A0A077YZY9_TRITR Loading...

Ribosomal protein L15

AlphaFold DB , UniProt , Accession A0A077YZY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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	51.5	Low	51.7	Low	231 Å²	231	136.4 Å²	136.4	100%	1.138	71%	0.705	S	S	*	*				0	36.1	0	-72.8	167.6	62.9	0	0	113
2	N	54.3	Low	51	Low	137 Å²	137	132.3 Å²	132.3	73%	0.733	70%	0.698	S	S	*	*			trans	-124.2	-6.5	-176	-81.3	7	0	0	0	115.9
3	C	53.1	Low	50.5	Low	107 Å²	107	133.9 Å²	133.9	72%	0.723	71%	0.706	S	S	*	*	S	Bend	trans	-86.7	-18.9	-176.1	-68.1	0	0	0	0	114.6
4	L	52	Low	49.6	Very low	147 Å²	147	130 Å²	130	77%	0.77	70%	0.702	S	S	*	*	H	α-helix	trans	-73.9	-25	-177.8	-91.2	151.2	0	0	0	113.7
5	L	53.2	Low	49	Very low	128 Å²	128	131.2 Å²	131.2	67%	0.67	71%	0.706	S	S	*	*	H	α-helix	trans	-75.5	-27.6	-178.8	-96.3	149.7	0	0	0	113.4
6	I	55.9	Low	48.2	Very low	108 Å²	108	128.3 Å²	128.3	55%	0.554	71%	0.705	S	S	*	*	H	α-helix	trans	-76.6	-33.4	-177.1	-61.2	174.6	0	0	0	111.1	F8 L9 L10	I6-F8 PolarHBondContact O-N 3.48Å; I6-L9 PolarHBondContact O-N 3.4Å; I6-L10 HydrophobicContact CG2-CD1 4.29Å
7	F	51.8	Low	47.3	Very low	158 Å²	158	130.1 Å²	130.1	69%	0.693	71%	0.714	S	S	*	*	H	α-helix	trans	-68.1	-34.6	178.8	-101.1	-84.4	0	0	0	113.1	L9 L10 T11	F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.49Å; F7-L10 PolarHBondContact O-N 3.46Å; F7-T11 PolarHBondContact O-N 3.43Å; F7-T11 PolarHBondContact O-OG1 3.14Å
8	F	51.4	Low	46.4	Very low	154 Å²	154	128.2 Å²	128.2	68%	0.675	71%	0.711	S	S	*	*	H	α-helix	trans	-69.3	-27.7	178.1	-99.8	-82	0	0	0	113.5	I6 T11 S12	I6-F8 PolarHBondContact O-N 3.48Å; F8-T11 PolarHBondContact O-OG1 3.48Å; F8-S12 PolarHBondContact O-OG 3.41Å
9	L	49.7	Very low	45.5	Very low	125 Å²	125	126 Å²	126	65%	0.654	71%	0.706	S	S	*	*	H	α-helix	trans	-77.5	-28.9	179.1	-84.8	155.9	0	0	0	113	I6 F7	I6-L9 PolarHBondContact O-N 3.4Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.49Å
10	L	48.5	Very low	44.7	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	72%	0.716	S	S	*	*	H	α-helix	trans	-83.3	-27	-177.8	-78.2	161.4	0	0	0	113.5	I6 F7 S12	I6-L10 HydrophobicContact CG2-CD1 4.29Å; F7-L10 PolarHBondContact O-N 3.46Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.36Å
11	T	47.1	Very low	43.7	Very low	81 Å²	81	132.4 Å²	132.4	50%	0.497	72%	0.719	S	S	.	*	H	α-helix	trans	-73.5	-19.9	178.1	45	0	0	0	0	113.7	F7 F8 L13 A14	F7-T11 PolarHBondContact O-N 3.43Å; F7-T11 PolarHBondContact O-OG1 3.14Å; F8-T11 PolarHBondContact O-OG1 3.48Å; T11-L13 VanDerWaalsContact C-N 3.28Å; T11-L13 PolarHBondContact O-N 3.38Å; T11-A14 PolarHBondContact O-N 3.42Å
12	S	43.9	Very low	42.3	Very low	88 Å²	88	132.5 Å²	132.5	62%	0.615	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-21.7	-179.1	-34.3	0	0	0	0	113.5	F8 L10	F8-S12 PolarHBondContact O-OG 3.41Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 3.36Å
13	L	44.5	Very low	40.7	Very low	153 Å²	153	131.8 Å²	131.8	80%	0.801	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-14.6	-179.1	-90.4	93.2	0	0	0	113.9	T11	T11-L13 VanDerWaalsContact C-N 3.28Å; T11-L13 PolarHBondContact O-N 3.38Å
14	A	38.4	Very low	39.2	Very low	79 Å²	79	135.1 Å²	135.1	65%	0.653	71%	0.709	S	S	*	*	S	Bend	trans	-92.4	-4.5	-168.9	0	0	0	0	0	115.6	T11	T11-A14 PolarHBondContact O-N 3.42Å
15	I	40.6	Very low	37.9	Very low	148 Å²	148	139.1 Å²	139.1	76%	0.759	71%	0.714	S	S	*	*	S	Bend	trans	-109.6	-2.6	-172.2	-53.2	176.9	0	0	0	113.5	D17	I15-D17 VanDerWaalsContact C-N 3.32Å; I15-D17 PolarHBondContact O-N 3.43Å
16	A	36.2	Very low	36.5	Very low	85 Å²	85	142.1 Å²	142.1	70%	0.702	72%	0.722	S	S	*	*			trans	-90	11.5	178.2	0	0	0	0	0	114.5	S18	A16-S18 PolarHBondContact O-N 2.8Å
17	D	33.1	Very low	35	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	73%	0.729	S	S	*	*			trans	-79.4	32.6	169.6	-133.8	-0.7	0	0	0	111.5	I15 S19	I15-D17 VanDerWaalsContact C-N 3.32Å; I15-D17 PolarHBondContact O-N 3.43Å; D17-S19 VanDerWaalsContact C-N 3.28Å; D17-S19 PolarHBondContact O-N 3Å
18	S	30.9	Very low	33.6	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	73%	0.73	S	S	*	*			trans	-61.6	99.9	168	58.1	0	0	0	0	106.6	A16 K20	A16-S18 PolarHBondContact O-N 2.8Å; S18-K20 PolarHBondContact O-N 3.13Å; S18-K20 VanDerWaalsContact O-N 3.13Å
19	S	28	Very low	32.5	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	73%	0.732	S	S	*	*			trans	-29.2	119.3	178	69.8	0	0	0	0	109.4	D17 K21	D17-S19 VanDerWaalsContact C-N 3.28Å; D17-S19 PolarHBondContact O-N 3Å; S19-K21 PolarHBondContact O-N 3.35Å
20	K	29.6	Very low	31.7	Very low	209 Å²	209	134.2 Å²	134.2	91%	0.909	72%	0.722	S	S	*	*			trans	-59.9	81.1	159.2	-72.1	174.6	-178.5	170.3	0	105.8	S18 R22	S18-K20 PolarHBondContact O-N 3.13Å; S18-K20 VanDerWaalsContact O-N 3.13Å; K20-R22 PolarHBondContact O-N 3.22Å
21	K	23.8	Very low	31	Very low	178 Å²	178	135.5 Å²	135.5	77%	0.774	73%	0.725	S	S	*	*			trans	-58.9	89.1	160.8	-100	-179	176.6	175.7	0	103.1	S19 V23	S19-K21 PolarHBondContact O-N 3.35Å; K21-V23 PolarHBondContact O-N 2.93Å
22	R	22.1	Very low	30.9	Very low	232 Å²	232	135 Å²	135	88%	0.875	72%	0.718	S	S	*	*			trans	-57.8	96.9	172.6	-153.5	-179.3	-150.3	176.9	5.7	102.9	K20 K24	K20-R22 PolarHBondContact O-N 3.22Å; R22-K24 VanDerWaalsContact C-N 3.25Å; R22-K24 PolarHBondContact O-N 2.83Å
23	V	21.9	Very low	30.6	Very low	122 Å²	122	131.1 Å²	131.1	74%	0.739	69%	0.691	S	S	*	*			trans	-56.7	102.8	175.9	177.4	0	0	0	0	103.3	K21 R25	K21-V23 PolarHBondContact O-N 2.93Å; V23-R25 PolarHBondContact O-N 2.64Å
24	K	21.9	Very low	30.6	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	69%	0.693	S	S	*	*			trans	-58.8	99.8	169.7	-80.6	-177	175.2	-179.3	0	103.2	R22 F26	R22-K24 VanDerWaalsContact C-N 3.25Å; R22-K24 PolarHBondContact O-N 2.83Å; K24-F26 VanDerWaalsContact C-N 3.31Å; K24-F26 WeakPolarHBondContact O-CD2 3.28Å; K24-F26 PolarHBondContact O-N 2.64Å
25	R	24.2	Very low	31	Very low	231 Å²	231	132.8 Å²	132.8	87%	0.872	68%	0.677	S	S	*	*			trans	-56	104.7	171.9	-68.9	-179.2	-180	-173.3	-1.4	104	V23 A27	V23-R25 PolarHBondContact O-N 2.64Å; R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3.49Å
26	F	23.5	Very low	31.4	Very low	192 Å²	192	126.4 Å²	126.4	84%	0.842	65%	0.645	S	S	*	*			trans	-64	99	172.7	-77.1	-89.7	0	0	0	105.1	K24	K24-F26 VanDerWaalsContact C-N 3.31Å; K24-F26 WeakPolarHBondContact O-CD2 3.28Å; K24-F26 PolarHBondContact O-N 2.64Å
27	A	23.7	Very low	32	Very low	86 Å²	86	127 Å²	127	71%	0.711	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-61.3	127.7	159.4	0	0	0	0	0	105.4	R25	R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3.49Å
28	P	23.9	Very low	32.9	Very low	109 Å²	109	128.9 Å²	128.9	71%	0.708	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.5	142.9	-177.6	18.7	-29.9	0	0	0	110.4	V30	P28-V30 PolarHBondContact O-N 2.71Å
29	P	28	Very low	33.6	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-58	136.4	-175.8	21.7	-31.2	0	0	0	111.1	Q31	P29-Q31 PolarHBondContact O-N 2.76Å
30	V	33.3	Very low	34.6	Very low	72 Å²	72	129.3 Å²	129.3	44%	0.436	62%	0.621	S	S	.	*			trans	-59.1	92.4	-168.7	-158.2	0	0	0	0	111.2	P28 M52	P28-V30 PolarHBondContact O-N 2.71Å; V30-M52 HydrophobicContact CB-CB 4.43Å; V30-M52 HydrophobicContact CG1-CB 4.06Å; V30-M52 WeakPolarHBondContact CG1-O 3.25Å
31	Q	32	Very low	35.2	Very low	152 Å²	152	126.7 Å²	126.7	71%	0.71	61%	0.61	S	S	*	*			trans	-108.1	23.6	-177.4	-93.5	-170.4	-5.3	0	0	113.6	P29	P29-Q31 PolarHBondContact O-N 2.76Å
32	L	44.8	Very low	36.3	Very low	70 Å²	70	121.8 Å²	121.8	37%	0.366	60%	0.597	S	S	.	*			trans	-98.6	-29.4	-154.5	-73.5	158.6	0	0	0	116.6	R34 S35 F71	L32-R34 PolarHBondContact O-N 2.83Å; L32-R34 VanDerWaalsContact O-N 3.14Å; L32-S35 WeakPolarHBondContact O-CA 3.27Å; L32-S35 WeakPolarHBondContact O-CB 3.37Å; L32-S35 PolarHBondContact O-N 3.18Å; L32-S35 PolarHBondContact O-OG 3.08Å; L32-F71 HydrophobicContact CD1-CD2 3.95Å; L32-F71 HydrophobicContact CD1-CE2 3.67Å
33	C	39.4	Very low	37.5	Very low	7 Å²	7	111.3 Å²	111.3	5%	0.047	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-62.2	-26	175.5	-60.8	0	0	0	0	112.1	S35 C36 C47 M52	C33-S35 PolarHBondContact O-N 3.35Å; C33-S35 VanDerWaalsContact O-N 3.09Å; C33-C36 PolarHBondContact O-N 3.34Å; C33-C47 WeakPolarHBondContact CA-SG 3.4Å; C33-C47 HydrophobicContact CB-CB 4.1Å; C33-C47 WeakPolarHBondContact CB-SG 3.34Å; C33-C47 WeakPolarHBondContact SG-CB 3.41Å; C33-C47 CovalentContact SG-SG 2.04Å; C33-C47 PolarHBondContact SG-SG 2.89Å; C33-M52 HydrophobicContact CB-CE 4.08Å; C33-M52 HydrophobicContact CB-SD 3.81Å; C33-M52 VanDerWaalsContact SG-CA 3.51Å
34	R	44.1	Very low	38.8	Very low	222 Å²	222	111.6 Å²	111.6	84%	0.838	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-63.6	-11.2	171.3	-69	-171.1	-179.1	-167.7	0.3	114	L32 M52	L32-R34 PolarHBondContact O-N 2.83Å; L32-R34 VanDerWaalsContact O-N 3.14Å; R34-M52 HydrophobicContact CG-SD 4.49Å
35	S	47	Very low	40	Very low	44 Å²	44	106.8 Å²	106.8	31%	0.308	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-101.5	-2.8	179.2	76.4	0	0	0	0	114.2	L32 C33 D37 K67	L32-S35 WeakPolarHBondContact O-CA 3.27Å; L32-S35 WeakPolarHBondContact O-CB 3.37Å; L32-S35 PolarHBondContact O-N 3.18Å; L32-S35 PolarHBondContact O-OG 3.08Å; C33-S35 PolarHBondContact O-N 3.35Å; C33-S35 VanDerWaalsContact O-N 3.09Å; S35-D37 PolarHBondContact O-N 2.64Å; S35-K67 PolarHBondContact O-NZ 2.98Å
36	C	49	Very low	41.2	Very low	15 Å²	15	98.7 Å²	98.7	10%	0.101	50%	0.504	C	S	.	.	S	Bend	trans	-68	128.4	168.2	-69.1	0	0	0	0	108.3	C33 C43 W44	C33-C36 PolarHBondContact O-N 3.34Å; C36-C43 HydrophobicContact CB-CB 3.92Å; C36-C43 WeakPolarHBondContact CB-SG 3.38Å; C36-C43 VanDerWaalsContact SG-C 3.52Å; C36-C43 WeakPolarHBondContact SG-CB 3.43Å; C36-C43 CovalentContact SG-SG 2.07Å; C36-C43 PolarHBondContact SG-SG 3.18Å; C36-W44 HydrophobicContact CB-CD2 4.37Å; C36-W44 HydrophobicContact CB-CG 4.19Å
37	D	49	Very low	42.6	Very low	97 Å²	97	90.4 Å²	90.4	52%	0.519	47%	0.469	S	S	.	.			trans	-66	141.9	168.1	-165.4	-42.9	0	0	0	108	S35 N39 D40 W44	S35-D37 PolarHBondContact O-N 2.64Å; D37-N39 PolarHBondContact O-N 2.84Å; D37-N39 VanDerWaalsContact O-N 3.09Å; D37-N39 PolarHBondContact OD1-N 2.9Å; D37-N39 VanDerWaalsContact OD1-N 3.15Å; D37-D40 HydrophobicContact CB-CB 4.24Å; D37-D40 WeakPolarHBondContact O-CB 3.5Å; D37-D40 PolarHBondContact O-N 3.41Å; D37-W44 PolarHBondContact O-NE1 2.87Å
38	Y	50.6	Low	43.9	Very low	198 Å²	198	88.8 Å²	88.8	78%	0.776	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.9	177.8	-177.4	-96.4	0	0	0	112.2
39	N	46.1	Very low	45	Very low	136 Å²	136	88.4 Å²	88.4	73%	0.727	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7	179.3	-61.2	-31.6	0	0	0	114	D37 F41	D37-N39 PolarHBondContact O-N 2.84Å; D37-N39 VanDerWaalsContact O-N 3.09Å; D37-N39 PolarHBondContact OD1-N 2.9Å; D37-N39 VanDerWaalsContact OD1-N 3.15Å; N39-F41 VanDerWaalsContact C-N 3.32Å; N39-F41 PolarHBondContact O-N 3Å; N39-F41 VanDerWaalsContact O-N 3.13Å
40	D	48.1	Very low	45.7	Very low	55 Å²	55	91.8 Å²	91.8	29%	0.294	46%	0.455	S	S	.	.			trans	-89.5	72.6	178.8	-164.7	-17	0	0	0	109.9	D37 P42 C43 W44	D37-D40 HydrophobicContact CB-CB 4.24Å; D37-D40 WeakPolarHBondContact O-CB 3.5Å; D37-D40 PolarHBondContact O-N 3.41Å; D40-P42 VanDerWaalsContact C-CD 3.46Å; D40-P42 WeakPolarHBondContact OD1-CD 3.41Å; D40-C43 HydrophobicContact CB-CB 3.8Å; D40-C43 WeakPolarHBondContact O-CA 3.44Å; D40-C43 WeakPolarHBondContact O-CB 3.33Å; D40-C43 PolarHBondContact O-N 3.04Å; D40-C43 WeakPolarHBondContact OD1-CB 3.11Å; D40-C43 PolarHBondContact OD1-N 2.94Å; D40-C43 WeakPolarHBondContact OD2-CB 3.34Å; D40-W44 PolarHBondContact O-N 3.36Å
41	F	42.3	Very low	46.4	Very low	155 Å²	155	92.1 Å²	92.1	68%	0.68	45%	0.454	S	S	*	.	H	α-helix	trans	-54.1	-43	-175.9	-167	-95.6	0	0	0	113.3	N39 W44 T45	N39-F41 VanDerWaalsContact C-N 3.32Å; N39-F41 PolarHBondContact O-N 3Å; N39-F41 VanDerWaalsContact O-N 3.13Å; F41-W44 PolarHBondContact O-N 3.16Å; F41-T45 HydrophobicContact CD1-CG2 3.93Å; F41-T45 HydrophobicContact CE1-CG2 3.58Å; F41-T45 HydrophobicContact CE2-CG2 4.43Å; F41-T45 HydrophobicContact CG-CG2 4.49Å; F41-T45 HydrophobicContact CZ-CG2 3.86Å; F41-T45 WeakPolarHBondContact O-CG2 3.36Å; F41-T45 PolarHBondContact O-N 3.5Å; F41-T45 PolarHBondContact O-OG1 2.77Å; F41-T45 VanDerWaalsContact O-OG1 3.05Å
42	P	47.9	Very low	46.9	Very low	75 Å²	75	87.8 Å²	87.8	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-40.5	173.3	-20.4	32.9	0	0	0	112.8	D40 W44 T45 H46	D40-P42 VanDerWaalsContact C-CD 3.46Å; D40-P42 WeakPolarHBondContact OD1-CD 3.41Å; P42-W44 VanDerWaalsContact C-N 3.3Å; P42-W44 PolarHBondContact O-N 3.38Å; P42-T45 PolarHBondContact O-OG1 3.3Å; P42-H46 WeakPolarHBondContact O-CB 3.48Å; P42-H46 PolarHBondContact O-CD2 3.17Å; P42-H46 PolarHBondContact O-N 2.79Å
43	C	47.9	Very low	47	Very low	12 Å²	12	85.6 Å²	85.6	8%	0.081	43%	0.426	C	S	.	.	H	α-helix	trans	-58.9	-46.3	176.4	-172.1	0	0	0	0	111	C36 D40 C47	C36-C43 HydrophobicContact CB-CB 3.92Å; C36-C43 WeakPolarHBondContact CB-SG 3.38Å; C36-C43 VanDerWaalsContact SG-C 3.52Å; C36-C43 WeakPolarHBondContact SG-CB 3.43Å; C36-C43 CovalentContact SG-SG 2.07Å; C36-C43 PolarHBondContact SG-SG 3.18Å; D40-C43 HydrophobicContact CB-CB 3.8Å; D40-C43 WeakPolarHBondContact O-CA 3.44Å; D40-C43 WeakPolarHBondContact O-CB 3.33Å; D40-C43 PolarHBondContact O-N 3.04Å; D40-C43 WeakPolarHBondContact OD1-CB 3.11Å; D40-C43 PolarHBondContact OD1-N 2.94Å; D40-C43 WeakPolarHBondContact OD2-CB 3.34Å; C43-C47 WeakPolarHBondContact O-CB 3.48Å; C43-C47 PolarHBondContact O-N 3.27Å
44	W	48.6	Very low	47.4	Very low	128 Å²	128	87.5 Å²	87.5	49%	0.485	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-44.9	-177.5	-90.5	96.3	0	0	0	113.8	C36 D37 D40 F41 P42 H46 C47	C36-W44 HydrophobicContact CB-CD2 4.37Å; C36-W44 HydrophobicContact CB-CG 4.19Å; D37-W44 PolarHBondContact O-NE1 2.87Å; D40-W44 PolarHBondContact O-N 3.36Å; F41-W44 PolarHBondContact O-N 3.16Å; P42-W44 VanDerWaalsContact C-N 3.3Å; P42-W44 PolarHBondContact O-N 3.38Å; W44-H46 VanDerWaalsContact C-N 3.31Å; W44-H46 PolarHBondContact O-N 2.89Å; W44-C47 PolarHBondContact O-N 3.09Å
45	T	47.2	Very low	47.8	Very low	76 Å²	76	80.6 Å²	80.6	47%	0.466	42%	0.418	S	S	.	.	H	α-helix	trans	-69.8	-28.6	-177.2	50.4	0	0	0	0	113.2	F41 P42	F41-T45 HydrophobicContact CD1-CG2 3.93Å; F41-T45 HydrophobicContact CE1-CG2 3.58Å; F41-T45 HydrophobicContact CE2-CG2 4.43Å; F41-T45 HydrophobicContact CG-CG2 4.49Å; F41-T45 HydrophobicContact CZ-CG2 3.86Å; F41-T45 WeakPolarHBondContact O-CG2 3.36Å; F41-T45 PolarHBondContact O-N 3.5Å; F41-T45 PolarHBondContact O-OG1 2.77Å; F41-T45 VanDerWaalsContact O-OG1 3.05Å; P42-T45 PolarHBondContact O-OG1 3.3Å
46	H	49.4	Very low	47.8	Very low	61 Å²	61	79.2 Å²	79.2	28%	0.282	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	2.2	179.3	-65.2	-61	0	0	0	113.5	P42 W44 W54 S55	P42-H46 WeakPolarHBondContact O-CB 3.48Å; P42-H46 PolarHBondContact O-CD2 3.17Å; P42-H46 PolarHBondContact O-N 2.79Å; W44-H46 VanDerWaalsContact C-N 3.31Å; W44-H46 PolarHBondContact O-N 2.89Å; H46-W54 HydrophobicContact CB-CD2 4.25Å; H46-W54 HydrophobicContact CB-CE3 3.98Å; H46-W54 HydrophobicContact CB-CH2 3.36Å; H46-W54 HydrophobicContact CB-CZ2 3.63Å; H46-W54 HydrophobicContact CB-CZ3 3.53Å; H46-S55 PolarHBondContact O-N 3.45Å; H46-S55 PolarHBondContact O-OG 3.08Å; H46-S55 VanDerWaalsContact O-OG 3.07Å
47	C	52.3	Low	47.6	Very low	17 Å²	17	80.9 Å²	80.9	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125	168.8	-130	0	0	0	0	109.4	C33 C43 W44 P49	C33-C47 WeakPolarHBondContact CA-SG 3.4Å; C33-C47 HydrophobicContact CB-CB 4.1Å; C33-C47 WeakPolarHBondContact CB-SG 3.34Å; C33-C47 WeakPolarHBondContact SG-CB 3.41Å; C33-C47 CovalentContact SG-SG 2.04Å; C33-C47 PolarHBondContact SG-SG 2.89Å; C43-C47 WeakPolarHBondContact O-CB 3.48Å; C43-C47 PolarHBondContact O-N 3.27Å; W44-C47 PolarHBondContact O-N 3.09Å; C47-P49 WeakPolarHBondContact O-CD 3.48Å
48	N	51.4	Low	47.3	Very low	53 Å²	53	78.8 Å²	78.8	28%	0.283	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.2	169.8	177.4	-15.2	0	0	0	108.6	M50 N51 M52 S53	N48-M50 VanDerWaalsContact C-N 3.25Å; N48-M50 PolarHBondContact O-N 3.43Å; N48-M50 WeakPolarHBondContact OD1-CB 2.98Å; N48-M50 PolarHBondContact OD1-N 2.92Å; N48-N51 WeakPolarHBondContact CB-OD1 3.5Å; N48-N51 PolarHBondContact ND2-ND2 3.38Å; N48-N51 PolarHBondContact ND2-OD1 3.49Å; N48-N51 PolarHBondContact O-N 3.11Å; N48-N51 PolarHBondContact O-OD1 3Å; N48-N51 PolarHBondContact OD1-OD1 2.82Å; N48-M52 WeakPolarHBondContact O-CA 3.19Å; N48-M52 PolarHBondContact O-N 3.39Å; N48-S53 PolarHBondContact N-O 2.91Å
49	P	45.8	Very low	46.8	Very low	101 Å²	101	78.1 Å²	78.1	66%	0.656	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-25	-173.5	27.4	-34.4	0	0	0	112.8	C47	C47-P49 WeakPolarHBondContact O-CD 3.48Å
50	M	44.2	Very low	46.7	Very low	181 Å²	181	75.9 Å²	75.9	89%	0.892	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-38.7	-178.9	-82.5	-89.6	-155	0	0	112.6	N48	N48-M50 VanDerWaalsContact C-N 3.25Å; N48-M50 PolarHBondContact O-N 3.43Å; N48-M50 WeakPolarHBondContact OD1-CB 2.98Å; N48-M50 PolarHBondContact OD1-N 2.92Å
51	N	47.5	Very low	46.5	Very low	79 Å²	79	74 Å²	74	42%	0.422	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	7.6	-175.5	62	8.9	0	0	0	113	N48 S53	N48-N51 WeakPolarHBondContact CB-OD1 3.5Å; N48-N51 PolarHBondContact ND2-ND2 3.38Å; N48-N51 PolarHBondContact ND2-OD1 3.49Å; N48-N51 PolarHBondContact O-N 3.11Å; N48-N51 PolarHBondContact O-OD1 3Å; N48-N51 PolarHBondContact OD1-OD1 2.82Å; N51-S53 PolarHBondContact ND2-OG 3.31Å; N51-S53 VanDerWaalsContact ND2-OG 3.15Å; N51-S53 PolarHBondContact O-N 3.35Å; N51-S53 VanDerWaalsContact O-N 3.07Å; N51-S53 PolarHBondContact OD1-N 2.95Å; N51-S53 PolarHBondContact OD1-OG 2.81Å
52	M	43.3	Very low	46.5	Very low	61 Å²	61	70.2 Å²	70.2	30%	0.3	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	24.5	178.2	-68.2	-98.9	135.1	0	0	113.7	V30 C33 R34 N48	V30-M52 HydrophobicContact CB-CB 4.43Å; V30-M52 HydrophobicContact CG1-CB 4.06Å; V30-M52 WeakPolarHBondContact CG1-O 3.25Å; C33-M52 HydrophobicContact CB-CE 4.08Å; C33-M52 HydrophobicContact CB-SD 3.81Å; C33-M52 VanDerWaalsContact SG-CA 3.51Å; R34-M52 HydrophobicContact CG-SD 4.49Å; N48-M52 WeakPolarHBondContact O-CA 3.19Å; N48-M52 PolarHBondContact O-N 3.39Å
53	S	47.1	Very low	46.1	Very low	25 Å²	25	71.5 Å²	71.5	18%	0.175	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.9	-172.6	70.5	0	0	0	0	112.2	N48 N51	N48-S53 PolarHBondContact N-O 2.91Å; N51-S53 PolarHBondContact ND2-OG 3.31Å; N51-S53 VanDerWaalsContact ND2-OG 3.15Å; N51-S53 PolarHBondContact O-N 3.35Å; N51-S53 VanDerWaalsContact O-N 3.07Å; N51-S53 PolarHBondContact OD1-N 2.95Å; N51-S53 PolarHBondContact OD1-OG 2.81Å
54	W	47.6	Very low	45.5	Very low	46 Å²	46	74 Å²	74	17%	0.174	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.4	172.4	-174.4	-104.3	0	0	0	110.2	H46 G56 F71	H46-W54 HydrophobicContact CB-CD2 4.25Å; H46-W54 HydrophobicContact CB-CE3 3.98Å; H46-W54 HydrophobicContact CB-CH2 3.36Å; H46-W54 HydrophobicContact CB-CZ2 3.63Å; H46-W54 HydrophobicContact CB-CZ3 3.53Å; W54-G56 VanDerWaalsContact NE1-C 3.3Å; W54-G56 VanDerWaalsContact NE1-CA 3.27Å; W54-G56 PolarHBondContact NE1-O 3.39Å; W54-F71 HydrophobicContact CB-CD1 4.34Å; W54-F71 HydrophobicContact CB-CG 4.4Å
55	S	51.1	Low	45.2	Very low	78 Å²	78	69.5 Å²	69.5	55%	0.545	40%	0.402	S	S	.	.			trans	-108.1	1.2	174.7	59.1	0	0	0	0	113.9	H46	H46-S55 PolarHBondContact O-N 3.45Å; H46-S55 PolarHBondContact O-OG 3.08Å; H46-S55 VanDerWaalsContact O-OG 3.07Å
56	G	48.2	Very low	44.8	Very low	14 Å²	14	73.7 Å²	73.7	14%	0.144	41%	0.41	C	S	.	.	S	Bend	trans	-78.2	158.8	176.5	0	0	0	0	0	113.2	W54	W54-G56 VanDerWaalsContact NE1-C 3.3Å; W54-G56 VanDerWaalsContact NE1-CA 3.27Å; W54-G56 PolarHBondContact NE1-O 3.39Å
57	S	44	Very low	44.6	Very low	50 Å²	50	74.5 Å²	74.5	35%	0.35	41%	0.412	S	S	.	.			trans	-74.2	140.6	174.6	-51.6	0	0	0	0	110.6	Y59 Q60	S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3.16Å; S57-Y59 WeakPolarHBondContact OG-CE1 3.36Å; S57-Q60 VanDerWaalsContact N-OE1 3.12Å; S57-Q60 VanDerWaalsContact O-CB 3.25Å; S57-Q60 WeakPolarHBondContact O-CB 3.27Å; S57-Q60 PolarHBondContact O-N 3.08Å
58	C	42.1	Very low	44.2	Very low	53 Å²	53	74 Å²	74	36%	0.358	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-61.5	-28.9	-175.4	-75.8	0	0	0	0	115.9	Q60 C61 C72	C58-Q60 PolarHBondContact O-N 2.94Å; C58-C61 WeakPolarHBondContact O-CB 3.22Å; C58-C61 PolarHBondContact O-N 2.77Å; C58-C61 VanDerWaalsContact O-N 3.17Å; C58-C61 PolarHBondContact O-SG 2.78Å; C58-C61 VanDerWaalsContact O-SG 3.41Å; C58-C72 WeakPolarHBondContact CA-SG 3.49Å; C58-C72 HydrophobicContact CB-CB 3.66Å; C58-C72 WeakPolarHBondContact CB-SG 3.03Å; C58-C72 WeakPolarHBondContact SG-CA 3.38Å; C58-C72 WeakPolarHBondContact SG-CB 3.4Å; C58-C72 CovalentContact SG-SG 2.03Å; C58-C72 PolarHBondContact SG-SG 3.41Å
59	Y	41.2	Very low	43.9	Very low	185 Å²	185	74.8 Å²	74.8	73%	0.725	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-68.2	-10.4	174.9	66.7	-99.3	0	0	0	113	S57	S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3.16Å; S57-Y59 WeakPolarHBondContact OG-CE1 3.36Å
60	Q	43.7	Very low	43.7	Very low	88 Å²	88	76 Å²	76	41%	0.411	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-88.4	-6.4	175.7	-58.9	177.1	-47	0	0	112.5	S57 C58 S62	S57-Q60 VanDerWaalsContact N-OE1 3.12Å; S57-Q60 VanDerWaalsContact O-CB 3.25Å; S57-Q60 WeakPolarHBondContact O-CB 3.27Å; S57-Q60 PolarHBondContact O-N 3.08Å; C58-Q60 PolarHBondContact O-N 2.94Å; Q60-S62 PolarHBondContact O-N 3.5Å
61	C	44.1	Very low	43.5	Very low	17 Å²	17	71.3 Å²	71.3	12%	0.115	38%	0.382	C	S	.	.	S	Bend	trans	-65.3	124.6	174	-61.9	0	0	0	0	109.7	C58 C68 L69 C72	C58-C61 WeakPolarHBondContact O-CB 3.22Å; C58-C61 PolarHBondContact O-N 2.77Å; C58-C61 VanDerWaalsContact O-N 3.17Å; C58-C61 PolarHBondContact O-SG 2.78Å; C58-C61 VanDerWaalsContact O-SG 3.41Å; C61-C68 VanDerWaalsContact CA-SG 3.51Å; C61-C68 HydrophobicContact CB-CB 3.76Å; C61-C68 WeakPolarHBondContact CB-SG 3.11Å; C61-C68 VanDerWaalsContact SG-C 3.54Å; C61-C68 WeakPolarHBondContact SG-CB 3.48Å; C61-C68 CovalentContact SG-SG 2.04Å; C61-C68 PolarHBondContact SG-SG 3.44Å; C61-L69 HydrophobicContact CB-CD2 4.03Å; C61-L69 HydrophobicContact CB-CG 4.32Å; C61-C72 VanDerWaalsContact SG-SG 3.61Å
62	S	41.9	Very low	43.2	Very low	75 Å²	75	68 Å²	68	52%	0.524	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.6	144.2	172.3	-61.2	0	0	0	0	110.7	Q60 G64 D65	Q60-S62 PolarHBondContact O-N 3.5Å; S62-G64 PolarHBondContact O-N 3.04Å; S62-D65 WeakPolarHBondContact O-CB 3.21Å; S62-D65 PolarHBondContact O-N 2.9Å
63	P	38.6	Very low	42.9	Very low	101 Å²	101	74.7 Å²	74.7	66%	0.656	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.6	169	-24.6	33.8	0	0	0	110.7
64	G	35.2	Very low	42	Very low	65 Å²	65	80.6 Å²	80.6	67%	0.67	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-10.6	-177.6	0	0	0	0	0	115.5	S62 W66	S62-G64 PolarHBondContact O-N 3.04Å; G64-W66 PolarHBondContact O-N 2.87Å
65	D	42.1	Very low	41	Very low	33 Å²	33	83.3 Å²	83.3	18%	0.176	44%	0.435	C	S	.	.			trans	-76.9	75.2	171.2	-171.8	-8.7	0	0	0	110.6	S62 K67 C68 L69	S62-D65 WeakPolarHBondContact O-CB 3.21Å; S62-D65 PolarHBondContact O-N 2.9Å; D65-K67 PolarHBondContact O-N 3.43Å; D65-K67 VanDerWaalsContact O-N 3.14Å; D65-K67 WeakPolarHBondContact OD1-CB 3.32Å; D65-K67 PolarHBondContact OD1-N 3.26Å; D65-C68 HydrophobicContact CB-CB 4.09Å; D65-C68 VanDerWaalsContact CG-CB 3.41Å; D65-C68 PolarHBondContact O-N 3.47Å; D65-C68 PolarHBondContact OD1-N 2.87Å; D65-C68 VanDerWaalsContact OD2-CB 3.23Å; D65-C68 WeakPolarHBondContact OD2-CB 3.42Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.18Å
66	W	40.4	Very low	40	Very low	165 Å²	165	85.2 Å²	85.2	63%	0.625	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-22.7	179.8	69	-91.6	0	0	0	112.5	G64 K70	G64-W66 PolarHBondContact O-N 2.87Å; W66-K70 HydrophobicContact CZ3-CD 4.32Å; W66-K70 WeakPolarHBondContact O-CB 3.48Å; W66-K70 PolarHBondContact O-N 3.08Å
67	K	43.5	Very low	39.2	Very low	78 Å²	78	94 Å²	94	34%	0.339	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-47.5	177.7	-66	179.2	-177.5	170.1	0	110.1	S35 D65 K70	S35-K67 PolarHBondContact O-NZ 2.98Å; D65-K67 PolarHBondContact O-N 3.43Å; D65-K67 VanDerWaalsContact O-N 3.14Å; D65-K67 WeakPolarHBondContact OD1-CB 3.32Å; D65-K67 PolarHBondContact OD1-N 3.26Å; K67-K70 PolarHBondContact O-N 3.33Å
68	C	44.7	Very low	38.7	Very low	6 Å²	6	95.2 Å²	95.2	4%	0.041	48%	0.482	C	S	.	.	H	α-helix	trans	-61.6	-47.9	173.1	-170.8	0	0	0	0	111	C61 D65 K70 F71 C72	C61-C68 VanDerWaalsContact CA-SG 3.51Å; C61-C68 HydrophobicContact CB-CB 3.76Å; C61-C68 WeakPolarHBondContact CB-SG 3.11Å; C61-C68 VanDerWaalsContact SG-C 3.54Å; C61-C68 WeakPolarHBondContact SG-CB 3.48Å; C61-C68 CovalentContact SG-SG 2.04Å; C61-C68 PolarHBondContact SG-SG 3.44Å; D65-C68 HydrophobicContact CB-CB 4.09Å; D65-C68 VanDerWaalsContact CG-CB 3.41Å; D65-C68 PolarHBondContact O-N 3.47Å; D65-C68 PolarHBondContact OD1-N 2.87Å; D65-C68 VanDerWaalsContact OD2-CB 3.23Å; D65-C68 WeakPolarHBondContact OD2-CB 3.42Å; C68-K70 VanDerWaalsContact C-N 3.32Å; C68-K70 PolarHBondContact O-N 2.88Å; C68-F71 PolarHBondContact O-N 3.33Å; C68-F71 VanDerWaalsContact O-N 3.1Å; C68-C72 PolarHBondContact O-N 2.83Å; C68-C72 VanDerWaalsContact O-N 3.15Å
69	L	45.5	Very low	38.2	Very low	69 Å²	69	99.8 Å²	99.8	36%	0.361	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-33.6	179.5	-68	171.3	0	0	0	113.2	C61 D65 F71 C72 R73	C61-L69 HydrophobicContact CB-CD2 4.03Å; C61-L69 HydrophobicContact CB-CG 4.32Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.18Å; L69-F71 PolarHBondContact O-N 3.07Å; L69-C72 CarbonylContact O-C 3.18Å; L69-C72 PolarHBondContact O-N 2.95Å; L69-C72 VanDerWaalsContact O-N 3.15Å; L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 3.44Å; L69-R73 VanDerWaalsContact O-N 3.16Å
70	K	41.4	Very low	38.1	Very low	128 Å²	128	93.2 Å²	93.2	56%	0.557	48%	0.482	S	S	*	.	H	α-helix	trans	-60.3	-32.7	176	-176.3	177.6	-180	-178.6	0	111.8	W66 K67 C68	W66-K70 HydrophobicContact CZ3-CD 4.32Å; W66-K70 WeakPolarHBondContact O-CB 3.48Å; W66-K70 PolarHBondContact O-N 3.08Å; K67-K70 PolarHBondContact O-N 3.33Å; C68-K70 VanDerWaalsContact C-N 3.32Å; C68-K70 PolarHBondContact O-N 2.88Å
71	F	40.7	Very low	37.9	Very low	82 Å²	82	92.2 Å²	92.2	36%	0.36	48%	0.483	S	S	.	.	H	α-helix	trans	-79.7	-35.4	174.8	-128.7	-91.1	0	0	0	112.1	L32 W54 C68 L69 R73	L32-F71 HydrophobicContact CD1-CD2 3.95Å; L32-F71 HydrophobicContact CD1-CE2 3.67Å; W54-F71 HydrophobicContact CB-CD1 4.34Å; W54-F71 HydrophobicContact CB-CG 4.4Å; C68-F71 PolarHBondContact O-N 3.33Å; C68-F71 VanDerWaalsContact O-N 3.1Å; L69-F71 PolarHBondContact O-N 3.07Å; F71-R73 PolarHBondContact O-N 3.03Å; F71-R73 VanDerWaalsContact O-N 3.13Å
72	C	41.5	Very low	38	Very low	10 Å²	10	97 Å²	97	7%	0.068	50%	0.499	C	S	.	.	H	α-helix	trans	-69.5	-2.7	174.6	-69	0	0	0	0	114.9	C58 C61 C68 L69 H74	C58-C72 WeakPolarHBondContact CA-SG 3.49Å; C58-C72 HydrophobicContact CB-CB 3.66Å; C58-C72 WeakPolarHBondContact CB-SG 3.03Å; C58-C72 WeakPolarHBondContact SG-CA 3.38Å; C58-C72 WeakPolarHBondContact SG-CB 3.4Å; C58-C72 CovalentContact SG-SG 2.03Å; C58-C72 PolarHBondContact SG-SG 3.41Å; C61-C72 VanDerWaalsContact SG-SG 3.61Å; C68-C72 PolarHBondContact O-N 2.83Å; C68-C72 VanDerWaalsContact O-N 3.15Å; L69-C72 CarbonylContact O-C 3.18Å; L69-C72 PolarHBondContact O-N 2.95Å; L69-C72 VanDerWaalsContact O-N 3.15Å; C72-H74 PolarHBondContact O-N 3.29Å
73	R	36.1	Very low	38.1	Very low	201 Å²	201	94.1 Å²	94.1	76%	0.758	48%	0.479	S	S	*	.			trans	-69.1	18.8	170	-74.2	-176.8	176.3	-170.1	-0.8	114	L69 F71 P75	L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 3.44Å; L69-R73 VanDerWaalsContact O-N 3.16Å; F71-R73 PolarHBondContact O-N 3.03Å; F71-R73 VanDerWaalsContact O-N 3.13Å; R73-P75 WeakPolarHBondContact O-CD 3.09Å
74	H	28.6	Very low	38.6	Very low	148 Å²	148	94 Å²	94	69%	0.685	47%	0.474	S	S	*	.	S	Bend	trans	-77.2	123.1	158.4	-86.6	-44	0	0	0	109.4	C72	C72-H74 PolarHBondContact O-N 3.29Å
75	P	26.3	Very low	39.2	Very low	104 Å²	104	95 Å²	95	68%	0.675	47%	0.47	S	S	*	.	S	Bend	trans	-53.2	144.6	167.4	-19.3	30.2	0	0	0	109.9	R73	R73-P75 WeakPolarHBondContact O-CD 3.09Å
76	P	30.7	Very low	39.3	Very low	117 Å²	117	93.9 Å²	93.9	76%	0.76	46%	0.464	S	S	*	.	S	Bend	cis	-83.5	141.4	5	33.8	-31.3	0	0	0	111.3
77	Y	30.2	Very low	39.5	Very low	199 Å²	199	89.8 Å²	89.8	78%	0.78	46%	0.459	S	S	*	.			trans	-38.8	143.7	177.8	-56.7	-88.4	0	0	0	112.5	I79	Y77-I79 PolarHBondContact O-N 2.84Å
78	P	33.3	Very low	39.6	Very low	75 Å²	75	93.4 Å²	93.4	49%	0.487	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-52.8	116.9	175.1	22.5	-31.5	0	0	0	108.1	P80	P78-P80 VanDerWaalsContact O-CD 3.25Å; P78-P80 WeakPolarHBondContact O-CD 2.98Å; P78-P80 VanDerWaalsContact O-N 3.1Å
79	I	32.2	Very low	39.4	Very low	149 Å²	149	99.8 Å²	99.8	76%	0.764	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.6	117.3	171.1	-61.9	172.1	0	0	0	104.4	Y77	Y77-I79 PolarHBondContact O-N 2.84Å
80	P	38.4	Very low	39.1	Very low	48 Å²	48	98.9 Å²	98.9	31%	0.312	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-60.4	147	-177.6	-13.5	22.5	0	0	0	110.2	P78 E96 V98	P78-P80 VanDerWaalsContact O-CD 3.25Å; P78-P80 WeakPolarHBondContact O-CD 2.98Å; P78-P80 VanDerWaalsContact O-N 3.1Å; P80-E96 WeakPolarHBondContact CB-O 2.79Å; P80-E96 WeakPolarHBondContact CG-O 2.92Å; P80-V98 HydrophobicContact CB-CG2 3.93Å; P80-V98 HydrophobicContact CG-CG2 3.82Å
81	P	41.1	Very low	39	Very low	67 Å²	67	100.1 Å²	100.1	44%	0.435	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58	157.6	177.6	25.9	-34.3	0	0	0	110.9	C97 V98	P81-C97 CarbonylContact O-C 3.59Å; P81-C97 WeakPolarHBondContact O-CA 3.19Å; P81-C97 WeakPolarHBondContact O-CB 3.41Å; P81-V98 PolarHBondContact O-N 2.84Å
82	Y	44.9	Very low	38.9	Very low	116 Å²	116	100.7 Å²	100.7	46%	0.455	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-67.3	145	170.9	-71	-68.8	0	0	0	110.6	D84 S85 V98 K100	Y82-D84 WeakPolarHBondContact CB-OD1 2.79Å; Y82-D84 PolarHBondContact O-N 3.42Å; Y82-D84 VanDerWaalsContact O-N 3.17Å; Y82-S85 VanDerWaalsContact O-CB 3.27Å; Y82-S85 WeakPolarHBondContact O-CB 3.43Å; Y82-S85 PolarHBondContact O-N 3Å; Y82-S85 PolarHBondContact O-OG 3.33Å; Y82-V98 CarbonylContact C-O 3.56Å; Y82-V98 WeakPolarHBondContact CA-O 3.3Å; Y82-V98 HydrophobicContact CD1-CB 4.29Å; Y82-V98 HydrophobicContact CD1-CG1 4.44Å; Y82-V98 WeakPolarHBondContact CD1-O 3.27Å; Y82-V98 HydrophobicContact CE1-CG1 4.28Å; Y82-K100 HydrophobicContact CD1-CG 3.61Å; Y82-K100 HydrophobicContact CE1-CG 4.04Å; Y82-K100 HydrophobicContact CG-CG 3.94Å
83	C	44.4	Very low	38.9	Very low	15 Å²	15	101.3 Å²	101.3	10%	0.101	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-63.5	-23.5	-173.4	-61.6	0	0	0	0	114.9	S85 C86 M94 C97 V98 R105	C83-S85 PolarHBondContact O-N 3.19Å; C83-C86 WeakPolarHBondContact O-CB 2.96Å; C83-C86 PolarHBondContact O-N 3.31Å; C83-C86 VanDerWaalsContact O-N 3.15Å; C83-M94 HydrophobicContact CB-SD 4.27Å; C83-C97 WeakPolarHBondContact CA-SG 3.28Å; C83-C97 HydrophobicContact CB-CB 3.88Å; C83-C97 WeakPolarHBondContact CB-SG 3.37Å; C83-C97 VanDerWaalsContact SG-C 3.55Å; C83-C97 WeakPolarHBondContact SG-CB 3.38Å; C83-C97 PolarHBondContact SG-O 3.22Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 3.21Å; C83-V98 PolarHBondContact N-O 3.49Å; C83-V98 VanDerWaalsContact SG-C 3.58Å; C83-V98 PolarHBondContact SG-O 3.37Å; C83-R105 PolarHBondContact SG-NE 3.13Å
84	D	50.3	Low	39.3	Very low	100 Å²	100	93.5 Å²	93.5	54%	0.535	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-68.9	-18.8	173.8	62.1	-21.5	0	0	0	113	Y82 C86 K100	Y82-D84 WeakPolarHBondContact CB-OD1 2.79Å; Y82-D84 PolarHBondContact O-N 3.42Å; Y82-D84 VanDerWaalsContact O-N 3.17Å; D84-C86 VanDerWaalsContact C-N 3.31Å; D84-K100 WeakPolarHBondContact OD2-CE 3.21Å; D84-K100 IonicContact OD2-NZ 3.91Å; D84-K100 PolarHBondContact OD2-NZ 3.44Å
85	S	47.3	Very low	39.9	Very low	84 Å²	84	88 Å²	88	59%	0.587	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-83.9	-9.9	174.2	-49	0	0	0	0	112.3	Y82 C83	Y82-S85 VanDerWaalsContact O-CB 3.27Å; Y82-S85 WeakPolarHBondContact O-CB 3.43Å; Y82-S85 PolarHBondContact O-N 3Å; Y82-S85 PolarHBondContact O-OG 3.33Å; C83-S85 PolarHBondContact O-N 3.19Å
86	C	43.5	Very low	40.7	Very low	10 Å²	10	89.8 Å²	89.8	7%	0.068	47%	0.469	C	S	.	.	S	Bend	trans	-87.6	127.8	179.9	-64.8	0	0	0	0	111	C83 D84 Q88 C93 M94	C83-C86 WeakPolarHBondContact O-CB 2.96Å; C83-C86 PolarHBondContact O-N 3.31Å; C83-C86 VanDerWaalsContact O-N 3.15Å; D84-C86 VanDerWaalsContact C-N 3.31Å; C86-Q88 PolarHBondContact O-N 2.83Å; C86-C93 WeakPolarHBondContact CA-SG 3.34Å; C86-C93 HydrophobicContact CB-CB 3.65Å; C86-C93 WeakPolarHBondContact CB-SG 3.16Å; C86-C93 WeakPolarHBondContact SG-CB 3.13Å; C86-C93 PolarHBondContact SG-O 3.31Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 2.84Å; C86-M94 HydrophobicContact CB-CG 3.88Å; C86-M94 HydrophobicContact CB-SD 3.76Å
87	P	44.8	Very low	41.4	Very low	80 Å²	80	84.3 Å²	84.3	52%	0.519	43%	0.434	S	S	.	.			trans	-55.7	135.7	165.9	-20.6	30.7	0	0	0	109.5	L89 N90	P87-L89 PolarHBondContact O-N 3.31Å; P87-N90 HydrophobicContact CB-CB 4.05Å; P87-N90 HydrophobicContact CG-CB 4.17Å; P87-N90 WeakPolarHBondContact O-CB 3.25Å; P87-N90 PolarHBondContact O-N 3.24Å
88	Q	46.7	Very low	42.1	Very low	154 Å²	154	77.4 Å²	77.4	72%	0.72	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.6	-178.5	-71	-177.9	-13.7	0	0	113.2	C86	C86-Q88 PolarHBondContact O-N 2.83Å
89	L	39.3	Very low	42.7	Very low	139 Å²	139	76 Å²	76	73%	0.728	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.9	178.1	-62	174	0	0	0	113.6	P87 Y91	P87-L89 PolarHBondContact O-N 3.31Å; L89-Y91 WeakPolarHBondContact O-CD1 3.13Å; L89-Y91 WeakPolarHBondContact O-CE1 3.48Å; L89-Y91 PolarHBondContact O-N 2.95Å
90	N	40.1	Very low	43.2	Very low	50 Å²	50	72.5 Å²	72.5	27%	0.267	38%	0.382	S	S	.	.			trans	-94.1	81.6	177.8	-170	-22.6	0	0	0	109.6	P87 M92 C93 M94	P87-N90 HydrophobicContact CB-CB 4.05Å; P87-N90 HydrophobicContact CG-CB 4.17Å; P87-N90 WeakPolarHBondContact O-CB 3.25Å; P87-N90 PolarHBondContact O-N 3.24Å; N90-M92 PolarHBondContact O-N 2.89Å; N90-M92 PolarHBondContact OD1-N 2.83Å; N90-C93 HydrophobicContact CB-CB 4.14Å; N90-C93 PolarHBondContact O-N 2.85Å; N90-C93 PolarHBondContact OD1-N 3.14Å; N90-M94 PolarHBondContact O-N 3.34Å
91	Y	38.7	Very low	43.5	Very low	154 Å²	154	75.6 Å²	75.6	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-57.3	-34.3	179.4	25.3	-87.4	0	0	0	112.6	L89 M94 A95	L89-Y91 WeakPolarHBondContact O-CD1 3.13Å; L89-Y91 WeakPolarHBondContact O-CE1 3.48Å; L89-Y91 PolarHBondContact O-N 2.95Å; Y91-M94 CarbonylContact O-C 3.57Å; Y91-M94 PolarHBondContact O-N 2.86Å; Y91-A95 VanDerWaalsContact O-CB 3.28Å; Y91-A95 WeakPolarHBondContact O-CB 2.92Å; Y91-A95 PolarHBondContact O-N 3.43Å
92	M	39.1	Very low	43.6	Very low	94 Å²	94	79.1 Å²	79.1	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-48.9	176.8	-69.9	-173	128.1	0	0	111.8	N90 M94 A95 E96	N90-M92 PolarHBondContact O-N 2.89Å; N90-M92 PolarHBondContact OD1-N 2.83Å; M92-M94 VanDerWaalsContact C-N 3.33Å; M92-M94 PolarHBondContact O-N 2.98Å; M92-A95 WeakPolarHBondContact O-CB 3.49Å; M92-A95 PolarHBondContact O-N 3.15Å; M92-E96 PolarHBondContact O-N 3.41Å
93	C	41.8	Very low	43.5	Very low	23 Å²	23	82.1 Å²	82.1	16%	0.155	43%	0.429	C	S	.	.	H	α-helix	trans	-60	-47.3	175.2	-172.1	0	0	0	0	110.4	C86 N90 A95 E96 C97	C86-C93 WeakPolarHBondContact CA-SG 3.34Å; C86-C93 HydrophobicContact CB-CB 3.65Å; C86-C93 WeakPolarHBondContact CB-SG 3.16Å; C86-C93 WeakPolarHBondContact SG-CB 3.13Å; C86-C93 PolarHBondContact SG-O 3.31Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 2.84Å; N90-C93 HydrophobicContact CB-CB 4.14Å; N90-C93 PolarHBondContact O-N 2.85Å; N90-C93 PolarHBondContact OD1-N 3.14Å; C93-A95 VanDerWaalsContact C-N 3.27Å; C93-A95 PolarHBondContact O-N 2.76Å; C93-E96 PolarHBondContact O-N 3.34Å; C93-C97 WeakPolarHBondContact O-CB 3.07Å; C93-C97 PolarHBondContact O-N 3.21Å
94	M	44	Very low	43.3	Very low	37 Å²	37	85.8 Å²	85.8	18%	0.182	45%	0.453	C	S	.	.	H	α-helix	trans	-63.7	-28.9	178.1	-77.7	-65.3	-142.7	0	0	113.1	C83 C86 N90 Y91 M92 C97 R105 T121	C83-M94 HydrophobicContact CB-SD 4.27Å; C86-M94 HydrophobicContact CB-CG 3.88Å; C86-M94 HydrophobicContact CB-SD 3.76Å; N90-M94 PolarHBondContact O-N 3.34Å; Y91-M94 CarbonylContact O-C 3.57Å; Y91-M94 PolarHBondContact O-N 2.86Å; M92-M94 VanDerWaalsContact C-N 3.33Å; M92-M94 PolarHBondContact O-N 2.98Å; M94-C97 PolarHBondContact O-SG 3.46Å; M94-R105 PolarHBondContact O-NH1 3.05Å; M94-R105 PolarHBondContact O-NH2 3.04Å; M94-T121 HydrophobicContact CB-CG2 4.3Å; M94-T121 HydrophobicContact CG-CG2 4.31Å
95	A	41.9	Very low	42.9	Very low	33 Å²	33	83.3 Å²	83.3	27%	0.273	44%	0.436	S	S	.	.	H	α-helix	trans	-68.3	-48.9	175.9	0	0	0	0	0	110.2	Y91 M92 C93 R105 I123	Y91-A95 VanDerWaalsContact O-CB 3.28Å; Y91-A95 WeakPolarHBondContact O-CB 2.92Å; Y91-A95 PolarHBondContact O-N 3.43Å; M92-A95 WeakPolarHBondContact O-CB 3.49Å; M92-A95 PolarHBondContact O-N 3.15Å; C93-A95 VanDerWaalsContact C-N 3.27Å; C93-A95 PolarHBondContact O-N 2.76Å; A95-R105 PolarHBondContact O-NH2 3.34Å; A95-R105 VanDerWaalsContact O-NH2 3.08Å; A95-I123 HydrophobicContact CB-CD1 3.4Å
96	E	42.6	Very low	42.4	Very low	142 Å²	142	83.6 Å²	83.6	66%	0.664	44%	0.438	S	S	*	.	H	α-helix	trans	-85.2	-24.1	-171.2	-62.1	-170	160.2	0	0	113.7	P80 M92 C93	P80-E96 WeakPolarHBondContact CB-O 2.79Å; P80-E96 WeakPolarHBondContact CG-O 2.92Å; M92-E96 PolarHBondContact O-N 3.41Å; C93-E96 PolarHBondContact O-N 3.34Å
97	C	44.7	Very low	42	Very low	2 Å²	2	86.1 Å²	86.1	1%	0.014	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-58.4	153.2	-171.5	65.1	0	0	0	0	115.7	P81 C83 C93 M94 R105	P81-C97 CarbonylContact O-C 3.59Å; P81-C97 WeakPolarHBondContact O-CA 3.19Å; P81-C97 WeakPolarHBondContact O-CB 3.41Å; C83-C97 WeakPolarHBondContact CA-SG 3.28Å; C83-C97 HydrophobicContact CB-CB 3.88Å; C83-C97 WeakPolarHBondContact CB-SG 3.37Å; C83-C97 VanDerWaalsContact SG-C 3.55Å; C83-C97 WeakPolarHBondContact SG-CB 3.38Å; C83-C97 PolarHBondContact SG-O 3.22Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 3.21Å; C93-C97 WeakPolarHBondContact O-CB 3.07Å; C93-C97 PolarHBondContact O-N 3.21Å; M94-C97 PolarHBondContact O-SG 3.46Å; C97-R105 PolarHBondContact O-NH2 3.07Å; C97-R105 VanDerWaalsContact SG-CZ 3.56Å; C97-R105 PolarHBondContact SG-NH2 2.08Å
98	V	46.4	Very low	41.7	Very low	54 Å²	54	82.7 Å²	82.7	33%	0.327	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-88.2	128.2	172.2	-176.2	0	0	0	0	109.6	P80 P81 Y82 C83	P80-V98 HydrophobicContact CB-CG2 3.93Å; P80-V98 HydrophobicContact CG-CG2 3.82Å; P81-V98 PolarHBondContact O-N 2.84Å; Y82-V98 CarbonylContact C-O 3.56Å; Y82-V98 WeakPolarHBondContact CA-O 3.3Å; Y82-V98 HydrophobicContact CD1-CB 4.29Å; Y82-V98 HydrophobicContact CD1-CG1 4.44Å; Y82-V98 WeakPolarHBondContact CD1-O 3.27Å; Y82-V98 HydrophobicContact CE1-CG1 4.28Å; C83-V98 PolarHBondContact N-O 3.49Å; C83-V98 VanDerWaalsContact SG-C 3.58Å; C83-V98 PolarHBondContact SG-O 3.37Å
99	P	45.6	Very low	41.2	Very low	44 Å²	44	83.2 Å²	83.2	29%	0.286	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.6	169.4	21.9	-28	0	0	0	111.1	R105	P99-R105 HydrophobicContact CB-CG 4.19Å
100	K	42.3	Very low	41.2	Very low	76 Å²	76	84.7 Å²	84.7	33%	0.33	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-68.1	148.6	168.2	-81.7	-178.5	173.1	170	0	109.5	Y82 D84 D102 Y103	Y82-K100 HydrophobicContact CD1-CG 3.61Å; Y82-K100 HydrophobicContact CE1-CG 4.04Å; Y82-K100 HydrophobicContact CG-CG 3.94Å; D84-K100 WeakPolarHBondContact OD2-CE 3.21Å; D84-K100 IonicContact OD2-NZ 3.91Å; D84-K100 PolarHBondContact OD2-NZ 3.44Å; K100-D102 VanDerWaalsContact C-N 3.26Å; K100-D102 PolarHBondContact O-N 3.07Å; K100-Y103 HydrophobicContact CD-CD2 4.45Å; K100-Y103 CarbonylContact O-C 3.36Å; K100-Y103 PolarHBondContact O-N 3.05Å; K100-Y103 VanDerWaalsContact O-O 3.07Å
101	P	44	Very low	41.2	Very low	113 Å²	113	82.9 Å²	82.9	73%	0.734	43%	0.429	S	S	*	.	S	Bend	trans	-56.1	-41.5	176.5	-23.6	33.1	0	0	0	112.7
102	D	44.3	Very low	41.3	Very low	141 Å²	141	82.6 Å²	82.6	75%	0.754	43%	0.433	S	S	*	.	S	Bend	trans	-87.6	-18.7	-174.8	-48.7	-41.7	0	0	0	113.5	K100 P104	K100-D102 VanDerWaalsContact C-N 3.26Å; K100-D102 PolarHBondContact O-N 3.07Å; D102-P104 VanDerWaalsContact C-CD 3.45Å; D102-P104 WeakPolarHBondContact O-CD 3.32Å
103	Y	42	Very low	41.4	Very low	180 Å²	180	83.8 Å²	83.8	71%	0.706	45%	0.446	S	S	*	.	S	Bend	trans	-120.5	75.1	172.8	-63.8	-85.7	0	0	0	108	K100 R105	K100-Y103 HydrophobicContact CD-CD2 4.45Å; K100-Y103 CarbonylContact O-C 3.36Å; K100-Y103 PolarHBondContact O-N 3.05Å; K100-Y103 VanDerWaalsContact O-O 3.07Å; Y103-R105 PolarHBondContact O-N 3.37Å
104	P	40.9	Very low	41.4	Very low	91 Å²	91	86.7 Å²	86.7	59%	0.591	47%	0.471	S	S	*	.			trans	-54.1	143.4	170.3	24.9	-32.6	0	0	0	108.2	D102 S106	D102-P104 VanDerWaalsContact C-CD 3.45Å; D102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-S106 PolarHBondContact O-N 3.33Å
105	R	40.6	Very low	41.1	Very low	48 Å²	48	88.6 Å²	88.6	18%	0.181	48%	0.482	C	S	.	.			trans	-50.8	135.4	168.3	-82.8	-177.2	-160.1	-166	10.1	107.1	C83 M94 A95 C97 P99 Y103 C107	C83-R105 PolarHBondContact SG-NE 3.13Å; M94-R105 PolarHBondContact O-NH1 3.05Å; M94-R105 PolarHBondContact O-NH2 3.04Å; A95-R105 PolarHBondContact O-NH2 3.34Å; A95-R105 VanDerWaalsContact O-NH2 3.08Å; C97-R105 PolarHBondContact O-NH2 3.07Å; C97-R105 VanDerWaalsContact SG-CZ 3.56Å; C97-R105 PolarHBondContact SG-NH2 2.08Å; P99-R105 HydrophobicContact CB-CG 4.19Å; Y103-R105 PolarHBondContact O-N 3.37Å; R105-C107 PolarHBondContact O-N 3.15Å
106	S	37.3	Very low	41.1	Very low	90 Å²	90	91.1 Å²	91.1	63%	0.629	49%	0.494	S	S	*	.			trans	-50	106.5	170	-54.7	0	0	0	0	107.3	P104 C108	P104-S106 PolarHBondContact O-N 3.33Å; S106-C108 PolarHBondContact O-N 3.26Å
107	C	36	Very low	40.8	Very low	63 Å²	63	89.4 Å²	89.4	43%	0.426	49%	0.489	S	S	.	.			trans	-66.7	140	-179.4	-70.3	0	0	0	0	107.3	R105 H109 E110	R105-C107 PolarHBondContact O-N 3.15Å; C107-H109 WeakPolarHBondContact CB-CD2 3.36Å; C107-H109 WeakPolarHBondContact CB-NE2 3.47Å; C107-H109 PolarHBondContact O-N 3.48Å; C107-E110 PolarHBondContact O-N 2.95Å; C107-E110 VanDerWaalsContact O-N 3.14Å
108	C	37.5	Very low	40.5	Very low	8 Å²	8	90.8 Å²	90.8	5%	0.054	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-63.1	-5.1	-173.4	-41.2	0	0	0	0	114.5	S106 E110 C111 C122 C125	S106-C108 PolarHBondContact O-N 3.26Å; C108-E110 PolarHBondContact O-N 2.94Å; C108-C111 WeakPolarHBondContact O-CB 3.25Å; C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.07Å; C108-C122 WeakPolarHBondContact CA-SG 2.92Å; C108-C122 HydrophobicContact CB-CB 3.9Å; C108-C122 WeakPolarHBondContact CB-SG 3.11Å; C108-C122 PolarHBondContact N-SG 2.94Å; C108-C122 WeakPolarHBondContact SG-CB 3.38Å; C108-C122 PolarHBondContact SG-O 3.25Å; C108-C122 CovalentContact SG-SG 2.02Å; C108-C122 PolarHBondContact SG-SG 2.91Å; C108-C125 HydrophobicContact CB-CB 3.37Å; C108-C125 WeakPolarHBondContact CB-SG 3.39Å
109	H	36.8	Very low	40.1	Very low	166 Å²	166	92.7 Å²	92.7	77%	0.769	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.4	173.2	-18.4	-51.2	0	0	0	112.1	C107	C107-H109 WeakPolarHBondContact CB-CD2 3.36Å; C107-H109 WeakPolarHBondContact CB-NE2 3.47Å; C107-H109 PolarHBondContact O-N 3.48Å
110	E	39	Very low	39.7	Very low	169 Å²	169	97.9 Å²	97.9	79%	0.79	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-93	-5.8	176.4	-65	-176.2	176.5	0	0	113	C107 C108 H112	C107-E110 PolarHBondContact O-N 2.95Å; C107-E110 VanDerWaalsContact O-N 3.14Å; C108-E110 PolarHBondContact O-N 2.94Å; E110-H112 PolarHBondContact O-N 3.21Å; E110-H112 VanDerWaalsContact O-N 3.12Å
111	C	39	Very low	39.4	Very low	13 Å²	13	96.2 Å²	96.2	9%	0.088	52%	0.515	C	S	.	.			trans	-67.5	115.6	177.3	-65.9	0	0	0	0	109.6	C108 C118 Y119	C108-C111 WeakPolarHBondContact O-CB 3.25Å; C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.07Å; C111-C118 VanDerWaalsContact CA-SG 3.55Å; C111-C118 HydrophobicContact CB-CB 3.82Å; C111-C118 WeakPolarHBondContact CB-SG 3.12Å; C111-C118 WeakPolarHBondContact SG-CB 3.47Å; C111-C118 CovalentContact SG-SG 2.04Å; C111-C118 PolarHBondContact SG-SG 3.35Å; C111-Y119 HydrophobicContact CB-CD2 3.99Å; C111-Y119 HydrophobicContact CB-CE2 3.96Å
112	H	41.9	Very low	39	Very low	147 Å²	147	91.6 Å²	91.6	68%	0.681	49%	0.485	S	S	*	.			trans	-67.9	144.5	168	-145.4	-89.2	0	0	0	109.2	E110 A114 D115	E110-H112 PolarHBondContact O-N 3.21Å; E110-H112 VanDerWaalsContact O-N 3.12Å; H112-A114 PolarHBondContact O-N 2.79Å; H112-D115 WeakPolarHBondContact O-CB 3.35Å; H112-D115 PolarHBondContact O-N 2.98Å
113	V	42	Very low	38.7	Very low	120 Å²	120	87.2 Å²	87.2	73%	0.727	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	-177.8	-168.2	0	0	0	0	112.6
114	A	40.9	Very low	38.3	Very low	84 Å²	84	82.6 Å²	82.6	69%	0.694	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.4	176.3	0	0	0	0	0	113.6	H112 V116	H112-A114 PolarHBondContact O-N 2.79Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.29Å
115	D	38	Very low	37.8	Very low	77 Å²	77	80.3 Å²	80.3	41%	0.412	43%	0.429	S	S	.	.			trans	-86.5	76.7	179.2	-164.3	-18.5	0	0	0	110.3	H112 L117 C118 Y119	H112-D115 WeakPolarHBondContact O-CB 3.35Å; H112-D115 PolarHBondContact O-N 2.98Å; D115-L117 PolarHBondContact O-N 2.79Å; D115-L117 PolarHBondContact OD1-N 2.97Å; D115-C118 HydrophobicContact CB-CB 3.78Å; D115-C118 WeakPolarHBondContact O-CB 3.05Å; D115-C118 PolarHBondContact O-N 2.71Å; D115-C118 WeakPolarHBondContact OD1-CB 3.27Å; D115-C118 PolarHBondContact OD1-N 3.21Å; D115-C118 WeakPolarHBondContact OD2-CB 3.29Å; D115-Y119 PolarHBondContact O-N 3.3Å
116	V	40.8	Very low	37.5	Very low	86 Å²	86	83.4 Å²	83.4	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-58.3	-31.7	178.5	-179.2	0	0	0	0	111.1	A114 K120	A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.29Å; V116-K120 HydrophobicContact CG1-CD 4.18Å; V116-K120 HydrophobicContact CG1-CG 4.35Å; V116-K120 WeakPolarHBondContact O-CB 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.41Å; V116-K120 PolarHBondContact O-N 2.99Å
117	L	38	Very low	37.3	Very low	106 Å²	106	84.6 Å²	84.6	56%	0.555	45%	0.451	S	S	*	.	H	α-helix	trans	-69.8	-47	178.5	-147.3	83.9	0	0	0	109.7	D115 Y119 K120 T121	D115-L117 PolarHBondContact O-N 2.79Å; D115-L117 PolarHBondContact OD1-N 2.97Å; L117-Y119 PolarHBondContact O-N 2.02Å; L117-K120 PolarHBondContact O-N 3.37Å; L117-T121 WeakPolarHBondContact O-CB 3.4Å; L117-T121 PolarHBondContact O-N 3.17Å; L117-T121 PolarHBondContact O-OG1 3.39Å
118	C	38.4	Very low	37.3	Very low	31 Å²	31	90.2 Å²	90.2	21%	0.209	46%	0.464	C	S	.	.	H	α-helix	trans	-54.4	-52.7	171.7	-165.2	0	0	0	0	110.1	C111 D115 K120 T121 C122	C111-C118 VanDerWaalsContact CA-SG 3.55Å; C111-C118 HydrophobicContact CB-CB 3.82Å; C111-C118 WeakPolarHBondContact CB-SG 3.12Å; C111-C118 WeakPolarHBondContact SG-CB 3.47Å; C111-C118 CovalentContact SG-SG 2.04Å; C111-C118 PolarHBondContact SG-SG 3.35Å; D115-C118 HydrophobicContact CB-CB 3.78Å; D115-C118 WeakPolarHBondContact O-CB 3.05Å; D115-C118 PolarHBondContact O-N 2.71Å; D115-C118 WeakPolarHBondContact OD1-CB 3.27Å; D115-C118 PolarHBondContact OD1-N 3.21Å; D115-C118 WeakPolarHBondContact OD2-CB 3.29Å; C118-K120 PolarHBondContact O-N 2.85Å; C118-T121 PolarHBondContact O-N 3.22Å; C118-C122 WeakPolarHBondContact O-CA 3.22Å; C118-C122 WeakPolarHBondContact O-CB 3.17Å; C118-C122 PolarHBondContact O-N 3.09Å
119	Y	37	Very low	37.1	Very low	93 Å²	93	91.2 Å²	91.2	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-58.8	-41.1	178.9	-100.5	-85.5	0	0	0	114.6	C111 D115 L117 C125	C111-Y119 HydrophobicContact CB-CD2 3.99Å; C111-Y119 HydrophobicContact CB-CE2 3.96Å; D115-Y119 PolarHBondContact O-N 3.3Å; L117-Y119 PolarHBondContact O-N 2.02Å; Y119-C125 HydrophobicContact CD1-CB 4.39Å; Y119-C125 HydrophobicContact CE1-CB 4.18Å
120	K	37.2	Very low	37	Very low	153 Å²	153	86.4 Å²	86.4	67%	0.665	45%	0.452	S	S	*	.	H	α-helix	trans	-71	-41.1	179.4	-79.9	-175.7	175.4	-175.2	0	112.8	V116 L117 C118	V116-K120 HydrophobicContact CG1-CD 4.18Å; V116-K120 HydrophobicContact CG1-CG 4.35Å; V116-K120 WeakPolarHBondContact O-CB 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.41Å; V116-K120 PolarHBondContact O-N 2.99Å; L117-K120 PolarHBondContact O-N 3.37Å; C118-K120 PolarHBondContact O-N 2.85Å
121	T	35.1	Very low	36.6	Very low	42 Å²	42	83.1 Å²	83.1	26%	0.258	43%	0.433	S	S	.	.	H	α-helix	trans	-78	-30.1	-178.8	-31.7	0	0	0	0	111	M94 L117 C118 I123	M94-T121 HydrophobicContact CB-CG2 4.3Å; M94-T121 HydrophobicContact CG-CG2 4.31Å; L117-T121 WeakPolarHBondContact O-CB 3.4Å; L117-T121 PolarHBondContact O-N 3.17Å; L117-T121 PolarHBondContact O-OG1 3.39Å; C118-T121 PolarHBondContact O-N 3.22Å; T121-I123 PolarHBondContact O-N 3.48Å
122	C	37	Very low	36.1	Very low	15 Å²	15	85 Å²	85	10%	0.101	45%	0.445	C	S	.	.			trans	-84.5	66.3	178.8	-143.4	0	0	0	0	109.1	C108 C118 Y124 C125	C108-C122 WeakPolarHBondContact CA-SG 2.92Å; C108-C122 HydrophobicContact CB-CB 3.9Å; C108-C122 WeakPolarHBondContact CB-SG 3.11Å; C108-C122 PolarHBondContact N-SG 2.94Å; C108-C122 WeakPolarHBondContact SG-CB 3.38Å; C108-C122 PolarHBondContact SG-O 3.25Å; C108-C122 CovalentContact SG-SG 2.02Å; C108-C122 PolarHBondContact SG-SG 2.91Å; C118-C122 WeakPolarHBondContact O-CA 3.22Å; C118-C122 WeakPolarHBondContact O-CB 3.17Å; C118-C122 PolarHBondContact O-N 3.09Å; C122-Y124 PolarHBondContact O-N 2.97Å; C122-C125 PolarHBondContact O-N 2.68Å
123	I	36.9	Very low	35.4	Very low	49 Å²	49	79.9 Å²	79.9	25%	0.251	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-44.8	-28.1	178.1	-74.9	164.3	0	0	0	111.8	A95 T121 C125 N129	A95-I123 HydrophobicContact CB-CD1 3.4Å; T121-I123 PolarHBondContact O-N 3.48Å; I123-C125 PolarHBondContact O-N 3Å; I123-N129 VanDerWaalsContact C-ND2 3.32Å; I123-N129 WeakPolarHBondContact CG2-ND2 3.26Å; I123-N129 PolarHBondContact O-ND2 3.15Å
124	Y	33.2	Very low	34.9	Very low	83 Å²	83	82.2 Å²	82.2	33%	0.325	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-68.6	-22.1	178.4	-64.2	-78.3	0	0	0	116.6	C122 Q126 W131	C122-Y124 PolarHBondContact O-N 2.97Å; Y124-Q126 VanDerWaalsContact C-N 3.33Å; Y124-W131 HydrophobicContact CD1-CB 4.01Å; Y124-W131 HydrophobicContact CE1-CB 3.72Å; Y124-W131 AromaticContact CE1-CD2 3.85Å; Y124-W131 HydrophobicContact CE1-CD2 3.85Å; Y124-W131 AromaticContact CE1-CE3 3.43Å; Y124-W131 HydrophobicContact CE1-CE3 3.43Å; Y124-W131 VanDerWaalsContact CE1-CE3 3.43Å; Y124-W131 HydrophobicContact CE1-CG 4.03Å; Y124-W131 HydrophobicContact CE1-CZ3 4.19Å; Y124-W131 AromaticContact CZ-CE3 3.74Å; Y124-W131 WeakPolarHBondContact OH-CZ3 3.45Å
125	C	30.7	Very low	34.4	Very low	44 Å²	44	85.3 Å²	85.3	30%	0.297	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-89.8	1.4	-178.4	-119.9	0	0	0	0	113.9	C108 Y119 C122 I123 P127	C108-C125 HydrophobicContact CB-CB 3.37Å; C108-C125 WeakPolarHBondContact CB-SG 3.39Å; Y119-C125 HydrophobicContact CD1-CB 4.39Å; Y119-C125 HydrophobicContact CE1-CB 4.18Å; C122-C125 PolarHBondContact O-N 2.68Å; I123-C125 PolarHBondContact O-N 3Å; C125-P127 WeakPolarHBondContact O-CD 2.87Å
126	Q	34.4	Very low	34	Very low	112 Å²	112	82.8 Å²	82.8	52%	0.523	41%	0.408	S	S	.	.	S	Bend	trans	-68.5	126.4	172	-63.4	-150.1	-12.2	0	0	108.4	Y124 Y128 N129	Y124-Q126 VanDerWaalsContact C-N 3.33Å; Q126-Y128 PolarHBondContact O-N 3.46Å; Q126-N129 HydrophobicContact CB-CB 4.24Å; Q126-N129 PolarHBondContact O-N 2.71Å
127	P	33.1	Very low	33.4	Very low	116 Å²	116	82.3 Å²	82.3	75%	0.753	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.1	-179.7	-14.1	17.4	0	0	0	113.8	C125	C125-P127 WeakPolarHBondContact O-CD 2.87Å
128	Y	36.9	Very low	33.1	Very low	180 Å²	180	86.4 Å²	86.4	71%	0.706	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	8.3	-173.1	-50.2	-67	0	0	0	113.4	Q126 P130	Q126-Y128 PolarHBondContact O-N 3.46Å; Y128-P130 VanDerWaalsContact O-CD 3.32Å; Y128-P130 WeakPolarHBondContact O-CD 3.07Å
129	N	33.7	Very low	32.8	Very low	29 Å²	29	89 Å²	89	16%	0.155	44%	0.435	C	S	.	.			trans	-89.2	115.9	177.8	-171.7	-5.3	0	0	0	112.1	I123 Q126 W131	I123-N129 VanDerWaalsContact C-ND2 3.32Å; I123-N129 WeakPolarHBondContact CG2-ND2 3.26Å; I123-N129 PolarHBondContact O-ND2 3.15Å; Q126-N129 HydrophobicContact CB-CB 4.24Å; Q126-N129 PolarHBondContact O-N 2.71Å; N129-W131 PolarHBondContact O-N 3.36Å; N129-W131 PolarHBondContact OD1-N 3.35Å; N129-W131 VanDerWaalsContact OD1-N 3.09Å
130	P	33.7	Very low	32.8	Very low	65 Å²	65	91.5 Å²	91.5	42%	0.422	45%	0.454	S	S	.	.			trans	-81.3	13.3	-179.2	33.4	-35.5	0	0	0	114.5	Y128 P132 C133	Y128-P130 VanDerWaalsContact O-CD 3.32Å; Y128-P130 WeakPolarHBondContact O-CD 3.07Å; P130-P132 VanDerWaalsContact C-N 3.31Å; P130-P132 VanDerWaalsContact O-CD 3.27Å; P130-P132 WeakPolarHBondContact O-CD 3.15Å; P130-P132 VanDerWaalsContact O-N 3.15Å; P130-C133 VanDerWaalsContact O-CB 3.28Å; P130-C133 WeakPolarHBondContact O-CB 3.46Å; P130-C133 PolarHBondContact O-N 3.49Å; P130-C133 PolarHBondContact O-SG 3.4Å; P130-C133 VanDerWaalsContact O-SG 3.33Å
131	W	30.9	Very low	32.8	Very low	101 Å²	101	86 Å²	86	38%	0.383	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8	-178.4	-124.1	79.1	0	0	0	118.3	Y124 N129 C133	Y124-W131 HydrophobicContact CD1-CB 4.01Å; Y124-W131 HydrophobicContact CE1-CB 3.72Å; Y124-W131 AromaticContact CE1-CD2 3.85Å; Y124-W131 HydrophobicContact CE1-CD2 3.85Å; Y124-W131 AromaticContact CE1-CE3 3.43Å; Y124-W131 HydrophobicContact CE1-CE3 3.43Å; Y124-W131 VanDerWaalsContact CE1-CE3 3.43Å; Y124-W131 HydrophobicContact CE1-CG 4.03Å; Y124-W131 HydrophobicContact CE1-CZ3 4.19Å; Y124-W131 AromaticContact CZ-CE3 3.74Å; Y124-W131 WeakPolarHBondContact OH-CZ3 3.45Å; N129-W131 PolarHBondContact O-N 3.36Å; N129-W131 PolarHBondContact OD1-N 3.35Å; N129-W131 VanDerWaalsContact OD1-N 3.09Å; W131-C133 PolarHBondContact O-N 3.25Å
132	P	28.8	Very low	33.2	Very low	52 Å²	52	91.1 Å²	91.1	34%	0.338	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-23.4	165.4	-5.3	18.8	0	0	0	111.3	P130 Y134 K135 C136 C148	P130-P132 VanDerWaalsContact C-N 3.31Å; P130-P132 VanDerWaalsContact O-CD 3.27Å; P130-P132 WeakPolarHBondContact O-CD 3.15Å; P130-P132 VanDerWaalsContact O-N 3.15Å; P132-Y134 PolarHBondContact O-N 2.92Å; P132-K135 PolarHBondContact O-N 3.07Å; P132-C136 VanDerWaalsContact C-SG 3.52Å; P132-C136 WeakPolarHBondContact O-CB 3.23Å; P132-C136 PolarHBondContact O-N 2.93Å; P132-C136 PolarHBondContact O-SG 2.66Å; P132-C148 VanDerWaalsContact CB-SG 3.58Å
133	C	27.1	Very low	33.2	Very low	40 Å²	40	96.8 Å²	96.8	27%	0.27	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-39.4	-173.4	-69.1	0	0	0	0	115.3	P130 W131 C136 A137 C148	P130-C133 VanDerWaalsContact O-CB 3.28Å; P130-C133 WeakPolarHBondContact O-CB 3.46Å; P130-C133 PolarHBondContact O-N 3.49Å; P130-C133 PolarHBondContact O-SG 3.4Å; P130-C133 VanDerWaalsContact O-SG 3.33Å; W131-C133 PolarHBondContact O-N 3.25Å; C133-C136 CarbonylContact O-C 3.6Å; C133-C136 PolarHBondContact O-N 3.14Å; C133-A137 PolarHBondContact O-N 3.1Å; C133-C148 WeakPolarHBondContact SG-CB 3.42Å
134	Y	30.2	Very low	33.2	Very low	168 Å²	168	95 Å²	95	66%	0.659	47%	0.471	S	S	*	.	H	α-helix	trans	-72.8	-34.8	-175.9	-161.8	-88.3	0	0	0	112.2	P132 Y138	P132-Y134 PolarHBondContact O-N 2.92Å; Y134-Y138 HydrophobicContact CE1-CE2 4.47Å
135	K	30.3	Very low	33.4	Very low	150 Å²	150	97.8 Å²	97.8	65%	0.652	49%	0.485	S	S	*	.	H	α-helix	trans	-72.4	-35.1	166.9	-94	-171.7	175.7	-177.2	0	111.5	P132 A137 Y138 D139	P132-K135 PolarHBondContact O-N 3.07Å; K135-A137 PolarHBondContact O-N 3.16Å; K135-Y138 CarbonylContact O-C 3.56Å; K135-Y138 PolarHBondContact O-N 3.15Å; K135-D139 WeakPolarHBondContact O-CB 3.23Å; K135-D139 PolarHBondContact O-N 3.13Å
136	C	29.8	Very low	33.8	Very low	23 Å²	23	102.3 Å²	102.3	16%	0.155	50%	0.501	C	S	.	.	H	α-helix	trans	-63.5	-21.4	175.7	-63.6	0	0	0	0	114	P132 C133 Y138 C144 C148	P132-C136 VanDerWaalsContact C-SG 3.52Å; P132-C136 WeakPolarHBondContact O-CB 3.23Å; P132-C136 PolarHBondContact O-N 2.93Å; P132-C136 PolarHBondContact O-SG 2.66Å; C133-C136 CarbonylContact O-C 3.6Å; C133-C136 PolarHBondContact O-N 3.14Å; C136-Y138 PolarHBondContact O-N 2.83Å; C136-C144 VanDerWaalsContact CA-SG 3.54Å; C136-C144 HydrophobicContact CB-CB 3.61Å; C136-C144 WeakPolarHBondContact CB-SG 3.11Å; C136-C144 VanDerWaalsContact SG-CA 3.54Å; C136-C144 WeakPolarHBondContact SG-CB 3.08Å; C136-C144 CovalentContact SG-SG 2.02Å; C136-C144 PolarHBondContact SG-SG 3.31Å; C136-C148 VanDerWaalsContact SG-SG 3.66Å
137	A	28.9	Very low	33.9	Very low	77 Å²	77	104.1 Å²	104.1	64%	0.636	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.1	170.5	0	0	0	0	0	112.2	C133 K135	C133-A137 PolarHBondContact O-N 3.1Å; K135-A137 PolarHBondContact O-N 3.16Å
138	Y	31.9	Very low	33.9	Very low	191 Å²	191	99.7 Å²	99.7	75%	0.749	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-25.3	177.6	-61.1	-78.8	0	0	0	113	Y134 K135 C136	Y134-Y138 HydrophobicContact CE1-CE2 4.47Å; K135-Y138 CarbonylContact O-C 3.56Å; K135-Y138 PolarHBondContact O-N 3.15Å; C136-Y138 PolarHBondContact O-N 2.83Å
139	D	32.2	Very low	33.6	Very low	86 Å²	86	94 Å²	94	46%	0.46	48%	0.475	S	S	.	.			trans	-98.6	103.7	-176.8	-163.4	-8.8	0	0	0	110.9	K135 S141	K135-D139 WeakPolarHBondContact O-CB 3.23Å; K135-D139 PolarHBondContact O-N 3.13Å; D139-S141 PolarHBondContact O-N 3.15Å
140	N	37	Very low	33.6	Very low	145 Å²	145	97.9 Å²	97.9	78%	0.775	50%	0.5	S	S	*	.			trans	-74.1	19.5	-176.5	-109	-23.2	0	0	0	114
141	S	37.5	Very low	33.7	Very low	37 Å²	37	102.8 Å²	102.8	26%	0.259	51%	0.51	S	S	.	.			trans	-62.4	147.1	-174.9	81.9	0	0	0	0	112.8	D139 F143 C144 K145	D139-S141 PolarHBondContact O-N 3.15Å; S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 PolarHBondContact O-N 3.19Å; S141-C144 VanDerWaalsContact O-CB 3.3Å; S141-C144 WeakPolarHBondContact O-CB 3.47Å; S141-C144 PolarHBondContact O-N 3.14Å; S141-C144 WeakPolarHBondContact OG-CB 2.82Å; S141-C144 PolarHBondContact OG-N 2.89Å; S141-C144 VanDerWaalsContact OG-N 3.17Å; S141-C144 PolarHBondContact OG-SG 2.79Å; S141-C144 VanDerWaalsContact OG-SG 3.37Å; S141-K145 PolarHBondContact O-N 3.23Å
142	Q	42.8	Very low	33.9	Very low	150 Å²	150	101.3 Å²	101.3	70%	0.701	51%	0.513	S	S	*	.	H	α-helix	trans	-62.5	-34.5	175	-85	-127.7	-7.4	0	0	112.4	C144 K145 Q146	Q142-C144 VanDerWaalsContact C-N 3.3Å; Q142-C144 PolarHBondContact O-N 3.32Å; Q142-K145 PolarHBondContact O-N 2.75Å; Q142-Q146 PolarHBondContact O-N 3.44Å
143	F	37.5	Very low	34.2	Very low	134 Å²	134	101.9 Å²	101.9	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-57.9	-44.9	174.8	-178.5	-94.8	0	0	0	111.1	S141 Q146 K147	S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 PolarHBondContact O-N 3.19Å; F143-Q146 PolarHBondContact O-N 3.45Å; F143-K147 HydrophobicContact CE2-CG 4.32Å; F143-K147 HydrophobicContact CZ-CG 4.26Å; F143-K147 PolarHBondContact O-N 2.83Å
144	C	35.6	Very low	34.4	Very low	13 Å²	13	103.5 Å²	103.5	9%	0.088	53%	0.528	C	S	.	.	H	α-helix	trans	-57.9	-48.6	173.9	-86.4	0	0	0	0	112.3	C136 S141 Q142 Q146 K147 C148 G149	C136-C144 VanDerWaalsContact CA-SG 3.54Å; C136-C144 HydrophobicContact CB-CB 3.61Å; C136-C144 WeakPolarHBondContact CB-SG 3.11Å; C136-C144 VanDerWaalsContact SG-CA 3.54Å; C136-C144 WeakPolarHBondContact SG-CB 3.08Å; C136-C144 CovalentContact SG-SG 2.02Å; C136-C144 PolarHBondContact SG-SG 3.31Å; S141-C144 VanDerWaalsContact O-CB 3.3Å; S141-C144 WeakPolarHBondContact O-CB 3.47Å; S141-C144 PolarHBondContact O-N 3.14Å; S141-C144 WeakPolarHBondContact OG-CB 2.82Å; S141-C144 PolarHBondContact OG-N 2.89Å; S141-C144 VanDerWaalsContact OG-N 3.17Å; S141-C144 PolarHBondContact OG-SG 2.79Å; S141-C144 VanDerWaalsContact OG-SG 3.37Å; Q142-C144 VanDerWaalsContact C-N 3.3Å; Q142-C144 PolarHBondContact O-N 3.32Å; C144-Q146 VanDerWaalsContact C-N 3.33Å; C144-Q146 PolarHBondContact O-N 2.95Å; C144-K147 PolarHBondContact O-N 2.85Å; C144-C148 WeakPolarHBondContact O-CA 3.17Å; C144-C148 WeakPolarHBondContact O-CB 3.15Å; C144-C148 PolarHBondContact O-N 2.97Å; C144-G149 PolarHBondContact O-N 3.16Å
145	K	38.9	Very low	34.5	Very low	140 Å²	140	98.3 Å²	98.3	61%	0.609	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-41.4	178.8	-73	-176.9	179.9	177.7	0	112.7	S141 Q142 G149	S141-K145 PolarHBondContact O-N 3.23Å; Q142-K145 PolarHBondContact O-N 2.75Å; K145-G149 WeakPolarHBondContact O-CA 3.49Å; K145-G149 PolarHBondContact O-N 3.03Å; K145-G149 VanDerWaalsContact O-N 3.15Å
146	Q	39.1	Very low	34.6	Very low	139 Å²	139	97 Å²	97	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-72.6	-40.1	-177.9	-78	-176.7	-5.6	0	0	113.5	Q142 F143 C144	Q142-Q146 PolarHBondContact O-N 3.44Å; F143-Q146 PolarHBondContact O-N 3.45Å; C144-Q146 VanDerWaalsContact C-N 3.33Å; C144-Q146 PolarHBondContact O-N 2.95Å
147	K	36	Very low	34.6	Very low	150 Å²	150	97.9 Å²	97.9	65%	0.652	52%	0.518	S	S	*	.	H	α-helix	trans	-95.6	-30.9	-174.3	-70.5	-71.6	-176.4	176.1	0	114	F143 C144	F143-K147 HydrophobicContact CE2-CG 4.32Å; F143-K147 HydrophobicContact CZ-CG 4.26Å; F143-K147 PolarHBondContact O-N 2.83Å; C144-K147 PolarHBondContact O-N 2.85Å
148	C	33.1	Very low	34.6	Very low	24 Å²	24	100.4 Å²	100.4	16%	0.162	51%	0.512	C	S	.	.	H	α-helix	trans	-103.5	-18.7	-178.2	-62	0	0	0	0	113.5	P132 C133 C136 C144 V150	P132-C148 VanDerWaalsContact CB-SG 3.58Å; C133-C148 WeakPolarHBondContact SG-CB 3.42Å; C136-C148 VanDerWaalsContact SG-SG 3.66Å; C144-C148 WeakPolarHBondContact O-CA 3.17Å; C144-C148 WeakPolarHBondContact O-CB 3.15Å; C144-C148 PolarHBondContact O-N 2.97Å; C148-V150 PolarHBondContact O-N 3.28Å
149	G	29.9	Very low	34.4	Very low	60 Å²	60	97.1 Å²	97.1	62%	0.619	51%	0.508	S	S	*	.	S	Bend	trans	-67.6	-19.5	177.2	0	0	0	0	0	113.4	C144 K145	C144-G149 PolarHBondContact O-N 3.16Å; K145-G149 WeakPolarHBondContact O-CA 3.49Å; K145-G149 PolarHBondContact O-N 3.03Å; K145-G149 VanDerWaalsContact O-N 3.15Å
150	V	35.3	Very low	34	Very low	110 Å²	110	103.8 Å²	103.8	67%	0.667	53%	0.527	S	S	*	.	S	Bend	trans	-98.2	105.8	-178.7	-170.8	0	0	0	0	109.1	C148	C148-V150 PolarHBondContact O-N 3.28Å
151	R	34.5	Very low	33.6	Very low	169 Å²	169	100.3 Å²	100.3	64%	0.638	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.9	174.9	-72.4	179.2	-179.4	170.8	-2	109.7	W202	R151-W202 HydrophobicContact CB-CH2 4.4Å; R151-W202 HydrophobicContact CG-CH2 3.88Å; R151-W202 HydrophobicContact CG-CZ2 4.09Å
152	P	35.8	Very low	33.1	Very low	69 Å²	69	102.5 Å²	102.5	45%	0.448	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63.4	137.8	171	25.5	-30	0	0	0	109.2	W202	P152-W202 HydrophobicContact CG-CZ3 4.14Å
153	P	34.7	Very low	32.5	Very low	65 Å²	65	99.9 Å²	99.9	42%	0.422	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-62.5	142.2	173.1	25.5	-31.8	0	0	0	109.3	S155 Q156	P153-S155 PolarHBondContact O-N 3.07Å; P153-Q156 HydrophobicContact CG-CG 3.94Å; P153-Q156 PolarHBondContact O-N 2.86Å
154	C	31.4	Very low	32.1	Very low	74 Å²	74	99.1 Å²	99.1	50%	0.5	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-57.5	-18.5	-179.6	-66.8	0	0	0	0	113.4	Q156	C154-Q156 PolarHBondContact O-N 2.85Å
155	S	32.6	Very low	31.5	Very low	59 Å²	59	103.9 Å²	103.9	41%	0.413	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-70.9	-1.3	170.8	56.4	0	0	0	0	114.1	P153 Y158	P153-S155 PolarHBondContact O-N 3.07Å; S155-Y158 WeakPolarHBondContact O-CD2 3.28Å; S155-Y158 WeakPolarHBondContact O-CE2 3.07Å
156	Q	31.9	Very low	30.9	Very low	122 Å²	122	102.1 Å²	102.1	57%	0.57	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-105.5	0.9	176.6	-72.3	178	-0.4	0	0	113.3	P153 C154 Y158	P153-Q156 HydrophobicContact CG-CG 3.94Å; P153-Q156 PolarHBondContact O-N 2.86Å; C154-Q156 PolarHBondContact O-N 2.85Å; Q156-Y158 PolarHBondContact O-N 3.03Å
157	C	30.8	Very low	30.2	Very low	41 Å²	41	98.9 Å²	98.9	28%	0.277	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	27.4	172.2	-90.2	0	0	0	0	113.1	D159 C167	C157-D159 VanDerWaalsContact C-N 3.31Å; C157-D159 PolarHBondContact O-N 2.03Å; C157-C167 HydrophobicContact CB-CB 3.7Å; C157-C167 WeakPolarHBondContact CB-SG 3.5Å; C157-C167 WeakPolarHBondContact SG-CB 3.49Å; C157-C167 CovalentContact SG-SG 2.08Å; C157-C167 PolarHBondContact SG-SG 2.79Å
158	Y	27.7	Very low	29.7	Very low	130 Å²	130	93 Å²	93	51%	0.51	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.6	-174.8	-82.4	-72.9	0	0	0	113.4	S155 Q156 W160	S155-Y158 WeakPolarHBondContact O-CD2 3.28Å; S155-Y158 WeakPolarHBondContact O-CE2 3.07Å; Q156-Y158 PolarHBondContact O-N 3.03Å; Y158-W160 PolarHBondContact O-N 2.04Å
159	D	27.1	Very low	29.3	Very low	122 Å²	122	96.2 Å²	96.2	65%	0.652	50%	0.5	S	S	*	.	S	Bend	trans	-86.8	108.4	-174.1	-67.2	-30.3	0	0	0	110.6	C157 D161	C157-D159 VanDerWaalsContact C-N 3.31Å; C157-D159 PolarHBondContact O-N 2.03Å; D159-D161 PolarHBondContact O-N 3.21Å
160	W	25	Very low	29	Very low	227 Å²	227	96.9 Å²	96.9	86%	0.86	49%	0.492	S	S	*	.			trans	-53.2	97	169.8	-165.5	77.1	0	0	0	109.4	Y158 P162	Y158-W160 PolarHBondContact O-N 2.04Å; W160-P162 HydrophobicContact CE3-CB 4.44Å; W160-P162 HydrophobicContact CE3-CG 4.26Å; W160-P162 HydrophobicContact CH2-CB 4.32Å; W160-P162 HydrophobicContact CZ3-CB 4.17Å; W160-P162 HydrophobicContact CZ3-CG 4.09Å; W160-P162 VanDerWaalsContact O-CD 3.3Å; W160-P162 WeakPolarHBondContact O-CD 3.27Å
161	D	29.3	Very low	28.5	Very low	72 Å²	72	95.8 Å²	95.8	39%	0.385	49%	0.488	S	S	.	.			trans	-95.7	104.3	166.8	-174.9	-19.8	0	0	0	107.3	D159 D163 Y164	D159-D161 PolarHBondContact O-N 3.21Å; D161-D163 PolarHBondContact O-N 3.09Å; D161-D163 VanDerWaalsContact OD1-CA 3.29Å; D161-D163 WeakPolarHBondContact OD1-CA 3.13Å; D161-D163 VanDerWaalsContact OD1-CB 3.27Å; D161-D163 WeakPolarHBondContact OD1-CB 2.95Å; D161-D163 PolarHBondContact OD1-N 2.07Å; D161-Y164 VanDerWaalsContact CG-N 3.33Å; D161-Y164 CarbonylContact O-C 3.38Å; D161-Y164 PolarHBondContact O-N 2.04Å; D161-Y164 VanDerWaalsContact O-N 3.16Å; D161-Y164 VanDerWaalsContact O-O 3.07Å; D161-Y164 PolarHBondContact OD1-N 3.41Å; D161-Y164 WeakPolarHBondContact OD2-CD2 3.03Å
162	P	26.2	Very low	28	Very low	83 Å²	83	90.5 Å²	90.5	54%	0.539	47%	0.472	S	S	.	.	S	Bend	trans	-64.3	-17.8	177.2	26.4	-32.6	0	0	0	112.6	W160	W160-P162 HydrophobicContact CE3-CB 4.44Å; W160-P162 HydrophobicContact CE3-CG 4.26Å; W160-P162 HydrophobicContact CH2-CB 4.32Å; W160-P162 HydrophobicContact CZ3-CB 4.17Å; W160-P162 HydrophobicContact CZ3-CG 4.09Å; W160-P162 VanDerWaalsContact O-CD 3.3Å; W160-P162 WeakPolarHBondContact O-CD 3.27Å
163	D	30.9	Very low	27.6	Very low	94 Å²	94	91 Å²	91	50%	0.503	48%	0.475	S	S	.	.	S	Bend	trans	-89.5	-24.7	175.6	-60.8	-37.4	0	0	0	111.9	D161 V165	D161-D163 PolarHBondContact O-N 3.09Å; D161-D163 VanDerWaalsContact OD1-CA 3.29Å; D161-D163 WeakPolarHBondContact OD1-CA 3.13Å; D161-D163 VanDerWaalsContact OD1-CB 3.27Å; D161-D163 WeakPolarHBondContact OD1-CB 2.95Å; D161-D163 PolarHBondContact OD1-N 2.07Å; D163-V165 PolarHBondContact O-N 3.17Å
164	Y	27.7	Very low	27.2	Very low	119 Å²	119	93.3 Å²	93.3	47%	0.467	48%	0.484	S	S	.	.			trans	-96.4	90	167.9	-89.8	-104.5	0	0	0	111.4	D161 R166	D161-Y164 VanDerWaalsContact CG-N 3.33Å; D161-Y164 CarbonylContact O-C 3.38Å; D161-Y164 PolarHBondContact O-N 2.04Å; D161-Y164 VanDerWaalsContact O-N 3.16Å; D161-Y164 VanDerWaalsContact O-O 3.07Å; D161-Y164 PolarHBondContact OD1-N 3.41Å; D161-Y164 WeakPolarHBondContact OD2-CD2 3.03Å; Y164-R166 PolarHBondContact O-N 3.19Å
165	V	24.1	Very low	27.1	Very low	112 Å²	112	97.4 Å²	97.4	68%	0.679	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	11.9	169.1	175.7	0	0	0	0	114.1	D163 V198	D163-V165 PolarHBondContact O-N 3.17Å; V165-V198 HydrophobicContact CG1-CG1 4.1Å; V165-V198 WeakPolarHBondContact O-CG1 3.5Å
166	R	24.7	Very low	27.1	Very low	104 Å²	104	101.6 Å²	101.6	39%	0.392	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-4.2	-152.1	-86.2	173.1	177	-174.2	15.2	118	Y164 L168 V198 W199 G200 S201	Y164-R166 PolarHBondContact O-N 3.19Å; R166-L168 PolarHBondContact O-N 3Å; R166-V198 HydrophobicContact CG-CG1 4.41Å; R166-W199 PolarHBondContact NE-O 3.28Å; R166-W199 PolarHBondContact NH2-O 3.47Å; R166-G200 VanDerWaalsContact CD-C 3.4Å; R166-G200 WeakPolarHBondContact CD-O 3.48Å; R166-G200 VanDerWaalsContact CZ-C 3.42Å; R166-G200 VanDerWaalsContact CZ-O 3.28Å; R166-G200 VanDerWaalsContact NE-C 3.33Å; R166-G200 PolarHBondContact NE-O 2.92Å; R166-G200 VanDerWaalsContact NH1-C 3.26Å; R166-G200 PolarHBondContact NH1-O 2.8Å; R166-S201 WeakPolarHBondContact O-CB 3.42Å; R166-S201 PolarHBondContact O-OG 2.98Å
167	C	25.5	Very low	27	Very low	70 Å²	70	104.4 Å²	104.4	47%	0.473	52%	0.515	S	S	.	.			trans	-82	83.8	162.2	-96.1	0	0	0	0	109.8	C157 R169	C157-C167 HydrophobicContact CB-CB 3.7Å; C157-C167 WeakPolarHBondContact CB-SG 3.5Å; C157-C167 WeakPolarHBondContact SG-CB 3.49Å; C157-C167 CovalentContact SG-SG 2.08Å; C157-C167 PolarHBondContact SG-SG 2.79Å; C167-R169 VanDerWaalsContact C-N 3.26Å; C167-R169 PolarHBondContact O-N 3.21Å
168	L	26.3	Very low	27	Very low	28 Å²	28	111.5 Å²	111.5	15%	0.147	54%	0.541	C	S	.	.			trans	-70.6	76.2	172.4	-81.6	164.1	0	0	0	111.8	R166 V170 N195 V198	R166-L168 PolarHBondContact O-N 3Å; L168-V170 HydrophobicContact CD2-CG2 4.38Å; L168-N195 WeakPolarHBondContact CD1-O 3.04Å; L168-N195 HydrophobicContact CD2-CB 3.57Å; L168-N195 WeakPolarHBondContact CD2-O 3.08Å; L168-V198 HydrophobicContact CD1-CB 3.85Å; L168-V198 HydrophobicContact CD1-CG1 4.23Å; L168-V198 HydrophobicContact CD2-CB 3.87Å; L168-V198 HydrophobicContact CD2-CG1 4.29Å; L168-V198 HydrophobicContact CD2-CG2 4.01Å; L168-V198 HydrophobicContact CG-CB 3.98Å; L168-V198 HydrophobicContact CG-CG1 4.09Å
169	R	23.2	Very low	27.3	Very low	91 Å²	91	115.5 Å²	115.5	34%	0.343	56%	0.557	S	S	.	*			trans	-118	89.2	139.3	-91.7	-175.3	175.3	-171.3	-1.1	105.3	C167 C171	C167-R169 VanDerWaalsContact C-N 3.26Å; C167-R169 PolarHBondContact O-N 3.21Å; R169-C171 PolarHBondContact O-N 3.02Å
170	V	24.7	Very low	27.4	Very low	74 Å²	74	112.4 Å²	112.4	45%	0.448	55%	0.545	S	S	.	.			trans	-70.9	80.9	156.8	-163.7	0	0	0	0	104.5	L168 I172	L168-V170 HydrophobicContact CD2-CG2 4.38Å; V170-I172 HydrophobicContact CB-CG1 4.35Å; V170-I172 HydrophobicContact CG1-CD1 4.37Å; V170-I172 HydrophobicContact CG1-CG1 3.55Å; V170-I172 PolarHBondContact O-N 3.26Å
171	C	24.8	Very low	27.5	Very low	87 Å²	87	107.1 Å²	107.1	59%	0.588	54%	0.539	S	S	*	.			trans	-65.4	96.5	158.4	-66.7	0	0	0	0	103.5	R169 P173	R169-C171 PolarHBondContact O-N 3.02Å; C171-P173 WeakPolarHBondContact O-CD 3.25Å
172	I	24.4	Very low	27.5	Very low	58 Å²	58	111 Å²	111	30%	0.297	56%	0.555	S	S	.	*			trans	-75.3	108.1	172.3	-60.2	156.1	0	0	0	104.4	V170 D174 Y239 L242	V170-I172 HydrophobicContact CB-CG1 4.35Å; V170-I172 HydrophobicContact CG1-CD1 4.37Å; V170-I172 HydrophobicContact CG1-CG1 3.55Å; V170-I172 PolarHBondContact O-N 3.26Å; I172-D174 PolarHBondContact O-N 3.08Å; I172-D174 VanDerWaalsContact O-N 3.15Å; I172-Y239 HydrophobicContact CB-CE1 4.25Å; I172-Y239 HydrophobicContact CD1-CD1 3.24Å; I172-Y239 HydrophobicContact CD1-CE1 3.36Å; I172-Y239 HydrophobicContact CD1-CG 4.28Å; I172-Y239 HydrophobicContact CG1-CD1 4.16Å; I172-Y239 HydrophobicContact CG1-CE1 3.75Å; I172-Y239 HydrophobicContact CG2-CD1 4.41Å; I172-Y239 HydrophobicContact CG2-CE1 3.51Å; I172-Y239 WeakPolarHBondContact CG2-OH 3.4Å; I172-L242 HydrophobicContact CD1-CD1 3.55Å
173	P	25.8	Very low	27.6	Very low	80 Å²	80	115.1 Å²	115.1	52%	0.519	56%	0.561	S	S	.	*			trans	-61	119.4	165.6	25.8	-31.8	0	0	0	106.8	C171 H175	C171-P173 WeakPolarHBondContact O-CD 3.25Å; P173-H175 VanDerWaalsContact C-N 3.33Å; P173-H175 PolarHBondContact O-CD2 3.15Å; P173-H175 PolarHBondContact O-N 2.68Å
174	D	27.5	Very low	27.3	Very low	113 Å²	113	112.8 Å²	112.8	60%	0.604	56%	0.559	S	S	*	*			trans	-66.4	95.1	177.3	-169.6	-0.7	0	0	0	108.6	I172 H176	I172-D174 PolarHBondContact O-N 3.08Å; I172-D174 VanDerWaalsContact O-N 3.15Å; D174-H176 PolarHBondContact O-N 3.49Å; D174-H176 VanDerWaalsContact O-N 3.14Å; D174-H176 WeakPolarHBondContact OD1-CB 3.49Å; D174-H176 IonicContact OD1-CD2 3.63Å; D174-H176 IonicContact OD1-CG 2.66Å; D174-H176 PolarHBondContact OD1-N 2.82Å
175	H	29.5	Very low	27.2	Very low	160 Å²	160	112.2 Å²	112.2	74%	0.741	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	8	-179.5	-79.1	-65.5	0	0	0	113.1	P173 Y177	P173-H175 VanDerWaalsContact C-N 3.33Å; P173-H175 PolarHBondContact O-CD2 3.15Å; P173-H175 PolarHBondContact O-N 2.68Å; H175-Y177 VanDerWaalsContact C-N 3.33Å; H175-Y177 PolarHBondContact O-N 2.88Å
176	H	31.6	Very low	27.3	Very low	146 Å²	146	115.6 Å²	115.6	68%	0.676	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-4.3	-174.7	-86.7	-71.9	0	0	0	116.7	D174	D174-H176 PolarHBondContact O-N 3.49Å; D174-H176 VanDerWaalsContact O-N 3.14Å; D174-H176 WeakPolarHBondContact OD1-CB 3.49Å; D174-H176 IonicContact OD1-CD2 3.63Å; D174-H176 IonicContact OD1-CG 2.66Å; D174-H176 PolarHBondContact OD1-N 2.82Å
177	Y	30.1	Very low	27.4	Very low	182 Å²	182	115.5 Å²	115.5	71%	0.714	58%	0.579	S	S	*	*			trans	-110.5	83.5	174.6	-73.4	-85.5	0	0	0	112	H175 Y179	H175-Y177 VanDerWaalsContact C-N 3.33Å; H175-Y177 PolarHBondContact O-N 2.88Å; Y177-Y179 PolarHBondContact O-N 3.47Å
178	K	30.5	Very low	27.5	Very low	189 Å²	189	121.1 Å²	121.1	82%	0.822	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	4.5	169.2	-134.8	177.5	-174.5	-178.5	0	114.3
179	Y	34.4	Very low	27.8	Very low	214 Å²	214	124.4 Å²	124.4	84%	0.839	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	24.1	-169.6	-75.3	-74.7	0	0	0	115.1	Y177	Y177-Y179 PolarHBondContact O-N 3.47Å
180	S	28.9	Very low	28	Very low	58 Å²	58	128.8 Å²	128.8	41%	0.406	64%	0.642	S	S	.	*			trans	-140.1	108.6	168.6	-137.5	0	0	0	0	113.3	H182	S180-H182 PolarHBondContact O-N 3.18Å
181	P	28.6	Very low	28.3	Very low	115 Å²	115	131 Å²	131	75%	0.747	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	17.3	-175	-16.9	31.3	0	0	0	116.8
182	H	29	Very low	28.7	Very low	154 Å²	154	129.6 Å²	129.6	71%	0.713	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	10.4	-163.4	-69.8	-43.6	0	0	0	117.6	S180 G184	S180-H182 PolarHBondContact O-N 3.18Å; H182-G184 PolarHBondContact O-N 3.21Å
183	Y	27	Very low	29	Very low	169 Å²	169	128.6 Å²	128.6	66%	0.663	63%	0.629	S	S	*	*			trans	-100.2	84.4	-178.5	-67.5	-75.1	0	0	0	112	D187	Y183-D187 HydrophobicContact CD1-CB 3.96Å; Y183-D187 WeakPolarHBondContact CD1-OD2 3.38Å; Y183-D187 HydrophobicContact CE1-CB 4.45Å; Y183-D187 WeakPolarHBondContact CE1-OD2 3.22Å
184	G	25.5	Very low	29.3	Very low	45 Å²	45	126.3 Å²	126.3	46%	0.464	61%	0.614	S	S	.	*			trans	-70.2	166.5	165.9	0	0	0	0	0	111.9	H182 Y186 D187	H182-G184 PolarHBondContact O-N 3.21Å; G184-Y186 PolarHBondContact O-N 2.76Å; G184-D187 PolarHBondContact O-N 2.72Å
185	P	25.3	Very low	29.6	Very low	108 Å²	108	122.6 Å²	122.6	70%	0.701	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	15.2	-172.8	26.5	-34.8	0	0	0	115.8
186	Y	26.3	Very low	29.7	Very low	183 Å²	183	115.4 Å²	115.4	72%	0.718	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	0.7	-174.1	-69.4	-74.9	0	0	0	114.6	G184 Q188	G184-Y186 PolarHBondContact O-N 2.76Å; Y186-Q188 PolarHBondContact O-N 3.4Å
187	D	26.9	Very low	29.8	Very low	101 Å²	101	111.5 Å²	111.5	54%	0.54	55%	0.546	S	S	.	.			trans	-84	121.2	-178.9	-117.9	-24.3	0	0	0	112.5	Y183 G184 S189	Y183-D187 HydrophobicContact CD1-CB 3.96Å; Y183-D187 WeakPolarHBondContact CD1-OD2 3.38Å; Y183-D187 HydrophobicContact CE1-CB 4.45Å; Y183-D187 WeakPolarHBondContact CE1-OD2 3.22Å; G184-D187 PolarHBondContact O-N 2.72Å; D187-S189 PolarHBondContact O-N 2.87Å
188	Q	27.7	Very low	30	Very low	189 Å²	189	104.6 Å²	104.6	88%	0.883	52%	0.523	S	S	*	.			trans	-73.6	27.1	-156.4	-61.7	179.4	-18.8	0	0	116.4	Y186 Y190	Y186-Q188 PolarHBondContact O-N 3.4Å; Q188-Y190 PolarHBondContact O-N 2.95Å
189	S	31.7	Very low	29.9	Very low	96 Å²	96	100.2 Å²	100.2	67%	0.671	50%	0.501	S	S	*	.			trans	-80.1	-14.7	-158.7	58.7	0	0	0	0	117.1	D187	D187-S189 PolarHBondContact O-N 2.87Å
190	Y	28.2	Very low	29.6	Very low	183 Å²	183	91.1 Å²	91.1	72%	0.718	47%	0.472	S	S	*	.	S	Bend	trans	-145.4	141.9	173.3	-78.7	-85.3	0	0	0	113.4	Q188	Q188-Y190 PolarHBondContact O-N 2.95Å
191	K	31.1	Very low	29.8	Very low	121 Å²	121	88.5 Å²	88.5	53%	0.526	45%	0.454	S	S	.	.			trans	-60.1	138.1	171.4	-71.9	-178.5	-179.5	176.2	0	109.5	Q193	K191-Q193 PolarHBondContact O-N 2.95Å
192	P	32	Very low	30	Very low	57 Å²	57	88.8 Å²	88.8	37%	0.37	44%	0.441	S	S	.	.			trans	-56.6	135.2	-179	22.7	-32.9	0	0	0	111.3
193	Q	31.4	Very low	30.1	Very low	38 Å²	38	84.3 Å²	84.3	18%	0.178	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.3	179	-67.3	177.8	-18.3	0	0	110.3	K191 L242	K191-Q193 PolarHBondContact O-N 2.95Å; Q193-L242 HydrophobicContact CB-CB 4.03Å; Q193-L242 HydrophobicContact CB-CD2 3.94Å; Q193-L242 HydrophobicContact CB-CG 4.41Å; Q193-L242 HydrophobicContact CG-CB 4.41Å
194	C	31.9	Very low	30.6	Very low	31 Å²	31	77.5 Å²	77.5	21%	0.209	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.2	175.1	-65.7	0	0	0	0	109.9	V196 I243	C194-V196 PolarHBondContact O-N 3.46Å; C194-I243 PolarHBondContact O-N 3.31Å
195	N	34	Very low	31.1	Very low	36 Å²	36	78.4 Å²	78.4	19%	0.193	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.3	169.8	176.6	-6	0	0	0	109.1	L168 D197	L168-N195 WeakPolarHBondContact CD1-O 3.04Å; L168-N195 HydrophobicContact CD2-CB 3.57Å; L168-N195 WeakPolarHBondContact CD2-O 3.08Å; N195-D197 VanDerWaalsContact C-N 3.3Å; N195-D197 PolarHBondContact O-N 2.02Å; N195-D197 WeakPolarHBondContact OD1-CB 3.06Å; N195-D197 PolarHBondContact OD1-N 3.19Å
196	V	32.8	Very low	31.8	Very low	9 Å²	9	75 Å²	75	6%	0.055	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.7	-175.7	-75.3	0	0	0	0	114.7	C194 V198 W199 L219 V223 I243	C194-V196 PolarHBondContact O-N 3.46Å; V196-V198 PolarHBondContact O-N 3.37Å; V196-W199 PolarHBondContact O-NE1 3.44Å; V196-L219 HydrophobicContact CB-CD2 4.46Å; V196-L219 HydrophobicContact CG1-CD2 3.57Å; V196-L219 HydrophobicContact CG1-CG 4.24Å; V196-V223 HydrophobicContact CB-CG2 3.91Å; V196-V223 HydrophobicContact CG2-CG2 3.88Å; V196-I243 HydrophobicContact CB-CD1 4.23Å; V196-I243 HydrophobicContact CG1-CB 4.35Å; V196-I243 HydrophobicContact CG1-CD1 3.39Å; V196-I243 HydrophobicContact CG1-CG1 3.79Å; V196-I243 HydrophobicContact CG2-CD1 3.88Å; V196-I243 HydrophobicContact CG2-CG1 4.06Å
197	D	32.6	Very low	32.5	Very low	64 Å²	64	69.4 Å²	69.4	34%	0.342	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.3	179.2	-62.1	-33.3	0	0	0	112.1	N195 N241	N195-D197 VanDerWaalsContact C-N 3.3Å; N195-D197 PolarHBondContact O-N 2.02Å; N195-D197 WeakPolarHBondContact OD1-CB 3.06Å; N195-D197 PolarHBondContact OD1-N 3.19Å; D197-N241 PolarHBondContact OD2-ND2 3.12Å
198	V	33.5	Very low	33.2	Very low	36 Å²	36	66 Å²	66	22%	0.218	34%	0.335	C	S	.	.			trans	-108.3	68.3	-172.6	-175.2	0	0	0	0	110.1	V165 R166 L168 V196	V165-V198 HydrophobicContact CG1-CG1 4.1Å; V165-V198 WeakPolarHBondContact O-CG1 3.5Å; R166-V198 HydrophobicContact CG-CG1 4.41Å; L168-V198 HydrophobicContact CD1-CB 3.85Å; L168-V198 HydrophobicContact CD1-CG1 4.23Å; L168-V198 HydrophobicContact CD2-CB 3.87Å; L168-V198 HydrophobicContact CD2-CG1 4.29Å; L168-V198 HydrophobicContact CD2-CG2 4.01Å; L168-V198 HydrophobicContact CG-CB 3.98Å; L168-V198 HydrophobicContact CG-CG1 4.09Å; V196-V198 PolarHBondContact O-N 3.37Å
199	W	30	Very low	33.9	Very low	97 Å²	97	63.1 Å²	63.1	37%	0.367	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	144.1	177.3	-83.6	65	0	0	0	113.2	R166 V196 F208 L220	R166-W199 PolarHBondContact NE-O 3.28Å; R166-W199 PolarHBondContact NH2-O 3.47Å; V196-W199 PolarHBondContact O-NE1 3.44Å; W199-F208 HydrophobicContact CH2-CD1 4.11Å; W199-F208 HydrophobicContact CH2-CD2 4.01Å; W199-F208 AromaticContact CH2-CE1 3.62Å; W199-F208 HydrophobicContact CH2-CE1 3.62Å; W199-F208 AromaticContact CH2-CE2 3.51Å; W199-F208 HydrophobicContact CH2-CE2 3.51Å; W199-F208 HydrophobicContact CH2-CG 4.29Å; W199-F208 AromaticContact CH2-CZ 3.32Å; W199-F208 HydrophobicContact CH2-CZ 3.32Å; W199-F208 HydrophobicContact CZ2-CD2 4.26Å; W199-F208 AromaticContact CZ2-CE2 3.82Å; W199-F208 HydrophobicContact CZ2-CE2 3.82Å; W199-F208 HydrophobicContact CZ2-CZ 4.07Å; W199-F208 HydrophobicContact CZ3-CD1 4.31Å; W199-F208 HydrophobicContact CZ3-CE1 4.04Å; W199-F208 HydrophobicContact CZ3-CZ 4.2Å; W199-L220 HydrophobicContact CH2-CD1 4.29Å; W199-L220 HydrophobicContact CH2-CD2 3.29Å; W199-L220 HydrophobicContact CH2-CG 3.8Å; W199-L220 HydrophobicContact CZ2-CD2 3.28Å; W199-L220 HydrophobicContact CZ2-CG 3.86Å; W199-L220 HydrophobicContact CZ3-CD2 4.23Å
200	G	28.2	Very low	34.4	Very low	23 Å²	23	61.7 Å²	61.7	24%	0.237	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	13.6	168.2	0	0	0	0	0	116.1	R166	R166-G200 VanDerWaalsContact CD-C 3.4Å; R166-G200 WeakPolarHBondContact CD-O 3.48Å; R166-G200 VanDerWaalsContact CZ-C 3.42Å; R166-G200 VanDerWaalsContact CZ-O 3.28Å; R166-G200 VanDerWaalsContact NE-C 3.33Å; R166-G200 PolarHBondContact NE-O 2.92Å; R166-G200 VanDerWaalsContact NH1-C 3.26Å; R166-G200 PolarHBondContact NH1-O 2.8Å
201	S	32.8	Very low	35.2	Very low	4 Å²	4	54 Å²	54	3%	0.028	29%	0.293	C	S	.	.			trans	-79.1	152	165.6	74	0	0	0	0	111.7	R166 C203 A204 D205	R166-S201 WeakPolarHBondContact O-CB 3.42Å; R166-S201 PolarHBondContact O-OG 2.98Å; S201-C203 VanDerWaalsContact C-N 3.28Å; S201-C203 PolarHBondContact O-N 3.18Å; S201-A204 PolarHBondContact O-N 3.42Å; S201-A204 VanDerWaalsContact O-N 3.13Å; S201-A204 WeakPolarHBondContact OG-CB 3.35Å; S201-A204 PolarHBondContact OG-N 3.32Å; S201-D205 PolarHBondContact O-N 3.01Å
202	W	32.8	Very low	35.8	Very low	121 Å²	121	50.9 Å²	50.9	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-38.7	177.5	-175.4	40.5	0	0	0	112.7	R151 P152 D205 S206	R151-W202 HydrophobicContact CB-CH2 4.4Å; R151-W202 HydrophobicContact CG-CH2 3.88Å; R151-W202 HydrophobicContact CG-CZ2 4.09Å; P152-W202 HydrophobicContact CG-CZ3 4.14Å; W202-D205 PolarHBondContact O-N 3.22Å; W202-S206 PolarHBondContact O-N 3.02Å
203	C	30.4	Very low	36.3	Very low	60 Å²	60	56.2 Å²	56.2	41%	0.405	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-42.1	174.8	-69.2	0	0	0	0	112	S201 W207	S201-C203 VanDerWaalsContact C-N 3.28Å; S201-C203 PolarHBondContact O-N 3.18Å; C203-W207 WeakPolarHBondContact O-CB 3.44Å; C203-W207 PolarHBondContact O-N 3.26Å; C203-W207 VanDerWaalsContact O-N 3.08Å
204	A	36.9	Very low	36.7	Very low	25 Å²	25	59.5 Å²	59.5	21%	0.207	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-42.5	175.9	0	0	0	0	0	110.8	S201 F208	S201-A204 PolarHBondContact O-N 3.42Å; S201-A204 VanDerWaalsContact O-N 3.13Å; S201-A204 WeakPolarHBondContact OG-CB 3.35Å; S201-A204 PolarHBondContact OG-N 3.32Å; A204-F208 WeakPolarHBondContact O-CA 3.44Å; A204-F208 WeakPolarHBondContact O-CB 3.04Å; A204-F208 PolarHBondContact O-N 3.48Å
205	D	37.5	Very low	37.3	Very low	64 Å²	64	62.7 Å²	62.7	34%	0.342	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-44.3	-178.2	-74.3	-12.1	0	0	0	111.8	S201 W202 Q209	S201-D205 PolarHBondContact O-N 3.01Å; W202-D205 PolarHBondContact O-N 3.22Å; D205-Q209 WeakPolarHBondContact O-CB 3.09Å; D205-Q209 WeakPolarHBondContact O-CG 2.97Å; D205-Q209 PolarHBondContact O-N 3.37Å
206	S	38.6	Very low	37.7	Very low	36 Å²	36	64.6 Å²	64.6	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-68.8	-44	177.6	-106	0	0	0	0	112.9	W202 F208 Q209 G210	W202-S206 PolarHBondContact O-N 3.02Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-Q209 CarbonylContact O-C 3.57Å; S206-Q209 PolarHBondContact O-N 2.93Å; S206-G210 PolarHBondContact O-N 3.09Å
207	W	41.1	Very low	38.2	Very low	67 Å²	67	66 Å²	66	25%	0.254	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-45.6	175.3	170.5	77.9	0	0	0	110.8	C203 Q209 G210 L211 L219 M245	C203-W207 WeakPolarHBondContact O-CB 3.44Å; C203-W207 PolarHBondContact O-N 3.26Å; C203-W207 VanDerWaalsContact O-N 3.08Å; W207-Q209 VanDerWaalsContact C-N 3.3Å; W207-Q209 PolarHBondContact O-N 3.15Å; W207-G210 WeakPolarHBondContact O-CA 3.3Å; W207-G210 PolarHBondContact O-N 3.3Å; W207-L211 HydrophobicContact CD2-CD1 4.45Å; W207-L211 HydrophobicContact CE3-CD1 4.25Å; W207-L211 HydrophobicContact CH2-CD1 3.75Å; W207-L211 HydrophobicContact CZ2-CD1 3.92Å; W207-L211 HydrophobicContact CZ2-CD2 4.02Å; W207-L211 HydrophobicContact CZ2-CG 4.36Å; W207-L211 HydrophobicContact CZ3-CD1 3.91Å; W207-L211 PolarHBondContact O-N 2.95Å; W207-L211 VanDerWaalsContact O-N 3.16Å; W207-L219 HydrophobicContact CH2-CD1 3.71Å; W207-L219 HydrophobicContact CH2-CD2 3.66Å; W207-L219 HydrophobicContact CH2-CG 4.34Å; W207-L219 HydrophobicContact CZ3-CD1 4.48Å; W207-L219 HydrophobicContact CZ3-CD2 3.61Å; W207-M245 HydrophobicContact CB-CE 4.37Å; W207-M245 HydrophobicContact CD2-CE 4.16Å; W207-M245 HydrophobicContact CG-CE 3.68Å
208	F	41.2	Very low	38.7	Very low	29 Å²	29	65 Å²	65	13%	0.127	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-36.2	177.5	-171.1	-99.9	0	0	0	112	W199 A204 S206 G210 L211 R216 L219 L220	W199-F208 HydrophobicContact CH2-CD1 4.11Å; W199-F208 HydrophobicContact CH2-CD2 4.01Å; W199-F208 AromaticContact CH2-CE1 3.62Å; W199-F208 HydrophobicContact CH2-CE1 3.62Å; W199-F208 AromaticContact CH2-CE2 3.51Å; W199-F208 HydrophobicContact CH2-CE2 3.51Å; W199-F208 HydrophobicContact CH2-CG 4.29Å; W199-F208 AromaticContact CH2-CZ 3.32Å; W199-F208 HydrophobicContact CH2-CZ 3.32Å; W199-F208 HydrophobicContact CZ2-CD2 4.26Å; W199-F208 AromaticContact CZ2-CE2 3.82Å; W199-F208 HydrophobicContact CZ2-CE2 3.82Å; W199-F208 HydrophobicContact CZ2-CZ 4.07Å; W199-F208 HydrophobicContact CZ3-CD1 4.31Å; W199-F208 HydrophobicContact CZ3-CE1 4.04Å; W199-F208 HydrophobicContact CZ3-CZ 4.2Å; A204-F208 WeakPolarHBondContact O-CA 3.44Å; A204-F208 WeakPolarHBondContact O-CB 3.04Å; A204-F208 PolarHBondContact O-N 3.48Å; S206-F208 VanDerWaalsContact C-N 3.34Å; F208-G210 VanDerWaalsContact C-N 3.28Å; F208-G210 PolarHBondContact O-N 3.05Å; F208-L211 HydrophobicContact CD2-CD1 4.06Å; F208-L211 WeakPolarHBondContact O-CB 3.18Å; F208-L211 PolarHBondContact O-N 2.04Å; F208-R216 HydrophobicContact CD1-CG 4.22Å; F208-R216 HydrophobicContact CD2-CG 4.15Å; F208-R216 HydrophobicContact CE1-CB 4.12Å; F208-R216 HydrophobicContact CE1-CG 3.81Å; F208-R216 HydrophobicContact CE2-CB 3.76Å; F208-R216 HydrophobicContact CE2-CG 3.73Å; F208-R216 HydrophobicContact CG-CG 4.37Å; F208-R216 HydrophobicContact CZ-CB 3.43Å; F208-R216 VanDerWaalsContact CZ-CB 3.43Å; F208-R216 HydrophobicContact CZ-CG 3.52Å; F208-R216 WeakPolarHBondContact O-CD 2.86Å; F208-R216 WeakPolarHBondContact O-CG 3.4Å; F208-R216 VanDerWaalsContact O-CZ 3.28Å; F208-R216 PolarHBondContact O-NE 2.8Å; F208-L219 HydrophobicContact CD2-CD2 4.36Å; F208-L219 HydrophobicContact CE2-CB 4.45Å; F208-L219 HydrophobicContact CE2-CD2 4.44Å; F208-L220 HydrophobicContact CE2-CG 4.44Å; F208-L220 HydrophobicContact CZ-CD1 3.91Å; F208-L220 HydrophobicContact CZ-CG 4.07Å
209	Q	42.5	Very low	39.2	Very low	129 Å²	129	64.2 Å²	64.2	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-71.1	-19.3	171.3	-75.5	176.4	21.5	0	0	113.7	D205 S206 W207 R216	D205-Q209 WeakPolarHBondContact O-CB 3.09Å; D205-Q209 WeakPolarHBondContact O-CG 2.97Å; D205-Q209 PolarHBondContact O-N 3.37Å; S206-Q209 CarbonylContact O-C 3.57Å; S206-Q209 PolarHBondContact O-N 2.93Å; W207-Q209 VanDerWaalsContact C-N 3.3Å; W207-Q209 PolarHBondContact O-N 3.15Å; Q209-R216 PolarHBondContact O-NH2 3.15Å
210	G	44.1	Very low	39.9	Very low	65 Å²	65	62.9 Å²	62.9	67%	0.67	35%	0.353	S	S	*	.	H	α-helix	trans	-80	-24.5	172.1	0	0	0	0	0	113.4	S206 W207 F208	S206-G210 PolarHBondContact O-N 3.09Å; W207-G210 WeakPolarHBondContact O-CA 3.3Å; W207-G210 PolarHBondContact O-N 3.3Å; F208-G210 VanDerWaalsContact C-N 3.28Å; F208-G210 PolarHBondContact O-N 3.05Å
211	L	43.4	Very low	40.4	Very low	22 Å²	22	69.7 Å²	69.7	12%	0.115	37%	0.371	C	S	.	.	S	Bend	trans	-67.1	148.1	178.4	-63.8	179.5	0	0	0	111.9	W207 F208 E215 R216 L219	W207-L211 HydrophobicContact CD2-CD1 4.45Å; W207-L211 HydrophobicContact CE3-CD1 4.25Å; W207-L211 HydrophobicContact CH2-CD1 3.75Å; W207-L211 HydrophobicContact CZ2-CD1 3.92Å; W207-L211 HydrophobicContact CZ2-CD2 4.02Å; W207-L211 HydrophobicContact CZ2-CG 4.36Å; W207-L211 HydrophobicContact CZ3-CD1 3.91Å; W207-L211 PolarHBondContact O-N 2.95Å; W207-L211 VanDerWaalsContact O-N 3.16Å; F208-L211 HydrophobicContact CD2-CD1 4.06Å; F208-L211 WeakPolarHBondContact O-CB 3.18Å; F208-L211 PolarHBondContact O-N 2.04Å; L211-E215 HydrophobicContact CB-CB 4.04Å; L211-E215 HydrophobicContact CD1-CB 4.44Å; L211-E215 HydrophobicContact CD2-CB 4.35Å; L211-R216 HydrophobicContact CB-CG 3.71Å; L211-R216 HydrophobicContact CD1-CG 4.39Å; L211-R216 VanDerWaalsContact O-CZ 3.28Å; L211-R216 PolarHBondContact O-NE 3.26Å; L211-R216 PolarHBondContact O-NH2 3.04Å; L211-L219 HydrophobicContact CD1-CD1 4.36Å
212	S	44.1	Very low	40.8	Very low	55 Å²	55	74 Å²	74	39%	0.385	39%	0.391	S	S	.	.			trans	-62.8	158.8	167.3	69.5	0	0	0	0	111.1	T214 E215 R216	S212-T214 PolarHBondContact O-N 3.26Å; S212-E215 VanDerWaalsContact CB-OE2 3.25Å; S212-E215 WeakPolarHBondContact CB-OE2 3.12Å; S212-E215 PolarHBondContact N-OE2 3.13Å; S212-E215 PolarHBondContact O-N 3.26Å; S212-E215 VanDerWaalsContact OG-CD 3.28Å; S212-E215 VanDerWaalsContact OG-CG 3.28Å; S212-E215 WeakPolarHBondContact OG-CG 3.47Å; S212-E215 PolarHBondContact OG-N 3.34Å; S212-E215 PolarHBondContact OG-OE2 2.95Å; S212-R216 WeakPolarHBondContact O-CG 3.08Å; S212-R216 PolarHBondContact O-N 2.03Å
213	Q	42	Very low	41.1	Very low	170 Å²	170	68.9 Å²	68.9	79%	0.794	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-32.9	-179.3	-167.3	165	5.8	0	0	112.5	A217	Q213-A217 WeakPolarHBondContact O-CB 3.33Å; Q213-A217 PolarHBondContact O-N 3.23Å; Q213-A217 VanDerWaalsContact O-N 3.08Å
214	T	41	Very low	41.1	Very low	107 Å²	107	71.1 Å²	71.1	66%	0.656	38%	0.379	S	S	*	.	H	α-helix	trans	-66.9	-45.9	176.4	-50.4	0	0	0	0	111.7	S212 A217 A218	S212-T214 PolarHBondContact O-N 3.26Å; T214-A217 PolarHBondContact O-N 3.39Å; T214-A218 PolarHBondContact O-N 3.29Å
215	E	43.1	Very low	40.9	Very low	97 Å²	97	77.2 Å²	77.2	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-44.8	177.9	-71.8	165.3	130	0	0	111.3	L211 S212 A217 A218 L219	L211-E215 HydrophobicContact CB-CB 4.04Å; L211-E215 HydrophobicContact CD1-CB 4.44Å; L211-E215 HydrophobicContact CD2-CB 4.35Å; S212-E215 VanDerWaalsContact CB-OE2 3.25Å; S212-E215 WeakPolarHBondContact CB-OE2 3.12Å; S212-E215 PolarHBondContact N-OE2 3.13Å; S212-E215 PolarHBondContact O-N 3.26Å; S212-E215 VanDerWaalsContact OG-CD 3.28Å; S212-E215 VanDerWaalsContact OG-CG 3.28Å; S212-E215 WeakPolarHBondContact OG-CG 3.47Å; S212-E215 PolarHBondContact OG-N 3.34Å; S212-E215 PolarHBondContact OG-OE2 2.95Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.3Å; E215-A218 PolarHBondContact O-N 3.47Å; E215-L219 PolarHBondContact O-N 2.82Å
216	R	44.3	Very low	40.7	Very low	77 Å²	77	77.8 Å²	77.8	29%	0.291	40%	0.395	S	S	.	.	H	α-helix	trans	-55.3	-46.1	174.1	-71.4	-175.1	-147.1	-165.9	1.9	112	F208 Q209 L211 S212 L219 L220	F208-R216 HydrophobicContact CD1-CG 4.22Å; F208-R216 HydrophobicContact CD2-CG 4.15Å; F208-R216 HydrophobicContact CE1-CB 4.12Å; F208-R216 HydrophobicContact CE1-CG 3.81Å; F208-R216 HydrophobicContact CE2-CB 3.76Å; F208-R216 HydrophobicContact CE2-CG 3.73Å; F208-R216 HydrophobicContact CG-CG 4.37Å; F208-R216 HydrophobicContact CZ-CB 3.43Å; F208-R216 VanDerWaalsContact CZ-CB 3.43Å; F208-R216 HydrophobicContact CZ-CG 3.52Å; F208-R216 WeakPolarHBondContact O-CD 2.86Å; F208-R216 WeakPolarHBondContact O-CG 3.4Å; F208-R216 VanDerWaalsContact O-CZ 3.28Å; F208-R216 PolarHBondContact O-NE 2.8Å; Q209-R216 PolarHBondContact O-NH2 3.15Å; L211-R216 HydrophobicContact CB-CG 3.71Å; L211-R216 HydrophobicContact CD1-CG 4.39Å; L211-R216 VanDerWaalsContact O-CZ 3.28Å; L211-R216 PolarHBondContact O-NE 3.26Å; L211-R216 PolarHBondContact O-NH2 3.04Å; S212-R216 WeakPolarHBondContact O-CG 3.08Å; S212-R216 PolarHBondContact O-N 2.03Å; R216-L219 PolarHBondContact O-N 3.32Å; R216-L220 WeakPolarHBondContact O-CB 3.1Å; R216-L220 WeakPolarHBondContact O-CG 3.4Å; R216-L220 PolarHBondContact O-N 3.17Å
217	A	41.5	Very low	40.4	Very low	37 Å²	37	82.6 Å²	82.6	31%	0.306	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-34.8	179.7	0	0	0	0	0	112.5	Q213 T214 E215 R221	Q213-A217 WeakPolarHBondContact O-CB 3.33Å; Q213-A217 PolarHBondContact O-N 3.23Å; Q213-A217 VanDerWaalsContact O-N 3.08Å; T214-A217 PolarHBondContact O-N 3.39Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.3Å; A217-R221 WeakPolarHBondContact O-CB 3.41Å; A217-R221 VanDerWaalsContact O-CG 3.27Å; A217-R221 WeakPolarHBondContact O-CG 3.37Å; A217-R221 PolarHBondContact O-N 2.97Å; A217-R221 PolarHBondContact O-NE 2.9Å
218	A	43	Very low	39.8	Very low	43 Å²	43	85.5 Å²	85.5	36%	0.355	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-44.4	173.4	0	0	0	0	0	111.2	T214 E215 R221 Q222	T214-A218 PolarHBondContact O-N 3.29Å; E215-A218 PolarHBondContact O-N 3.47Å; A218-R221 PolarHBondContact O-N 3.34Å; A218-Q222 PolarHBondContact O-N 3.14Å
219	L	44.8	Very low	39.2	Very low	21 Å²	21	91.3 Å²	91.3	11%	0.11	46%	0.46	C	S	.	.	H	α-helix	trans	-61.1	-50.4	177.1	-130.6	99.6	0	0	0	111.7	V196 W207 F208 L211 E215 R216 R221 Q222 V223 I243	V196-L219 HydrophobicContact CB-CD2 4.46Å; V196-L219 HydrophobicContact CG1-CD2 3.57Å; V196-L219 HydrophobicContact CG1-CG 4.24Å; W207-L219 HydrophobicContact CH2-CD1 3.71Å; W207-L219 HydrophobicContact CH2-CD2 3.66Å; W207-L219 HydrophobicContact CH2-CG 4.34Å; W207-L219 HydrophobicContact CZ3-CD1 4.48Å; W207-L219 HydrophobicContact CZ3-CD2 3.61Å; F208-L219 HydrophobicContact CD2-CD2 4.36Å; F208-L219 HydrophobicContact CE2-CB 4.45Å; F208-L219 HydrophobicContact CE2-CD2 4.44Å; L211-L219 HydrophobicContact CD1-CD1 4.36Å; E215-L219 PolarHBondContact O-N 2.82Å; R216-L219 PolarHBondContact O-N 3.32Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3.32Å; L219-Q222 WeakPolarHBondContact O-CB 3.12Å; L219-Q222 PolarHBondContact O-N 3.31Å; L219-Q222 VanDerWaalsContact O-N 3.11Å; L219-V223 WeakPolarHBondContact O-CG2 3.14Å; L219-V223 PolarHBondContact O-N 2.78Å; L219-I243 HydrophobicContact CD1-CD1 3.9Å; L219-I243 HydrophobicContact CD2-CD1 4.44Å; L219-I243 HydrophobicContact CG-CD1 3.88Å
220	L	43.9	Very low	38.5	Very low	68 Å²	68	90.3 Å²	90.3	36%	0.356	47%	0.467	S	S	.	.	H	α-helix	trans	-59	-39.9	177.5	-82.3	169.2	0	0	0	111.9	W199 F208 R216 V223 M224	W199-L220 HydrophobicContact CH2-CD1 4.29Å; W199-L220 HydrophobicContact CH2-CD2 3.29Å; W199-L220 HydrophobicContact CH2-CG 3.8Å; W199-L220 HydrophobicContact CZ2-CD2 3.28Å; W199-L220 HydrophobicContact CZ2-CG 3.86Å; W199-L220 HydrophobicContact CZ3-CD2 4.23Å; F208-L220 HydrophobicContact CE2-CG 4.44Å; F208-L220 HydrophobicContact CZ-CD1 3.91Å; F208-L220 HydrophobicContact CZ-CG 4.07Å; R216-L220 WeakPolarHBondContact O-CB 3.1Å; R216-L220 WeakPolarHBondContact O-CG 3.4Å; R216-L220 PolarHBondContact O-N 3.17Å; L220-V223 PolarHBondContact O-N 2.59Å; L220-M224 WeakPolarHBondContact O-CB 3.35Å; L220-M224 WeakPolarHBondContact O-CG 3.5Å; L220-M224 PolarHBondContact O-N 3.27Å
221	R	40.1	Very low	38	Very low	166 Å²	166	92.4 Å²	92.4	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-63.4	-41.1	174.9	-82	-176.9	-81	-166.8	-1.1	112.2	A217 A218 L219 M224 Y225	A217-R221 WeakPolarHBondContact O-CB 3.41Å; A217-R221 VanDerWaalsContact O-CG 3.27Å; A217-R221 WeakPolarHBondContact O-CG 3.37Å; A217-R221 PolarHBondContact O-N 2.97Å; A217-R221 PolarHBondContact O-NE 2.9Å; A218-R221 PolarHBondContact O-N 3.34Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3.32Å; R221-M224 PolarHBondContact O-N 3.29Å; R221-Y225 WeakPolarHBondContact O-CB 3.45Å; R221-Y225 PolarHBondContact O-N 3.17Å
222	Q	40.3	Very low	37.5	Very low	94 Å²	94	96.8 Å²	96.8	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-43.2	175.4	-74.5	-172.6	-0	0	0	112.2	A218 L219 Y225 R226	A218-Q222 PolarHBondContact O-N 3.14Å; L219-Q222 WeakPolarHBondContact O-CB 3.12Å; L219-Q222 PolarHBondContact O-N 3.31Å; L219-Q222 VanDerWaalsContact O-N 3.11Å; Q222-Y225 PolarHBondContact O-N 3.25Å; Q222-R226 VanDerWaalsContact O-CG 3.27Å; Q222-R226 WeakPolarHBondContact O-CG 3.18Å; Q222-R226 PolarHBondContact O-N 2.83Å; Q222-R226 VanDerWaalsContact O-N 3.16Å
223	V	39.5	Very low	37.1	Very low	14 Å²	14	103.7 Å²	103.7	9%	0.085	52%	0.524	C	S	.	.	H	α-helix	trans	-63.4	-44.1	177.2	176.4	0	0	0	0	110.7	V196 L219 L220 R226 L227	V196-V223 HydrophobicContact CB-CG2 3.91Å; V196-V223 HydrophobicContact CG2-CG2 3.88Å; L219-V223 WeakPolarHBondContact O-CG2 3.14Å; L219-V223 PolarHBondContact O-N 2.78Å; L220-V223 PolarHBondContact O-N 2.59Å; V223-R226 PolarHBondContact O-N 2.04Å; V223-L227 HydrophobicContact CG1-CD1 4.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.07Å
224	M	30.8	Very low	36.6	Very low	108 Å²	108	105.4 Å²	105.4	53%	0.532	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-43.8	177.2	-73.1	-159.3	71.3	0	0	112.7	L220 R221 R226 L227 D228	L220-M224 WeakPolarHBondContact O-CB 3.35Å; L220-M224 WeakPolarHBondContact O-CG 3.5Å; L220-M224 PolarHBondContact O-N 3.27Å; R221-M224 PolarHBondContact O-N 3.29Å; M224-R226 PolarHBondContact O-N 2.91Å; M224-L227 PolarHBondContact O-N 3.46Å; M224-L227 VanDerWaalsContact O-N 3.08Å; M224-D228 PolarHBondContact O-N 2.96Å; M224-D228 VanDerWaalsContact O-N 3.09Å
225	Y	32.4	Very low	36	Very low	153 Å²	153	103.6 Å²	103.6	60%	0.6	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-33.5	178.5	-163.2	-90.6	0	0	0	112.1	R221 Q222 Y229	R221-Y225 WeakPolarHBondContact O-CB 3.45Å; R221-Y225 PolarHBondContact O-N 3.17Å; Q222-Y225 PolarHBondContact O-N 3.25Å; Y225-Y229 HydrophobicContact CD1-CD2 4.12Å; Y225-Y229 HydrophobicContact CD1-CE2 4.37Å; Y225-Y229 AromaticContact CE1-CD2 3.74Å; Y225-Y229 HydrophobicContact CE1-CD2 3.74Å; Y225-Y229 AromaticContact CE1-CE2 3.61Å; Y225-Y229 HydrophobicContact CE1-CE2 3.61Å; Y225-Y229 HydrophobicContact CE2-CE2 4.14Å; Y225-Y229 AromaticContact CZ-CE2 3.48Å; Y225-Y229 VanDerWaalsContact CZ-CE2 3.48Å; Y225-Y229 PolarHBondContact O-N 3.02Å; Y225-Y229 WeakPolarHBondContact OH-CE2 3.27Å
226	R	33.7	Very low	35.5	Very low	75 Å²	75	103.9 Å²	103.9	28%	0.283	53%	0.534	S	S	.	.	H	α-helix	trans	-70.7	-34.7	174.8	-69	170.3	-155.2	-112.5	6	113.1	Q222 V223 M224 Y229 K240 N241	Q222-R226 VanDerWaalsContact O-CG 3.27Å; Q222-R226 WeakPolarHBondContact O-CG 3.18Å; Q222-R226 PolarHBondContact O-N 2.83Å; Q222-R226 VanDerWaalsContact O-N 3.16Å; V223-R226 PolarHBondContact O-N 2.04Å; M224-R226 PolarHBondContact O-N 2.91Å; R226-Y229 VanDerWaalsContact O-O 3.11Å; R226-K240 PolarHBondContact NH1-O 3.37Å; R226-N241 PolarHBondContact NH1-OD1 2.88Å
227	L	30.8	Very low	35.1	Very low	137 Å²	137	108.4 Å²	108.4	72%	0.717	55%	0.552	S	S	*	*	H	α-helix	trans	-74.7	-31.8	179.6	-71.5	170.5	0	0	0	112.6	V223 M224	V223-L227 HydrophobicContact CG1-CD1 4.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.07Å; M224-L227 PolarHBondContact O-N 3.46Å; M224-L227 VanDerWaalsContact O-N 3.08Å
228	D	29.8	Very low	34.6	Very low	129 Å²	129	110.6 Å²	110.6	69%	0.69	56%	0.559	S	S	*	*	H	α-helix	trans	-76.9	-25.5	177.5	-79.2	-22.9	0	0	0	112.8	M224 S230	M224-D228 PolarHBondContact O-N 2.96Å; M224-D228 VanDerWaalsContact O-N 3.09Å; D228-S230 PolarHBondContact O-N 3.33Å
229	Y	27.6	Very low	34.2	Very low	150 Å²	150	115.1 Å²	115.1	59%	0.588	57%	0.568	S	S	*	*	S	Bend	trans	-86.5	108.5	171.2	-88.8	-90.9	0	0	0	110.3	Y225 R226 S231	Y225-Y229 HydrophobicContact CD1-CD2 4.12Å; Y225-Y229 HydrophobicContact CD1-CE2 4.37Å; Y225-Y229 AromaticContact CE1-CD2 3.74Å; Y225-Y229 HydrophobicContact CE1-CD2 3.74Å; Y225-Y229 AromaticContact CE1-CE2 3.61Å; Y225-Y229 HydrophobicContact CE1-CE2 3.61Å; Y225-Y229 HydrophobicContact CE2-CE2 4.14Å; Y225-Y229 AromaticContact CZ-CE2 3.48Å; Y225-Y229 VanDerWaalsContact CZ-CE2 3.48Å; Y225-Y229 PolarHBondContact O-N 3.02Å; Y225-Y229 WeakPolarHBondContact OH-CE2 3.27Å; R226-Y229 VanDerWaalsContact O-O 3.11Å; Y229-S231 PolarHBondContact O-N 3.05Å
230	S	29.1	Very low	33.6	Very low	109 Å²	109	121 Å²	121	76%	0.762	59%	0.592	S	S	*	*			trans	-55	102.3	164.8	48.3	0	0	0	0	108.5	D228 P232	D228-S230 PolarHBondContact O-N 3.33Å; S230-P232 VanDerWaalsContact O-N 3.14Å
231	S	33.8	Very low	33.4	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	59%	0.59	S	S	*	*			trans	-51.3	122.9	-176.1	-151.1	0	0	0	0	108.6	Y229 K233	Y229-S231 PolarHBondContact O-N 3.05Å; S231-K233 PolarHBondContact O-N 3.43Å
232	P	32.6	Very low	33.1	Very low	115 Å²	115	114.4 Å²	114.4	75%	0.747	57%	0.569	S	S	*	*			trans	-55.1	135	-176	17.9	-28.2	0	0	0	109.5	S230 K234	S230-P232 VanDerWaalsContact O-N 3.14Å; P232-K234 PolarHBondContact O-N 2.66Å
233	K	34.6	Very low	32.7	Very low	199 Å²	199	111.4 Å²	111.4	87%	0.865	56%	0.556	S	S	*	*	S	Bend	trans	-35.5	122.8	-179	-69.9	175	176.4	176.1	0	111.7	S231	S231-K233 PolarHBondContact O-N 3.43Å
234	K	31.4	Very low	32.3	Very low	207 Å²	207	118.2 Å²	118.2	90%	0.9	58%	0.581	S	S	*	*			trans	54.2	81	152.3	-63.9	-179	174.6	-176.6	0	115.1	P232	P232-K234 PolarHBondContact O-N 2.66Å
235	S	29.7	Very low	32.2	Very low	69 Å²	69	115.8 Å²	115.8	48%	0.483	57%	0.57	S	S	.	*			trans	-125.1	117.9	133.3	67	0	0	0	0	107.3	Y237	S235-Y237 PolarHBondContact O-N 3.46Å
236	S	32.1	Very low	32	Very low	103 Å²	103	113.3 Å²	113.3	72%	0.72	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	24.1	177.7	45.4	0	0	0	0	113
237	Y	34.7	Very low	31.8	Very low	172 Å²	172	114.3 Å²	114.3	68%	0.675	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.6	1.7	-161.4	-63.8	-70.8	0	0	0	114.7	S235 Y239	S235-Y237 PolarHBondContact O-N 3.46Å; Y237-Y239 PolarHBondContact O-N 3.13Å; Y237-Y239 VanDerWaalsContact O-N 3.08Å
238	D	31.6	Very low	31.8	Very low	83 Å²	83	116.8 Å²	116.8	44%	0.444	62%	0.617	S	S	.	*			trans	-86.8	85.6	-177	-104.3	-17.5	0	0	0	111.7	K240	D238-K240 HydrophobicContact CB-CD 4.34Å; D238-K240 HydrophobicContact CB-CG 4.28Å; D238-K240 VanDerWaalsContact CG-NZ 3.29Å; D238-K240 PolarHBondContact O-N 3.15Å; D238-K240 WeakPolarHBondContact OD1-CD 3.45Å; D238-K240 WeakPolarHBondContact OD1-CE 3.48Å; D238-K240 IonicContact OD1-NZ 3.04Å; D238-K240 PolarHBondContact OD1-NZ 2.83Å; D238-K240 WeakPolarHBondContact OD2-CE 3.44Å; D238-K240 IonicContact OD2-NZ 2.78Å; D238-K240 PolarHBondContact OD2-NZ 3.05Å
239	Y	34.3	Very low	31.9	Very low	138 Å²	138	116.2 Å²	116.2	54%	0.541	61%	0.613	S	S	.	*			trans	-62.8	19.5	163.5	-67.2	-74.3	0	0	0	114	I172 Y237 N241	I172-Y239 HydrophobicContact CB-CE1 4.25Å; I172-Y239 HydrophobicContact CD1-CD1 3.24Å; I172-Y239 HydrophobicContact CD1-CE1 3.36Å; I172-Y239 HydrophobicContact CD1-CG 4.28Å; I172-Y239 HydrophobicContact CG1-CD1 4.16Å; I172-Y239 HydrophobicContact CG1-CE1 3.75Å; I172-Y239 HydrophobicContact CG2-CD1 4.41Å; I172-Y239 HydrophobicContact CG2-CE1 3.51Å; I172-Y239 WeakPolarHBondContact CG2-OH 3.4Å; Y237-Y239 PolarHBondContact O-N 3.13Å; Y237-Y239 VanDerWaalsContact O-N 3.08Å; Y239-N241 PolarHBondContact O-N 3.38Å
240	K	33.6	Very low	32.1	Very low	143 Å²	143	114.4 Å²	114.4	62%	0.622	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	2.6	-176.9	-73.2	-179.2	-178.2	145.6	0	114.1	R226 D238	R226-K240 PolarHBondContact NH1-O 3.37Å; D238-K240 HydrophobicContact CB-CD 4.34Å; D238-K240 HydrophobicContact CB-CG 4.28Å; D238-K240 VanDerWaalsContact CG-NZ 3.29Å; D238-K240 PolarHBondContact O-N 3.15Å; D238-K240 WeakPolarHBondContact OD1-CD 3.45Å; D238-K240 WeakPolarHBondContact OD1-CE 3.48Å; D238-K240 IonicContact OD1-NZ 3.04Å; D238-K240 PolarHBondContact OD1-NZ 2.83Å; D238-K240 WeakPolarHBondContact OD2-CE 3.44Å; D238-K240 IonicContact OD2-NZ 2.78Å; D238-K240 PolarHBondContact OD2-NZ 3.05Å
241	N	38	Very low	32.3	Very low	59 Å²	59	114.7 Å²	114.7	32%	0.316	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	12.8	-172.6	-64.7	-14.6	0	0	0	115.5	D197 R226 Y239	D197-N241 PolarHBondContact OD2-ND2 3.12Å; R226-N241 PolarHBondContact NH1-OD1 2.88Å; Y239-N241 PolarHBondContact O-N 3.38Å
242	L	34.2	Very low	32.2	Very low	37 Å²	37	115.1 Å²	115.1	19%	0.194	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	129.2	-177.2	-61.3	163.6	0	0	0	110.8	I172 Q193	I172-L242 HydrophobicContact CD1-CD1 3.55Å; Q193-L242 HydrophobicContact CB-CB 4.03Å; Q193-L242 HydrophobicContact CB-CD2 3.94Å; Q193-L242 HydrophobicContact CB-CG 4.41Å; Q193-L242 HydrophobicContact CG-CB 4.41Å
243	I	32.8	Very low	32.2	Very low	31 Å²	31	115.1 Å²	115.1	16%	0.159	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	134.2	169.8	-56.7	-165.6	0	0	0	108.7	C194 V196 L219	C194-I243 PolarHBondContact O-N 3.31Å; V196-I243 HydrophobicContact CB-CD1 4.23Å; V196-I243 HydrophobicContact CG1-CB 4.35Å; V196-I243 HydrophobicContact CG1-CD1 3.39Å; V196-I243 HydrophobicContact CG1-CG1 3.79Å; V196-I243 HydrophobicContact CG2-CD1 3.88Å; V196-I243 HydrophobicContact CG2-CG1 4.06Å; L219-I243 HydrophobicContact CD1-CD1 3.9Å; L219-I243 HydrophobicContact CD2-CD1 4.44Å; L219-I243 HydrophobicContact CG-CD1 3.88Å
244	Y	29.8	Very low	32	Very low	157 Å²	157	109.5 Å²	109.5	62%	0.616	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	129.5	173.5	-75.9	-87.5	0	0	0	111.1
245	M	29.5	Very low	32	Very low	58 Å²	58	102.5 Å²	102.5	29%	0.286	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-81	130.5	165.4	-76.6	-178.8	127.4	0	0	109.9	W207	W207-M245 HydrophobicContact CB-CE 4.37Å; W207-M245 HydrophobicContact CD2-CE 4.16Å; W207-M245 HydrophobicContact CG-CE 3.68Å
246	P	28.5	Very low	32.2	Very low	100 Å²	100	105.1 Å²	105.1	65%	0.649	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-63	150.5	164.8	25.7	-30.1	0	0	0	110.2	S248	P246-S248 PolarHBondContact O-N 3.06Å
247	P	29.3	Very low	32.2	Very low	97 Å²	97	105.3 Å²	105.3	63%	0.63	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.2	135.8	173.5	23.6	-28.2	0	0	0	110.6
248	S	30.6	Very low	32	Very low	188 Å²	188	99.2 Å²	99.2	100%	1.315	53%	0.525	S	S	*	.			trans	-70.1	0	165.1	50.7	0	0	0	0	111.7	P246	P246-S248 PolarHBondContact O-N 3.06Å

Retrieved 248 of 248 residues in 136.5 ms (Link to these results)

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