A0A077YVH3_TRITR Loading...

Mediator of RNA polymerase II transcription subun it 5

AlphaFold DB , UniProt , Accession A0A077YVH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	51.2	Low	224 Å²	224	133.5 Å²	133.5	100%	1.103	73%	0.73	S	S	*	*				0	98.5	0	-69.1	-144.5	-152.6	0	0	104	D3	M1-D3 PolarHBondContact O-N 2.7Å
2	D	41.1	Very low	52.1	Low	162 Å²	162	133.1 Å²	133.1	87%	0.866	72%	0.72	S	S	*	*			trans	-82.1	87.8	-175.3	-58.2	-49.6	0	0	0	107.4	E4	D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.31Å; D2-E4 VanDerWaalsContact O-N 3.09Å
3	D	45.5	Very low	53.4	Low	146 Å²	146	126.8 Å²	126.8	78%	0.781	69%	0.686	S	S	*	*			trans	-80.5	85.4	169.1	-73.9	-32.2	0	0	0	107.7	M1 V5	M1-D3 PolarHBondContact O-N 2.7Å; D3-V5 PolarHBondContact O-N 2.91Å
4	E	48.5	Very low	54	Low	174 Å²	174	125.1 Å²	125.1	81%	0.813	68%	0.684	S	S	*	*			trans	-62.5	97.3	165.4	-161.9	172.2	-148	0	0	107.2	D2 L6	D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.31Å; D2-E4 VanDerWaalsContact O-N 3.09Å; E4-L6 PolarHBondContact O-N 3.18Å
5	V	47.3	Very low	54	Low	131 Å²	131	125.4 Å²	125.4	79%	0.794	68%	0.684	S	S	*	*			trans	-67	85.6	174	-178.6	0	0	0	0	107.2	D3 A7	D3-V5 PolarHBondContact O-N 2.91Å; V5-A7 PolarHBondContact O-N 3.22Å
6	L	47.4	Very low	54.5	Low	143 Å²	143	119.3 Å²	119.3	75%	0.749	65%	0.65	S	S	*	*			trans	-51.5	109.2	155.5	-100.7	108.9	0	0	0	105.8	E4 S8	E4-L6 PolarHBondContact O-N 3.18Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.36Å
7	A	50.5	Low	54.4	Low	95 Å²	95	123.3 Å²	123.3	79%	0.785	65%	0.654	S	S	*	*			trans	-55.9	99.6	164.2	0	0	0	0	0	106.5	V5 Y9	V5-A7 PolarHBondContact O-N 3.22Å; A7-Y9 PolarHBondContact O-N 2.84Å; A7-Y9 VanDerWaalsContact O-N 3.08Å
8	S	57.9	Low	54.3	Low	104 Å²	104	124.8 Å²	124.8	73%	0.727	65%	0.65	S	S	*	*			trans	-63.9	113.7	-176.1	54.9	0	0	0	0	107.6	L6 D10	L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.36Å; S8-D10 PolarHBondContact O-N 2.77Å
9	Y	57.7	Low	54.2	Low	144 Å²	144	122.5 Å²	122.5	57%	0.565	64%	0.638	S	S	*	*			trans	-52.4	109.7	168.8	172.5	-99	0	0	0	108.7	A7 P11 L19	A7-Y9 PolarHBondContact O-N 2.84Å; A7-Y9 VanDerWaalsContact O-N 3.08Å; Y9-P11 HydrophobicContact CE1-CB 3.98Å; Y9-P11 WeakPolarHBondContact O-CD 3.32Å; Y9-L19 HydrophobicContact CE2-CD1 4.17Å
10	D	65.7	Low	53.8	Low	81 Å²	81	121.4 Å²	121.4	43%	0.433	63%	0.625	S	S	.	*			trans	-93.5	107.6	173	-175.3	0.3	0	0	0	108.2	S8 E12 D13 N16	S8-D10 PolarHBondContact O-N 2.77Å; D10-E12 PolarHBondContact O-N 3.41Å; D10-E12 WeakPolarHBondContact OD1-CA 3.45Å; D10-E12 WeakPolarHBondContact OD1-CB 3.21Å; D10-E12 PolarHBondContact OD1-N 2.86Å; D10-D13 HydrophobicContact CB-CB 4.17Å; D10-D13 VanDerWaalsContact O-CB 3.23Å; D10-D13 WeakPolarHBondContact O-CB 3.22Å; D10-D13 PolarHBondContact O-N 3.03Å; D10-N16 PolarHBondContact O-ND2 2.92Å
11	P	60.3	Low	53.3	Low	64 Å²	64	120.6 Å²	120.6	42%	0.416	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-18	176.1	25.6	-32	0	0	0	112.2	Y9 R20	Y9-P11 HydrophobicContact CE1-CB 3.98Å; Y9-P11 WeakPolarHBondContact O-CD 3.32Å; P11-R20 VanDerWaalsContact O-CZ 3.25Å; P11-R20 PolarHBondContact O-NE 3.26Å; P11-R20 PolarHBondContact O-NH2 2.91Å
12	E	62	Low	53.5	Low	129 Å²	129	117.1 Å²	117.1	60%	0.603	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	3.3	175.4	-63.9	-59.7	155.1	0	0	113.7	D10 P14 R20	D10-E12 PolarHBondContact O-N 3.41Å; D10-E12 WeakPolarHBondContact OD1-CA 3.45Å; D10-E12 WeakPolarHBondContact OD1-CB 3.21Å; D10-E12 PolarHBondContact OD1-N 2.86Å; E12-P14 WeakPolarHBondContact O-CD 3.49Å; E12-R20 PolarHBondContact O-NH2 3.1Å; E12-R20 IonicContact OE2-CZ 3.78Å; E12-R20 VanDerWaalsContact OE2-CZ 3.29Å; E12-R20 IonicContact OE2-NH1 3.49Å; E12-R20 PolarHBondContact OE2-NH1 3.28Å; E12-R20 IonicContact OE2-NH2 3.69Å
13	D	70.1	Confident	53.6	Low	52 Å²	52	118.3 Å²	118.3	28%	0.278	62%	0.615	S	S	.	*			trans	-60	126.2	172	-168.1	-28.8	0	0	0	110	D10 L15 N16 R20	D10-D13 HydrophobicContact CB-CB 4.17Å; D10-D13 VanDerWaalsContact O-CB 3.23Å; D10-D13 WeakPolarHBondContact O-CB 3.22Å; D10-D13 PolarHBondContact O-N 3.03Å; D13-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact O-N 3.13Å; D13-L15 WeakPolarHBondContact OD1-CB 3.47Å; D13-L15 PolarHBondContact OD1-N 3.12Å; D13-N16 HydrophobicContact CB-CB 4.28Å; D13-N16 PolarHBondContact O-N 2.61Å; D13-R20 PolarHBondContact O-NH2 3.26Å; D13-R20 VanDerWaalsContact O-NH2 3.12Å
14	P	61.4	Low	53.5	Low	103 Å²	103	119.8 Å²	119.8	67%	0.669	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-55	-25.1	173.9	-24.6	32.7	0	0	0	113.9	E12 N16 W17	E12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-N16 VanDerWaalsContact C-N 3.34Å; P14-W17 VanDerWaalsContact O-CD1 3.31Å
15	L	54.6	Low	52.9	Low	129 Å²	129	117.8 Å²	117.8	68%	0.675	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-75.9	-20.1	176.8	-70.1	160.4	0	0	0	113	D13 Y18	D13-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact O-N 3.13Å; D13-L15 WeakPolarHBondContact OD1-CB 3.47Å; D13-L15 PolarHBondContact OD1-N 3.12Å; L15-Y18 WeakPolarHBondContact O-CE1 3.43Å
16	N	60.9	Low	52.5	Low	27 Å²	27	122.6 Å²	122.6	14%	0.144	62%	0.621	C	S	.	*	G	3₁₀ helix	trans	-93.5	15.3	-179.3	-69.4	-26.3	0	0	0	113.5	D10 D13 P14 Y18 L19	D10-N16 PolarHBondContact O-ND2 2.92Å; D13-N16 HydrophobicContact CB-CB 4.28Å; D13-N16 PolarHBondContact O-N 2.61Å; P14-N16 VanDerWaalsContact C-N 3.34Å; N16-Y18 PolarHBondContact O-N 2.88Å; N16-Y18 VanDerWaalsContact O-N 3.11Å; N16-L19 PolarHBondContact O-N 3.02Å
17	W	53.4	Low	52	Low	188 Å²	188	122.6 Å²	122.6	71%	0.712	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-56.9	-29.3	-176	70.7	-87.1	0	0	0	114.1	P14 L19 R20	P14-W17 VanDerWaalsContact O-CD1 3.31Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-R20 PolarHBondContact O-N 2.96Å
18	Y	52.4	Low	51.3	Low	150 Å²	150	122.4 Å²	122.4	59%	0.588	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-77.8	-15.4	179.3	69	-85.9	0	0	0	113.7	L15 N16	L15-Y18 WeakPolarHBondContact O-CE1 3.43Å; N16-Y18 PolarHBondContact O-N 2.88Å; N16-Y18 VanDerWaalsContact O-N 3.11Å
19	L	52.1	Low	50.2	Low	82 Å²	82	125.4 Å²	125.4	43%	0.429	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-91.3	-11.7	175.3	-75.5	161	0	0	0	112.6	Y9 N16 W17 C21	Y9-L19 HydrophobicContact CE2-CD1 4.17Å; N16-L19 PolarHBondContact O-N 3.02Å; W17-L19 VanDerWaalsContact C-N 3.33Å; L19-C21 PolarHBondContact O-N 2.9Å
20	R	46.9	Very low	49.1	Very low	100 Å²	100	128.5 Å²	128.5	38%	0.377	65%	0.645	S	S	.	*			trans	-76.6	74.9	173.3	-57.3	-171.9	-161.4	-174.1	11.6	109.1	P11 E12 D13 W17 D22	P11-R20 VanDerWaalsContact O-CZ 3.25Å; P11-R20 PolarHBondContact O-NE 3.26Å; P11-R20 PolarHBondContact O-NH2 2.91Å; E12-R20 PolarHBondContact O-NH2 3.1Å; E12-R20 IonicContact OE2-CZ 3.78Å; E12-R20 VanDerWaalsContact OE2-CZ 3.29Å; E12-R20 IonicContact OE2-NH1 3.49Å; E12-R20 PolarHBondContact OE2-NH1 3.28Å; E12-R20 IonicContact OE2-NH2 3.69Å; D13-R20 PolarHBondContact O-NH2 3.26Å; D13-R20 VanDerWaalsContact O-NH2 3.12Å; W17-R20 PolarHBondContact O-N 2.96Å; R20-D22 PolarHBondContact O-N 3.14Å
21	C	43.5	Very low	47.9	Very low	105 Å²	105	133.6 Å²	133.6	71%	0.709	66%	0.658	S	S	*	*			trans	-65.5	100.3	162.4	-70.2	0	0	0	0	107.1	L19 E23	L19-C21 PolarHBondContact O-N 2.9Å; C21-E23 VanDerWaalsContact C-N 3.31Å; C21-E23 PolarHBondContact O-N 3.13Å
22	D	45.4	Very low	46.8	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	68%	0.68	S	S	*	*			trans	-60.6	94.2	170.1	-87.6	-33.3	0	0	0	109.2	R20 K24	R20-D22 PolarHBondContact O-N 3.14Å; D22-K24 PolarHBondContact O-N 3.38Å
23	E	42.6	Very low	45.8	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	68%	0.678	S	S	*	*			trans	-70.7	12.1	173.4	-74.5	-169.4	150.7	0	0	113.4	C21	C21-E23 VanDerWaalsContact C-N 3.31Å; C21-E23 PolarHBondContact O-N 3.13Å
24	K	42.7	Very low	44.5	Very low	178 Å²	178	144.3 Å²	144.3	77%	0.774	70%	0.698	S	S	*	*			trans	-107.8	107.4	177	-71.1	-175.9	-179.1	172.2	0	110	D22 R26	D22-K24 PolarHBondContact O-N 3.38Å; K24-R26 VanDerWaalsContact C-N 3.28Å; K24-R26 PolarHBondContact O-N 3.09Å
25	P	36.5	Very low	43.5	Very low	131 Å²	131	145 Å²	145	85%	0.851	70%	0.695	S	S	*	*			trans	-73.9	86.1	177.8	31.7	-31.5	0	0	0	108.2	D27	P25-D27 PolarHBondContact O-N 2.84Å; P25-D27 VanDerWaalsContact O-N 3.15Å
26	R	38.9	Very low	42.8	Very low	233 Å²	233	140.8 Å²	140.8	88%	0.879	68%	0.683	S	S	*	*			trans	-75.2	102	168.1	-96.6	-175.4	169.9	175.8	-2.4	108.6	K24	K24-R26 VanDerWaalsContact C-N 3.28Å; K24-R26 PolarHBondContact O-N 3.09Å
27	D	37.7	Very low	42.1	Very low	143 Å²	143	145 Å²	145	77%	0.765	70%	0.702	S	S	*	*	S	Bend	trans	54.8	99.9	154	-69.6	-33.6	0	0	0	118.1	P25 K29	P25-D27 PolarHBondContact O-N 2.84Å; P25-D27 VanDerWaalsContact O-N 3.15Å; D27-K29 PolarHBondContact O-N 3.36Å
28	G	34.5	Very low	41.9	Very low	90 Å²	90	142.6 Å²	142.6	93%	0.928	70%	0.699	S	S	*	*	S	Bend	trans	70.3	-14.4	132.5	0	0	0	0	0	118.8	K30	G28-K30 PolarHBondContact O-N 2.94Å
29	K	34.9	Very low	41.7	Very low	168 Å²	168	141.1 Å²	141.1	73%	0.73	70%	0.701	S	S	*	*			trans	-98.8	78.6	174.2	-72.1	178.5	-178.2	173.2	0	108.5	D27 R31	D27-K29 PolarHBondContact O-N 3.36Å; K29-R31 HydrophobicContact CB-CG 4.34Å; K29-R31 PolarHBondContact O-N 3.3Å
30	K	35.9	Very low	41.5	Very low	209 Å²	209	142.5 Å²	142.5	91%	0.909	71%	0.708	S	S	*	*			trans	-60.9	80	149.1	-76.5	-173.6	177.3	-176.9	0	106.6	G28 R32	G28-K30 PolarHBondContact O-N 2.94Å; K30-R32 PolarHBondContact O-N 2.77Å
31	R	38.6	Very low	41.6	Very low	187 Å²	187	142.5 Å²	142.5	71%	0.706	72%	0.716	S	S	*	*			trans	-59.9	126.3	171.1	-88	177.2	159.8	155.9	-6.9	106	K29 L33	K29-R31 HydrophobicContact CB-CG 4.34Å; K29-R31 PolarHBondContact O-N 3.3Å; R31-L33 HydrophobicContact CB-CD1 3.84Å; R31-L33 HydrophobicContact CB-CG 4.23Å; R31-L33 PolarHBondContact O-N 3.43Å
32	R	37.7	Very low	42	Very low	230 Å²	230	140 Å²	140	87%	0.868	70%	0.699	S	S	*	*			trans	-62.7	63.1	176	-59.7	173.1	-177.6	157.5	-1.7	110.6	K30	K30-R32 PolarHBondContact O-N 2.77Å
33	L	41.1	Very low	42.4	Very low	110 Å²	110	136.1 Å²	136.1	58%	0.576	68%	0.681	S	S	*	*			trans	-89.3	-27	-176.1	-88.7	155.6	0	0	0	112.2	R31 G36 E37	R31-L33 HydrophobicContact CB-CD1 3.84Å; R31-L33 HydrophobicContact CB-CG 4.23Å; R31-L33 PolarHBondContact O-N 3.43Å; L33-G36 PolarHBondContact O-N 2.79Å; L33-E37 PolarHBondContact O-N 3.07Å
34	L	42.8	Very low	42.7	Very low	131 Å²	131	130.9 Å²	130.9	69%	0.686	66%	0.658	S	S	*	*	H	α-helix	trans	-65.2	-40.4	179.8	-80.3	156.6	0	0	0	113.4	G36 E37 E38	L34-G36 VanDerWaalsContact C-N 3.26Å; L34-G36 PolarHBondContact O-N 3.49Å; L34-E37 PolarHBondContact O-N 3.12Å; L34-E38 PolarHBondContact O-N 2.89Å
35	D	39.9	Very low	42.9	Very low	116 Å²	116	128.4 Å²	128.4	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-68.3	-25.5	-179.9	-64.4	-19.4	0	0	0	112.9	L39	D35-L39 WeakPolarHBondContact O-CB 3.04Å; D35-L39 PolarHBondContact O-N 3.35Å
36	G	41.1	Very low	43.5	Very low	41 Å²	41	128.7 Å²	128.7	42%	0.423	64%	0.637	S	S	.	*	H	α-helix	trans	-78.4	-36.3	-179.8	0	0	0	0	0	112.8	L33 L34 L40	L33-G36 PolarHBondContact O-N 2.79Å; L34-G36 VanDerWaalsContact C-N 3.26Å; L34-G36 PolarHBondContact O-N 3.49Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 PolarHBondContact O-N 3.23Å
37	E	45.9	Very low	43.8	Very low	116 Å²	116	121.9 Å²	121.9	54%	0.542	62%	0.617	S	S	.	*	H	α-helix	trans	-71.1	-42.7	176.8	-71.9	176.2	179.6	0	0	111.1	L33 L34 L39 L40 D41	L33-E37 PolarHBondContact O-N 3.07Å; L34-E37 PolarHBondContact O-N 3.12Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 3.38Å; E37-L40 WeakPolarHBondContact O-CB 3.44Å; E37-L40 PolarHBondContact O-N 2.86Å; E37-L40 VanDerWaalsContact O-N 3.14Å; E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.12Å
38	E	48.7	Very low	44	Very low	137 Å²	137	119 Å²	119	64%	0.64	60%	0.601	S	S	*	*	H	α-helix	trans	-62	-37	173.9	-74.5	-172.7	178.2	0	0	112.7	L34 S42	L34-E38 PolarHBondContact O-N 2.89Å; E38-S42 WeakPolarHBondContact O-CB 3.33Å; E38-S42 PolarHBondContact O-N 3.49Å
39	L	48.1	Very low	44.6	Very low	119 Å²	119	118.3 Å²	118.3	62%	0.623	58%	0.576	S	S	*	*	H	α-helix	trans	-68.5	-38.9	175.5	-169.1	73.9	0	0	0	111.3	D35 E37 T43	D35-L39 WeakPolarHBondContact O-CB 3.04Å; D35-L39 PolarHBondContact O-N 3.35Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 3.38Å; L39-T43 VanDerWaalsContact O-CB 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.42Å; L39-T43 PolarHBondContact O-N 3.3Å; L39-T43 PolarHBondContact O-OG1 2.95Å
40	L	48.8	Very low	45	Very low	112 Å²	112	115.5 Å²	115.5	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-64.4	-47.7	175.6	-141.3	101.2	0	0	0	110.3	G36 E37 T43 I44	G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 PolarHBondContact O-N 3.23Å; E37-L40 WeakPolarHBondContact O-CB 3.44Å; E37-L40 PolarHBondContact O-N 2.86Å; E37-L40 VanDerWaalsContact O-N 3.14Å; L40-T43 PolarHBondContact O-N 3.42Å; L40-T43 VanDerWaalsContact O-N 3.16Å; L40-I44 HydrophobicContact CD2-CD1 4.01Å; L40-I44 HydrophobicContact CG-CD1 4.44Å; L40-I44 WeakPolarHBondContact O-CB 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.43Å
41	D	48.6	Very low	45	Very low	100 Å²	100	112.3 Å²	112.3	54%	0.535	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-41.6	179.3	-73.8	-16.4	0	0	0	111.7	E37 T43 I44 E45	E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.12Å; D41-T43 VanDerWaalsContact C-N 3.31Å; D41-T43 PolarHBondContact O-N 3.41Å; D41-I44 PolarHBondContact O-N 3.26Å; D41-E45 WeakPolarHBondContact O-CB 3.34Å; D41-E45 PolarHBondContact O-N 2.89Å
42	S	52.6	Low	45	Very low	53 Å²	53	113.3 Å²	113.3	37%	0.371	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-36.6	173.4	-176.6	0	0	0	0	112.3	E38 K46	E38-S42 WeakPolarHBondContact O-CB 3.33Å; E38-S42 PolarHBondContact O-N 3.49Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 2.65Å
43	T	52.3	Low	45.1	Very low	68 Å²	68	108.2 Å²	108.2	42%	0.417	55%	0.553	S	S	.	*	H	α-helix	trans	-72	-41	177.6	-56.1	0	0	0	0	110.8	L39 L40 D41 K46 I47	L39-T43 VanDerWaalsContact O-CB 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.42Å; L39-T43 PolarHBondContact O-N 3.3Å; L39-T43 PolarHBondContact O-OG1 2.95Å; L40-T43 PolarHBondContact O-N 3.42Å; L40-T43 VanDerWaalsContact O-N 3.16Å; D41-T43 VanDerWaalsContact C-N 3.31Å; D41-T43 PolarHBondContact O-N 3.41Å; T43-K46 PolarHBondContact O-N 2.89Å; T43-I47 HydrophobicContact CG2-CD1 4.13Å; T43-I47 WeakPolarHBondContact O-CD1 3.38Å; T43-I47 VanDerWaalsContact O-CG1 3.26Å; T43-I47 WeakPolarHBondContact O-CG1 3.49Å; T43-I47 PolarHBondContact O-N 2.84Å
44	I	49.4	Very low	44.9	Very low	76 Å²	76	105.6 Å²	105.6	39%	0.39	55%	0.548	S	S	.	.	H	α-helix	trans	-62.3	-46.2	173.9	-70.3	164.6	0	0	0	110.2	L40 D41 K46 I47 L48	L40-I44 HydrophobicContact CD2-CD1 4.01Å; L40-I44 HydrophobicContact CG-CD1 4.44Å; L40-I44 WeakPolarHBondContact O-CB 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.43Å; D41-I44 PolarHBondContact O-N 3.26Å; I44-K46 PolarHBondContact O-N 3.45Å; I44-I47 PolarHBondContact O-N 3.45Å; I44-L48 HydrophobicContact CG2-CD1 3.8Å; I44-L48 HydrophobicContact CG2-CG 4.27Å; I44-L48 WeakPolarHBondContact O-CB 3.33Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.49Å
45	E	47	Very low	44.6	Very low	127 Å²	127	106.7 Å²	106.7	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-59.7	-42.2	175.2	-100.7	-129.1	146.9	0	0	112.4	D41 I47 L48 N49	D41-E45 WeakPolarHBondContact O-CB 3.34Å; D41-E45 PolarHBondContact O-N 2.89Å; E45-I47 PolarHBondContact O-N 3.43Å; E45-L48 PolarHBondContact O-N 2.88Å; E45-N49 VanDerWaalsContact O-CB 3.29Å; E45-N49 WeakPolarHBondContact O-CB 3.26Å; E45-N49 PolarHBondContact O-N 3.21Å; E45-N49 PolarHBondContact O-ND2 3.42Å
46	K	49	Very low	44.5	Very low	137 Å²	137	107.5 Å²	107.5	60%	0.596	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-43.6	175	-80.3	173.9	-178.6	169.8	0	111.7	S42 T43 I44 N49 V50	S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 2.65Å; T43-K46 PolarHBondContact O-N 2.89Å; I44-K46 PolarHBondContact O-N 3.45Å; K46-N49 PolarHBondContact O-N 3.35Å; K46-V50 VanDerWaalsContact O-CG2 3.31Å; K46-V50 WeakPolarHBondContact O-CG2 3.27Å; K46-V50 PolarHBondContact O-N 2.87Å
47	I	46	Very low	44.4	Very low	89 Å²	89	111.9 Å²	111.9	46%	0.456	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-43	176.9	-67.8	164.3	0	0	0	110.7	T43 I44 E45 V50 R51	T43-I47 HydrophobicContact CG2-CD1 4.13Å; T43-I47 WeakPolarHBondContact O-CD1 3.38Å; T43-I47 VanDerWaalsContact O-CG1 3.26Å; T43-I47 WeakPolarHBondContact O-CG1 3.49Å; T43-I47 PolarHBondContact O-N 2.84Å; I44-I47 PolarHBondContact O-N 3.45Å; E45-I47 PolarHBondContact O-N 3.43Å; I47-V50 PolarHBondContact O-N 2.94Å; I47-R51 WeakPolarHBondContact O-CG 3.22Å; I47-R51 PolarHBondContact O-N 3.5Å
48	L	41.6	Very low	43.9	Very low	83 Å²	83	109.9 Å²	109.9	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-34.1	177.6	-68.8	175.1	0	0	0	112.4	I44 E45 R51 R52	I44-L48 HydrophobicContact CG2-CD1 3.8Å; I44-L48 HydrophobicContact CG2-CG 4.27Å; I44-L48 WeakPolarHBondContact O-CB 3.33Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.49Å; E45-L48 PolarHBondContact O-N 2.88Å; L48-R51 CarbonylContact O-C 3.59Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 3.49Å; L48-R52 PolarHBondContact O-N 2.95Å
49	N	46.1	Very low	43.2	Very low	75 Å²	75	113.8 Å²	113.8	40%	0.401	59%	0.594	S	S	.	*	H	α-helix	trans	-69.3	-40.1	173.7	-81.7	-29.9	0	0	0	111.8	E45 K46 R51 R52 V53	E45-N49 VanDerWaalsContact O-CB 3.29Å; E45-N49 WeakPolarHBondContact O-CB 3.26Å; E45-N49 PolarHBondContact O-N 3.21Å; E45-N49 PolarHBondContact O-ND2 3.42Å; K46-N49 PolarHBondContact O-N 3.35Å; N49-R51 PolarHBondContact O-N 2.86Å; N49-R52 PolarHBondContact O-N 2.71Å; N49-R52 VanDerWaalsContact O-N 3.12Å; N49-V53 WeakPolarHBondContact O-CG2 3.46Å; N49-V53 PolarHBondContact O-N 2.89Å
50	V	43.8	Very low	42.8	Very low	110 Å²	110	114.6 Å²	114.6	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-60	-38.5	171	171.7	0	0	0	0	110.7	K46 I47 V53	K46-V50 VanDerWaalsContact O-CG2 3.31Å; K46-V50 WeakPolarHBondContact O-CG2 3.27Å; K46-V50 PolarHBondContact O-N 2.87Å; I47-V50 PolarHBondContact O-N 2.94Å; V50-V53 PolarHBondContact O-N 2.85Å
51	R	36.8	Very low	42.1	Very low	142 Å²	142	115.5 Å²	115.5	54%	0.536	61%	0.611	S	S	.	*	H	α-helix	trans	-69	-31.6	173.8	-73.1	178	176.8	-174.4	-1	113.8	I47 L48 N49 A54 Y96	I47-R51 WeakPolarHBondContact O-CG 3.22Å; I47-R51 PolarHBondContact O-N 3.5Å; L48-R51 CarbonylContact O-C 3.59Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 3.49Å; N49-R51 PolarHBondContact O-N 2.86Å; R51-A54 WeakPolarHBondContact O-CB 3.25Å; R51-A54 PolarHBondContact O-N 2.94Å; R51-Y96 PolarHBondContact NH2-OH 3.44Å
52	R	38.4	Very low	41.5	Very low	208 Å²	208	115.5 Å²	115.5	79%	0.785	62%	0.619	S	S	*	*	H	α-helix	trans	-76.2	-22.7	176.4	-83.4	-174.3	-171.5	-179.4	5.7	114	L48 N49 A54	L48-R52 PolarHBondContact O-N 2.95Å; N49-R52 PolarHBondContact O-N 2.71Å; N49-R52 VanDerWaalsContact O-N 3.12Å; R52-A54 VanDerWaalsContact C-N 3.26Å
53	V	39.8	Very low	40.5	Very low	122 Å²	122	116.8 Å²	116.8	74%	0.739	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-6.9	175.8	-179.3	0	0	0	0	111.5	N49 V50 E55	N49-V53 WeakPolarHBondContact O-CG2 3.46Å; N49-V53 PolarHBondContact O-N 2.89Å; V50-V53 PolarHBondContact O-N 2.85Å; V53-E55 PolarHBondContact O-N 2.75Å
54	A	36	Very low	39.2	Very low	56 Å²	56	116.2 Å²	116.2	46%	0.463	64%	0.635	S	S	.	*	S	Bend	trans	-61.5	122.9	164.6	0	0	0	0	0	109.3	R51 R52	R51-A54 WeakPolarHBondContact O-CB 3.25Å; R51-A54 PolarHBondContact O-N 2.94Å; R52-A54 VanDerWaalsContact C-N 3.26Å
55	E	36.9	Very low	38.1	Very low	154 Å²	154	119.7 Å²	119.7	72%	0.72	66%	0.655	S	S	*	*			trans	-52.4	159.9	-165.8	-79.2	-161.2	154.9	0	0	115.8	V53 D57 G58	V53-E55 PolarHBondContact O-N 2.75Å; E55-D57 PolarHBondContact O-N 3.26Å; E55-G58 PolarHBondContact O-N 3.16Å
56	P	38	Very low	37.2	Very low	133 Å²	133	117.2 Å²	117.2	86%	0.864	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-5.4	-175.3	-16.2	29.9	0	0	0	115.4
57	D	38.7	Very low	36.4	Very low	132 Å²	132	113.6 Å²	113.6	71%	0.706	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	6.1	-178.1	-76.1	-8.4	0	0	0	113.9	E55 R59	E55-D57 PolarHBondContact O-N 3.26Å; D57-R59 PolarHBondContact O-N 3.05Å
58	G	35.9	Very low	35.6	Very low	74 Å²	74	117.9 Å²	117.9	76%	0.763	68%	0.68	S	S	*	*			trans	62.8	12.5	172.2	0	0	0	0	0	114.9	E55 L60	E55-G58 PolarHBondContact O-N 3.16Å; G58-L60 PolarHBondContact O-N 2.83Å
59	R	32.5	Very low	35.2	Very low	219 Å²	219	119.9 Å²	119.9	83%	0.826	69%	0.689	S	S	*	*			trans	-85.5	98	176.7	-78.6	-174.3	173.6	-141.4	0.4	110.3	D57	D57-R59 PolarHBondContact O-N 3.05Å
60	L	40.1	Very low	34.6	Very low	137 Å²	137	124 Å²	124	72%	0.717	71%	0.71	S	S	*	*			trans	-59.2	148.1	142.1	-63.6	172.2	0	0	0	107.6	G58 S62	G58-L60 PolarHBondContact O-N 2.83Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 3.29Å
61	P	34.8	Very low	34.2	Very low	130 Å²	130	121.5 Å²	121.5	84%	0.844	70%	0.696	S	S	*	*			trans	-54.2	106	169	21.6	-30	0	0	0	108	S63	P61-S63 PolarHBondContact O-N 3.38Å; P61-S63 VanDerWaalsContact O-N 3.09Å
62	S	35.2	Very low	34.1	Very low	101 Å²	101	124 Å²	124	71%	0.706	71%	0.705	S	S	*	*			trans	-63.5	111.9	-173.4	178.3	0	0	0	0	108.4	L60 G64	L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 3.29Å; S62-G64 PolarHBondContact O-N 3.32Å; S62-G64 PolarHBondContact OG-N 2.98Å
63	S	31.8	Very low	34.3	Very low	79 Å²	79	116.6 Å²	116.6	55%	0.552	68%	0.684	S	S	*	*			trans	-61.8	77.1	147.4	157.9	0	0	0	0	107.1	P61 N65 G67	P61-S63 PolarHBondContact O-N 3.38Å; P61-S63 VanDerWaalsContact O-N 3.09Å; S63-N65 PolarHBondContact O-N 2.66Å; S63-G67 PolarHBondContact OG-N 2.84Å
64	G	25.5	Very low	34.6	Very low	56 Å²	56	113.5 Å²	113.5	58%	0.577	67%	0.671	S	S	*	*			trans	-58.2	128.6	164.8	0	0	0	0	0	108.1	S62	S62-G64 PolarHBondContact O-N 3.32Å; S62-G64 PolarHBondContact OG-N 2.98Å
65	N	26.8	Very low	35.1	Very low	150 Å²	150	115 Å²	115	80%	0.802	67%	0.669	S	S	*	*	S	Bend	trans	70.6	77.7	-172.1	-67.1	-5.7	0	0	0	115.6	S63 G67	S63-N65 PolarHBondContact O-N 2.66Å; N65-G67 PolarHBondContact O-N 3.36Å
66	G	27.9	Very low	35.7	Very low	74 Å²	74	109.3 Å²	109.3	76%	0.763	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.2	57	148	0	0	0	0	0	115.4	K68	G66-K68 PolarHBondContact O-N 2.82Å
67	G	31.5	Very low	36.5	Very low	62 Å²	62	106 Å²	106	64%	0.639	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.4	17.4	163.6	0	0	0	0	0	117	S63 N65 M69	S63-G67 PolarHBondContact OG-N 2.84Å; N65-G67 PolarHBondContact O-N 3.36Å; G67-M69 PolarHBondContact O-N 3.35Å; G67-M69 VanDerWaalsContact O-N 3.16Å
68	K	29.7	Very low	37.3	Very low	179 Å²	179	103.1 Å²	103.1	78%	0.778	60%	0.599	S	S	*	*			trans	-82.9	93.8	171.3	-79.2	-171.1	176.2	-177.6	0	107.2	G66 D70	G66-K68 PolarHBondContact O-N 2.82Å; K68-D70 PolarHBondContact O-N 3.33Å
69	M	33.1	Very low	38.3	Very low	125 Å²	125	104 Å²	104	62%	0.616	59%	0.594	S	S	*	*			trans	-71.6	109.2	164.9	-139.7	164.9	133.5	0	0	106.1	G67 V71	G67-M69 PolarHBondContact O-N 3.35Å; G67-M69 VanDerWaalsContact O-N 3.16Å; M69-V71 HydrophobicContact CE-CG2 4.37Å; M69-V71 HydrophobicContact CG-CG2 4.37Å; M69-V71 PolarHBondContact O-N 2.99Å
70	D	33.9	Very low	39.3	Very low	160 Å²	160	97.6 Å²	97.6	86%	0.856	58%	0.575	S	S	*	*			trans	-68.4	58.6	174.7	-75.9	-33.2	0	0	0	110.8	K68	K68-D70 PolarHBondContact O-N 3.33Å
71	V	35.6	Very low	40	Very low	59 Å²	59	92.8 Å²	92.8	36%	0.358	55%	0.552	S	S	.	*			trans	-130.1	103.4	174.1	-172.3	0	0	0	0	107.3	M69 P73 A74 L140	M69-V71 HydrophobicContact CE-CG2 4.37Å; M69-V71 HydrophobicContact CG-CG2 4.37Å; M69-V71 PolarHBondContact O-N 2.99Å; V71-P73 CarbonylContact O-C 3.49Å; V71-A74 PolarHBondContact O-N 3.43Å; V71-L140 HydrophobicContact CG1-CD1 3.82Å; V71-L140 HydrophobicContact CG1-CD2 4.43Å
72	W	33.6	Very low	40.8	Very low	195 Å²	195	87.4 Å²	87.4	74%	0.739	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135.9	164.6	-101.8	58	0	0	0	110.9	R112	W72-R112 VanDerWaalsContact CZ2-NH1 3.33Å
73	P	41.8	Very low	41.3	Very low	52 Å²	52	91.1 Å²	91.1	34%	0.338	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.9	99.5	-17.5	28.4	-9.9	0	0	0	109.9	V71 E75 Y76	V71-P73 CarbonylContact O-C 3.49Å; P73-E75 PolarHBondContact O-N 3.16Å; P73-Y76 HydrophobicContact CB-CD2 3.81Å; P73-Y76 HydrophobicContact CB-CE2 3.82Å; P73-Y76 HydrophobicContact CG-CD2 3.79Å; P73-Y76 HydrophobicContact CG-CE2 3.93Å; P73-Y76 PolarHBondContact O-N 3.4Å
74	A	47.2	Very low	42.3	Very low	57 Å²	57	94.6 Å²	94.6	47%	0.471	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-2.1	164.7	0	0	0	0	0	114.1	V71 Y76	V71-A74 PolarHBondContact O-N 3.43Å; A74-Y76 VanDerWaalsContact C-N 3.25Å; A74-Y76 PolarHBondContact O-N 3.03Å
75	E	46.3	Very low	43.5	Very low	87 Å²	87	93.7 Å²	93.7	41%	0.407	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.9	177.9	-64.8	-178.1	158.8	0	0	113.6	P73 F78 R112	P73-E75 PolarHBondContact O-N 3.16Å; E75-F78 WeakPolarHBondContact O-CE2 3.18Å; E75-F78 WeakPolarHBondContact O-CZ 3.49Å; E75-R112 IonicContact OE1-CZ 3.29Å; E75-R112 VanDerWaalsContact OE1-CZ 3.29Å; E75-R112 IonicContact OE1-NE 3.55Å; E75-R112 IonicContact OE1-NH2 2.8Å; E75-R112 PolarHBondContact OE1-NH2 3.01Å
76	Y	48.6	Very low	44.7	Very low	35 Å²	35	91.7 Å²	91.7	14%	0.137	50%	0.502	C	S	.	.	S	Bend	trans	-111.8	-13.5	-179.1	-56.4	-84.2	0	0	0	113	P73 A74 F78 L100 A101 F144	P73-Y76 HydrophobicContact CB-CD2 3.81Å; P73-Y76 HydrophobicContact CB-CE2 3.82Å; P73-Y76 HydrophobicContact CG-CD2 3.79Å; P73-Y76 HydrophobicContact CG-CE2 3.93Å; P73-Y76 PolarHBondContact O-N 3.4Å; A74-Y76 VanDerWaalsContact C-N 3.25Å; A74-Y76 PolarHBondContact O-N 3.03Å; Y76-F78 WeakPolarHBondContact O-CD2 3.31Å; Y76-L100 CarbonylContact O-C 3.46Å; Y76-L100 WeakPolarHBondContact O-CA 3.27Å; Y76-A101 HydrophobicContact CD1-CB 4.3Å; Y76-A101 PolarHBondContact O-N 3.5Å; Y76-F144 HydrophobicContact CD1-CZ 4.26Å; Y76-F144 HydrophobicContact CG-CE2 4.34Å; Y76-F144 HydrophobicContact CG-CZ 4.28Å
77	V	56	Low	46.6	Very low	64 Å²	64	93.7 Å²	93.7	39%	0.388	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112	-174.4	-165.2	0	0	0	0	108.8	M98 L100	V77-M98 HydrophobicContact CG1-CB 4.34Å; V77-M98 HydrophobicContact CG1-SD 3.76Å; V77-L100 HydrophobicContact CB-CD2 4.16Å; V77-L100 HydrophobicContact CG1-CD2 4.09Å; V77-L100 HydrophobicContact CG2-CD2 3.61Å
78	F	54.5	Low	47.6	Very low	71 Å²	71	92.5 Å²	92.5	31%	0.311	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.9	-177.6	-56.5	-93.2	0	0	0	110.3	E75 Y76 I80 P82 M98 Y99 A101	E75-F78 WeakPolarHBondContact O-CE2 3.18Å; E75-F78 WeakPolarHBondContact O-CZ 3.49Å; Y76-F78 WeakPolarHBondContact O-CD2 3.31Å; F78-I80 WeakPolarHBondContact CB-O 3.26Å; F78-P82 HydrophobicContact CD2-CB 4.22Å; F78-P82 HydrophobicContact CD2-CG 3.78Å; F78-P82 HydrophobicContact CE2-CB 4.14Å; F78-P82 HydrophobicContact CE2-CG 3.9Å; F78-P82 HydrophobicContact CG-CB 4.49Å; F78-P82 HydrophobicContact CG-CG 4.36Å; F78-P82 HydrophobicContact CZ-CB 4.32Å; F78-M98 CarbonylContact O-C 3.56Å; F78-Y99 PolarHBondContact N-O 3.38Å; F78-Y99 PolarHBondContact O-N 3.46Å; F78-A101 HydrophobicContact CE2-CB 3.85Å
79	S	58.8	Low	49	Very low	92 Å²	92	85.4 Å²	85.4	64%	0.643	44%	0.44	S	S	*	.	S	Bend	trans	-72.2	-18.6	166.9	48.6	0	0	0	0	112.3	Y99	S79-Y99 WeakPolarHBondContact O-CE2 3.32Å
80	I	52.1	Low	49.8	Very low	85 Å²	85	81.2 Å²	81.2	44%	0.436	42%	0.421	S	S	.	.	S	Bend	trans	-129.7	136.2	-179.4	-59.2	174.8	0	0	0	107.8	F78	F78-I80 WeakPolarHBondContact CB-O 3.26Å
81	P	54.4	Low	50.6	Low	35 Å²	35	78.6 Å²	78.6	23%	0.227	41%	0.411	C	S	.	.			trans	-62.4	129.9	-175.4	7.4	-5.5	0	0	0	112.1	W87 Y99	P81-W87 HydrophobicContact CB-CD2 3.5Å; P81-W87 VanDerWaalsContact CB-CD2 3.5Å; P81-W87 HydrophobicContact CB-CE3 4.02Å; P81-W87 HydrophobicContact CB-CG 3.97Å; P81-W87 HydrophobicContact CB-CH2 3.91Å; P81-W87 HydrophobicContact CB-CZ2 3.38Å; P81-W87 HydrophobicContact CB-CZ3 4.21Å; P81-W87 HydrophobicContact CG-CH2 4.1Å; P81-W87 HydrophobicContact CG-CZ2 3.84Å; P81-Y99 HydrophobicContact CB-CD1 3.69Å; P81-Y99 HydrophobicContact CB-CD2 4.33Å; P81-Y99 HydrophobicContact CB-CE1 4.05Å; P81-Y99 HydrophobicContact CB-CG 3.82Å; P81-Y99 VanDerWaalsContact CD-CE2 3.45Å; P81-Y99 HydrophobicContact CG-CD1 3.82Å; P81-Y99 HydrophobicContact CG-CD2 4.16Å; P81-Y99 HydrophobicContact CG-CE1 3.64Å; P81-Y99 HydrophobicContact CG-CE2 4.04Å; P81-Y99 HydrophobicContact CG-CG 4.05Å
82	P	52.7	Low	51.1	Low	17 Å²	17	77.6 Å²	77.6	11%	0.11	40%	0.403	C	S	.	.			trans	-68.1	142.3	-179.2	26.3	-33	0	0	0	111.7	F78 W87 A101	F78-P82 HydrophobicContact CD2-CB 4.22Å; F78-P82 HydrophobicContact CD2-CG 3.78Å; F78-P82 HydrophobicContact CE2-CB 4.14Å; F78-P82 HydrophobicContact CE2-CG 3.9Å; F78-P82 HydrophobicContact CG-CB 4.49Å; F78-P82 HydrophobicContact CG-CG 4.36Å; F78-P82 HydrophobicContact CZ-CB 4.32Å; P82-W87 HydrophobicContact CG-CB 3.96Å; P82-W87 HydrophobicContact CG-CG 4.27Å; P82-W87 PolarHBondContact O-NE1 2.82Å; P82-A101 HydrophobicContact CG-CB 4.17Å
83	R	44.9	Very low	51.5	Low	180 Å²	180	73.4 Å²	73.4	68%	0.679	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-29.3	-172.4	-73.7	-173.8	174.4	-142.6	-3.7	115
84	N	52.6	Low	51.5	Low	151 Å²	151	77.4 Å²	77.4	81%	0.807	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	27	-168.2	-59.5	-15.9	0	0	0	111.7
85	S	51.7	Low	51.2	Low	37 Å²	37	80.6 Å²	80.6	26%	0.259	42%	0.421	S	S	.	.	S	Bend	trans	-152	141.6	-177.2	-10.4	0	0	0	0	107.8	W87	S85-W87 PolarHBondContact O-N 3.2Å
86	D	51.5	Low	51.3	Low	109 Å²	109	84.9 Å²	84.9	58%	0.583	43%	0.434	S	S	*	.			trans	-59.4	138	165.7	-75	-22.3	0	0	0	109.2	A101 M102 E103	D86-A101 CarbonylContact O-C 3.54Å; D86-A101 WeakPolarHBondContact O-CA 3.31Å; D86-M102 HydrophobicContact CB-CB 4.03Å; D86-M102 WeakPolarHBondContact O-CB 3.27Å; D86-M102 PolarHBondContact O-N 3.36Å; D86-E103 HydrophobicContact CB-CG 4.45Å
87	W	66.9	Low	51.4	Low	115 Å²	115	90 Å²	90	44%	0.436	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.6	-179.6	56.8	-99	0	0	0	112.9	P81 P82 S85 A89 Y99 L100	P81-W87 HydrophobicContact CB-CD2 3.5Å; P81-W87 VanDerWaalsContact CB-CD2 3.5Å; P81-W87 HydrophobicContact CB-CE3 4.02Å; P81-W87 HydrophobicContact CB-CG 3.97Å; P81-W87 HydrophobicContact CB-CH2 3.91Å; P81-W87 HydrophobicContact CB-CZ2 3.38Å; P81-W87 HydrophobicContact CB-CZ3 4.21Å; P81-W87 HydrophobicContact CG-CH2 4.1Å; P81-W87 HydrophobicContact CG-CZ2 3.84Å; P82-W87 HydrophobicContact CG-CB 3.96Å; P82-W87 HydrophobicContact CG-CG 4.27Å; P82-W87 PolarHBondContact O-NE1 2.82Å; S85-W87 PolarHBondContact O-N 3.2Å; W87-A89 HydrophobicContact CZ3-CB 4.22Å; W87-Y99 HydrophobicContact CD2-CD1 4.19Å; W87-Y99 AromaticContact CE3-CD1 3.45Å; W87-Y99 HydrophobicContact CE3-CD1 3.45Å; W87-Y99 VanDerWaalsContact CE3-CD1 3.45Å; W87-Y99 HydrophobicContact CE3-CE1 4.12Å; W87-Y99 HydrophobicContact CE3-CG 4.41Å; W87-Y99 HydrophobicContact CH2-CD1 4.16Å; W87-Y99 HydrophobicContact CH2-CE1 4.02Å; W87-Y99 AromaticContact CZ3-CD1 3.43Å; W87-Y99 HydrophobicContact CZ3-CD1 3.43Å; W87-Y99 VanDerWaalsContact CZ3-CD1 3.43Å; W87-Y99 AromaticContact CZ3-CE1 3.6Å; W87-Y99 HydrophobicContact CZ3-CE1 3.6Å; W87-L100 CarbonylContact C-O 3.44Å; W87-L100 WeakPolarHBondContact CA-O 3.43Å; W87-L100 WeakPolarHBondContact CB-O 3.42Å
88	I	54.1	Low	51.6	Low	38 Å²	38	89 Å²	89	20%	0.195	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135	172.7	-167	166.6	0	0	0	111	Y99 L100 M102 A151 N155	I88-Y99 CarbonylContact O-C 3.58Å; I88-Y99 WeakPolarHBondContact O-CA 3.28Å; I88-L100 HydrophobicContact CG2-CB 3.86Å; I88-L100 HydrophobicContact CG2-CD1 4.38Å; I88-L100 PolarHBondContact N-O 3.34Å; I88-L100 PolarHBondContact O-N 2.85Å; I88-M102 HydrophobicContact CB-SD 4.13Å; I88-M102 HydrophobicContact CG2-CG 4.49Å; I88-M102 HydrophobicContact CG2-SD 3.73Å; I88-A151 HydrophobicContact CD1-CB 4.38Å; I88-N155 HydrophobicContact CD1-CB 4.46Å
89	A	57.4	Low	51.8	Low	29 Å²	29	87.1 Å²	87.1	24%	0.24	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.8	176.2	0	0	0	0	0	111	W87 R97 M98 Y99	W87-A89 HydrophobicContact CZ3-CB 4.22Å; A89-R97 HydrophobicContact CB-CG 4.32Å; A89-M98 CarbonylContact C-O 3.54Å; A89-M98 VanDerWaalsContact CA-O 3.31Å; A89-M98 WeakPolarHBondContact CA-O 3.44Å; A89-Y99 HydrophobicContact CB-CD1 3.79Å; A89-Y99 HydrophobicContact CB-CE1 3.72Å
90	V	50	Low	51.7	Low	38 Å²	38	84.6 Å²	84.6	23%	0.23	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.5	176.1	-175.3	0	0	0	0	108.7	L92 M98 L100	V90-L92 HydrophobicContact CG1-CD2 4.17Å; V90-M98 PolarHBondContact N-O 2.84Å; V90-M98 PolarHBondContact O-N 2.72Å; V90-L100 HydrophobicContact CG2-CD1 3.46Å; V90-L100 VanDerWaalsContact CG2-CD1 3.46Å; V90-L100 HydrophobicContact CG2-CG 3.89Å
91	T	51.4	Low	51.9	Low	104 Å²	104	80.8 Å²	80.8	64%	0.638	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.4	174.9	-44	0	0	0	0	108.5
92	L	47	Very low	51.8	Low	38 Å²	38	81 Å²	81	20%	0.199	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.3	179.5	-65.9	-177.9	0	0	0	109.7	V90 D94 Y95 M98 W127	V90-L92 HydrophobicContact CG1-CD2 4.17Å; L92-D94 PolarHBondContact O-N 2.99Å; L92-D94 VanDerWaalsContact O-N 3.13Å; L92-Y95 HydrophobicContact CD1-CD2 4.45Å; L92-Y95 HydrophobicContact CD1-CG 4.48Å; L92-Y95 PolarHBondContact O-N 2.93Å; L92-M98 HydrophobicContact CD1-CE 4.37Å; L92-M98 HydrophobicContact CD1-CG 4.17Å; L92-M98 HydrophobicContact CD1-SD 3.72Å; L92-W127 HydrophobicContact CD2-CH2 3.34Å; L92-W127 HydrophobicContact CD2-CZ2 3.15Å
93	P	40.8	Very low	51.7	Low	108 Å²	108	85 Å²	85	70%	0.701	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.7	-177.4	-25.8	32.6	0	0	0	114.6	W127	P93-W127 HydrophobicContact CG-CH2 4.35Å; P93-W127 HydrophobicContact CG-CZ3 4.3Å
94	D	43.1	Very low	51.7	Low	136 Å²	136	80.6 Å²	80.6	73%	0.727	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	1.9	-175.4	-59.2	-39.6	0	0	0	113.9	L92	L92-D94 PolarHBondContact O-N 2.99Å; L92-D94 VanDerWaalsContact O-N 3.13Å
95	Y	40.3	Very low	51.1	Low	124 Å²	124	77 Å²	77	49%	0.486	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.4	-178.7	-75.1	-92	0	0	0	111.3	L92 M98	L92-Y95 HydrophobicContact CD1-CD2 4.45Å; L92-Y95 HydrophobicContact CD1-CG 4.48Å; L92-Y95 PolarHBondContact O-N 2.93Å; Y95-M98 HydrophobicContact CD1-CE 3.98Å; Y95-M98 HydrophobicContact CG-CE 4.2Å
96	Y	49.4	Very low	50.5	Low	176 Å²	176	82.6 Å²	82.6	69%	0.69	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50.4	156.4	167.6	-62.3	-81.2	0	0	0	110.9	R51 M98	R51-Y96 PolarHBondContact NH2-OH 3.44Å; Y96-M98 WeakPolarHBondContact O-CG 3.48Å; Y96-M98 PolarHBondContact O-N 2.75Å
97	R	50.6	Low	49.7	Very low	144 Å²	144	84.6 Å²	84.6	54%	0.543	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	124	178.2	-164.9	179.4	-163.7	-160.9	3.9	110.4	A89	A89-R97 HydrophobicContact CB-CG 4.32Å
98	M	58.5	Low	48.4	Very low	42 Å²	42	81.4 Å²	81.4	21%	0.207	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	164.7	177.1	-65.7	-158.1	169.5	0	0	110.8	V77 F78 A89 V90 L92 Y95 Y96	V77-M98 HydrophobicContact CG1-CB 4.34Å; V77-M98 HydrophobicContact CG1-SD 3.76Å; F78-M98 CarbonylContact O-C 3.56Å; A89-M98 CarbonylContact C-O 3.54Å; A89-M98 VanDerWaalsContact CA-O 3.31Å; A89-M98 WeakPolarHBondContact CA-O 3.44Å; V90-M98 PolarHBondContact N-O 2.84Å; V90-M98 PolarHBondContact O-N 2.72Å; L92-M98 HydrophobicContact CD1-CE 4.37Å; L92-M98 HydrophobicContact CD1-CG 4.17Å; L92-M98 HydrophobicContact CD1-SD 3.72Å; Y95-M98 HydrophobicContact CD1-CE 3.98Å; Y95-M98 HydrophobicContact CG-CE 4.2Å; Y96-M98 WeakPolarHBondContact O-CG 3.48Å; Y96-M98 PolarHBondContact O-N 2.75Å
99	Y	58.9	Low	47.3	Very low	32 Å²	32	87.8 Å²	87.8	13%	0.125	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.6	-175.3	-57.2	-86.7	0	0	0	109.9	F78 S79 P81 W87 I88 A89	F78-Y99 PolarHBondContact N-O 3.38Å; F78-Y99 PolarHBondContact O-N 3.46Å; S79-Y99 WeakPolarHBondContact O-CE2 3.32Å; P81-Y99 HydrophobicContact CB-CD1 3.69Å; P81-Y99 HydrophobicContact CB-CD2 4.33Å; P81-Y99 HydrophobicContact CB-CE1 4.05Å; P81-Y99 HydrophobicContact CB-CG 3.82Å; P81-Y99 VanDerWaalsContact CD-CE2 3.45Å; P81-Y99 HydrophobicContact CG-CD1 3.82Å; P81-Y99 HydrophobicContact CG-CD2 4.16Å; P81-Y99 HydrophobicContact CG-CE1 3.64Å; P81-Y99 HydrophobicContact CG-CE2 4.04Å; P81-Y99 HydrophobicContact CG-CG 4.05Å; W87-Y99 HydrophobicContact CD2-CD1 4.19Å; W87-Y99 AromaticContact CE3-CD1 3.45Å; W87-Y99 HydrophobicContact CE3-CD1 3.45Å; W87-Y99 VanDerWaalsContact CE3-CD1 3.45Å; W87-Y99 HydrophobicContact CE3-CE1 4.12Å; W87-Y99 HydrophobicContact CE3-CG 4.41Å; W87-Y99 HydrophobicContact CH2-CD1 4.16Å; W87-Y99 HydrophobicContact CH2-CE1 4.02Å; W87-Y99 AromaticContact CZ3-CD1 3.43Å; W87-Y99 HydrophobicContact CZ3-CD1 3.43Å; W87-Y99 VanDerWaalsContact CZ3-CD1 3.43Å; W87-Y99 AromaticContact CZ3-CE1 3.6Å; W87-Y99 HydrophobicContact CZ3-CE1 3.6Å; I88-Y99 CarbonylContact O-C 3.58Å; I88-Y99 WeakPolarHBondContact O-CA 3.28Å; A89-Y99 HydrophobicContact CB-CD1 3.79Å; A89-Y99 HydrophobicContact CB-CE1 3.72Å
100	L	57.4	Low	46.1	Very low	39 Å²	39	95.3 Å²	95.3	20%	0.204	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.5	179.6	-65.2	174.3	0	0	0	110.3	Y76 V77 W87 I88 V90	Y76-L100 CarbonylContact O-C 3.46Å; Y76-L100 WeakPolarHBondContact O-CA 3.27Å; V77-L100 HydrophobicContact CB-CD2 4.16Å; V77-L100 HydrophobicContact CG1-CD2 4.09Å; V77-L100 HydrophobicContact CG2-CD2 3.61Å; W87-L100 CarbonylContact C-O 3.44Å; W87-L100 WeakPolarHBondContact CA-O 3.43Å; W87-L100 WeakPolarHBondContact CB-O 3.42Å; I88-L100 HydrophobicContact CG2-CB 3.86Å; I88-L100 HydrophobicContact CG2-CD1 4.38Å; I88-L100 PolarHBondContact N-O 3.34Å; I88-L100 PolarHBondContact O-N 2.85Å; V90-L100 HydrophobicContact CG2-CD1 3.46Å; V90-L100 VanDerWaalsContact CG2-CD1 3.46Å; V90-L100 HydrophobicContact CG2-CG 3.89Å
101	A	55.9	Low	45.2	Very low	5 Å²	5	101.9 Å²	101.9	4%	0.041	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.2	170.9	0	0	0	0	0	111.1	Y76 F78 P82 D86	Y76-A101 HydrophobicContact CD1-CB 4.3Å; Y76-A101 PolarHBondContact O-N 3.5Å; F78-A101 HydrophobicContact CE2-CB 3.85Å; P82-A101 HydrophobicContact CG-CB 4.17Å; D86-A101 CarbonylContact O-C 3.54Å; D86-A101 WeakPolarHBondContact O-CA 3.31Å
102	M	53.2	Low	44.3	Very low	39 Å²	39	102.5 Å²	102.5	19%	0.192	50%	0.496	C	S	.	.			trans	-94.5	-16.5	-170.5	-64.1	-80.7	-71.9	0	0	113.4	D86 I88 L148 K152	D86-M102 HydrophobicContact CB-CB 4.03Å; D86-M102 WeakPolarHBondContact O-CB 3.27Å; D86-M102 PolarHBondContact O-N 3.36Å; I88-M102 HydrophobicContact CB-SD 4.13Å; I88-M102 HydrophobicContact CG2-CG 4.49Å; I88-M102 HydrophobicContact CG2-SD 3.73Å; M102-L148 HydrophobicContact CB-CD1 4.41Å; M102-L148 HydrophobicContact CE-CD1 3.99Å; M102-L148 HydrophobicContact CG-CD1 4.46Å; M102-L148 HydrophobicContact SD-CD1 3.36Å; M102-L148 WeakPolarHBondContact SD-CD1 3.45Å; M102-L148 HydrophobicContact SD-CG 4.48Å; M102-K152 HydrophobicContact CE-CD 4.36Å; M102-K152 HydrophobicContact CE-CG 3.79Å
103	E	49.6	Very low	43.4	Very low	100 Å²	100	108.9 Å²	108.9	47%	0.467	53%	0.529	S	S	.	.			trans	-90.5	114.9	-177.8	-70.1	-173	151.9	0	0	111.7	D86 T105	D86-E103 HydrophobicContact CB-CG 4.45Å; E103-T105 PolarHBondContact O-N 2.85Å; E103-T105 VanDerWaalsContact O-N 3.09Å
104	S	44.4	Very low	42.7	Very low	89 Å²	89	109.2 Å²	109.2	62%	0.622	53%	0.533	S	S	*	.			trans	-65.4	100.3	163.1	171.8	0	0	0	0	108.1	E106	S104-E106 PolarHBondContact O-N 3.48Å; S104-E106 VanDerWaalsContact O-N 3.11Å
105	T	40.4	Very low	42	Very low	76 Å²	76	111.6 Å²	111.6	47%	0.466	54%	0.539	S	S	.	.			trans	-76.6	98.4	164.5	52.3	0	0	0	0	107.2	E103 N107 S108	E103-T105 PolarHBondContact O-N 2.85Å; E103-T105 VanDerWaalsContact O-N 3.09Å; T105-N107 PolarHBondContact O-N 2.92Å; T105-S108 PolarHBondContact O-N 3.5Å; T105-S108 PolarHBondContact O-OG 3.24Å
106	E	39.4	Very low	41.3	Very low	154 Å²	154	113.9 Å²	113.9	72%	0.72	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-51.6	-16.2	164.8	-71	-163.3	135.2	0	0	112.3	S104 S108	S104-E106 PolarHBondContact O-N 3.48Å; S104-E106 VanDerWaalsContact O-N 3.11Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.22Å
107	N	35.6	Very low	40.1	Very low	151 Å²	151	113.1 Å²	113.1	81%	0.807	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-77.4	-0.7	174.6	-75	-0.9	0	0	0	115.9	T105	T105-N107 PolarHBondContact O-N 2.92Å
108	S	38	Very low	39.1	Very low	48 Å²	48	111.1 Å²	111.1	34%	0.336	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-87.5	-6.9	176.4	56.1	0	0	0	0	114.1	T105 E106 E110	T105-S108 PolarHBondContact O-N 3.5Å; T105-S108 PolarHBondContact O-OG 3.24Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.22Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.33Å
109	K	31.9	Very low	37.5	Very low	172 Å²	172	117 Å²	117	75%	0.748	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.6	179.6	-79.9	178.4	178.7	167.7	0	114.8
110	E	32.7	Very low	36	Very low	187 Å²	187	121.7 Å²	121.7	87%	0.874	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-3.4	-176	-68.9	-171.2	160.5	0	0	114.7	S108	S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.33Å
111	H	31.3	Very low	34.4	Very low	175 Å²	175	123.5 Å²	123.5	81%	0.81	67%	0.674	S	S	*	*	S	Bend	trans	-111.8	3.7	-172.9	-130.7	-81.1	0	0	0	116.7
112	R	32.1	Very low	33.1	Very low	117 Å²	117	129.1 Å²	129.1	44%	0.442	71%	0.713	S	S	.	*			trans	-141.6	61	-176.8	-65.1	-169.4	-170.1	-176.9	-1.5	114.5	W72 E75	W72-R112 VanDerWaalsContact CZ2-NH1 3.33Å; E75-R112 IonicContact OE1-CZ 3.29Å; E75-R112 VanDerWaalsContact OE1-CZ 3.29Å; E75-R112 IonicContact OE1-NE 3.55Å; E75-R112 IonicContact OE1-NH2 2.8Å; E75-R112 PolarHBondContact OE1-NH2 3.01Å
113	L	26.9	Very low	31.8	Very low	173 Å²	173	132.3 Å²	132.3	91%	0.906	74%	0.74	S	S	*	*	S	Bend	trans	-104.3	12.9	163.8	-118	155.8	0	0	0	112.8
114	C	26.5	Very low	30.6	Very low	114 Å²	114	130.7 Å²	130.7	77%	0.77	74%	0.743	S	S	*	*			trans	-126.5	138.6	172.6	-78	0	0	0	0	109.7
115	E	28.3	Very low	29.8	Very low	186 Å²	186	131.5 Å²	131.5	87%	0.869	74%	0.74	S	S	*	*			trans	88	71	177	-53.2	-175.8	167.7	0	0	113.6
116	Q	26.3	Very low	29.2	Very low	172 Å²	172	131.5 Å²	131.5	80%	0.804	74%	0.742	S	S	*	*				63.2	107.9	82.8	-64.5	-172.2	7.5	0	0	114.5
117	N	24.7	Very low	28.9	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	72%	0.724	S	S	*	*				38.7	91.2	119.9	-52.6	-33.8	0	0	0	116.6
118	A	28.6	Very low	28.6	Very low	102 Å²	102	126.6 Å²	126.6	84%	0.843	71%	0.711	S	S	*	*			trans	-159.3	128.1	150	0	0	0	0	0	111.5
119	D	24.5	Very low	28.2	Very low	165 Å²	165	131.5 Å²	131.5	88%	0.882	73%	0.729	S	S	*	*			trans	-62.1	159	174.3	-73.7	-55.6	0	0	0	114.1
120	S	28	Very low	28.2	Very low	132 Å²	132	131.1 Å²	131.1	92%	0.923	74%	0.735	S	S	*	*			trans	91.5	116.9	148.8	-148.6	0	0	0	0	117.8
121	G	24.9	Very low	28.2	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	72%	0.715	S	S	*	*			trans	158	59.1	168.2	0	0	0	0	0	115.3	S123	G121-S123 PolarHBondContact O-N 2.9Å
122	S	27.1	Very low	28.4	Very low	123 Å²	123	121.5 Å²	121.5	86%	0.86	72%	0.722	S	S	*	*			trans	-62.8	113.4	173.3	169	0	0	0	0	111.7
123	S	26.3	Very low	28.6	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	74%	0.742	S	S	*	*			trans	-142.8	117.5	154.5	-168.3	0	0	0	0	110.1	G121	G121-S123 PolarHBondContact O-N 2.9Å
124	A	25	Very low	29.1	Very low	65 Å²	65	125.1 Å²	125.1	54%	0.537	74%	0.736	S	S	.	*			trans	-126.5	91.3	-162.3	0	0	0	0	0	114	H138	A124-H138 WeakPolarHBondContact CA-CD2 3.36Å; A124-H138 WeakPolarHBondContact CA-NE2 3.3Å
125	L	27	Very low	29.6	Very low	107 Å²	107	124.9 Å²	124.9	56%	0.56	73%	0.733	S	S	*	*			trans	-66	100.9	155.3	-59.3	176.5	0	0	0	118	H138	L125-H138 VanDerWaalsContact CA-CD2 3.43Å; L125-H138 WeakPolarHBondContact CA-CD2 3.4Å; L125-H138 WeakPolarHBondContact CA-NE2 3.46Å; L125-H138 WeakPolarHBondContact CB-NE2 3.35Å; L125-H138 PolarHBondContact N-CD2 2.84Å; L125-H138 PolarHBondContact N-NE2 2.95Å; L125-H138 WeakPolarHBondContact O-CA 3.4Å; L125-H138 PolarHBondContact O-CD2 3.35Å; L125-H138 PolarHBondContact O-CE1 3.34Å; L125-H138 PolarHBondContact O-ND1 2.87Å; L125-H138 PolarHBondContact O-NE2 2.61Å; L125-H138 VanDerWaalsContact O-NE2 3.12Å
126	C	27.9	Very low	30	Very low	76 Å²	76	123 Å²	123	51%	0.514	72%	0.718	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.9	134	-179.7	-48.5	0	0	0	0	113.6	R136	C126-R136 HydrophobicContact CB-CB 4.07Å
127	W	32.6	Very low	30.7	Very low	88 Å²	88	123 Å²	123	33%	0.333	71%	0.71	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	138.7	164.7	-68.5	78.7	0	0	0	111.5	L92 P93 R137 L139	L92-W127 HydrophobicContact CD2-CH2 3.34Å; L92-W127 HydrophobicContact CD2-CZ2 3.15Å; P93-W127 HydrophobicContact CG-CH2 4.35Å; P93-W127 HydrophobicContact CG-CZ3 4.3Å; W127-R137 PolarHBondContact N-O 2.8Å; W127-R137 PolarHBondContact O-N 2.88Å; W127-R137 VanDerWaalsContact O-O 3.11Å; W127-L139 HydrophobicContact CB-CD1 4.08Å; W127-L139 VanDerWaalsContact CD1-N 3.27Å; W127-L139 HydrophobicContact CD2-CD1 3.69Å; W127-L139 HydrophobicContact CG-CB 4.31Å; W127-L139 HydrophobicContact CG-CD1 3.32Å; W127-L139 HydrophobicContact CG-CG 4.32Å; W127-L139 HydrophobicContact CZ2-CD1 4.48Å; W127-L139 VanDerWaalsContact NE1-CB 3.27Å; W127-L139 VanDerWaalsContact NE1-CD1 3.34Å
128	Q	29.9	Very low	31.4	Very low	113 Å²	113	116.7 Å²	116.7	53%	0.528	68%	0.676	S	S	.	*			trans	-97.7	104.7	176.8	-175.5	178.5	17.5	0	0	109.1	R136	Q128-R136 HydrophobicContact CB-CG 3.98Å; Q128-R136 HydrophobicContact CG-CG 4.02Å; Q128-R136 VanDerWaalsContact CG-NE 3.26Å
129	E	30.2	Very low	32.2	Very low	152 Å²	152	114.3 Å²	114.3	71%	0.71	65%	0.649	S	S	*	*			trans	-83.2	132.3	158.4	-117.3	-177.6	171.8	0	0	109	G131	E129-G131 PolarHBondContact O-N 2.97Å
130	N	32.1	Very low	33.3	Very low	163 Å²	163	111.6 Å²	111.6	87%	0.872	63%	0.633	S	S	*	*	S	Bend	trans	-66	91.2	-179.9	-84.4	-31.1	0	0	0	111.5
131	G	32.4	Very low	34.3	Very low	45 Å²	45	108 Å²	108	46%	0.464	62%	0.617	S	S	.	*			trans	-149.2	121.8	154.5	0	0	0	0	0	106.9	E129 N133 R134	E129-G131 PolarHBondContact O-N 2.97Å; G131-N133 PolarHBondContact O-N 3.36Å; G131-R134 PolarHBondContact O-N 2.69Å
132	A	35.8	Very low	35.4	Very low	115 Å²	115	107.1 Å²	107.1	95%	0.95	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	10.4	-171.3	0	0	0	0	0	115.7
133	N	36.4	Very low	36.9	Very low	164 Å²	164	104.5 Å²	104.5	88%	0.877	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.1	15.2	-175.2	-103.4	-20.2	0	0	0	115.6	G131	G131-N133 PolarHBondContact O-N 3.36Å
134	R	35.9	Very low	38.3	Very low	203 Å²	203	102.7 Å²	102.7	77%	0.766	55%	0.551	S	S	*	*	S	Bend	trans	-109.2	131.6	173.6	-102.3	-177.6	175	-173.8	-1.3	111.8	G131 R136	G131-R134 PolarHBondContact O-N 2.69Å; R134-R136 PolarHBondContact O-N 3.3Å
135	P	37.4	Very low	40.4	Very low	109 Å²	109	106.5 Å²	106.5	71%	0.708	56%	0.558	S	S	*	*			trans	-61.8	122.3	175.3	23.6	-28.5	0	0	0	108.6	R137	P135-R137 PolarHBondContact O-N 3.26Å
136	R	37.7	Very low	42.2	Very low	146 Å²	146	106.3 Å²	106.3	55%	0.551	55%	0.554	S	S	*	*			trans	-55.1	121.8	178.4	-63.9	-179.5	174.2	176.9	-3	108.8	C126 Q128 R134	C126-R136 HydrophobicContact CB-CB 4.07Å; Q128-R136 HydrophobicContact CB-CG 3.98Å; Q128-R136 HydrophobicContact CG-CG 4.02Å; Q128-R136 VanDerWaalsContact CG-NE 3.26Å; R134-R136 PolarHBondContact O-N 3.3Å
137	R	39.5	Very low	43.8	Very low	171 Å²	171	104.7 Å²	104.7	65%	0.645	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.9	-179.4	-80.2	-176	160.1	-177.7	-6	110.1	W127 P135	W127-R137 PolarHBondContact N-O 2.8Å; W127-R137 PolarHBondContact O-N 2.88Å; W127-R137 VanDerWaalsContact O-O 3.11Å; P135-R137 PolarHBondContact O-N 3.26Å
138	H	40.9	Very low	45.3	Very low	28 Å²	28	102 Å²	102	13%	0.13	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.6	176.7	-158	-54.9	0	0	0	112.9	A124 L125 L140 G141 H142	A124-H138 WeakPolarHBondContact CA-CD2 3.36Å; A124-H138 WeakPolarHBondContact CA-NE2 3.3Å; L125-H138 VanDerWaalsContact CA-CD2 3.43Å; L125-H138 WeakPolarHBondContact CA-CD2 3.4Å; L125-H138 WeakPolarHBondContact CA-NE2 3.46Å; L125-H138 WeakPolarHBondContact CB-NE2 3.35Å; L125-H138 PolarHBondContact N-CD2 2.84Å; L125-H138 PolarHBondContact N-NE2 2.95Å; L125-H138 WeakPolarHBondContact O-CA 3.4Å; L125-H138 PolarHBondContact O-CD2 3.35Å; L125-H138 PolarHBondContact O-CE1 3.34Å; L125-H138 PolarHBondContact O-ND1 2.87Å; L125-H138 PolarHBondContact O-NE2 2.61Å; L125-H138 VanDerWaalsContact O-NE2 3.12Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 VanDerWaalsContact CE1-CD1 3.49Å; H138-L140 WeakPolarHBondContact CE1-CD1 3.48Å; H138-L140 WeakPolarHBondContact ND1-CB 3.37Å; H138-L140 PolarHBondContact ND1-N 3.49Å; H138-L140 VanDerWaalsContact ND1-N 3.14Å; H138-L140 PolarHBondContact O-N 3.5Å; H138-G141 VanDerWaalsContact O-CA 3.32Å; H138-G141 WeakPolarHBondContact O-CA 3.4Å; H138-G141 PolarHBondContact O-N 2.79Å; H138-H142 PolarHBondContact O-CD2 3.42Å
139	L	45.3	Very low	47	Very low	53 Å²	53	100.1 Å²	100.1	28%	0.277	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-57.6	-52.6	176.4	-135.9	72.2	0	0	0	109	W127 G141 H142 L147	W127-L139 HydrophobicContact CB-CD1 4.08Å; W127-L139 VanDerWaalsContact CD1-N 3.27Å; W127-L139 HydrophobicContact CD2-CD1 3.69Å; W127-L139 HydrophobicContact CG-CB 4.31Å; W127-L139 HydrophobicContact CG-CD1 3.32Å; W127-L139 HydrophobicContact CG-CG 4.32Å; W127-L139 HydrophobicContact CZ2-CD1 4.48Å; W127-L139 VanDerWaalsContact NE1-CB 3.27Å; W127-L139 VanDerWaalsContact NE1-CD1 3.34Å; L139-G141 PolarHBondContact O-N 2.78Å; L139-H142 WeakPolarHBondContact O-CB 3.31Å; L139-H142 PolarHBondContact O-N 2.85Å; L139-L147 HydrophobicContact CD1-CD2 3.86Å; L139-L147 HydrophobicContact CD2-CD1 4.27Å; L139-L147 HydrophobicContact CD2-CD2 4.41Å; L139-L147 HydrophobicContact CG-CD1 3.95Å; L139-L147 HydrophobicContact CG-CD2 3.61Å; L139-L147 HydrophobicContact CG-CG 4.44Å; L139-L147 WeakPolarHBondContact O-CD1 3.42Å
140	L	46.4	Very low	48.6	Very low	108 Å²	108	94.6 Å²	94.6	57%	0.565	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-60.3	-9.5	173	-52.9	176.3	0	0	0	114.6	V71 H138 H142	V71-L140 HydrophobicContact CG1-CD1 3.82Å; V71-L140 HydrophobicContact CG1-CD2 4.43Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 VanDerWaalsContact CE1-CD1 3.49Å; H138-L140 WeakPolarHBondContact CE1-CD1 3.48Å; H138-L140 WeakPolarHBondContact ND1-CB 3.37Å; H138-L140 PolarHBondContact ND1-N 3.49Å; H138-L140 VanDerWaalsContact ND1-N 3.14Å; H138-L140 PolarHBondContact O-N 3.5Å; L140-H142 VanDerWaalsContact C-N 3.34Å
141	G	49.9	Very low	49.9	Very low	55 Å²	55	87.9 Å²	87.9	57%	0.567	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-84.9	-9.7	171.3	0	0	0	0	0	113.3	H138 L139	H138-G141 VanDerWaalsContact O-CA 3.32Å; H138-G141 WeakPolarHBondContact O-CA 3.4Å; H138-G141 PolarHBondContact O-N 2.79Å; L139-G141 PolarHBondContact O-N 2.78Å
142	H	47.5	Very low	51.3	Low	59 Å²	59	90.7 Å²	90.7	27%	0.273	48%	0.475	S	S	.	.	S	Bend	trans	-97.4	139.2	173.7	-73.1	-84	0	0	0	110.2	H138 L139 L140 F144 E146 L147	H138-H142 PolarHBondContact O-CD2 3.42Å; L139-H142 WeakPolarHBondContact O-CB 3.31Å; L139-H142 PolarHBondContact O-N 2.85Å; L140-H142 VanDerWaalsContact C-N 3.34Å; H142-F144 PolarHBondContact O-N 2.76Å; H142-E146 HydrophobicContact CB-CB 4.47Å; H142-E146 IonicContact CE1-OE2 3.83Å; H142-E146 IonicContact CG-OE2 4Å; H142-E146 IonicContact ND1-OE2 2.84Å; H142-E146 PolarHBondContact ND1-OE2 3.38Å; H142-L147 HydrophobicContact CB-CD2 3.99Å; H142-L147 HydrophobicContact CB-CG 3.98Å
143	P	58.2	Low	52.7	Low	68 Å²	68	91.6 Å²	91.6	44%	0.442	46%	0.46	S	S	.	.			trans	-57.3	141.6	170.1	24.7	-31.2	0	0	0	109.5	E145 E146 L147	P143-E145 PolarHBondContact O-N 2.91Å; P143-E145 VanDerWaalsContact O-N 3.1Å; P143-E146 WeakPolarHBondContact CD-OE2 3.4Å; P143-E146 HydrophobicContact CG-CB 3.98Å; P143-E146 HydrophobicContact CG-CG 3.84Å; P143-E146 WeakPolarHBondContact O-CB 3.18Å; P143-E146 PolarHBondContact O-N 2.74Å; P143-L147 PolarHBondContact O-N 3.21Å
144	F	56.7	Low	54.1	Low	68 Å²	68	89.1 Å²	89.1	30%	0.298	45%	0.445	S	S	.	.	H	α-helix	trans	-53.5	-35.7	-176.3	176.1	-100.9	0	0	0	112.5	Y76 H142 E146 L147 L148	Y76-F144 HydrophobicContact CD1-CZ 4.26Å; Y76-F144 HydrophobicContact CG-CE2 4.34Å; Y76-F144 HydrophobicContact CG-CZ 4.28Å; H142-F144 PolarHBondContact O-N 2.76Å; F144-E146 VanDerWaalsContact C-N 3.33Å; F144-E146 PolarHBondContact O-N 2.77Å; F144-L147 PolarHBondContact O-N 3.33Å; F144-L148 HydrophobicContact CE1-CD1 4.47Å; F144-L148 HydrophobicContact CE1-CD2 4.4Å; F144-L148 HydrophobicContact CZ-CD1 4.23Å; F144-L148 WeakPolarHBondContact O-CB 3.36Å; F144-L148 PolarHBondContact O-N 3.25Å
145	E	68.1	Low	55.4	Low	146 Å²	146	83.7 Å²	83.7	68%	0.682	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-35.7	176.7	-67.6	123	166.1	0	0	113.2	P143 L148 T149	P143-E145 PolarHBondContact O-N 2.91Å; P143-E145 VanDerWaalsContact O-N 3.1Å; E145-L148 PolarHBondContact O-N 3.43Å; E145-T149 PolarHBondContact O-N 3.35Å; E145-T149 PolarHBondContact O-OG1 3.03Å
146	E	65.9	Low	56.7	Low	102 Å²	102	84.8 Å²	84.8	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-67.2	-41.6	173.8	-87.5	-173.7	176.2	0	0	111.1	H142 P143 F144 L148 T149 A150	H142-E146 HydrophobicContact CB-CB 4.47Å; H142-E146 IonicContact CE1-OE2 3.83Å; H142-E146 IonicContact CG-OE2 4Å; H142-E146 IonicContact ND1-OE2 2.84Å; H142-E146 PolarHBondContact ND1-OE2 3.38Å; P143-E146 WeakPolarHBondContact CD-OE2 3.4Å; P143-E146 HydrophobicContact CG-CB 3.98Å; P143-E146 HydrophobicContact CG-CG 3.84Å; P143-E146 WeakPolarHBondContact O-CB 3.18Å; P143-E146 PolarHBondContact O-N 2.74Å; F144-E146 VanDerWaalsContact C-N 3.33Å; F144-E146 PolarHBondContact O-N 2.77Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.39Å; E146-T149 WeakPolarHBondContact CA-OG1 3.47Å; E146-T149 PolarHBondContact O-N 2.81Å; E146-T149 PolarHBondContact O-OG1 3.41Å; E146-T149 VanDerWaalsContact O-OG1 3.12Å; E146-A150 VanDerWaalsContact O-CB 3.27Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 2.85Å
147	L	60.6	Low	58.1	Low	42 Å²	42	80.7 Å²	80.7	22%	0.22	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.3	-68.4	177.1	0	0	0	111.7	L139 H142 P143 F144 A150 A151	L139-L147 HydrophobicContact CD1-CD2 3.86Å; L139-L147 HydrophobicContact CD2-CD1 4.27Å; L139-L147 HydrophobicContact CD2-CD2 4.41Å; L139-L147 HydrophobicContact CG-CD1 3.95Å; L139-L147 HydrophobicContact CG-CD2 3.61Å; L139-L147 HydrophobicContact CG-CG 4.44Å; L139-L147 WeakPolarHBondContact O-CD1 3.42Å; H142-L147 HydrophobicContact CB-CD2 3.99Å; H142-L147 HydrophobicContact CB-CG 3.98Å; P143-L147 PolarHBondContact O-N 3.21Å; F144-L147 PolarHBondContact O-N 3.33Å; L147-A150 PolarHBondContact O-N 3.49Å; L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.5Å
148	L	64.8	Low	58.9	Low	31 Å²	31	75 Å²	75	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-66.1	-42.6	178.6	-164.8	75.5	0	0	0	111.3	M102 F144 E145 E146 A151 K152	M102-L148 HydrophobicContact CB-CD1 4.41Å; M102-L148 HydrophobicContact CE-CD1 3.99Å; M102-L148 HydrophobicContact CG-CD1 4.46Å; M102-L148 HydrophobicContact SD-CD1 3.36Å; M102-L148 WeakPolarHBondContact SD-CD1 3.45Å; M102-L148 HydrophobicContact SD-CG 4.48Å; F144-L148 HydrophobicContact CE1-CD1 4.47Å; F144-L148 HydrophobicContact CE1-CD2 4.4Å; F144-L148 HydrophobicContact CZ-CD1 4.23Å; F144-L148 WeakPolarHBondContact O-CB 3.36Å; F144-L148 PolarHBondContact O-N 3.25Å; E145-L148 PolarHBondContact O-N 3.43Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3.39Å; L148-A151 PolarHBondContact O-N 3.31Å; L148-K152 WeakPolarHBondContact O-CB 3.27Å; L148-K152 VanDerWaalsContact O-CG 3.27Å; L148-K152 WeakPolarHBondContact O-CG 3.37Å; L148-K152 PolarHBondContact O-N 2.85Å
149	T	65	Low	59.6	Low	75 Å²	75	77 Å²	77	46%	0.46	42%	0.421	S	S	.	.	H	α-helix	trans	-67.2	-41.5	175.9	32.7	0	0	0	0	111.9	E145 E146 K152 Q153	E145-T149 PolarHBondContact O-N 3.35Å; E145-T149 PolarHBondContact O-OG1 3.03Å; E146-T149 WeakPolarHBondContact CA-OG1 3.47Å; E146-T149 PolarHBondContact O-N 2.81Å; E146-T149 PolarHBondContact O-OG1 3.41Å; E146-T149 VanDerWaalsContact O-OG1 3.12Å; T149-K152 PolarHBondContact O-N 3.14Å; T149-Q153 WeakPolarHBondContact O-CB 3.44Å; T149-Q153 WeakPolarHBondContact O-CG 3.38Å; T149-Q153 PolarHBondContact O-N 3.09Å
150	A	65	Low	60.5	Low	35 Å²	35	77.8 Å²	77.8	29%	0.289	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-45.7	174.6	0	0	0	0	0	111.6	E146 L147 K152 Q153 I154	E146-A150 VanDerWaalsContact O-CB 3.27Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 2.85Å; L147-A150 PolarHBondContact O-N 3.49Å; A150-K152 PolarHBondContact O-N 3.46Å; A150-Q153 PolarHBondContact O-N 3.11Å; A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.23Å; A150-I154 PolarHBondContact O-N 2.95Å
151	A	59.6	Low	61.4	Low	22 Å²	22	79.3 Å²	79.3	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.7	0	0	0	0	0	112	I88 L147 L148 I154 N155	I88-A151 HydrophobicContact CD1-CB 4.38Å; L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.5Å; L148-A151 PolarHBondContact O-N 3.31Å; A151-I154 PolarHBondContact O-N 3.32Å; A151-N155 WeakPolarHBondContact O-CB 3.47Å; A151-N155 PolarHBondContact O-N 3.32Å
152	K	60.6	Low	61.7	Low	105 Å²	105	84.1 Å²	84.1	46%	0.457	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-48.8	173.4	-77.1	177.1	179.3	-178.2	0	111.3	M102 L148 T149 A150 I154 N155 E156	M102-K152 HydrophobicContact CE-CD 4.36Å; M102-K152 HydrophobicContact CE-CG 3.79Å; L148-K152 WeakPolarHBondContact O-CB 3.27Å; L148-K152 VanDerWaalsContact O-CG 3.27Å; L148-K152 WeakPolarHBondContact O-CG 3.37Å; L148-K152 PolarHBondContact O-N 2.85Å; T149-K152 PolarHBondContact O-N 3.14Å; A150-K152 PolarHBondContact O-N 3.46Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.64Å; K152-N155 PolarHBondContact O-N 3.48Å; K152-E156 VanDerWaalsContact O-CB 3.31Å; K152-E156 WeakPolarHBondContact O-CB 3.14Å; K152-E156 PolarHBondContact O-N 3.4Å
153	Q	66	Low	62.4	Low	133 Å²	133	82.9 Å²	82.9	62%	0.621	43%	0.43	S	S	*	.	H	α-helix	trans	-61	-41.2	178.6	-74.9	177.8	7.1	0	0	112.5	T149 A150 E156 A157	T149-Q153 WeakPolarHBondContact O-CB 3.44Å; T149-Q153 WeakPolarHBondContact O-CG 3.38Å; T149-Q153 PolarHBondContact O-N 3.09Å; A150-Q153 PolarHBondContact O-N 3.11Å; Q153-E156 PolarHBondContact O-N 2.83Å; Q153-A157 WeakPolarHBondContact O-CB 3.34Å; Q153-A157 PolarHBondContact O-N 3.03Å
154	I	64.5	Low	62.8	Low	112 Å²	112	82.9 Å²	82.9	57%	0.574	43%	0.429	S	S	*	.	H	α-helix	trans	-63.6	-46.2	176.4	-69.2	164.9	0	0	0	110.3	A150 A151 K152 E156 A157 E158	A150-I154 VanDerWaalsContact O-CG1 3.26Å; A150-I154 WeakPolarHBondContact O-CG1 3.23Å; A150-I154 PolarHBondContact O-N 2.95Å; A151-I154 PolarHBondContact O-N 3.32Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.64Å; I154-E156 VanDerWaalsContact C-N 3.33Å; I154-E156 PolarHBondContact O-N 3.24Å; I154-A157 PolarHBondContact O-N 2.77Å; I154-E158 WeakPolarHBondContact O-CB 3.42Å; I154-E158 PolarHBondContact O-N 3.45Å
155	N	64.1	Low	63.2	Low	89 Å²	89	82.6 Å²	82.6	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-42.7	178.9	-168.8	40.9	0	0	0	111.4	I88 A151 K152 E158 C159	I88-N155 HydrophobicContact CD1-CB 4.46Å; A151-N155 WeakPolarHBondContact O-CB 3.47Å; A151-N155 PolarHBondContact O-N 3.32Å; K152-N155 PolarHBondContact O-N 3.48Å; N155-E158 PolarHBondContact O-N 3.18Å; N155-C159 WeakPolarHBondContact O-CB 3.39Å; N155-C159 PolarHBondContact O-N 2.95Å; N155-C159 PolarHBondContact O-SG 3.29Å; N155-C159 VanDerWaalsContact O-SG 3.34Å
156	E	65.6	Low	62.8	Low	133 Å²	133	80.1 Å²	80.1	62%	0.621	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-38.1	178.6	-153.3	166	-146.6	0	0	111.7	K152 Q153 I154 S160	K152-E156 VanDerWaalsContact O-CB 3.31Å; K152-E156 WeakPolarHBondContact O-CB 3.14Å; K152-E156 PolarHBondContact O-N 3.4Å; Q153-E156 PolarHBondContact O-N 2.83Å; I154-E156 VanDerWaalsContact C-N 3.33Å; I154-E156 PolarHBondContact O-N 3.24Å; E156-S160 VanDerWaalsContact O-CB 3.27Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.37Å; E156-S160 PolarHBondContact O-OG 2.74Å
157	A	65.9	Low	62.5	Low	60 Å²	60	81.4 Å²	81.4	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-66.7	-41.6	173.3	0	0	0	0	0	112.3	Q153 I154 S160 R161	Q153-A157 WeakPolarHBondContact O-CB 3.34Å; Q153-A157 PolarHBondContact O-N 3.03Å; I154-A157 PolarHBondContact O-N 2.77Å; A157-S160 PolarHBondContact O-N 3.23Å; A157-R161 WeakPolarHBondContact O-CB 3.41Å; A157-R161 PolarHBondContact O-N 2.86Å
158	E	57.1	Low	62.6	Low	52 Å²	52	84.9 Å²	84.9	24%	0.243	45%	0.449	C	S	.	.	H	α-helix	trans	-65.2	-44.7	174.2	-88.9	-71.8	151.2	0	0	111.6	I154 N155 S160 R161 R162	I154-E158 WeakPolarHBondContact O-CB 3.42Å; I154-E158 PolarHBondContact O-N 3.45Å; N155-E158 PolarHBondContact O-N 3.18Å; E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 2.91Å; E158-R161 VanDerWaalsContact CD-NH2 3.33Å; E158-R161 PolarHBondContact O-N 3.42Å; E158-R161 IonicContact OE1-CZ 3.77Å; E158-R161 IonicContact OE1-NH1 2.95Å; E158-R161 PolarHBondContact OE1-NH1 3.34Å; E158-R161 IonicContact OE1-NH2 3.6Å; E158-R161 PolarHBondContact OE1-NH2 2.73Å; E158-R161 IonicContact OE2-CZ 3.08Å; E158-R161 IonicContact OE2-NH2 2.94Å; E158-R161 PolarHBondContact OE2-NH2 2.98Å; E158-R162 WeakPolarHBondContact O-CB 3.43Å; E158-R162 VanDerWaalsContact O-CG 3.3Å; E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.04Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NE 2.61Å; E158-R162 PolarHBondContact OE2-NE 2.71Å; E158-R162 IonicContact OE2-NH2 2.71Å
159	C	54.4	Low	62.3	Low	69 Å²	69	88.8 Å²	88.8	47%	0.466	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-45.7	172.8	-77.6	0	0	0	0	111.1	N155 R161 R162 A163	N155-C159 WeakPolarHBondContact O-CB 3.39Å; N155-C159 PolarHBondContact O-N 2.95Å; N155-C159 PolarHBondContact O-SG 3.29Å; N155-C159 VanDerWaalsContact O-SG 3.34Å; C159-R161 PolarHBondContact O-N 2.73Å; C159-R162 PolarHBondContact O-N 3.41Å; C159-A163 WeakPolarHBondContact O-CB 3.37Å; C159-A163 PolarHBondContact O-N 2.82Å
160	S	64.4	Low	61.6	Low	69 Å²	69	88.5 Å²	88.5	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-64.5	-39.8	177.2	-60.2	0	0	0	0	112.1	E156 A157 E158 A163 T164	E156-S160 VanDerWaalsContact O-CB 3.27Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.37Å; E156-S160 PolarHBondContact O-OG 2.74Å; A157-S160 PolarHBondContact O-N 3.23Å; E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 2.91Å; S160-A163 PolarHBondContact O-N 2.87Å; S160-T164 PolarHBondContact O-N 3.47Å; S160-T164 PolarHBondContact O-OG1 3.17Å
161	R	65	Low	61.1	Low	140 Å²	140	90.2 Å²	90.2	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.7	-164.2	-174.7	79.1	-144.7	-12	111.2	A157 E158 C159 T164 T165	A157-R161 WeakPolarHBondContact O-CB 3.41Å; A157-R161 PolarHBondContact O-N 2.86Å; E158-R161 VanDerWaalsContact CD-NH2 3.33Å; E158-R161 PolarHBondContact O-N 3.42Å; E158-R161 IonicContact OE1-CZ 3.77Å; E158-R161 IonicContact OE1-NH1 2.95Å; E158-R161 PolarHBondContact OE1-NH1 3.34Å; E158-R161 IonicContact OE1-NH2 3.6Å; E158-R161 PolarHBondContact OE1-NH2 2.73Å; E158-R161 IonicContact OE2-CZ 3.08Å; E158-R161 IonicContact OE2-NH2 2.94Å; E158-R161 PolarHBondContact OE2-NH2 2.98Å; C159-R161 PolarHBondContact O-N 2.73Å; R161-T164 WeakPolarHBondContact CA-OG1 3.07Å; R161-T164 PolarHBondContact O-N 3.17Å; R161-T164 PolarHBondContact O-OG1 2.75Å; R161-T165 WeakPolarHBondContact O-CB 3.13Å; R161-T165 PolarHBondContact O-N 3.45Å; R161-T165 PolarHBondContact O-OG1 3.04Å
162	R	57.4	Low	60.8	Low	157 Å²	157	94.5 Å²	94.5	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-67.3	-43.3	177.1	-71.4	173.4	-169.3	-170.8	-0.8	111.5	E158 C159 T164 T165 L166	E158-R162 WeakPolarHBondContact O-CB 3.43Å; E158-R162 VanDerWaalsContact O-CG 3.3Å; E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.04Å; E158-R162 IonicContact OE2-CZ 2.65Å; E158-R162 IonicContact OE2-NE 2.61Å; E158-R162 PolarHBondContact OE2-NE 2.71Å; E158-R162 IonicContact OE2-NH2 2.71Å; C159-R162 PolarHBondContact O-N 3.41Å; R162-T164 VanDerWaalsContact C-N 3.35Å; R162-T164 PolarHBondContact O-N 3.11Å; R162-T165 PolarHBondContact O-N 2.96Å; R162-L166 WeakPolarHBondContact O-CB 3.37Å; R162-L166 WeakPolarHBondContact O-CG 3.34Å; R162-L166 PolarHBondContact O-N 2.92Å
163	A	62.5	Low	60.2	Low	32 Å²	32	96 Å²	96	26%	0.264	51%	0.512	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.5	0	0	0	0	0	111.9	C159 S160 L166 Q167	C159-A163 WeakPolarHBondContact O-CB 3.37Å; C159-A163 PolarHBondContact O-N 2.82Å; S160-A163 PolarHBondContact O-N 2.87Å; A163-L166 PolarHBondContact O-N 2.88Å; A163-Q167 WeakPolarHBondContact O-CB 3.43Å; A163-Q167 WeakPolarHBondContact O-CG 3.45Å; A163-Q167 PolarHBondContact O-N 3.24Å
164	T	65	Low	59.1	Low	68 Å²	68	94.8 Å²	94.8	42%	0.417	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-38.1	176.6	39.8	0	0	0	0	113.1	S160 R161 R162 Q167 N168	S160-T164 PolarHBondContact O-N 3.47Å; S160-T164 PolarHBondContact O-OG1 3.17Å; R161-T164 WeakPolarHBondContact CA-OG1 3.07Å; R161-T164 PolarHBondContact O-N 3.17Å; R161-T164 PolarHBondContact O-OG1 2.75Å; R162-T164 VanDerWaalsContact C-N 3.35Å; R162-T164 PolarHBondContact O-N 3.11Å; T164-Q167 PolarHBondContact O-N 2.94Å; T164-N168 VanDerWaalsContact O-CG 3.26Å; T164-N168 PolarHBondContact O-N 3.47Å; T164-N168 PolarHBondContact O-ND2 2.99Å
165	T	65.7	Low	58.3	Low	63 Å²	63	92 Å²	92	39%	0.387	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-46.3	173.9	-52.4	0	0	0	0	110.5	R161 R162 N168 E169	R161-T165 WeakPolarHBondContact O-CB 3.13Å; R161-T165 PolarHBondContact O-N 3.45Å; R161-T165 PolarHBondContact O-OG1 3.04Å; R162-T165 PolarHBondContact O-N 2.96Å; T165-N168 PolarHBondContact O-N 3.47Å; T165-E169 WeakPolarHBondContact O-CG 3.36Å; T165-E169 PolarHBondContact O-N 3.15Å
166	L	59.5	Low	57.6	Low	93 Å²	93	94.1 Å²	94.1	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-40.8	175.5	-78.9	164.5	0	0	0	112.2	R162 A163 N168 E169 I170	R162-L166 WeakPolarHBondContact O-CB 3.37Å; R162-L166 WeakPolarHBondContact O-CG 3.34Å; R162-L166 PolarHBondContact O-N 2.92Å; A163-L166 PolarHBondContact O-N 2.88Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.13Å; L166-E169 CarbonylContact O-C 3.59Å; L166-E169 PolarHBondContact O-N 3.15Å; L166-I170 HydrophobicContact CB-CD1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 2.97Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 2.82Å
167	Q	59.2	Low	56.7	Low	129 Å²	129	97.4 Å²	97.4	60%	0.603	54%	0.536	S	S	*	.	H	α-helix	trans	-60.4	-37.8	174.3	-82.2	-179.9	-8.8	0	0	112.2	A163 T164 I170 A171	A163-Q167 WeakPolarHBondContact O-CB 3.43Å; A163-Q167 WeakPolarHBondContact O-CG 3.45Å; A163-Q167 PolarHBondContact O-N 3.24Å; T164-Q167 PolarHBondContact O-N 2.94Å; Q167-I170 PolarHBondContact O-N 3.44Å; Q167-A171 VanDerWaalsContact O-CB 3.27Å; Q167-A171 WeakPolarHBondContact O-CB 3.49Å; Q167-A171 PolarHBondContact O-N 3.28Å
168	N	64.5	Low	56	Low	115 Å²	115	102.7 Å²	102.7	62%	0.615	55%	0.55	S	S	*	.	H	α-helix	trans	-70.5	-35.9	175.7	-69.3	-27.9	0	0	0	112.1	T164 T165 L166 T172	T164-N168 VanDerWaalsContact O-CG 3.26Å; T164-N168 PolarHBondContact O-N 3.47Å; T164-N168 PolarHBondContact O-ND2 2.99Å; T165-N168 PolarHBondContact O-N 3.47Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.13Å; N168-T172 PolarHBondContact O-N 3.05Å; N168-T172 PolarHBondContact O-OG1 2.95Å
169	E	56.9	Low	55.6	Low	113 Å²	113	106.2 Å²	106.2	53%	0.528	57%	0.568	S	S	.	*	H	α-helix	trans	-68.9	-38.2	173.2	-72.4	177.4	176.4	0	0	112	T165 L166 T172 D173	T165-E169 WeakPolarHBondContact O-CG 3.36Å; T165-E169 PolarHBondContact O-N 3.15Å; L166-E169 CarbonylContact O-C 3.59Å; L166-E169 PolarHBondContact O-N 3.15Å; E169-T172 WeakPolarHBondContact CA-OG1 3.39Å; E169-T172 PolarHBondContact O-N 3.33Å; E169-T172 PolarHBondContact O-OG1 3.48Å; E169-D173 PolarHBondContact O-N 3.47Å
170	I	50.9	Low	55.2	Low	70 Å²	70	104.9 Å²	104.9	36%	0.359	56%	0.562	S	S	.	*	H	α-helix	trans	-71.6	-35.6	176.1	-66.4	162	0	0	0	110.9	L166 Q167 T172 D173	L166-I170 HydrophobicContact CB-CD1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 2.97Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 2.82Å; Q167-I170 PolarHBondContact O-N 3.44Å; I170-T172 PolarHBondContact O-N 3.49Å; I170-D173 CarbonylContact O-C 3.25Å; I170-D173 VanDerWaalsContact O-C 3.25Å; I170-D173 PolarHBondContact O-N 2.8Å
171	A	53.8	Low	54.3	Low	70 Å²	70	109.7 Å²	109.7	58%	0.579	58%	0.577	S	S	*	*	H	α-helix	trans	-63.9	-22.5	173.9	0	0	0	0	0	112.8	Q167	Q167-A171 VanDerWaalsContact O-CB 3.27Å; Q167-A171 WeakPolarHBondContact O-CB 3.49Å; Q167-A171 PolarHBondContact O-N 3.28Å
172	T	53.5	Low	53.3	Low	112 Å²	112	106.6 Å²	106.6	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-82.8	-18.8	171.6	38.2	0	0	0	0	114.5	N168 E169 I170	N168-T172 PolarHBondContact O-N 3.05Å; N168-T172 PolarHBondContact O-OG1 2.95Å; E169-T172 WeakPolarHBondContact CA-OG1 3.39Å; E169-T172 PolarHBondContact O-N 3.33Å; E169-T172 PolarHBondContact O-OG1 3.48Å; I170-T172 PolarHBondContact O-N 3.49Å
173	D	47.7	Very low	52.9	Low	136 Å²	136	102.5 Å²	102.5	73%	0.727	57%	0.57	S	S	*	*	S	Bend	trans	-113.6	71.4	173.5	-90.5	-21.6	0	0	0	109.9	E169 I170 G175	E169-D173 PolarHBondContact O-N 3.47Å; I170-D173 CarbonylContact O-C 3.25Å; I170-D173 VanDerWaalsContact O-C 3.25Å; I170-D173 PolarHBondContact O-N 2.8Å; D173-G175 PolarHBondContact O-N 3.07Å
174	S	44.5	Very low	52	Low	108 Å²	108	110.2 Å²	110.2	76%	0.755	59%	0.593	S	S	*	*			trans	-66.2	98.4	170.9	64.9	0	0	0	0	110
175	G	47.7	Very low	51.2	Low	53 Å²	53	116.2 Å²	116.2	55%	0.546	61%	0.614	S	S	.	*	S	Bend	trans	-151.9	-62.1	176.9	0	0	0	0	0	113.7	D173	D173-G175 PolarHBondContact O-N 3.07Å
176	D	48.9	Very low	50.1	Low	134 Å²	134	119.9 Å²	119.9	72%	0.717	63%	0.627	S	S	*	*			trans	-136.5	93.1	-164.3	-75.3	-43.3	0	0	0	112.7	E178 M179	D176-E178 PolarHBondContact O-N 2.88Å; D176-M179 HydrophobicContact CB-CG 4.34Å; D176-M179 PolarHBondContact O-N 2.86Å
177	W	45.9	Very low	49.7	Very low	203 Å²	203	119.7 Å²	119.7	77%	0.769	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-11.9	179.3	-67.2	90.9	0	0	0	114
178	E	52.4	Low	49.6	Very low	170 Å²	170	119.1 Å²	119.1	79%	0.794	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-15.7	177.1	-85.8	-177	148.7	0	0	113.9	D176	D176-E178 PolarHBondContact O-N 2.88Å
179	M	46.9	Very low	49.3	Very low	126 Å²	126	123.2 Å²	123.2	62%	0.621	63%	0.634	S	S	*	*	H	α-helix	trans	-89.9	-19.1	-174.4	-66.3	-65.8	-94.9	0	0	114.2	D176 I182 A183	D176-M179 HydrophobicContact CB-CG 4.34Å; D176-M179 PolarHBondContact O-N 2.86Å; M179-I182 HydrophobicContact SD-CD1 4.46Å; M179-A183 PolarHBondContact O-N 3.02Å
180	A	46.9	Very low	49.3	Very low	42 Å²	42	121.9 Å²	121.9	35%	0.347	64%	0.637	S	S	.	*	H	α-helix	trans	-73	-28.5	-177.3	0	0	0	0	0	113.2
181	E	45.4	Very low	49.4	Very low	169 Å²	169	122.1 Å²	122.1	79%	0.79	64%	0.643	S	S	*	*	H	α-helix	trans	-81.2	-25.2	179.6	-152.2	165.8	-160.5	0	0	112.1
182	I	44.8	Very low	49.7	Very low	76 Å²	76	123.8 Å²	123.8	39%	0.39	64%	0.638	S	S	.	*	H	α-helix	trans	-77.4	-36.9	173.2	-57.7	174.6	0	0	0	110.7	M179 Y184 K185 E186	M179-I182 HydrophobicContact SD-CD1 4.46Å; I182-Y184 PolarHBondContact O-N 3.11Å; I182-Y184 VanDerWaalsContact O-N 3.11Å; I182-K185 PolarHBondContact O-N 3Å; I182-E186 HydrophobicContact CG2-CB 4.49Å; I182-E186 HydrophobicContact CG2-CG 3.81Å; I182-E186 WeakPolarHBondContact CG2-OE2 3.4Å; I182-E186 PolarHBondContact O-N 3.47Å
183	A	47.4	Very low	50	Low	71 Å²	71	125.9 Å²	125.9	59%	0.587	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-18	174.6	0	0	0	0	0	113.8	M179 K185	M179-A183 PolarHBondContact O-N 3.02Å; A183-K185 VanDerWaalsContact C-N 3.32Å
184	Y	44.8	Very low	50.5	Low	193 Å²	193	125.6 Å²	125.6	76%	0.757	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-13.8	173	-106.5	-85.5	0	0	0	113.9	I182	I182-Y184 PolarHBondContact O-N 3.11Å; I182-Y184 VanDerWaalsContact O-N 3.11Å
185	K	47.8	Very low	50.9	Low	195 Å²	195	123.6 Å²	123.6	85%	0.848	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-23.7	-179.1	-87.2	-180	176.7	172.6	0	114.5	I182 A183 D187	I182-K185 PolarHBondContact O-N 3Å; A183-K185 VanDerWaalsContact C-N 3.32Å; K185-D187 PolarHBondContact O-N 2.83Å
186	E	41.8	Very low	51.1	Low	140 Å²	140	131.7 Å²	131.7	65%	0.654	63%	0.627	S	S	*	*	S	Bend	trans	-90.1	107.7	179.9	-72.1	-173.6	167.1	0	0	111.4	I182 L188	I182-E186 HydrophobicContact CG2-CB 4.49Å; I182-E186 HydrophobicContact CG2-CG 3.81Å; I182-E186 WeakPolarHBondContact CG2-OE2 3.4Å; I182-E186 PolarHBondContact O-N 3.47Å; E186-L188 PolarHBondContact O-N 3.3Å
187	D	51.7	Low	50.6	Low	89 Å²	89	127.4 Å²	127.4	48%	0.476	61%	0.611	S	S	.	*			trans	52.3	62	156.8	-78.3	0.8	0	0	0	116.2	K185 W189 K192	K185-D187 PolarHBondContact O-N 2.83Å; D187-W189 PolarHBondContact O-N 2.87Å; D187-K192 HydrophobicContact CB-CB 4.43Å; D187-K192 HydrophobicContact CB-CD 4.32Å; D187-K192 WeakPolarHBondContact OD2-CD 3.37Å; D187-K192 WeakPolarHBondContact OD2-CE 3.47Å; D187-K192 IonicContact OD2-NZ 3.29Å; D187-K192 PolarHBondContact OD2-NZ 3.13Å
188	L	57.6	Low	50.3	Low	117 Å²	117	125.5 Å²	125.5	61%	0.613	60%	0.604	S	S	*	*			trans	-49	128.9	149.2	-82.7	164	0	0	0	107.5	E186 S190 C191 K192	E186-L188 PolarHBondContact O-N 3.3Å; L188-S190 PolarHBondContact O-N 2.83Å; L188-C191 HydrophobicContact CB-CB 4.28Å; L188-C191 WeakPolarHBondContact O-CA 3.47Å; L188-C191 WeakPolarHBondContact O-CB 3.36Å; L188-C191 PolarHBondContact O-N 2.65Å; L188-K192 PolarHBondContact O-N 3.12Å
189	W	57.6	Low	50.3	Low	201 Å²	201	124.4 Å²	124.4	76%	0.761	60%	0.602	S	S	*	*	H	α-helix	trans	-55.5	-30.4	-178.7	-78.5	39.8	0	0	0	111.6	D187 C191 K192 Y193	D187-W189 PolarHBondContact O-N 2.87Å; W189-C191 VanDerWaalsContact C-N 3.32Å; W189-C191 PolarHBondContact O-N 2.92Å; W189-K192 PolarHBondContact O-N 2.97Å; W189-Y193 HydrophobicContact CB-CD2 4.36Å; W189-Y193 HydrophobicContact CD2-CE2 4.35Å; W189-Y193 HydrophobicContact CE3-CE2 4.19Å; W189-Y193 WeakPolarHBondContact O-CB 3.49Å; W189-Y193 WeakPolarHBondContact O-CD2 3.44Å; W189-Y193 PolarHBondContact O-N 2.85Å
190	S	57.3	Low	50.4	Low	85 Å²	85	122 Å²	122	59%	0.594	59%	0.592	S	S	*	*	H	α-helix	trans	-63.8	-31.6	172.1	52	0	0	0	0	114.1	L188 Q194	L188-S190 PolarHBondContact O-N 2.83Å; S190-Q194 WeakPolarHBondContact O-CA 3.45Å; S190-Q194 WeakPolarHBondContact O-CB 3.44Å; S190-Q194 PolarHBondContact O-N 3.22Å
191	C	52.6	Low	50.5	Low	74 Å²	74	123.2 Å²	123.2	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-82.7	-38.7	175.4	-62.1	0	0	0	0	111.5	L188 W189	L188-C191 HydrophobicContact CB-CB 4.28Å; L188-C191 WeakPolarHBondContact O-CA 3.47Å; L188-C191 WeakPolarHBondContact O-CB 3.36Å; L188-C191 PolarHBondContact O-N 2.65Å; W189-C191 VanDerWaalsContact C-N 3.32Å; W189-C191 PolarHBondContact O-N 2.92Å
192	K	61.4	Low	50.5	Low	105 Å²	105	123.3 Å²	123.3	46%	0.457	60%	0.597	S	S	.	*	H	α-helix	trans	-67.6	-39.4	178.7	-171.2	172.7	-163.7	133	0	112.9	D187 L188 W189	D187-K192 HydrophobicContact CB-CB 4.43Å; D187-K192 HydrophobicContact CB-CD 4.32Å; D187-K192 WeakPolarHBondContact OD2-CD 3.37Å; D187-K192 WeakPolarHBondContact OD2-CE 3.47Å; D187-K192 IonicContact OD2-NZ 3.29Å; D187-K192 PolarHBondContact OD2-NZ 3.13Å; L188-K192 PolarHBondContact O-N 3.12Å; W189-K192 PolarHBondContact O-N 2.97Å
193	Y	59.3	Low	50.4	Low	156 Å²	156	124.3 Å²	124.3	61%	0.612	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	27.2	179.6	-59.6	-76	0	0	0	112.3	W189	W189-Y193 HydrophobicContact CB-CD2 4.36Å; W189-Y193 HydrophobicContact CD2-CE2 4.35Å; W189-Y193 HydrophobicContact CE3-CE2 4.19Å; W189-Y193 WeakPolarHBondContact O-CB 3.49Å; W189-Y193 WeakPolarHBondContact O-CD2 3.44Å; W189-Y193 PolarHBondContact O-N 2.85Å
194	Q	58.1	Low	49.9	Very low	130 Å²	130	125.5 Å²	125.5	61%	0.607	61%	0.608	S	S	*	*			trans	-61.2	128.3	171.7	-171.1	172.8	6	0	0	108.8	S190 R196	S190-Q194 WeakPolarHBondContact O-CA 3.45Å; S190-Q194 WeakPolarHBondContact O-CB 3.44Å; S190-Q194 PolarHBondContact O-N 3.22Å; Q194-R196 WeakPolarHBondContact O-CG 3.23Å; Q194-R196 PolarHBondContact O-N 2.95Å; Q194-R196 VanDerWaalsContact O-N 3.07Å
195	P	52.4	Low	49.5	Very low	67 Å²	67	122.3 Å²	122.3	44%	0.435	60%	0.604	S	S	.	*			trans	-56.8	116.9	178.2	-22.3	31.4	0	0	0	109.8	D200 L201	P195-D200 HydrophobicContact CB-CB 3.88Å; P195-L201 HydrophobicContact CB-CD2 3.86Å; P195-L201 HydrophobicContact CB-CG 4.29Å; P195-L201 HydrophobicContact CG-CD2 3.71Å
196	R	52.1	Low	49.1	Very low	222 Å²	222	120.7 Å²	120.7	84%	0.838	61%	0.61	S	S	*	*			trans	-92	-25.5	-179.4	-66.2	-174.5	173.9	-169.7	-2	111.3	Q194 D200	Q194-R196 WeakPolarHBondContact O-CG 3.23Å; Q194-R196 PolarHBondContact O-N 2.95Å; Q194-R196 VanDerWaalsContact O-N 3.07Å; R196-D200 PolarHBondContact N-OD2 2.8Å
197	A	38.3	Very low	48.9	Very low	45 Å²	45	118.2 Å²	118.2	37%	0.372	61%	0.608	S	S	.	*	S	Bend	trans	-133.8	161.9	177.8	0	0	0	0	0	111.6	I199 D200	A197-I199 HydrophobicContact CB-CG2 3.97Å; A197-I199 PolarHBondContact O-N 3.2Å; A197-I199 VanDerWaalsContact O-N 3.15Å; A197-D200 PolarHBondContact N-OD2 3.01Å; A197-D200 WeakPolarHBondContact O-CB 3.33Å; A197-D200 PolarHBondContact O-N 2.87Å
198	Y	40.9	Very low	48	Very low	162 Å²	162	121.2 Å²	121.2	64%	0.635	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-57.6	-28.1	179.4	-167	-88	0	0	0	112.7	D200	Y198-D200 VanDerWaalsContact C-N 3.3Å; Y198-D200 PolarHBondContact O-N 3.06Å
199	I	51	Low	46.6	Very low	148 Å²	148	120.5 Å²	120.5	76%	0.759	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-72.8	-18.1	177.1	-164.7	164.7	0	0	0	113.8	A197 L201	A197-I199 HydrophobicContact CB-CG2 3.97Å; A197-I199 PolarHBondContact O-N 3.2Å; A197-I199 VanDerWaalsContact O-N 3.15Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 2.89Å
200	D	49.5	Very low	45.2	Very low	75 Å²	75	118.5 Å²	118.5	40%	0.401	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-82.9	-6.8	-178.8	-58.1	-25.8	0	0	0	112.2	P195 R196 A197 Y198 L202	P195-D200 HydrophobicContact CB-CB 3.88Å; R196-D200 PolarHBondContact N-OD2 2.8Å; A197-D200 PolarHBondContact N-OD2 3.01Å; A197-D200 WeakPolarHBondContact O-CB 3.33Å; A197-D200 PolarHBondContact O-N 2.87Å; Y198-D200 VanDerWaalsContact C-N 3.3Å; Y198-D200 PolarHBondContact O-N 3.06Å; D200-L202 PolarHBondContact O-N 3.4Å; D200-L202 VanDerWaalsContact O-N 3.13Å
201	L	49.3	Very low	43.8	Very low	67 Å²	67	119.6 Å²	119.6	35%	0.351	64%	0.64	S	S	.	*			trans	-77.6	95.3	172.1	-64.7	171	0	0	0	108.2	P195 I199 S203	P195-L201 HydrophobicContact CB-CD2 3.86Å; P195-L201 HydrophobicContact CB-CG 4.29Å; P195-L201 HydrophobicContact CG-CD2 3.71Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 2.89Å; L201-S203 PolarHBondContact O-N 3.08Å
202	L	45.7	Very low	42.6	Very low	171 Å²	171	126.3 Å²	126.3	90%	0.895	66%	0.661	S	S	*	*			trans	-71.1	60.7	170.9	-71.6	171.3	0	0	0	110.9	D200	D200-L202 PolarHBondContact O-N 3.4Å; D200-L202 VanDerWaalsContact O-N 3.13Å
203	S	41.5	Very low	41.1	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	68%	0.678	S	S	*	*			trans	-176	101.3	159.1	-80.9	0	0	0	0	106.5	L201	L201-S203 PolarHBondContact O-N 3.08Å
204	D	38	Very low	39.8	Very low	96 Å²	96	126.7 Å²	126.7	51%	0.513	68%	0.678	S	S	.	*	S	Bend	trans	-160.1	100.3	138.6	-85.6	-23.7	0	0	0	107.2
205	D	36.4	Very low	38.5	Very low	125 Å²	125	128 Å²	128	67%	0.668	69%	0.688	S	S	*	*			trans	37.7	93.8	146.5	-64.8	-26.3	0	0	0	118.5	S207	D205-S207 PolarHBondContact O-N 3.01Å
206	V	37.9	Very low	37.5	Very low	161 Å²	161	133.7 Å²	133.7	98%	0.976	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	30.8	157.8	-162	0	0	0	0	111.4
207	S	37.4	Very low	36.6	Very low	88 Å²	88	132.2 Å²	132.2	62%	0.615	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	2.2	172.6	37.5	0	0	0	0	113.9	D205	D205-S207 PolarHBondContact O-N 3.01Å
208	N	33.2	Very low	36.3	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	72%	0.721	S	S	*	*			trans	-103.1	78.4	164.6	-91	-19.3	0	0	0	111.7	L210	N208-L210 PolarHBondContact O-N 2.79Å
209	S	29.5	Very low	36	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	73%	0.728	S	S	*	*			trans	-59	115.8	152.4	56.7	0	0	0	0	108.9
210	L	27	Very low	35.3	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	73%	0.734	S	S	*	*	S	Bend	trans	151.7	118.8	141.1	-79.4	152.8	0	0	0	110.7	N208	N208-L210 PolarHBondContact O-N 2.79Å
211	S	27.9	Very low	34.6	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	75%	0.753	S	S	*	*			trans	73.4	64.9	160.2	72.4	0	0	0	0	119.4
212	F	28.6	Very low	34.2	Very low	216 Å²	216	141.7 Å²	141.7	95%	0.947	77%	0.772	S	S	*	*			trans	-122.5	99.1	142.8	-92.8	-87.1	0	0	0	108.8
213	Q	29	Very low	33.8	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	77%	0.765	S	S	*	*			trans	-67.1	137.5	168.2	-66.9	-131.7	-29.2	0	0	108.9	I215	Q213-I215 PolarHBondContact O-N 2.78Å
214	P	32	Very low	33.7	Very low	97 Å²	97	143.9 Å²	143.9	63%	0.63	77%	0.773	S	S	*	*			trans	-65.4	122.7	171.8	27.6	-31.3	0	0	0	108.2	Y216	P214-Y216 HydrophobicContact CB-CD2 3.78Å; P214-Y216 HydrophobicContact CB-CE2 4.07Å; P214-Y216 HydrophobicContact CG-CD2 4.22Å; P214-Y216 PolarHBondContact O-N 2.99Å
215	I	31.3	Very low	33.5	Very low	157 Å²	157	150.6 Å²	150.6	81%	0.805	79%	0.791	S	S	*	*			trans	-72.5	71.7	167	-54.6	175.9	0	0	0	107.1	Q213 K217	Q213-I215 PolarHBondContact O-N 2.78Å; I215-K217 HydrophobicContact CG2-CG 4.37Å; I215-K217 PolarHBondContact O-N 2.86Å
216	Y	31.8	Very low	33.7	Very low	187 Å²	187	148.1 Å²	148.1	73%	0.733	80%	0.795	S	S	*	*			trans	-81.2	96.4	151.4	-78.4	-76.3	0	0	0	106.4	P214 Y218	P214-Y216 HydrophobicContact CB-CD2 3.78Å; P214-Y216 HydrophobicContact CB-CE2 4.07Å; P214-Y216 HydrophobicContact CG-CD2 4.22Å; P214-Y216 PolarHBondContact O-N 2.99Å; Y216-Y218 PolarHBondContact O-N 3.01Å
217	K	32.9	Very low	33.8	Very low	191 Å²	191	153.6 Å²	153.6	83%	0.83	81%	0.81	S	S	*	*			trans	-64.5	89.6	156.2	-86	-176.3	176.5	177.9	0	107.1	I215	I215-K217 HydrophobicContact CG2-CG 4.37Å; I215-K217 PolarHBondContact O-N 2.86Å
218	Y	32.2	Very low	33.6	Very low	200 Å²	200	156.9 Å²	156.9	78%	0.784	82%	0.819	S	S	*	*			trans	-57.8	128.2	154.1	-85.4	-91.7	0	0	0	107.6	Y216 Q220	Y216-Y218 PolarHBondContact O-N 3.01Å; Y218-Q220 PolarHBondContact O-N 2.86Å
219	P	34	Very low	33.6	Very low	119 Å²	119	157.1 Å²	157.1	77%	0.773	82%	0.819	S	S	*	*			trans	-65.9	106.5	159.7	26.8	-27.5	0	0	0	106.7	A221	P219-A221 PolarHBondContact O-N 3.09Å
220	Q	35.3	Very low	33.8	Very low	189 Å²	189	160.1 Å²	160.1	88%	0.883	83%	0.825	S	S	*	*			trans	-61.4	92.3	155.8	-86	-177.7	-8	0	0	106.6	Y218 A222	Y218-Q220 PolarHBondContact O-N 2.86Å; Q220-A222 PolarHBondContact O-N 3.17Å
221	A	36.3	Very low	34.2	Very low	97 Å²	97	160.2 Å²	160.2	80%	0.802	83%	0.825	S	S	*	*			trans	-66.1	86.6	158.7	0	0	0	0	0	106.6	P219 A223	P219-A221 PolarHBondContact O-N 3.09Å; A221-A223 PolarHBondContact O-N 3.11Å; A221-A223 VanDerWaalsContact O-N 3.11Å
222	A	39.3	Very low	34.6	Very low	91 Å²	91	163.5 Å²	163.5	75%	0.752	83%	0.83	S	S	*	*			trans	-58.2	113.4	165.7	0	0	0	0	0	107.9	Q220 R224	Q220-A222 PolarHBondContact O-N 3.17Å; A222-R224 PolarHBondContact O-N 3.19Å
223	A	38.3	Very low	35	Very low	91 Å²	91	160 Å²	160	75%	0.752	82%	0.822	S	S	*	*			trans	-50.9	119.3	158.6	0	0	0	0	0	109.2	A221	A221-A223 PolarHBondContact O-N 3.11Å; A221-A223 VanDerWaalsContact O-N 3.11Å
224	R	39.3	Very low	35.5	Very low	223 Å²	223	159.1 Å²	159.1	84%	0.842	82%	0.823	S	S	*	*			trans	-179.8	124.9	137	-100.6	164.6	-173.4	-159.8	2.9	113.2	A222	A222-R224 PolarHBondContact O-N 3.19Å
225	R	33.2	Very low	35.7	Very low	238 Å²	238	163.9 Å²	163.9	90%	0.898	84%	0.838	S	S	*	*			trans	86.7	106	150.9	-64.8	-178.1	-170.3	-174.9	4.1	118.2
226	G	42.2	Very low	36.1	Very low	73 Å²	73	164.5 Å²	164.5	75%	0.753	84%	0.841	S	S	*	*			trans	176.3	79.9	157.7	0	0	0	0	0	112.9
227	Q	38.3	Very low	36.5	Very low	275 Å²	275	162.5 Å²	162.5	100%	1.285	85%	0.85	S	S	*	*			trans	80.6	0	160.2	-61	-175.3	-17.9	0	0	119.1

Retrieved 227 of 227 residues in 85.1 ms (Link to these results)

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