.37Å; E225-L228 VanDerWaalsContact O-N 3.15Å; I226-L228 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 2.91Å; L228-Y231 HydrophobicContact CD1-CD1 4.08Å; L228-Y231 WeakPolarHBondContact O-CA 3.37Å; L228-Y231 VanDerWaalsContact O-CB 3.3Å; L228-Y231 WeakPolarHBondContact O-CB 3.07Å; L228-Y231 PolarHBondContact O-N 2.86Å; L228-D232 PolarHBondContact O-N 3.09Å
229	D	96.2	Very high	95.7	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-35.3	172.2	-70.6	-16.7	0	0	0	112.1	E225 S233	E225-D229 PolarHBondContact O-N 2.9Å; E225-D229 VanDerWaalsContact O-N 3.09Å; D229-S233 PolarHBondContact O-N 2.86Å; D229-S233 PolarHBondContact O-OG 3.17Å
230	R	95.4	Very high	95.4	Very high	83 Å²	83	46.9 Å²	46.9	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-75.7	-28	176.3	-65.4	-67.3	175.4	-109.6	-3	112.7	I226 L227 L228 S233 A234 M259 L261	I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.47Å; I226-R230 PolarHBondContact O-N 2.04Å; L227-R230 CarbonylContact O-C 3.46Å; L227-R230 PolarHBondContact O-N 3.5Å; L228-R230 PolarHBondContact O-N 2.91Å; R230-S233 CarbonylContact O-C 3.53Å; R230-A234 WeakPolarHBondContact O-CA 3.02Å; R230-A234 PolarHBondContact O-N 2.93Å; R230-M259 WeakPolarHBondContact CD-O 3.38Å; R230-L261 HydrophobicContact CB-CD1 4.14Å; R230-L261 HydrophobicContact CB-CG 4.01Å
231	Y	96.2	Very high	95	Very high	32 Å²	32	57 Å²	57	13%	0.125	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-47.6	171	163.2	-85.5	0	0	0	110.7	F69 P94 E95 F98 L227 L228 S233 A234	F69-Y231 HydrophobicContact CE1-CD1 4.36Å; F69-Y231 HydrophobicContact CE1-CD2 4.38Å; F69-Y231 AromaticContact CE1-CE1 3.92Å; F69-Y231 HydrophobicContact CE1-CE1 3.92Å; F69-Y231 AromaticContact CE1-CE2 3.87Å; F69-Y231 HydrophobicContact CE1-CE2 3.87Å; F69-Y231 AromaticContact CE1-CZ 3.65Å; F69-Y231 HydrophobicContact CZ-CD1 4.03Å; F69-Y231 AromaticContact CZ-CD2 3.8Å; F69-Y231 HydrophobicContact CZ-CD2 3.8Å; F69-Y231 HydrophobicContact CZ-CE1 4.05Å; F69-Y231 AromaticContact CZ-CE2 3.74Å; F69-Y231 HydrophobicContact CZ-CE2 3.74Å; F69-Y231 AromaticContact CZ-CG 3.93Å; F69-Y231 HydrophobicContact CZ-CG 3.93Å; F69-Y231 AromaticContact CZ-CZ 3.89Å; P94-Y231 VanDerWaalsContact C-CE2 3.48Å; P94-Y231 HydrophobicContact CB-CD2 3.9Å; P94-Y231 HydrophobicContact CB-CE2 3.51Å; P94-Y231 WeakPolarHBondContact O-CD2 3.42Å; E95-Y231 HydrophobicContact CG-CE2 4.01Å; E95-Y231 PolarHBondContact OE1-OH 3.15Å; F98-Y231 HydrophobicContact CB-CD2 3.9Å; F98-Y231 HydrophobicContact CB-CG 4.47Å; L227-Y231 WeakPolarHBondContact O-CB 3.3Å; L227-Y231 PolarHBondContact O-N 3.19Å; L228-Y231 HydrophobicContact CD1-CD1 4.08Å; L228-Y231 WeakPolarHBondContact O-CA 3.37Å; L228-Y231 VanDerWaalsContact O-CB 3.3Å; L228-Y231 WeakPolarHBondContact O-CB 3.07Å; L228-Y231 PolarHBondContact O-N 2.86Å; Y231-S233 PolarHBondContact O-N 2.97Å; Y231-A234 WeakPolarHBondContact O-CB 3.25Å; Y231-A234 PolarHBondContact O-N 3.44Å; Y231-A234 VanDerWaalsContact O-N 3.09Å
232	D	94.7	Very high	94.7	Very high	94 Å²	94	62.6 Å²	62.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-23.1	180	-72.7	-33.8	0	0	0	112.5	R72 L228	R72-D232 IonicContact CZ-OD1 3.26Å; R72-D232 VanDerWaalsContact CZ-OD1 3.27Å; R72-D232 IonicContact CZ-OD2 3.49Å; R72-D232 IonicContact NH1-OD1 3.42Å; R72-D232 PolarHBondContact NH1-OD1 3.45Å; R72-D232 VanDerWaalsContact NH2-CG 3.29Å; R72-D232 IonicContact NH2-OD1 2.77Å; R72-D232 PolarHBondContact NH2-OD1 3.32Å; R72-D232 IonicContact NH2-OD2 3.89Å; R72-D232 PolarHBondContact NH2-OD2 3.44Å; L228-D232 PolarHBondContact O-N 3.09Å
233	S	92.8	Very high	94.2	Very high	37 Å²	37	60.1 Å²	60.1	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	9.6	176.8	56.5	0	0	0	0	114.4	D229 R230 Y231 R254	D229-S233 PolarHBondContact O-N 2.86Å; D229-S233 PolarHBondContact O-OG 3.17Å; R230-S233 CarbonylContact O-C 3.53Å; Y231-S233 PolarHBondContact O-N 2.97Å; S233-R254 PolarHBondContact O-NH2 2.76Å
234	A	94.3	Very high	93.8	Very high	18 Å²	18	64.5 Å²	64.5	15%	0.149	29%	0.293	C	S	.	.			trans	-59.8	150.1	-175.1	0	0	0	0	0	112.8	R230 Y231 L261 Y263	R230-A234 WeakPolarHBondContact O-CA 3.02Å; R230-A234 PolarHBondContact O-N 2.93Å; Y231-A234 WeakPolarHBondContact O-CB 3.25Å; Y231-A234 PolarHBondContact O-N 3.44Å; Y231-A234 VanDerWaalsContact O-N 3.09Å; A234-L261 WeakPolarHBondContact CA-O 3.39Å; A234-L261 HydrophobicContact CB-CB 4.04Å; A234-Y263 HydrophobicContact CB-CD1 4.1Å; A234-Y263 HydrophobicContact CB-CE1 4.39Å
235	V	92.7	Very high	93.5	Very high	16 Å²	16	66.5 Å²	66.5	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.9	-171.4	-62.2	0	0	0	0	112.6	L247 A256 D260 L261 V262 Y263	V235-L247 HydrophobicContact CB-CD2 3.71Å; V235-L247 HydrophobicContact CG1-CD2 4.49Å; V235-L247 HydrophobicContact CG2-CD2 3.53Å; V235-A256 HydrophobicContact CG2-CB 4.2Å; V235-D260 HydrophobicContact CG2-CB 4.4Å; V235-L261 PolarHBondContact N-O 3.22Å; V235-V262 HydrophobicContact CG2-CG1 3.81Å; V235-V262 WeakPolarHBondContact O-CA 3.49Å; V235-Y263 VanDerWaalsContact C-CE1 3.48Å; V235-Y263 WeakPolarHBondContact O-CD1 3.28Å; V235-Y263 PolarHBondContact O-N 3.46Å; V235-Y263 VanDerWaalsContact O-N 3.1Å
236	R	93.3	Very high	93	Very high	93 Å²	93	66.7 Å²	66.7	35%	0.351	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.7	177.2	-161.6	178.4	173.9	179.1	1.4	111.4	V248 Y263 L264 D266	R236-V248 HydrophobicContact CB-CB 4.49Å; R236-V248 HydrophobicContact CB-CG2 4.21Å; R236-V248 HydrophobicContact CG-CB 4.48Å; R236-V248 HydrophobicContact CG-CG2 3.8Å; R236-V248 PolarHBondContact O-N 2.85Å; R236-Y263 CarbonylContact C-O 3.54Å; R236-Y263 WeakPolarHBondContact CA-O 3.45Å; R236-Y263 HydrophobicContact CB-CD2 4.38Å; R236-Y263 HydrophobicContact CB-CE1 4.06Å; R236-Y263 HydrophobicContact CB-CE2 3.76Å; R236-Y263 HydrophobicContact CG-CD2 4.08Å; R236-Y263 HydrophobicContact CG-CE2 3.65Å; R236-L264 PolarHBondContact NE-O 2.95Å; R236-L264 VanDerWaalsContact NE-O 3.1Å; R236-D266 IonicContact CZ-OD1 3.74Å; R236-D266 IonicContact CZ-OD2 3.62Å; R236-D266 VanDerWaalsContact CZ-OD2 3.26Å; R236-D266 IonicContact NE-OD1 2.95Å; R236-D266 VanDerWaalsContact NH1-CG 3.3Å; R236-D266 IonicContact NH1-OD1 2.98Å; R236-D266 PolarHBondContact NH1-OD1 3.39Å; R236-D266 IonicContact NH1-OD2 2.82Å; R236-D266 PolarHBondContact NH1-OD2 3.33Å; R236-D266 IonicContact NH2-OD2 3.56Å; R236-D266 PolarHBondContact NH2-OD2 3.12Å
237	V	92.9	Very high	92.5	Very high	8 Å²	8	67.3 Å²	67.3	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	162.7	177.3	-63.4	0	0	0	0	111.8	L245 Q246 L247 V262 Y263 L264	V237-L245 HydrophobicContact CB-CB 4.47Å; V237-L245 HydrophobicContact CG2-CD1 4.46Å; V237-L245 HydrophobicContact CG2-CD2 4.02Å; V237-Q246 CarbonylContact C-O 3.53Å; V237-Q246 VanDerWaalsContact CA-O 3.24Å; V237-Q246 WeakPolarHBondContact CA-O 2.98Å; V237-L247 HydrophobicContact CG1-CD2 4.08Å; V237-V262 HydrophobicContact CG1-CB 3.89Å; V237-V262 HydrophobicContact CG1-CG1 3.92Å; V237-V262 HydrophobicContact CG2-CB 3.92Å; V237-V262 HydrophobicContact CG2-CG2 4.19Å; V237-Y263 WeakPolarHBondContact CG2-O 3.44Å; V237-Y263 PolarHBondContact N-O 2.94Å; V237-L264 HydrophobicContact CG2-CD2 3.89Å; V237-L264 HydrophobicContact CG2-CG 4.48Å
238	K	92.4	Very high	91.8	Very high	105 Å²	105	69.7 Å²	69.7	46%	0.457	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.1	170.7	62.5	-179.7	179.9	-175.7	0	109.6	L245 Q246 V248	K238-L245 CarbonylContact O-C 3.56Å; K238-Q246 PolarHBondContact N-O 3.36Å; K238-Q246 PolarHBondContact O-N 3.41Å; K238-V248 HydrophobicContact CB-CG2 3.99Å; K238-V248 HydrophobicContact CD-CG2 4.24Å; K238-V248 HydrophobicContact CG-CG2 4.03Å
239	I	91.3	Very high	90.5	Very high	35 Å²	35	76.9 Å²	76.9	18%	0.179	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133	170.1	-72.4	-179.3	0	0	0	110	H170 Y174 A175	H170-I239 VanDerWaalsContact ND1-CG2 3.29Å; H170-I239 WeakPolarHBondContact ND1-CG2 3.23Å; Y174-I239 HydrophobicContact CD1-CD1 3.53Å; Y174-I239 HydrophobicContact CE1-CD1 4.06Å; A175-I239 HydrophobicContact CB-CD1 3.37Å; A175-I239 HydrophobicContact CB-CG1 3.69Å
240	N	90.4	Very high	88.6	Confident	36 Å²	36	78.3 Å²	78.3	19%	0.193	36%	0.36	C	S	.	.			trans	-86.1	173.6	170.1	72.5	17.4	0	0	0	112.2	H170 R242 G243 N244 Q246	H170-N240 PolarHBondContact CE1-O 2.96Å; H170-N240 PolarHBondContact ND1-O 3.33Å; N240-R242 PolarHBondContact O-N 3.34Å; N240-R242 WeakPolarHBondContact OD1-CA 3.48Å; N240-R242 WeakPolarHBondContact OD1-CB 3.42Å; N240-R242 PolarHBondContact OD1-N 2.89Å; N240-G243 PolarHBondContact O-N 3.08Å; N240-G243 PolarHBondContact OD1-N 3.34Å; N240-G243 VanDerWaalsContact OD1-N 3.09Å; N240-N244 VanDerWaalsContact CG-O 3.24Å; N240-N244 PolarHBondContact N-O 2.78Å; N240-N244 PolarHBondContact OD1-N 3.39Å; N240-N244 PolarHBondContact OD1-O 2.99Å; N240-Q246 HydrophobicContact CB-CB 4.04Å
241	R	89.9	Confident	86.7	Confident	245 Å²	245	78.6 Å²	78.6	93%	0.925	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.8	177.9	-66.1	-175.3	-178.7	175.4	-0.2	114.6	H170	H170-R241 PolarHBondContact CE1-O 3.06Å
242	R	90.4	Very high	84.6	Confident	209 Å²	209	85 Å²	85	79%	0.789	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4	177.4	-61.4	-176.9	179	178.7	-1	113.3	N240	N240-R242 PolarHBondContact O-N 3.34Å; N240-R242 WeakPolarHBondContact OD1-CA 3.48Å; N240-R242 WeakPolarHBondContact OD1-CB 3.42Å; N240-R242 PolarHBondContact OD1-N 2.89Å
243	G	88.8	Confident	82.6	Confident	0 Å²	0	90.4 Å²	90.4	0%	0	42%	0.415	C	S	.	.	S	Bend	trans	84.9	14.2	-177.3	0	0	0	0	0	114.4	H170 Y174 L178 N240	H170-G243 PolarHBondContact CE1-N 3.36Å; Y174-G243 WeakPolarHBondContact CE1-O 3.46Å; Y174-G243 PolarHBondContact OH-O 3.46Å; L178-G243 WeakPolarHBondContact CD1-O 3.41Å; N240-G243 PolarHBondContact O-N 3.08Å; N240-G243 PolarHBondContact OD1-N 3.34Å; N240-G243 VanDerWaalsContact OD1-N 3.09Å
244	N	90.2	Very high	81	Confident	92 Å²	92	93.8 Å²	93.8	49%	0.492	42%	0.422	S	S	.	.	S	Bend	trans	-104.5	153.3	177.9	-64.6	-34.1	0	0	0	111.1	N240	N240-N244 VanDerWaalsContact CG-O 3.24Å; N240-N244 PolarHBondContact N-O 2.78Å; N240-N244 PolarHBondContact OD1-N 3.39Å; N240-N244 PolarHBondContact OD1-O 2.99Å
245	L	90.1	Very high	79.2	Confident	43 Å²	43	103.6 Å²	103.6	23%	0.225	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	133.9	171.6	-62.5	177.6	0	0	0	110.5	L178 W182 V237 K238 V262 L264	L178-L245 HydrophobicContact CB-CD1 3.95Å; L178-L245 HydrophobicContact CB-CD2 4.14Å; L178-L245 HydrophobicContact CB-CG 3.96Å; L178-L245 HydrophobicContact CD1-CD2 4.5Å; L178-L245 HydrophobicContact CD1-CG 4.32Å; W182-L245 HydrophobicContact CB-CD1 4.48Å; V237-L245 HydrophobicContact CB-CB 4.47Å; V237-L245 HydrophobicContact CG2-CD1 4.46Å; V237-L245 HydrophobicContact CG2-CD2 4.02Å; K238-L245 CarbonylContact O-C 3.56Å; L245-V262 HydrophobicContact CD1-CG2 4.4Å; L245-L264 HydrophobicContact CD2-CD2 4.38Å
246	Q	88.9	Confident	77.5	Confident	98 Å²	98	104 Å²	104	46%	0.458	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.1	177	-178.5	178.7	10.6	0	0	109.4	V237 K238 N240	V237-Q246 CarbonylContact C-O 3.53Å; V237-Q246 VanDerWaalsContact CA-O 3.24Å; V237-Q246 WeakPolarHBondContact CA-O 2.98Å; K238-Q246 PolarHBondContact N-O 3.36Å; K238-Q246 PolarHBondContact O-N 3.41Å; N240-Q246 HydrophobicContact CB-CB 4.04Å
247	L	86.5	Confident	76.2	Confident	44 Å²	44	102 Å²	102	23%	0.23	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.3	174.4	-66.7	169.2	0	0	0	111.8	V235 V237 R254 A256	V235-L247 HydrophobicContact CB-CD2 3.71Å; V235-L247 HydrophobicContact CG1-CD2 4.49Å; V235-L247 HydrophobicContact CG2-CD2 3.53Å; V237-L247 HydrophobicContact CG1-CD2 4.08Å; L247-R254 WeakPolarHBondContact CD1-O 3.43Å; L247-A256 HydrophobicContact CD1-CB 4.3Å; L247-A256 HydrophobicContact CD2-CB 4.25Å
248	V	82.9	Confident	75.3	Confident	50 Å²	50	107.6 Å²	107.6	30%	0.303	49%	0.489	S	S	.	.	S	Bend	trans	-68.7	-38.6	-178.9	175.4	0	0	0	0	111.7	R236 K238	R236-V248 HydrophobicContact CB-CB 4.49Å; R236-V248 HydrophobicContact CB-CG2 4.21Å; R236-V248 HydrophobicContact CG-CB 4.48Å; R236-V248 HydrophobicContact CG-CG2 3.8Å; R236-V248 PolarHBondContact O-N 2.85Å; K238-V248 HydrophobicContact CB-CG2 3.99Å; K238-V248 HydrophobicContact CD-CG2 4.24Å; K238-V248 HydrophobicContact CG-CG2 4.03Å
249	K	70.9	Confident	75	Confident	174 Å²	174	103.2 Å²	103.2	76%	0.757	47%	0.471	S	S	*	.	S	Bend	trans	-108.1	143	178.9	-70.4	-175.9	178.4	178.3	0	110.8	D251	K249-D251 PolarHBondContact O-N 3.5Å
250	N	55.5	Low	75.1	Confident	132 Å²	132	102.2 Å²	102.2	71%	0.706	47%	0.466	S	S	*	.			trans	-77.2	50.7	-172.8	-140	6.9	0	0	0	111.4	K252	N250-K252 PolarHBondContact O-N 3.28Å; N250-K252 WeakPolarHBondContact OD1-CE 3.48Å
251	D	55.7	Low	75.3	Confident	89 Å²	89	100.5 Å²	100.5	48%	0.476	46%	0.456	S	S	.	.			trans	-77.1	66	173.4	-138.9	-0.5	0	0	0	107.5	K249 K253 R254	K249-D251 PolarHBondContact O-N 3.5Å; D251-K253 PolarHBondContact O-N 3.43Å; D251-R254 HydrophobicContact CB-CB 4.37Å; D251-R254 CarbonylContact O-C 3.22Å; D251-R254 VanDerWaalsContact O-C 3.22Å; D251-R254 WeakPolarHBondContact O-CA 3.3Å; D251-R254 PolarHBondContact O-N 2.66Å
252	K	51.6	Low	75.6	Confident	168 Å²	168	89 Å²	89	73%	0.73	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.8	-176.2	-71.5	-176.9	178.7	177.8	0	112	N250	N250-K252 PolarHBondContact O-N 3.28Å; N250-K252 WeakPolarHBondContact OD1-CE 3.48Å
253	K	53.7	Low	75.8	Confident	206 Å²	206	81 Å²	81	90%	0.896	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-32	173.7	-67	-173.5	176.9	-177.9	0	113.4	D251	D251-K253 PolarHBondContact O-N 3.43Å
254	R	59.8	Low	76	Confident	109 Å²	109	82 Å²	82	41%	0.411	39%	0.389	S	S	.	.			trans	-100.4	74.6	168.4	-79.8	179.4	77.9	-173.9	4.3	109.1	S233 L247 D251 A256	S233-R254 PolarHBondContact O-NH2 2.76Å; L247-R254 WeakPolarHBondContact CD1-O 3.43Å; D251-R254 HydrophobicContact CB-CB 4.37Å; D251-R254 CarbonylContact O-C 3.22Å; D251-R254 VanDerWaalsContact O-C 3.22Å; D251-R254 WeakPolarHBondContact O-CA 3.3Å; D251-R254 PolarHBondContact O-N 2.66Å; R254-A256 PolarHBondContact O-N 3.27Å
255	R	55.9	Low	76.2	Confident	224 Å²	224	79.1 Å²	79.1	85%	0.845	37%	0.373	S	S	*	.			trans	-56.4	115.1	151.5	-81.3	-175.6	176.4	-178.9	-0.1	104.8	A257	R255-A257 PolarHBondContact O-N 3.32Å
256	A	57.6	Low	76.3	Confident	25 Å²	25	81.3 Å²	81.3	21%	0.207	39%	0.385	C	S	.	.			trans	-38	114.8	-179.8	0	0	0	0	0	107.3	V235 L247 R254 Q258	V235-A256 HydrophobicContact CG2-CB 4.2Å; L247-A256 HydrophobicContact CD1-CB 4.3Å; L247-A256 HydrophobicContact CD2-CB 4.25Å; R254-A256 PolarHBondContact O-N 3.27Å; A256-Q258 PolarHBondContact O-N 2.83Å
257	A	65.1	Low	76.5	Confident	50 Å²	50	79.5 Å²	79.5	41%	0.413	38%	0.382	S	S	.	.			trans	-56.3	145.1	179.6	0	0	0	0	0	105.4	R255 M259 D260	R255-A257 PolarHBondContact O-N 3.32Å; A257-M259 PolarHBondContact O-N 3.46Å; A257-D260 PolarHBondContact N-OD2 2.98Å; A257-D260 PolarHBondContact O-N 3.14Å
258	Q	74.8	Confident	76.7	Confident	125 Å²	125	78.8 Å²	78.8	58%	0.584	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	7.1	-174.4	-64.4	176.1	1.5	0	0	114.7	K189 A256	K189-Q258 PolarHBondContact NZ-O 2.8Å; A256-Q258 PolarHBondContact O-N 2.83Å
259	M	85.7	Confident	77.2	Confident	14 Å²	14	80.6 Å²	80.6	7%	0.069	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	3.2	-173.7	-61.4	-57.7	-55.5	0	0	113.3	V186 K189 V190 R230 A257	V186-M259 HydrophobicContact CG1-CE 4.45Å; V186-M259 VanDerWaalsContact CG1-O 3.31Å; V186-M259 WeakPolarHBondContact CG1-O 3.28Å; K189-M259 HydrophobicContact CB-CE 3.49Å; K189-M259 VanDerWaalsContact CB-CE 3.49Å; K189-M259 HydrophobicContact CB-SD 3.38Å; K189-M259 WeakPolarHBondContact CB-SD 3.46Å; K189-M259 HydrophobicContact CD-SD 3.63Å; K189-M259 HydrophobicContact CG-SD 4.13Å; V190-M259 HydrophobicContact CB-CE 4.25Å; V190-M259 HydrophobicContact CG2-CE 3.43Å; V190-M259 VanDerWaalsContact CG2-CE 3.43Å; R230-M259 WeakPolarHBondContact CD-O 3.38Å; A257-M259 PolarHBondContact O-N 3.46Å
260	D	92.3	Very high	78.3	Confident	13 Å²	13	73.8 Å²	73.8	7%	0.07	36%	0.358	C	S	.	.			trans	-78.1	140	176.2	-66.8	-14.9	0	0	0	109.5	W182 V235 A257	W182-D260 PolarHBondContact NE1-O 3.46Å; V235-D260 HydrophobicContact CG2-CB 4.4Å; A257-D260 PolarHBondContact N-OD2 2.98Å; A257-D260 PolarHBondContact O-N 3.14Å
261	L	95.7	Very high	80.2	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.328	C	S	.	.			trans	-72.2	144	168.8	-66.1	179.6	0	0	0	109.8	A97 F98 A101 N183 V186 R230 A234 V235	A97-L261 HydrophobicContact CB-CB 4.21Å; F98-L261 HydrophobicContact CB-CD1 4.32Å; A101-L261 HydrophobicContact CB-CD2 3.53Å; N183-L261 HydrophobicContact CB-CD2 4.22Å; N183-L261 WeakPolarHBondContact OD1-CA 3.23Å; V186-L261 HydrophobicContact CB-CD2 4.08Å; V186-L261 HydrophobicContact CG1-CD2 3.75Å; V186-L261 HydrophobicContact CG1-CG 4.5Å; R230-L261 HydrophobicContact CB-CD1 4.14Å; R230-L261 HydrophobicContact CB-CG 4.01Å; A234-L261 WeakPolarHBondContact CA-O 3.39Å; A234-L261 HydrophobicContact CB-CB 4.04Å; V235-L261 PolarHBondContact N-O 3.22Å
262	V	95.1	Very high	82	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.9	-178.1	-56.7	0	0	0	0	111.3	A97 M179 W182 N183 V235 V237 L245	A97-V262 VanDerWaalsContact CB-O 3.3Å; A97-V262 WeakPolarHBondContact CB-O 3.47Å; M179-V262 HydrophobicContact CG-CG2 4Å; M179-V262 VanDerWaalsContact CG-O 3.28Å; M179-V262 WeakPolarHBondContact CG-O 3.33Å; W182-V262 HydrophobicContact CB-CG2 4.01Å; W182-V262 VanDerWaalsContact CD1-CG2 3.41Å; W182-V262 HydrophobicContact CD2-CG1 4.5Å; W182-V262 HydrophobicContact CD2-CG2 4.44Å; W182-V262 HydrophobicContact CG-CG1 4.42Å; W182-V262 HydrophobicContact CG-CG2 3.7Å; N183-V262 PolarHBondContact ND2-O 3.03Å; N183-V262 PolarHBondContact OD1-N 2.75Å; V235-V262 HydrophobicContact CG2-CG1 3.81Å; V235-V262 WeakPolarHBondContact O-CA 3.49Å; V237-V262 HydrophobicContact CG1-CB 3.89Å; V237-V262 HydrophobicContact CG1-CG1 3.92Å; V237-V262 HydrophobicContact CG2-CB 3.92Å; V237-V262 HydrophobicContact CG2-CG2 4.19Å; L245-V262 HydrophobicContact CD1-CG2 4.4Å
263	Y	95	Very high	83.9	Confident	43 Å²	43	66.2 Å²	66.2	17%	0.169	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.3	178.7	72.2	-88.1	0	0	0	111.5	G92 P94 A234 V235 R236 V237 D265	G92-Y263 WeakPolarHBondContact O-CB 3.44Å; P94-Y263 HydrophobicContact CB-CD1 4.47Å; P94-Y263 HydrophobicContact CG-CD1 3.77Å; P94-Y263 HydrophobicContact CG-CD2 3.96Å; P94-Y263 HydrophobicContact CG-CE1 4.02Å; P94-Y263 HydrophobicContact CG-CE2 4.22Å; P94-Y263 HydrophobicContact CG-CG 3.71Å; A234-Y263 HydrophobicContact CB-CD1 4.1Å; A234-Y263 HydrophobicContact CB-CE1 4.39Å; V235-Y263 VanDerWaalsContact C-CE1 3.48Å; V235-Y263 WeakPolarHBondContact O-CD1 3.28Å; V235-Y263 PolarHBondContact O-N 3.46Å; V235-Y263 VanDerWaalsContact O-N 3.1Å; R236-Y263 CarbonylContact C-O 3.54Å; R236-Y263 WeakPolarHBondContact CA-O 3.45Å; R236-Y263 HydrophobicContact CB-CD2 4.38Å; R236-Y263 HydrophobicContact CB-CE1 4.06Å; R236-Y263 HydrophobicContact CB-CE2 3.76Å; R236-Y263 HydrophobicContact CG-CD2 4.08Å; R236-Y263 HydrophobicContact CG-CE2 3.65Å; V237-Y263 WeakPolarHBondContact CG2-O 3.44Å; V237-Y263 PolarHBondContact N-O 2.94Å; Y263-D265 VanDerWaalsContact CD2-O 3.27Å; Y263-D265 WeakPolarHBondContact CD2-O 3.3Å
264	L	94.2	Very high	85.6	Confident	20 Å²	20	59.1 Å²	59.1	11%	0.105	29%	0.292	C	S	.	.	S	Bend	trans	-110.2	-49.5	-175.2	-66.3	164.6	0	0	0	112.1	G92 A175 K176 M179 R236 V237 L245	G92-L264 PolarHBondContact O-N 3.29Å; A175-L264 HydrophobicContact CB-CD1 3.83Å; A175-L264 HydrophobicContact CB-CD2 4.06Å; K176-L264 HydrophobicContact CB-CD1 4.18Å; M179-L264 HydrophobicContact CB-CD1 3.91Å; M179-L264 HydrophobicContact CB-CG 4.25Å; M179-L264 HydrophobicContact CG-CD1 4.33Å; M179-L264 HydrophobicContact CG-CG 4.27Å; M179-L264 HydrophobicContact SD-CB 4.36Å; M179-L264 HydrophobicContact SD-CD1 3.87Å; M179-L264 HydrophobicContact SD-CG 3.85Å; R236-L264 PolarHBondContact NE-O 2.95Å; R236-L264 VanDerWaalsContact NE-O 3.1Å; V237-L264 HydrophobicContact CG2-CD2 3.89Å; V237-L264 HydrophobicContact CG2-CG 4.48Å; L245-L264 HydrophobicContact CD2-CD2 4.38Å
265	D	93.1	Very high	86.8	Confident	31 Å²	31	61.4 Å²	61.4	17%	0.166	31%	0.307	C	S	.	.	S	Bend	trans	-98.6	142.2	-172.6	-62.4	-67.3	0	0	0	110.1	L91 G92 K172 Y263	L91-D265 HydrophobicContact CB-CB 4.35Å; G92-D265 PolarHBondContact N-OD2 2.97Å; G92-D265 PolarHBondContact O-N 3.43Å; K172-D265 VanDerWaalsContact CE-OD1 3.31Å; K172-D265 WeakPolarHBondContact CE-OD1 3.32Å; K172-D265 WeakPolarHBondContact CE-OD2 3.21Å; K172-D265 IonicContact NZ-OD1 3.79Å; K172-D265 PolarHBondContact NZ-OD1 2.94Å; K172-D265 IonicContact NZ-OD2 3.25Å; Y263-D265 VanDerWaalsContact CD2-O 3.27Å; Y263-D265 WeakPolarHBondContact CD2-O 3.3Å
266	D	92.9	Very high	88.1	Confident	89 Å²	89	59.8 Å²	59.8	48%	0.476	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-67.8	142.7	172.6	-60.3	-53.5	0	0	0	109.1	R236	R236-D266 IonicContact CZ-OD1 3.74Å; R236-D266 IonicContact CZ-OD2 3.62Å; R236-D266 VanDerWaalsContact CZ-OD2 3.26Å; R236-D266 IonicContact NE-OD1 2.95Å; R236-D266 VanDerWaalsContact NH1-CG 3.3Å; R236-D266 IonicContact NH1-OD1 2.98Å; R236-D266 PolarHBondContact NH1-OD1 3.39Å; R236-D266 IonicContact NH1-OD2 2.82Å; R236-D266 PolarHBondContact NH1-OD2 3.33Å; R236-D266 IonicContact NH2-OD2 3.56Å; R236-D266 PolarHBondContact NH2-OD2 3.12Å
267	P	92.5	Very high	89.2	Confident	61 Å²	61	60.6 Å²	60.6	40%	0.396	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60	141.6	179.7	-15.7	24.7	0	0	0	111.7	P94 Y270	P94-P267 HydrophobicContact CG-CG 4.12Å; P267-Y270 HydrophobicContact CB-CE2 3.91Å
268	P	92	Very high	89.9	Confident	29 Å²	29	60.1 Å²	60.1	19%	0.188	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.1	173.5	172.8	32.6	-37	0	0	0	111.5	L91 Y270 T277	L91-P268 HydrophobicContact CD1-CG 4.47Å; P268-Y270 HydrophobicContact CG-CD1 4.29Å; P268-Y270 HydrophobicContact CG-CE1 3.7Å; P268-Y270 HydrophobicContact CG-CE2 4.49Å; P268-Y270 PolarHBondContact O-N 3.3Å; P268-T277 HydrophobicContact CB-CG2 3.92Å
269	D	93.1	Very high	90.5	Very high	88 Å²	88	54.4 Å²	54.4	47%	0.471	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.4	125.4	163.3	179.3	27.7	0	0	0	109.2	C271 S272 T279	D269-C271 WeakPolarHBondContact OD1-CB 3.4Å; D269-C271 PolarHBondContact OD1-N 2.78Å; D269-C271 PolarHBondContact OD1-SG 3.38Å; D269-C271 VanDerWaalsContact OD1-SG 3.36Å; D269-S272 PolarHBondContact OD2-OG 3.32Å; D269-T279 WeakPolarHBondContact O-CG2 3.42Å; D269-T279 PolarHBondContact O-OG1 2.63Å
270	Y	94.1	Very high	90.6	Very high	30 Å²	30	56.2 Å²	56.2	12%	0.118	30%	0.3	C	S	.	.	S	Bend	trans	-97.9	-4.2	176.6	-67.8	-62.4	0	0	0	113.2	W74 E95 P267 P268 T279 G281	W74-Y270 HydrophobicContact CB-CD1 3.86Å; W74-Y270 HydrophobicContact CB-CD2 4.13Å; W74-Y270 HydrophobicContact CB-CE1 3.85Å; W74-Y270 HydrophobicContact CB-CE2 4.11Å; W74-Y270 HydrophobicContact CB-CG 4Å; W74-Y270 AromaticContact CD1-CE1 3.65Å; W74-Y270 HydrophobicContact CG-CD1 4.37Å; W74-Y270 HydrophobicContact CG-CE1 4Å; E95-Y270 WeakPolarHBondContact OE1-CE2 3.5Å; E95-Y270 PolarHBondContact OE1-OH 3.32Å; E95-Y270 PolarHBondContact OE2-OH 3.2Å; P267-Y270 HydrophobicContact CB-CE2 3.91Å; P268-Y270 HydrophobicContact CG-CD1 4.29Å; P268-Y270 HydrophobicContact CG-CE1 3.7Å; P268-Y270 HydrophobicContact CG-CE2 4.49Å; P268-Y270 PolarHBondContact O-N 3.3Å; Y270-T279 HydrophobicContact CD1-CG2 4.17Å; Y270-G281 WeakPolarHBondContact O-CA 2.97Å
271	C	95.1	Very high	90.6	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.074	30%	0.302	C	S	.	.	S	Bend	trans	-74.7	-43.8	-176.9	-66.7	0	0	0	0	112.7	D269 G281 T282 C302 R304	D269-C271 WeakPolarHBondContact OD1-CB 3.4Å; D269-C271 PolarHBondContact OD1-N 2.78Å; D269-C271 PolarHBondContact OD1-SG 3.38Å; D269-C271 VanDerWaalsContact OD1-SG 3.36Å; C271-G281 WeakPolarHBondContact O-CA 3.31Å; C271-T282 PolarHBondContact O-N 2.88Å; C271-T282 PolarHBondContact O-OG1 2.86Å; C271-C302 HydrophobicContact CB-CB 3.63Å; C271-C302 WeakPolarHBondContact CB-SG 3.45Å; C271-C302 WeakPolarHBondContact SG-CB 3.45Å; C271-C302 CovalentContact SG-SG 2.02Å; C271-C302 PolarHBondContact SG-SG 3.49Å; C271-R304 PolarHBondContact O-NH1 2.96Å
272	S	93.8	Very high	90.6	Very high	60 Å²	60	56.2 Å²	56.2	42%	0.42	30%	0.302	S	S	.	.	S	Bend	trans	-103.3	142.3	-175.3	-48.9	0	0	0	0	110.1	D269 D274 T279	D269-S272 PolarHBondContact OD2-OG 3.32Å; S272-D274 PolarHBondContact O-N 2.98Å; S272-T279 WeakPolarHBondContact O-CG2 3.46Å
273	Y	90.9	Very high	90.6	Very high	159 Å²	159	63 Å²	63	62%	0.624	33%	0.334	S	S	*	.			trans	-60.1	131.9	173.1	175.4	-92.5	0	0	0	110.2	E275 T279	Y273-E275 HydrophobicContact CE1-CB 4.11Å; Y273-T279 WeakPolarHBondContact CA-O 3.36Å; Y273-T279 WeakPolarHBondContact CD2-O 3.34Å
274	D	89	Confident	90.6	Very high	58 Å²	58	63.4 Å²	63.4	31%	0.31	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-146.1	110.2	173.8	174.4	19.5	0	0	0	110	S272 K276 T277 G278 T279	S272-D274 PolarHBondContact O-N 2.98Å; D274-K276 VanDerWaalsContact C-N 3.28Å; D274-K276 PolarHBondContact O-N 3.3Å; D274-K276 WeakPolarHBondContact OD1-CB 3.21Å; D274-K276 PolarHBondContact OD1-N 3.34Å; D274-T277 WeakPolarHBondContact CB-OG1 3.39Å; D274-T277 VanDerWaalsContact CG-OG1 3.23Å; D274-T277 PolarHBondContact O-N 2.81Å; D274-T277 PolarHBondContact O-OG1 2.86Å; D274-T277 WeakPolarHBondContact OD2-CB 3.1Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.4Å; D274-T277 PolarHBondContact OD2-OG1 2.97Å; D274-G278 PolarHBondContact O-N 3.13Å; D274-T279 PolarHBondContact N-O 2.91Å; D274-T279 PolarHBondContact O-N 3.16Å
275	E	85.4	Confident	90.7	Very high	157 Å²	157	64 Å²	64	73%	0.734	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.3	180	-169.7	-179.9	-178.4	0	0	112.4	Y273 T277 G278	Y273-E275 HydrophobicContact CE1-CB 4.11Å; E275-T277 PolarHBondContact O-N 2.98Å; E275-G278 PolarHBondContact O-N 2.87Å
276	K	83.4	Confident	90.8	Very high	189 Å²	189	67.2 Å²	67.2	82%	0.822	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.9	-175.5	-67	-179.1	-179.7	175.9	0	112.2	D274	D274-K276 VanDerWaalsContact C-N 3.28Å; D274-K276 PolarHBondContact O-N 3.3Å; D274-K276 WeakPolarHBondContact OD1-CB 3.21Å; D274-K276 PolarHBondContact OD1-N 3.34Å
277	T	81.1	Confident	90.9	Very high	42 Å²	42	63.8 Å²	63.8	26%	0.258	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.7	176.5	54.6	0	0	0	0	112.3	L91 P268 D274 E275 T279	L91-T277 HydrophobicContact CD1-CG2 4.3Å; P268-T277 HydrophobicContact CB-CG2 3.92Å; D274-T277 WeakPolarHBondContact CB-OG1 3.39Å; D274-T277 VanDerWaalsContact CG-OG1 3.23Å; D274-T277 PolarHBondContact O-N 2.81Å; D274-T277 PolarHBondContact O-OG1 2.86Å; D274-T277 WeakPolarHBondContact OD2-CB 3.1Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.4Å; D274-T277 PolarHBondContact OD2-OG1 2.97Å; E275-T277 PolarHBondContact O-N 2.98Å; T277-T279 VanDerWaalsContact C-N 3.32Å; T277-T279 PolarHBondContact OG1-OG1 3.37Å
278	G	79.9	Confident	91.1	Very high	40 Å²	40	64.5 Å²	64.5	41%	0.412	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	21.6	-175.7	0	0	0	0	0	112.8	N78 D274 E275	N78-G278 PolarHBondContact ND2-O 3Å; D274-G278 PolarHBondContact O-N 3.13Å; E275-G278 PolarHBondContact O-N 2.87Å
279	T	86	Confident	91.2	Very high	5 Å²	5	70 Å²	70	3%	0.031	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-78.5	124.6	177.3	-71.2	0	0	0	0	110	D269 Y270 S272 Y273 D274 T277	D269-T279 WeakPolarHBondContact O-CG2 3.42Å; D269-T279 PolarHBondContact O-OG1 2.63Å; Y270-T279 HydrophobicContact CD1-CG2 4.17Å; S272-T279 WeakPolarHBondContact O-CG2 3.46Å; Y273-T279 WeakPolarHBondContact CA-O 3.36Å; Y273-T279 WeakPolarHBondContact CD2-O 3.34Å; D274-T279 PolarHBondContact N-O 2.91Å; D274-T279 PolarHBondContact O-N 3.16Å; T277-T279 VanDerWaalsContact C-N 3.32Å; T277-T279 PolarHBondContact OG1-OG1 3.37Å
280	A	88.8	Confident	91.2	Very high	53 Å²	53	72.4 Å²	72.4	44%	0.438	38%	0.379	S	S	.	.			trans	-77.2	-19.1	176.9	0	0	0	0	0	114.2
281	G	92.6	Very high	91	Very high	12 Å²	12	71.7 Å²	71.7	12%	0.124	38%	0.38	C	S	.	.			trans	80.1	177.2	-170.8	0	0	0	0	0	112.9	Y270 C271	Y270-G281 WeakPolarHBondContact O-CA 2.97Å; C271-G281 WeakPolarHBondContact O-CA 3.31Å
282	T	95.5	Very high	90.7	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.42	C	S	.	.	S	Bend	trans	-109.4	-0.6	-179	56	0	0	0	0	114.6	R73 C271 R285 L300 R304 C341	R73-T282 HydrophobicContact CB-CG2 4.01Å; R73-T282 HydrophobicContact CG-CG2 4.09Å; C271-T282 PolarHBondContact O-N 2.88Å; C271-T282 PolarHBondContact O-OG1 2.86Å; T282-R285 WeakPolarHBondContact O-CB 3.5Å; T282-R285 WeakPolarHBondContact O-CG 3.46Å; T282-R285 PolarHBondContact O-N 3.5Å; T282-L300 VanDerWaalsContact CB-O 3.27Å; T282-L300 WeakPolarHBondContact CB-O 3.27Å; T282-L300 VanDerWaalsContact CG2-O 3.31Å; T282-L300 WeakPolarHBondContact CG2-O 3.47Å; T282-L300 PolarHBondContact OG1-O 3.19Å; T282-R304 PolarHBondContact OG1-NH2 2.79Å; T282-C341 WeakPolarHBondContact O-CB 3.43Å
283	E	95.2	Very high	90.6	Very high	147 Å²	147	78.7 Å²	78.7	69%	0.687	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	139.3	178.1	-177	174.2	171.4	0	0	111.2	R285	E283-R285 PolarHBondContact O-N 2.86Å; E283-R285 VanDerWaalsContact O-N 3.16Å
284	G	94.7	Very high	90.6	Very high	50 Å²	50	75.5 Å²	75.5	52%	0.515	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-3.6	179.8	0	0	0	0	0	115.6	C341	G284-C341 PolarHBondContact N-O 2.02Å
285	R	95	Very high	90.8	Very high	33 Å²	33	75.1 Å²	75.1	13%	0.125	40%	0.401	C	S	.	.			trans	-73.7	134.9	179.9	-67.8	-169.9	62	-172	-5.6	112.4	R70 R72 R73 T282 E283 C287 L300 T340 C341	R70-R285 PolarHBondContact O-NH2 3.05Å; R72-R285 PolarHBondContact O-NH1 3.34Å; R72-R285 PolarHBondContact O-NH2 2.92Å; R73-R285 VanDerWaalsContact C-NH1 3.3Å; R73-R285 PolarHBondContact O-NH1 3.22Å; T282-R285 WeakPolarHBondContact O-CB 3.5Å; T282-R285 WeakPolarHBondContact O-CG 3.46Å; T282-R285 PolarHBondContact O-N 3.5Å; E283-R285 PolarHBondContact O-N 2.86Å; E283-R285 VanDerWaalsContact O-N 3.16Å; R285-C287 PolarHBondContact O-N 3.18Å; R285-L300 HydrophobicContact CB-CD2 4.34Å; R285-T340 CarbonylContact O-C 3.6Å; R285-T340 VanDerWaalsContact O-CA 3.23Å; R285-T340 WeakPolarHBondContact O-CA 3.29Å; R285-C341 PolarHBondContact O-N 3.49Å
286	E	95.3	Very high	91.3	Very high	99 Å²	99	68.1 Å²	68.1	46%	0.463	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.5	172.1	-67.3	-172	-162	0	0	110.5	L300 R311 V338 H339 T340	E286-L300 WeakPolarHBondContact O-CD2 3.44Å; E286-R311 IonicContact OE1-CZ 3.07Å; E286-R311 IonicContact OE1-NH1 2.97Å; E286-R311 PolarHBondContact OE1-NH1 2.89Å; E286-R311 IonicContact OE1-NH2 3.25Å; E286-R311 PolarHBondContact OE1-NH2 2.87Å; E286-R311 IonicContact OE2-CZ 2.89Å; E286-R311 IonicContact OE2-NH1 2.8Å; E286-R311 IonicContact OE2-NH2 3.57Å; E286-R311 PolarHBondContact OE2-NH2 2.92Å; E286-V338 HydrophobicContact CG-CG1 3.78Å; E286-H339 CarbonylContact C-O 3.58Å; E286-H339 VanDerWaalsContact CA-O 3.25Å; E286-H339 WeakPolarHBondContact CA-O 3.08Å; E286-T340 HydrophobicContact CG-CG2 3.95Å
287	C	96	Very high	91.9	Very high	16 Å²	16	59.4 Å²	59.4	11%	0.108	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.7	179.6	65	0	0	0	0	111.1	R285 C297 L300 C301 H339	R285-C287 PolarHBondContact O-N 3.18Å; C287-C297 VanDerWaalsContact C-SG 3.52Å; C287-C297 HydrophobicContact CB-CB 3.83Å; C287-C297 WeakPolarHBondContact CB-SG 3.5Å; C287-C297 WeakPolarHBondContact SG-CA 3.39Å; C287-C297 WeakPolarHBondContact SG-CB 3.42Å; C287-C297 CovalentContact SG-SG 2.04Å; C287-C297 PolarHBondContact SG-SG 2.77Å; C287-L300 HydrophobicContact CB-CB 4.42Å; C287-L300 HydrophobicContact CB-CD2 3.99Å; C287-C301 VanDerWaalsContact SG-SG 3.65Å; C287-H339 PolarHBondContact N-O 3.28Å
288	D	95.5	Very high	92.6	Very high	76 Å²	76	64.9 Å²	64.9	41%	0.406	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-98.7	122.1	174.4	-168	-17	0	0	0	110.3	N290 G291 E295 S296 C297	D288-N290 VanDerWaalsContact C-N 3.28Å; D288-N290 PolarHBondContact O-N 3.04Å; D288-N290 PolarHBondContact OD1-N 3.24Å; D288-G291 PolarHBondContact O-N 2.7Å; D288-G291 PolarHBondContact OD1-N 3.38Å; D288-E295 HydrophobicContact CB-CG 4.09Å; D288-E295 PolarHBondContact N-O 3.09Å; D288-S296 CarbonylContact O-C 3.45Å; D288-S296 VanDerWaalsContact O-CA 3.25Å; D288-S296 WeakPolarHBondContact O-CA 3.4Å; D288-C297 PolarHBondContact O-N 2.88Å
289	R	94.2	Very high	93.3	Very high	146 Å²	146	66.2 Å²	66.2	55%	0.551	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.2	177.5	177.2	176.7	175.4	-165.9	0	112.3	Y306	R289-Y306 WeakPolarHBondContact CD-OH 3.13Å; R289-Y306 PolarHBondContact NE-OH 3.1Å
290	N	93	Very high	93.8	Very high	137 Å²	137	66 Å²	66	73%	0.733	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	4.3	-178.3	-60.1	-36.5	0	0	0	112.4	D288	D288-N290 VanDerWaalsContact C-N 3.28Å; D288-N290 PolarHBondContact O-N 3.04Å; D288-N290 PolarHBondContact OD1-N 3.24Å
291	G	91.4	Very high	94.2	Very high	15 Å²	15	63.5 Å²	63.5	16%	0.155	33%	0.33	C	S	.	.			trans	-63.4	146.1	177.4	0	0	0	0	0	111.8	D288 S296	D288-G291 PolarHBondContact O-N 2.7Å; D288-G291 PolarHBondContact OD1-N 3.38Å; G291-S296 WeakPolarHBondContact O-CB 3.17Å
292	Q	88.8	Confident	94.3	Very high	192 Å²	192	64.8 Å²	64.8	90%	0.897	34%	0.336	S	S	*	.	S	Bend	trans	-107.4	-14.3	179.6	-67.1	-176.8	-19.8	0	0	112.4	E295	Q292-E295 PolarHBondContact N-OE1 3.04Å; Q292-E295 VanDerWaalsContact N-OE1 3.12Å
293	G	90.9	Very high	94.3	Very high	27 Å²	27	67.9 Å²	67.9	28%	0.278	37%	0.368	S	S	.	.	S	Bend	trans	-104.8	-156.4	178.4	0	0	0	0	0	113.2	E295 S296 L299	G293-E295 WeakPolarHBondContact CA-OE1 3.41Å; G293-E295 VanDerWaalsContact CA-OE2 3.23Å; G293-E295 WeakPolarHBondContact CA-OE2 3.23Å; G293-E295 PolarHBondContact N-OE1 3.2Å; G293-E295 PolarHBondContact O-N 3.14Å; G293-S296 VanDerWaalsContact O-CB 3.23Å; G293-S296 WeakPolarHBondContact O-CB 3.45Å; G293-S296 PolarHBondContact O-N 2.85Å; G293-S296 PolarHBondContact O-OG 3.01Å; G293-S296 VanDerWaalsContact O-OG 3.11Å; G293-L299 WeakPolarHBondContact O-CD1 3.47Å
294	M	91.4	Very high	94.3	Very high	91 Å²	91	65.2 Å²	65.2	45%	0.448	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	-179.5	-70.3	-72.8	-175.5	0	0	113.4	Y71 R72 S296 L300	Y71-M294 CarbonylContact O-C 3.53Å; Y71-M294 WeakPolarHBondContact O-CB 3.43Å; Y71-M294 VanDerWaalsContact O-O 3.07Å; R72-M294 HydrophobicContact CG-CB 4.47Å; M294-S296 PolarHBondContact O-N 3.49Å; M294-L300 WeakPolarHBondContact O-CB 3.44Å
295	E	93.1	Very high	94.3	Very high	51 Å²	51	64.2 Å²	64.2	24%	0.238	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18	172.4	72.1	-72.2	170.2	0	0	113.4	Y71 D288 Q292 G293	Y71-E295 HydrophobicContact CD1-CB 3.87Å; Y71-E295 HydrophobicContact CD2-CB 4.33Å; Y71-E295 HydrophobicContact CG-CB 3.73Å; D288-E295 HydrophobicContact CB-CG 4.09Å; D288-E295 PolarHBondContact N-O 3.09Å; Q292-E295 PolarHBondContact N-OE1 3.04Å; Q292-E295 VanDerWaalsContact N-OE1 3.12Å; G293-E295 WeakPolarHBondContact CA-OE1 3.41Å; G293-E295 VanDerWaalsContact CA-OE2 3.23Å; G293-E295 WeakPolarHBondContact CA-OE2 3.23Å; G293-E295 PolarHBondContact N-OE1 3.2Å; G293-E295 PolarHBondContact O-N 3.14Å
296	S	96.4	Very high	94.4	Very high	10 Å²	10	66.2 Å²	66.2	7%	0.07	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-62.1	140.1	-177.1	79.7	0	0	0	0	111	D288 G291 G293 M294 E298 L299 L300	D288-S296 CarbonylContact O-C 3.45Å; D288-S296 VanDerWaalsContact O-CA 3.25Å; D288-S296 WeakPolarHBondContact O-CA 3.4Å; G291-S296 WeakPolarHBondContact O-CB 3.17Å; G293-S296 VanDerWaalsContact O-CB 3.23Å; G293-S296 WeakPolarHBondContact O-CB 3.45Å; G293-S296 PolarHBondContact O-N 2.85Å; G293-S296 PolarHBondContact O-OG 3.01Å; G293-S296 VanDerWaalsContact O-OG 3.11Å; M294-S296 PolarHBondContact O-N 3.49Å; S296-E298 PolarHBondContact O-N 3.18Å; S296-L299 PolarHBondContact O-N 3.24Å; S296-L299 VanDerWaalsContact O-N 3.15Å; S296-L299 WeakPolarHBondContact OG-CB 3.48Å; S296-L299 WeakPolarHBondContact OG-CG 3.32Å; S296-L299 PolarHBondContact OG-N 3.15Å; S296-L300 WeakPolarHBondContact O-CB 3.48Å; S296-L300 PolarHBondContact O-N 3.31Å
297	C	96.2	Very high	94.5	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.034	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-29.9	177.7	-66.6	0	0	0	0	112.8	C287 D288 C301 Y306	C287-C297 VanDerWaalsContact C-SG 3.52Å; C287-C297 HydrophobicContact CB-CB 3.83Å; C287-C297 WeakPolarHBondContact CB-SG 3.5Å; C287-C297 WeakPolarHBondContact SG-CA 3.39Å; C287-C297 WeakPolarHBondContact SG-CB 3.42Å; C287-C297 CovalentContact SG-SG 2.04Å; C287-C297 PolarHBondContact SG-SG 2.77Å; D288-C297 PolarHBondContact O-N 2.88Å; C297-C301 WeakPolarHBondContact O-CB 3.19Å; C297-C301 PolarHBondContact O-N 3.08Å; C297-C301 PolarHBondContact O-SG 3.45Å; C297-Y306 HydrophobicContact CB-CD1 3.41Å; C297-Y306 VanDerWaalsContact CB-CD1 3.41Å; C297-Y306 HydrophobicContact CB-CE1 3.75Å; C297-Y306 HydrophobicContact CB-CG 3.98Å
298	E	94.7	Very high	94.5	Very high	157 Å²	157	68 Å²	68	73%	0.734	36%	0.364	S	S	*	.	H	α-helix	trans	-64.6	-47	176.2	-173.1	176.3	177.7	0	0	111.8	S296 G303	S296-E298 PolarHBondContact O-N 3.18Å; E298-G303 PolarHBondContact O-N 2.79Å
299	L	95.1	Very high	94.5	Very high	69 Å²	69	68.6 Å²	68.6	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-82	-42.6	-175.9	-67.2	178.6	0	0	0	112.9	R73 G293 S296 C302	R73-L299 PolarHBondContact NE-O 3.11Å; R73-L299 PolarHBondContact NH2-O 3.39Å; G293-L299 WeakPolarHBondContact O-CD1 3.47Å; S296-L299 PolarHBondContact O-N 3.24Å; S296-L299 VanDerWaalsContact O-N 3.15Å; S296-L299 WeakPolarHBondContact OG-CB 3.48Å; S296-L299 WeakPolarHBondContact OG-CG 3.32Å; S296-L299 PolarHBondContact OG-N 3.15Å; L299-C302 PolarHBondContact O-N 2.95Å
300	L	96.3	Very high	94.5	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-69.1	-42	-178.1	-168.9	58.9	0	0	0	111.6	R73 T282 R285 E286 C287 M294 S296 C302	R73-L300 HydrophobicContact CG-CD1 4.33Å; T282-L300 VanDerWaalsContact CB-O 3.27Å; T282-L300 WeakPolarHBondContact CB-O 3.27Å; T282-L300 VanDerWaalsContact CG2-O 3.31Å; T282-L300 WeakPolarHBondContact CG2-O 3.47Å; T282-L300 PolarHBondContact OG1-O 3.19Å; R285-L300 HydrophobicContact CB-CD2 4.34Å; E286-L300 WeakPolarHBondContact O-CD2 3.44Å; C287-L300 HydrophobicContact CB-CB 4.42Å; C287-L300 HydrophobicContact CB-CD2 3.99Å; M294-L300 WeakPolarHBondContact O-CB 3.44Å; S296-L300 WeakPolarHBondContact O-CB 3.48Å; S296-L300 PolarHBondContact O-N 3.31Å; L300-C302 PolarHBondContact O-N 3.39Å
301	C	96.5	Very high	94.6	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.2	-177.7	-46.1	0	0	0	0	113.2	C287 C297 G303 R304 G305 C341	C287-C301 VanDerWaalsContact SG-SG 3.65Å; C297-C301 WeakPolarHBondContact O-CB 3.19Å; C297-C301 PolarHBondContact O-N 3.08Å; C297-C301 PolarHBondContact O-SG 3.45Å; C301-G303 PolarHBondContact O-N 3.43Å; C301-G303 VanDerWaalsContact O-N 3.14Å; C301-R304 WeakPolarHBondContact O-CB 3.41Å; C301-R304 PolarHBondContact O-N 3.29Å; C301-G305 WeakPolarHBondContact CB-O 3.27Å; C301-C341 WeakPolarHBondContact CA-SG 3.38Å; C301-C341 HydrophobicContact CB-CB 3.53Å; C301-C341 WeakPolarHBondContact CB-SG 3.33Å; C301-C341 PolarHBondContact N-SG 3.03Å; C301-C341 WeakPolarHBondContact SG-CA 3.21Å; C301-C341 WeakPolarHBondContact SG-CB 3.42Å; C301-C341 CovalentContact SG-SG 2.04Å; C301-C341 PolarHBondContact SG-SG 3.39Å
302	C	95.8	Very high	94.8	Very high	38 Å²	38	69.8 Å²	69.8	26%	0.257	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	37.7	173.9	-50.7	0	0	0	0	113.5	R73 C271 L299 L300 R304	R73-C302 PolarHBondContact NE-SG 3.22Å; C271-C302 HydrophobicContact CB-CB 3.63Å; C271-C302 WeakPolarHBondContact CB-SG 3.45Å; C271-C302 WeakPolarHBondContact SG-CB 3.45Å; C271-C302 CovalentContact SG-SG 2.02Å; C271-C302 PolarHBondContact SG-SG 3.49Å; L299-C302 PolarHBondContact O-N 2.95Å; L300-C302 PolarHBondContact O-N 3.39Å; C302-R304 PolarHBondContact O-N 2.7Å
303	G	94.4	Very high	95.1	Very high	65 Å²	65	65.3 Å²	65.3	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	0.6	-180	0	0	0	0	0	116.3	E298 C301 G305	E298-G303 PolarHBondContact O-N 2.79Å; C301-G303 PolarHBondContact O-N 3.43Å; C301-G303 VanDerWaalsContact O-N 3.14Å; G303-G305 PolarHBondContact O-N 2.83Å
304	R	95.1	Very high	95.3	Very high	92 Å²	92	69.1 Å²	69.1	35%	0.347	36%	0.356	S	S	.	.	S	Bend	trans	-70.7	-11.5	177.8	-60.1	-165.3	-57.7	-117	-5.7	113.9	C271 T282 C301 C302 K342	C271-R304 PolarHBondContact O-NH1 2.96Å; T282-R304 PolarHBondContact OG1-NH2 2.79Å; C301-R304 WeakPolarHBondContact O-CB 3.41Å; C301-R304 PolarHBondContact O-N 3.29Å; C302-R304 PolarHBondContact O-N 2.7Å; R304-K342 VanDerWaalsContact CZ-O 3.29Å; R304-K342 PolarHBondContact NE-O 2.9Å; R304-K342 PolarHBondContact NH2-O 2.8Å
305	G	95.1	Very high	95.5	Very high	28 Å²	28	68.5 Å²	68.5	29%	0.289	35%	0.352	S	S	.	.			trans	85	-177.4	-171.1	0	0	0	0	0	112.7	C301 G303 K342	C301-G305 WeakPolarHBondContact CB-O 3.27Å; G303-G305 PolarHBondContact O-N 2.83Å; G305-K342 PolarHBondContact O-N 2.89Å; G305-K342 VanDerWaalsContact O-N 3.13Å
306	Y	97	Very high	95.6	Very high	75 Å²	75	73 Å²	73	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.5	-176.8	53.2	-87.4	0	0	0	110.8	R289 C297 H339 T340 K342	R289-Y306 WeakPolarHBondContact CD-OH 3.13Å; R289-Y306 PolarHBondContact NE-OH 3.1Å; C297-Y306 HydrophobicContact CB-CD1 3.41Å; C297-Y306 VanDerWaalsContact CB-CD1 3.41Å; C297-Y306 HydrophobicContact CB-CE1 3.75Å; C297-Y306 HydrophobicContact CB-CG 3.98Å; Y306-H339 HydrophobicContact CD2-CB 3.85Å; Y306-H339 AromaticContact CD2-ND1 3.81Å; Y306-H339 HydrophobicContact CE2-CB 4.44Å; Y306-H339 AromaticContact CE2-ND1 3.73Å; Y306-H339 HydrophobicContact CG-CB 4.41Å; Y306-T340 CarbonylContact C-O 3.47Å; Y306-T340 VanDerWaalsContact CA-O 3.23Å; Y306-T340 WeakPolarHBondContact CA-O 3.31Å; Y306-T340 WeakPolarHBondContact CB-O 3.24Å; Y306-K342 WeakPolarHBondContact O-CE 3.47Å
307	N	97	Very high	95.6	Very high	82 Å²	82	73.6 Å²	73.6	44%	0.439	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	146.4	167.7	-64.2	-40.1	0	0	0	108.9	H339 T340 K342	N307-H339 CarbonylContact O-C 3.57Å; N307-H339 VanDerWaalsContact O-CA 3.26Å; N307-H339 WeakPolarHBondContact O-CA 3.39Å; N307-T340 PolarHBondContact N-O 3.21Å; N307-T340 PolarHBondContact O-N 2.79Å; N307-K342 WeakPolarHBondContact OD1-CE 3.47Å
308	T	96.7	Very high	95.5	Very high	71 Å²	71	78.7 Å²	78.7	44%	0.436	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	175.8	-59.5	0	0	0	0	108.9	E337 V338 H339	T308-E337 HydrophobicContact CG2-CB 4.4Å; T308-V338 WeakPolarHBondContact CA-O 3.37Å; T308-H339 PolarHBondContact OG1-ND1 3.4Å
309	F	95	Very high	95.6	Very high	88 Å²	88	74.5 Å²	74.5	39%	0.386	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.4	174.1	59.2	-88.2	0	0	0	110.9	R311 V338 T340	F309-R311 HydrophobicContact CE2-CB 4.32Å; F309-V338 HydrophobicContact CD2-CB 4.28Å; F309-V338 HydrophobicContact CE1-CB 4.29Å; F309-V338 HydrophobicContact CE1-CG1 4.15Å; F309-V338 HydrophobicContact CE2-CB 3.79Å; F309-V338 HydrophobicContact CE2-CG1 4.07Å; F309-V338 HydrophobicContact CE2-CG2 4.3Å; F309-V338 HydrophobicContact CZ-CB 3.79Å; F309-V338 HydrophobicContact CZ-CG1 3.61Å; F309-V338 PolarHBondContact N-O 3.37Å; F309-V338 PolarHBondContact O-N 2.96Å; F309-T340 HydrophobicContact CE1-CG2 3.62Å; F309-T340 HydrophobicContact CZ-CG2 4.03Å
310	K	95.2	Very high	95.6	Very high	152 Å²	152	78.4 Å²	78.4	66%	0.661	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.7	176.8	-66.5	-176.2	179.3	-178.6	0	109.2	I336 E337	K310-I336 WeakPolarHBondContact CA-O 3.42Å; K310-E337 HydrophobicContact CG-CG 4.4Å
311	R	95	Very high	95.6	Very high	98 Å²	98	84.4 Å²	84.4	37%	0.37	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.2	174.2	-177.2	168.3	63.9	-164.3	-8	109.5	E286 F309 K313 I336 V338	E286-R311 IonicContact OE1-CZ 3.07Å; E286-R311 IonicContact OE1-NH1 2.97Å; E286-R311 PolarHBondContact OE1-NH1 2.89Å; E286-R311 IonicContact OE1-NH2 3.25Å; E286-R311 PolarHBondContact OE1-NH2 2.87Å; E286-R311 IonicContact OE2-CZ 2.89Å; E286-R311 IonicContact OE2-NH1 2.8Å; E286-R311 IonicContact OE2-NH2 3.57Å; E286-R311 PolarHBondContact OE2-NH2 2.92Å; F309-R311 HydrophobicContact CE2-CB 4.32Å; R311-K313 PolarHBondContact O-N 3.24Å; R311-I336 HydrophobicContact CB-CG1 4.22Å; R311-I336 PolarHBondContact N-O 2.98Å; R311-I336 WeakPolarHBondContact O-CG1 3.38Å; R311-I336 PolarHBondContact O-N 3.36Å; R311-V338 HydrophobicContact CB-CG2 3.72Å
312	V	95.8	Very high	95.5	Very high	74 Å²	74	87.1 Å²	87.1	45%	0.448	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.9	170.6	-179.3	0	0	0	0	108	L314 Q333 K335	V312-L314 HydrophobicContact CG1-CD2 4.27Å; V312-Q333 HydrophobicContact CG1-CB 3.93Å; V312-Q333 HydrophobicContact CG1-CG 4.41Å; V312-K335 HydrophobicContact CG2-CG 4.43Å
313	K	93.9	Very high	95.4	Very high	97 Å²	97	96.4 Å²	96.4	42%	0.422	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.5	172.8	-173.9	-175.8	175.8	-156.4	0	108.6	R311 E315 S334 I336	R311-K313 PolarHBondContact O-N 3.24Å; K313-E315 IonicContact NZ-OE2 3.9Å; K313-E315 PolarHBondContact NZ-OE2 3.17Å; K313-S334 PolarHBondContact N-O 3.3Å; K313-S334 PolarHBondContact O-N 2.68Å; K313-I336 HydrophobicContact CB-CD1 4.17Å; K313-I336 HydrophobicContact CB-CG1 4.23Å; K313-I336 HydrophobicContact CB-CG2 4.35Å; K313-I336 HydrophobicContact CD-CD1 4.3Å
314	L	95.8	Very high	95	Very high	108 Å²	108	97.5 Å²	97.5	57%	0.565	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.5	171.5	-58.9	-179.1	0	0	0	108.4	V312 T331 C332 Q333	V312-L314 HydrophobicContact CG1-CD2 4.27Å; L314-T331 HydrophobicContact CB-CG2 4.23Å; L314-T331 HydrophobicContact CD2-CG2 4.44Å; L314-C332 WeakPolarHBondContact CA-O 3.46Å; L314-Q333 HydrophobicContact CD2-CB 4.2Å; L314-Q333 HydrophobicContact CD2-CG 3.51Å
315	E	94.7	Very high	94.5	Very high	78 Å²	78	98 Å²	98	36%	0.364	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.1	176.9	69.4	-161.9	158.3	0	0	112	K313 C332 S334	K313-E315 IonicContact NZ-OE2 3.9Å; K313-E315 PolarHBondContact NZ-OE2 3.17Å; E315-C332 PolarHBondContact N-O 3.21Å; E315-C332 PolarHBondContact O-N 2.82Å; E315-S334 PolarHBondContact OE1-OG 3.05Å
316	K	95.8	Very high	94.5	Very high	144 Å²	144	104.8 Å²	104.8	63%	0.626	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.2	174.3	-63.7	-57.2	-175.8	-177.7	0	108.5	C329 K330 T331	K316-C329 HydrophobicContact CB-CB 3.98Å; K316-C329 HydrophobicContact CD-CB 4.19Å; K316-C329 HydrophobicContact CG-CB 4.49Å; K316-K330 WeakPolarHBondContact CA-O 2.99Å; K316-T331 PolarHBondContact NZ-OG1 2.77Å; K316-T331 VanDerWaalsContact NZ-OG1 3.09Å
317	C	95.5	Very high	94.4	Very high	23 Å²	23	105.7 Å²	105.7	16%	0.155	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	168.7	-175.7	65.1	0	0	0	0	109.8	C319 K330 C332	C317-C319 PolarHBondContact O-N 3.32Å; C317-K330 PolarHBondContact N-O 3.1Å; C317-K330 PolarHBondContact O-N 2.87Å; C317-C332 HydrophobicContact CB-CB 3.58Å; C317-C332 WeakPolarHBondContact CB-SG 3.19Å; C317-C332 VanDerWaalsContact SG-CA 3.59Å; C317-C332 WeakPolarHBondContact SG-CB 3.24Å; C317-C332 PolarHBondContact SG-N 2.98Å; C317-C332 CovalentContact SG-SG 1.99Å; C317-C332 PolarHBondContact SG-SG 3.49Å
318	E	95.5	Very high	94.4	Very high	112 Å²	112	103.8 Å²	103.8	52%	0.523	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.4	39	177.4	-63.2	-179.1	-140.8	0	0	112.7	K320 K330	E318-K320 PolarHBondContact O-N 2.96Å; E318-K330 HydrophobicContact CB-CD 4.42Å; E318-K330 IonicContact OE1-NZ 3.99Å; E318-K330 WeakPolarHBondContact OE2-CD 3.2Å; E318-K330 WeakPolarHBondContact OE2-CE 3.19Å; E318-K330 IonicContact OE2-NZ 2.73Å; E318-K330 PolarHBondContact OE2-NZ 3.25Å
319	C	96.7	Very high	94.4	Very high	70 Å²	70	102.6 Å²	102.6	47%	0.473	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	119.9	-178.7	-66.4	0	0	0	0	110.2	C317 V327 C329	C317-C319 PolarHBondContact O-N 3.32Å; C319-V327 HydrophobicContact CB-CG1 3.84Å; C319-C329 VanDerWaalsContact CA-SG 3.58Å; C319-C329 HydrophobicContact CB-CB 4.06Å; C319-C329 WeakPolarHBondContact CB-SG 3.36Å; C319-C329 WeakPolarHBondContact SG-CB 3.32Å; C319-C329 CovalentContact SG-SG 2.03Å; C319-C329 PolarHBondContact SG-SG 3.3Å
320	K	95.8	Very high	94.5	Very high	151 Å²	151	104.4 Å²	104.4	66%	0.657	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	134	174.3	-65.4	-176.1	-178.7	-176.8	0	109.6	E318 V322 A328	E318-K320 PolarHBondContact O-N 2.96Å; K320-V322 PolarHBondContact O-N 3.09Å; K320-A328 PolarHBondContact N-O 2.79Å; K320-A328 PolarHBondContact O-N 2.85Å
321	F	96.3	Very high	94.6	Very high	127 Å²	127	101.1 Å²	101.1	56%	0.557	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.8	167.6	-174.5	-102.2	0	0	0	108.7	W323 V327	F321-W323 AromaticContact CE1-CE3 3.98Å; F321-W323 HydrophobicContact CE1-CE3 3.98Å; F321-V327 HydrophobicContact CD2-CG2 4.15Å
322	V	94	Very high	94.7	Very high	57 Å²	57	98.2 Å²	98.2	35%	0.345	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.2	171.6	-179.9	0	0	0	0	106.4	K320 C324 R326 A328	K320-V322 PolarHBondContact O-N 3.09Å; V322-C324 PolarHBondContact O-N 2.95Å; V322-C324 VanDerWaalsContact O-N 3.1Å; V322-R326 HydrophobicContact CB-CG 3.98Å; V322-R326 HydrophobicContact CG2-CG 4.37Å; V322-R326 PolarHBondContact N-O 3.46Å; V322-A328 HydrophobicContact CG2-CB 3.85Å
323	W	92.2	Very high	94.7	Very high	232 Å²	232	101.7 Å²	101.7	88%	0.879	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	121.9	-178.3	-178.7	-108.1	0	0	0	110.4	F321	F321-W323 AromaticContact CE1-CE3 3.98Å; F321-W323 HydrophobicContact CE1-CE3 3.98Å
324	C	86	Confident	94.7	Very high	89 Å²	89	98.6 Å²	98.6	60%	0.601	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.9	113.8	-160.5	-163.5	0	0	0	0	118.5	V322	V322-C324 PolarHBondContact O-N 2.95Å; V322-C324 VanDerWaalsContact O-N 3.1Å
325	C	86.3	Confident	94.6	Very high	102 Å²	102	101.7 Å²	101.7	69%	0.689	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	cis	-148.1	50.1	-5.4	-76.1	0	0	0	0	109.1
326	R	94.5	Very high	94.6	Very high	171 Å²	171	100.6 Å²	100.6	65%	0.645	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	-176.9	67.7	178.6	-176.8	156.3	-0.2	111.7	V322	V322-R326 HydrophobicContact CB-CG 3.98Å; V322-R326 HydrophobicContact CG2-CG 4.37Å; V322-R326 PolarHBondContact N-O 3.46Å
327	V	95.6	Very high	94.5	Very high	94 Å²	94	98.9 Å²	98.9	57%	0.57	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	121.7	165.9	-178.6	0	0	0	0	107.5	C319 F321	C319-V327 HydrophobicContact CB-CG1 3.84Å; F321-V327 HydrophobicContact CD2-CG2 4.15Å
328	A	95.9	Very high	94.6	Very high	42 Å²	42	98.1 Å²	98.1	35%	0.347	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.4	173.1	0	0	0	0	0	108.8	K320 V322	K320-A328 PolarHBondContact N-O 2.79Å; K320-A328 PolarHBondContact O-N 2.85Å; V322-A328 HydrophobicContact CG2-CB 3.85Å
329	C	97.3	Very high	94.6	Very high	46 Å²	46	93.7 Å²	93.7	31%	0.311	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149	176.5	-52.5	0	0	0	0	110.1	K316 C319	K316-C329 HydrophobicContact CB-CB 3.98Å; K316-C329 HydrophobicContact CD-CB 4.19Å; K316-C329 HydrophobicContact CG-CB 4.49Å; C319-C329 VanDerWaalsContact CA-SG 3.58Å; C319-C329 HydrophobicContact CB-CB 4.06Å; C319-C329 WeakPolarHBondContact CB-SG 3.36Å; C319-C329 WeakPolarHBondContact SG-CB 3.32Å; C319-C329 CovalentContact SG-SG 2.03Å; C319-C329 PolarHBondContact SG-SG 3.3Å
330	K	96.9	Very high	94.7	Very high	126 Å²	126	91.2 Å²	91.2	55%	0.548	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	161.1	163.9	-65.3	-180	-174.3	165.4	0	109.6	K316 C317 E318	K316-K330 WeakPolarHBondContact CA-O 2.99Å; C317-K330 PolarHBondContact N-O 3.1Å; C317-K330 PolarHBondContact O-N 2.87Å; E318-K330 HydrophobicContact CB-CD 4.42Å; E318-K330 IonicContact OE1-NZ 3.99Å; E318-K330 WeakPolarHBondContact OE2-CD 3.2Å; E318-K330 WeakPolarHBondContact OE2-CE 3.19Å; E318-K330 IonicContact OE2-NZ 2.73Å; E318-K330 PolarHBondContact OE2-NZ 3.25Å
331	T	96.7	Very high	94.7	Very high	83 Å²	83	84.1 Å²	84.1	51%	0.509	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.4	167	-56.9	0	0	0	0	107.5	L314 K316	L314-T331 HydrophobicContact CB-CG2 4.23Å; L314-T331 HydrophobicContact CD2-CG2 4.44Å; K316-T331 PolarHBondContact NZ-OG1 2.77Å; K316-T331 VanDerWaalsContact NZ-OG1 3.09Å
332	C	96.6	Very high	94.7	Very high	37 Å²	37	83.5 Å²	83.5	25%	0.25	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.1	173.8	-73.2	0	0	0	0	110.2	L314 E315 C317	L314-C332 WeakPolarHBondContact CA-O 3.46Å; E315-C332 PolarHBondContact N-O 3.21Å; E315-C332 PolarHBondContact O-N 2.82Å; C317-C332 HydrophobicContact CB-CB 3.58Å; C317-C332 WeakPolarHBondContact CB-SG 3.19Å; C317-C332 VanDerWaalsContact SG-CA 3.59Å; C317-C332 WeakPolarHBondContact SG-CB 3.24Å; C317-C332 PolarHBondContact SG-N 2.98Å; C317-C332 CovalentContact SG-SG 1.99Å; C317-C332 PolarHBondContact SG-SG 3.49Å
333	Q	95.7	Very high	94.7	Very high	147 Å²	147	84.8 Å²	84.8	69%	0.687	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.5	169.8	-49.5	-160.2	-15.4	0	0	108.3	V312 L314	V312-Q333 HydrophobicContact CG1-CB 3.93Å; V312-Q333 HydrophobicContact CG1-CG 4.41Å; L314-Q333 HydrophobicContact CD2-CB 4.2Å; L314-Q333 HydrophobicContact CD2-CG 3.51Å
334	S	94.2	Very high	94.8	Very high	32 Å²	32	77.1 Å²	77.1	22%	0.224	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.4	169.5	52.4	0	0	0	0	109.2	K313 E315	K313-S334 PolarHBondContact N-O 3.3Å; K313-S334 PolarHBondContact O-N 2.68Å; E315-S334 PolarHBondContact OE1-OG 3.05Å
335	K	94.4	Very high	95.3	Very high	172 Å²	172	76.4 Å²	76.4	75%	0.748	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.6	173.4	-70.1	-178	-178	178	0	107.6	V312	V312-K335 HydrophobicContact CG2-CG 4.43Å
336	I	94.3	Very high	95.9	Very high	55 Å²	55	74.9 Å²	74.9	28%	0.282	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.8	175.7	61.6	166.8	0	0	0	109.9	K310 R311 K313 V338	K310-I336 WeakPolarHBondContact CA-O 3.42Å; R311-I336 HydrophobicContact CB-CG1 4.22Å; R311-I336 PolarHBondContact N-O 2.98Å; R311-I336 WeakPolarHBondContact O-CG1 3.38Å; R311-I336 PolarHBondContact O-N 3.36Å; K313-I336 HydrophobicContact CB-CD1 4.17Å; K313-I336 HydrophobicContact CB-CG1 4.23Å; K313-I336 HydrophobicContact CB-CG2 4.35Å; K313-I336 HydrophobicContact CD-CD1 4.3Å; I336-V338 HydrophobicContact CD1-CG2 3.95Å; I336-V338 HydrophobicContact CG1-CG2 4.07Å
337	E	94.9	Very high	95.9	Very high	108 Å²	108	68.9 Å²	68.9	51%	0.505	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.9	167.1	-64.5	-167.1	164.2	0	0	108.8	T308 K310	T308-E337 HydrophobicContact CG2-CB 4.4Å; K310-E337 HydrophobicContact CG-CG 4.4Å
338	V	96.1	Very high	96	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132	177.4	-177.8	0	0	0	0	107.4	E286 T308 F309 R311 I336 T340	E286-V338 HydrophobicContact CG-CG1 3.78Å; T308-V338 WeakPolarHBondContact CA-O 3.37Å; F309-V338 HydrophobicContact CD2-CB 4.28Å; F309-V338 HydrophobicContact CE1-CB 4.29Å; F309-V338 HydrophobicContact CE1-CG1 4.15Å; F309-V338 HydrophobicContact CE2-CB 3.79Å; F309-V338 HydrophobicContact CE2-CG1 4.07Å; F309-V338 HydrophobicContact CE2-CG2 4.3Å; F309-V338 HydrophobicContact CZ-CB 3.79Å; F309-V338 HydrophobicContact CZ-CG1 3.61Å; F309-V338 PolarHBondContact N-O 3.37Å; F309-V338 PolarHBondContact O-N 2.96Å; R311-V338 HydrophobicContact CB-CG2 3.72Å; I336-V338 HydrophobicContact CD1-CG2 3.95Å; I336-V338 HydrophobicContact CG1-CG2 4.07Å; V338-T340 HydrophobicContact CG1-CG2 4.37Å
339	H	97	Very high	96	Very high	19 Å²	19	69 Å²	69	9%	0.088	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.9	177.6	-51.1	-66	0	0	0	109	E286 C287 Y306 N307 T308	E286-H339 CarbonylContact C-O 3.58Å; E286-H339 VanDerWaalsContact CA-O 3.25Å; E286-H339 WeakPolarHBondContact CA-O 3.08Å; C287-H339 PolarHBondContact N-O 3.28Å; Y306-H339 HydrophobicContact CD2-CB 3.85Å; Y306-H339 AromaticContact CD2-ND1 3.81Å; Y306-H339 HydrophobicContact CE2-CB 4.44Å; Y306-H339 AromaticContact CE2-ND1 3.73Å; Y306-H339 HydrophobicContact CG-CB 4.41Å; N307-H339 CarbonylContact O-C 3.57Å; N307-H339 VanDerWaalsContact O-CA 3.26Å; N307-H339 WeakPolarHBondContact O-CA 3.39Å; T308-H339 PolarHBondContact OG1-ND1 3.4Å
340	T	97	Very high	95.9	Very high	19 Å²	19	70.8 Å²	70.8	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.3	177.2	54.8	0	0	0	0	110.6	R285 E286 Y306 N307 F309 V338 K342	R285-T340 CarbonylContact O-C 3.6Å; R285-T340 VanDerWaalsContact O-CA 3.23Å; R285-T340 WeakPolarHBondContact O-CA 3.29Å; E286-T340 HydrophobicContact CG-CG2 3.95Å; Y306-T340 CarbonylContact C-O 3.47Å; Y306-T340 VanDerWaalsContact CA-O 3.23Å; Y306-T340 WeakPolarHBondContact CA-O 3.31Å; Y306-T340 WeakPolarHBondContact CB-O 3.24Å; N307-T340 PolarHBondContact N-O 3.21Å; N307-T340 PolarHBondContact O-N 2.79Å; F309-T340 HydrophobicContact CE1-CG2 3.62Å; F309-T340 HydrophobicContact CZ-CG2 4.03Å; V338-T340 HydrophobicContact CG1-CG2 4.37Å; T340-K342 PolarHBondContact O-N 2.84Å
341	C	96.8	Very high	95.8	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.7	177.4	-62.1	0	0	0	0	112.1	T282 G284 R285 C301	T282-C341 WeakPolarHBondContact O-CB 3.43Å; G284-C341 PolarHBondContact N-O 2.02Å; R285-C341 PolarHBondContact O-N 3.49Å; C301-C341 WeakPolarHBondContact CA-SG 3.38Å; C301-C341 HydrophobicContact CB-CB 3.53Å; C301-C341 WeakPolarHBondContact CB-SG 3.33Å; C301-C341 PolarHBondContact N-SG 3.03Å; C301-C341 WeakPolarHBondContact SG-CA 3.21Å; C301-C341 WeakPolarHBondContact SG-CB 3.42Å; C301-C341 CovalentContact SG-SG 2.04Å; C301-C341 PolarHBondContact SG-SG 3.39Å
342	K	95.7	Very high	95.7	Very high	113 Å²	113	64.6 Å²	64.6	49%	0.491	31%	0.313	S	S	.	.			trans	-74.5	0	171.9	-70.7	-178.6	-179.1	-178.1	0	112.4	R304 G305 Y306 N307 T340	R304-K342 VanDerWaalsContact CZ-O 3.29Å; R304-K342 PolarHBondContact NE-O 2.9Å; R304-K342 PolarHBondContact NH2-O 2.8Å; G305-K342 PolarHBondContact O-N 2.89Å; G305-K342 VanDerWaalsContact O-N 3.13Å; Y306-K342 WeakPolarHBondContact O-CE 3.47Å; N307-K342 WeakPolarHBondContact OD1-CE 3.47Å; T340-K342 PolarHBondContact O-N 2.84Å

Retrieved 342 of 342 residues in 329.8 ms (Link to these results)

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