A0A077YWB2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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	26.5	Very low	24.9	Very low	243 Å²	243	156.2 Å²	156.2	100%	1.197	76%	0.757	S	S	*	*				0	112.7	0	-83	174.4	153.6	0	0	108.7	R3	M1-R3 PolarHBondContact O-N 3.18Å
2	V	24.1	Very low	24.9	Very low	134 Å²	134	147.2 Å²	147.2	81%	0.812	72%	0.721	S	S	*	*			trans	-76.4	96.4	176.5	-177.5	0	0	0	0	107.8	K4	V2-K4 VanDerWaalsContact C-N 3.31Å; V2-K4 HydrophobicContact CG1-CG 4.07Å; V2-K4 PolarHBondContact O-N 3.07Å
3	R	21.8	Very low	25.2	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.819	72%	0.717	S	S	*	*			trans	-77.9	90.5	165.6	-91.5	-172.1	177.5	170.6	-0.8	108.4	M1 D5	M1-R3 PolarHBondContact O-N 3.18Å; R3-D5 PolarHBondContact O-N 2.94Å
4	K	24.4	Very low	25.2	Very low	169 Å²	169	144.9 Å²	144.9	74%	0.735	72%	0.716	S	S	*	*			trans	-64.6	83.3	155	-72.2	179.5	175.1	178.8	0	107.4	V2 R6	V2-K4 VanDerWaalsContact C-N 3.31Å; V2-K4 HydrophobicContact CG1-CG 4.07Å; V2-K4 PolarHBondContact O-N 3.07Å; K4-R6 WeakPolarHBondContact O-CG 3.33Å; K4-R6 PolarHBondContact O-N 3.02Å
5	D	28.3	Very low	25.3	Very low	131 Å²	131	145.9 Å²	145.9	70%	0.701	73%	0.725	S	S	*	*			trans	-83.5	71.7	157.1	-69.7	-29.7	0	0	0	105.7	R3 C7	R3-D5 PolarHBondContact O-N 2.94Å; D5-C7 PolarHBondContact O-N 2.87Å
6	R	25.5	Very low	25.3	Very low	214 Å²	214	141.4 Å²	141.4	81%	0.808	71%	0.711	S	S	*	*				33.4	78.4	99.3	-73.6	-178.5	-168.6	-159.3	4.4	109.7	K4 Q8	K4-R6 WeakPolarHBondContact O-CG 3.33Å; K4-R6 PolarHBondContact O-N 3.02Å; R6-Q8 VanDerWaalsContact C-N 3.27Å; R6-Q8 PolarHBondContact O-N 3.25Å
7	C	23.4	Very low	25.2	Very low	88 Å²	88	136.4 Å²	136.4	60%	0.595	70%	0.696	S	S	*	*			trans	-52	102.9	153.6	-72	0	0	0	0	106.1	D5 L9	D5-C7 PolarHBondContact O-N 2.87Å; C7-L9 PolarHBondContact O-N 3.12Å
8	Q	24.6	Very low	25.1	Very low	136 Å²	136	135.7 Å²	135.7	64%	0.636	71%	0.706	S	S	*	*			trans	-63.4	123.3	174	-71.6	-179.8	-10.6	0	0	106.1	R6 F10	R6-Q8 VanDerWaalsContact C-N 3.27Å; R6-Q8 PolarHBondContact O-N 3.25Å; Q8-F10 HydrophobicContact CB-CE2 4.24Å; Q8-F10 HydrophobicContact CB-CZ 4.14Å; Q8-F10 WeakPolarHBondContact O-CD2 3.48Å; Q8-F10 WeakPolarHBondContact O-CE2 3.18Å; Q8-F10 PolarHBondContact O-N 3.28Å
9	L	23.9	Very low	25	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	70%	0.699	S	S	*	*			trans	-61.3	109.8	173.5	-104.9	110.2	0	0	0	107.9	C7 V11	C7-L9 PolarHBondContact O-N 3.12Å; L9-V11 PolarHBondContact O-N 3.27Å
10	F	25.9	Very low	25.1	Very low	106 Å²	106	133.6 Å²	133.6	47%	0.465	70%	0.699	S	S	.	*			trans	-86.5	103.4	175.7	-66.5	-80.9	0	0	0	108.7	Q8	Q8-F10 HydrophobicContact CB-CE2 4.24Å; Q8-F10 HydrophobicContact CB-CZ 4.14Å; Q8-F10 WeakPolarHBondContact O-CD2 3.48Å; Q8-F10 WeakPolarHBondContact O-CE2 3.18Å; Q8-F10 PolarHBondContact O-N 3.28Å
11	V	25.2	Very low	25.3	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	70%	0.703	S	S	*	*			trans	-88.7	118.1	177.3	-173.1	0	0	0	0	107.8	L9 P13	L9-V11 PolarHBondContact O-N 3.27Å; V11-P13 WeakPolarHBondContact O-CD 2.96Å
12	C	25.6	Very low	25.3	Very low	48 Å²	48	127.8 Å²	127.8	32%	0.324	68%	0.679	S	S	.	*			trans	-72.1	120.5	166.9	-73.8	0	0	0	0	108.1	F14 Q50	C12-F14 PolarHBondContact O-N 3.06Å; C12-Q50 PolarHBondContact SG-NE2 3.11Å
13	P	28.3	Very low	25.6	Very low	103 Å²	103	129 Å²	129	67%	0.669	68%	0.681	S	S	*	*	S	Bend	trans	-78.9	-5	-172.9	25.9	-27.8	0	0	0	114	V11	V11-P13 WeakPolarHBondContact O-CD 2.96Å
14	F	24.8	Very low	25.8	Very low	160 Å²	160	127.4 Å²	127.4	70%	0.702	68%	0.683	S	S	*	*	S	Bend	trans	-133.1	127.5	-178.4	-63.4	-78.2	0	0	0	109.4	C12 C16	C12-F14 PolarHBondContact O-N 3.06Å; F14-C16 PolarHBondContact O-N 3.28Å
15	D	26.6	Very low	26.1	Very low	160 Å²	160	125.9 Å²	125.9	86%	0.856	69%	0.688	S	S	*	*			trans	-40.6	128.2	158.8	-77.1	-41.5	0	0	0	107.6	A17	D15-A17 VanDerWaalsContact C-N 3.31Å; D15-A17 WeakPolarHBondContact O-CA 3.45Å; D15-A17 PolarHBondContact O-N 3Å
16	C	25.9	Very low	26	Very low	74 Å²	74	125.3 Å²	125.3	50%	0.5	69%	0.693	S	S	.	*			trans	-51.2	97.9	-177	-68.7	0	0	0	0	108.7	F14 S18 C48	F14-C16 PolarHBondContact O-N 3.28Å; C16-S18 PolarHBondContact O-N 2.97Å; C16-C48 HydrophobicContact CB-CB 4.38Å
17	A	24	Very low	26.2	Very low	55 Å²	55	119.7 Å²	119.7	46%	0.455	68%	0.684	S	S	.	*			trans	-68.3	111.8	-169.5	0	0	0	0	0	107.6	D15 T19	D15-A17 VanDerWaalsContact C-N 3.31Å; D15-A17 WeakPolarHBondContact O-CA 3.45Å; D15-A17 PolarHBondContact O-N 3Å; A17-T19 PolarHBondContact O-N 3.29Å
18	S	23.5	Very low	26.4	Very low	124 Å²	124	124.5 Å²	124.5	87%	0.867	70%	0.695	S	S	*	*			trans	-70.2	67.3	179.2	43.2	0	0	0	0	110.7	C16	C16-S18 PolarHBondContact O-N 2.97Å
19	T	23.3	Very low	26.5	Very low	94 Å²	94	121.5 Å²	121.5	58%	0.577	69%	0.688	S	S	*	*			trans	-142.5	120.4	174.7	39.4	0	0	0	0	108.2	A17	A17-T19 PolarHBondContact O-N 3.29Å
20	L	27.1	Very low	26.9	Very low	135 Å²	135	121.9 Å²	121.9	71%	0.707	68%	0.683	S	S	*	*			trans	151.2	175.2	136.2	-77.1	157.1	0	0	0	115.2	F41	L20-F41 HydrophobicContact CB-CE1 3.91Å; L20-F41 HydrophobicContact CB-CZ 4.31Å
21	L	29.3	Very low	27.1	Very low	148 Å²	148	120.7 Å²	120.7	78%	0.775	69%	0.687	S	S	*	*			trans	-71.4	164	-152.4	-69.7	150.5	0	0	0	117.2
22	P	26.1	Very low	27.4	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	68%	0.681	S	S	*	*	S	Bend	trans	-72.1	141.1	174.7	27.8	-32.5	0	0	0	113.2
23	N	29.6	Very low	27.7	Very low	159 Å²	159	124.3 Å²	124.3	85%	0.85	70%	0.701	S	S	*	*			trans	103.6	38	159.2	-54.3	-24.2	0	0	0	120.9
24	E	27.3	Very low	27.8	Very low	183 Å²	183	122.9 Å²	122.9	86%	0.855	71%	0.706	S	S	*	*			trans	-124.3	143.4	166.5	-71.6	-170.3	167.2	0	0	114.4
25	T	30.5	Very low	28.1	Very low	138 Å²	138	120.8 Å²	120.8	85%	0.847	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-97.4	141.7	-175.9	43.2	0	0	0	0	113.4	P27	T25-P27 WeakPolarHBondContact O-CD 3.49Å
26	C	25.2	Very low	28.3	Very low	118 Å²	118	123.8 Å²	123.8	80%	0.797	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.2	121.1	-175.6	-64.4	0	0	0	0	115.6
27	P	29.8	Very low	28.6	Very low	97 Å²	97	122.2 Å²	122.2	63%	0.63	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-75.2	133.4	161.7	-10.9	27.2	0	0	0	110.8	T25 C29	T25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-C29 PolarHBondContact O-N 2.88Å
28	K	28.6	Very low	29.2	Very low	188 Å²	188	122.1 Å²	122.1	82%	0.817	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-62.5	118.3	170	-72.8	176.4	176.9	175.8	0	109.4	F30	K28-F30 HydrophobicContact CB-CE2 4.42Å; K28-F30 PolarHBondContact O-N 2.96Å; K28-F30 VanDerWaalsContact O-N 3.11Å
29	C	26.8	Very low	29.8	Very low	73 Å²	73	123.7 Å²	123.7	49%	0.493	67%	0.673	S	S	.	*			trans	-68.3	105.3	178.3	-68.5	0	0	0	0	111.8	P27 P38	P27-C29 PolarHBondContact O-N 2.88Å; C29-P38 WeakPolarHBondContact SG-CG 3.48Å
30	F	32.4	Very low	30.5	Very low	171 Å²	171	121.4 Å²	121.4	75%	0.75	66%	0.659	S	S	*	*			trans	-97.7	92.3	157.2	-72.3	-89.9	0	0	0	107	K28 Q32	K28-F30 HydrophobicContact CB-CE2 4.42Å; K28-F30 PolarHBondContact O-N 2.96Å; K28-F30 VanDerWaalsContact O-N 3.11Å; F30-Q32 PolarHBondContact O-N 2.72Å
31	C	29.1	Very low	31.1	Very low	80 Å²	80	120 Å²	120	54%	0.541	65%	0.647	S	S	.	*			trans	-71	96.9	178.9	-56.5	0	0	0	0	109.3
32	Q	32.1	Very low	31.5	Very low	127 Å²	127	114.7 Å²	114.7	59%	0.593	62%	0.622	S	S	*	*			trans	-76.1	151.7	163.6	-68	-156.6	4.2	0	0	110.3	F30 G34 E35	F30-Q32 PolarHBondContact O-N 2.72Å; Q32-G34 PolarHBondContact O-N 2.82Å; Q32-E35 HydrophobicContact CB-CG 4.21Å; Q32-E35 PolarHBondContact O-N 3.39Å; Q32-E35 VanDerWaalsContact O-N 3.12Å
33	P	31.7	Very low	32.2	Very low	115 Å²	115	113.5 Å²	113.5	75%	0.747	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	126.5	176.7	-21.5	32	0	0	0	111.6	E35	P33-E35 VanDerWaalsContact C-N 3.33Å
34	G	29.7	Very low	32.8	Very low	74 Å²	74	113.4 Å²	113.4	76%	0.763	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	88	-9.4	179.8	0	0	0	0	0	115	Q32	Q32-G34 PolarHBondContact O-N 2.82Å
35	E	30.9	Very low	33.5	Very low	116 Å²	116	110.6 Å²	110.6	54%	0.542	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-80.8	134.2	170.5	-68.4	-169.4	148.2	0	0	110.5	Q32 P33	Q32-E35 HydrophobicContact CB-CG 4.21Å; Q32-E35 PolarHBondContact O-N 3.39Å; Q32-E35 VanDerWaalsContact O-N 3.12Å; P33-E35 VanDerWaalsContact C-N 3.33Å
36	R	30.5	Very low	34	Very low	223 Å²	223	106.2 Å²	106.2	84%	0.842	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-67.8	139.4	174.6	-66.4	179.8	177.4	-178	-1.4	108.4	P38	R36-P38 VanDerWaalsContact O-N 3.12Å
37	C	33.2	Very low	34.8	Very low	41 Å²	41	106 Å²	106	28%	0.277	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-50.5	124.3	165.6	-71.6	0	0	0	0	107.8	F39	C37-F39 PolarHBondContact O-N 3.1Å
38	P	37.1	Very low	35.4	Very low	53 Å²	53	103 Å²	103	34%	0.344	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-58.3	141.5	177.1	24.2	-32.1	0	0	0	108.1	C29 R36 V40	C29-P38 WeakPolarHBondContact SG-CG 3.48Å; R36-P38 VanDerWaalsContact O-N 3.12Å; P38-V40 PolarHBondContact O-N 2.91Å
39	F	36	Very low	36.2	Very low	156 Å²	156	96.7 Å²	96.7	68%	0.684	52%	0.523	S	S	*	.			trans	-51	115.4	173.2	-84.8	-94.4	0	0	0	108.5	C37 F41	C37-F39 PolarHBondContact O-N 3.1Å; F39-F41 HydrophobicContact CB-CE2 4.09Å; F39-F41 HydrophobicContact CB-CZ 4.41Å; F39-F41 PolarHBondContact O-N 3.43Å
40	V	38.3	Very low	37.1	Very low	46 Å²	46	97 Å²	97	28%	0.279	52%	0.517	S	S	.	.			trans	-87	110.8	176.4	178.3	0	0	0	0	107.4	P38 C60	P38-V40 PolarHBondContact O-N 2.91Å; V40-C60 HydrophobicContact CB-CB 4.11Å; V40-C60 HydrophobicContact CG2-CB 3.51Å
41	F	39.6	Very low	37.8	Very low	106 Å²	106	90.3 Å²	90.3	47%	0.465	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-84.5	119.9	173.2	-72.2	-76.5	0	0	0	109.9	L20 F39	L20-F41 HydrophobicContact CB-CE1 3.91Å; L20-F41 HydrophobicContact CB-CZ 4.31Å; F39-F41 HydrophobicContact CB-CE2 4.09Å; F39-F41 HydrophobicContact CB-CZ 4.41Å; F39-F41 PolarHBondContact O-N 3.43Å
42	C	37	Very low	38.6	Very low	36 Å²	36	92.1 Å²	92.1	24%	0.243	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-101.3	138.2	176	-63.9	0	0	0	0	110.3	L46 C62	C42-L46 HydrophobicContact CB-CB 4.05Å; C42-C62 WeakPolarHBondContact CA-SG 3.28Å; C42-C62 HydrophobicContact CB-CB 3.77Å; C42-C62 WeakPolarHBondContact CB-SG 3.23Å; C42-C62 WeakPolarHBondContact SG-CA 3.49Å; C42-C62 WeakPolarHBondContact SG-CB 3.36Å; C42-C62 CovalentContact SG-SG 2.04Å; C42-C62 PolarHBondContact SG-SG 3.24Å
43	P	40.3	Very low	39	Very low	84 Å²	84	89 Å²	89	55%	0.545	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-48.5	149.5	166.2	-22.2	28.9	0	0	0	110.7	E45 L46	P43-E45 PolarHBondContact O-N 3.42Å; P43-L46 HydrophobicContact CB-CG 4.33Å; P43-L46 HydrophobicContact CG-CD1 4.02Å; P43-L46 HydrophobicContact CG-CG 4.33Å; P43-L46 PolarHBondContact O-N 2.83Å
44	T	43.3	Very low	39.4	Very low	157 Å²	157	89.1 Å²	89.1	96%	0.963	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.3	-171	2.4	0	0	0	0	115.6
45	E	41.6	Very low	39.8	Very low	124 Å²	124	94 Å²	94	58%	0.579	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.3	179.8	-55.9	-173.3	172.8	0	0	113.4	P43 G65 R216	P43-E45 PolarHBondContact O-N 3.42Å; E45-G65 PolarHBondContact O-N 3.25Å; E45-R216 IonicContact OE1-NH2 2.84Å
46	L	40.1	Very low	39.9	Very low	45 Å²	45	89.8 Å²	89.8	24%	0.236	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144	179.7	-47.8	-171	0	0	0	110.6	C42 P43 C62 R63 Q64	C42-L46 HydrophobicContact CB-CB 4.05Å; P43-L46 HydrophobicContact CB-CG 4.33Å; P43-L46 HydrophobicContact CG-CD1 4.02Å; P43-L46 HydrophobicContact CG-CG 4.33Å; P43-L46 PolarHBondContact O-N 2.83Å; L46-C62 HydrophobicContact CB-CB 3.99Å; L46-C62 HydrophobicContact CD1-CB 3.69Å; L46-C62 HydrophobicContact CG-CB 4.49Å; L46-R63 CarbonylContact C-O 3.58Å; L46-R63 WeakPolarHBondContact CA-O 3.37Å; L46-R63 WeakPolarHBondContact CB-O 3.46Å; L46-Q64 HydrophobicContact CD2-CB 3.65Å; L46-Q64 HydrophobicContact CD2-CG 3.6Å
47	H	41.7	Very low	40.3	Very low	113 Å²	113	82.2 Å²	82.2	52%	0.523	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.4	169.6	-58.8	-72.6	0	0	0	109.9	R63 G65	H47-R63 PolarHBondContact N-O 3.42Å; H47-R63 PolarHBondContact O-N 3.08Å; H47-G65 VanDerWaalsContact CD2-CA 3.49Å; H47-G65 WeakPolarHBondContact CD2-CA 3.33Å
48	C	42.9	Very low	40.7	Very low	34 Å²	34	83 Å²	83	23%	0.23	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.2	170.3	-175.5	0	0	0	0	109.4	C16 I61	C16-C48 HydrophobicContact CB-CB 4.38Å; C48-I61 WeakPolarHBondContact CA-O 3.31Å
49	V	46.8	Very low	41	Very low	57 Å²	57	84 Å²	84	35%	0.345	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.9	177.2	-175.6	0	0	0	0	108.8	C60 I61 R63	V49-C60 CarbonylContact O-C 3.6Å; V49-C60 WeakPolarHBondContact O-CA 3.3Å; V49-I61 PolarHBondContact N-O 3.18Å; V49-I61 PolarHBondContact O-N 3.18Å; V49-R63 HydrophobicContact CG2-CB 4.16Å; V49-R63 HydrophobicContact CG2-CG 4.35Å
50	Q	45.5	Very low	41.3	Very low	78 Å²	78	77.9 Å²	77.9	36%	0.364	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.2	171.2	-81.9	178.8	6.9	0	0	111	C12 M58 Y59	C12-Q50 PolarHBondContact SG-NE2 3.11Å; Q50-M58 HydrophobicContact CB-CE 3.76Å; Q50-M58 HydrophobicContact CG-CE 4.29Å; Q50-M58 VanDerWaalsContact OE1-CE 3.27Å; Q50-Y59 CarbonylContact C-O 3.44Å; Q50-Y59 WeakPolarHBondContact CA-O 3.21Å
51	E	46.9	Very low	41.7	Very low	32 Å²	32	78.2 Å²	78.2	15%	0.15	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.8	177.7	-78	179.8	-152.5	0	0	111.6	M58 Y59 I61 R63	E51-M58 CarbonylContact O-C 3.59Å; E51-M58 VanDerWaalsContact O-CA 3.23Å; E51-M58 WeakPolarHBondContact O-CA 3.45Å; E51-Y59 HydrophobicContact CB-CD1 4.4Å; E51-Y59 HydrophobicContact CB-CD2 4.48Å; E51-Y59 HydrophobicContact CB-CE1 3.81Å; E51-Y59 HydrophobicContact CB-CE2 3.89Å; E51-Y59 PolarHBondContact N-O 2.69Å; E51-Y59 VanDerWaalsContact O-CD1 3.31Å; E51-Y59 WeakPolarHBondContact O-CD1 3.42Å; E51-Y59 PolarHBondContact O-N 3.48Å; E51-Y59 PolarHBondContact OE2-OH 3.49Å; E51-I61 HydrophobicContact CG-CG2 4.4Å; E51-R63 VanDerWaalsContact CD-NH2 3.34Å; E51-R63 IonicContact OE1-CZ 3.7Å; E51-R63 IonicContact OE1-NE 3.78Å; E51-R63 PolarHBondContact OE1-NE 3.36Å; E51-R63 IonicContact OE1-NH2 2.71Å; E51-R63 PolarHBondContact OE1-NH2 3.36Å; E51-R63 IonicContact OE2-NH2 3.56Å; E51-R63 PolarHBondContact OE2-NH2 3.43Å
52	M	45.3	Very low	41.7	Very low	117 Å²	117	75 Å²	75	58%	0.576	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.7	175.7	-170.5	175.1	-77.9	0	0	108.9	G56 C57 M58	M52-G56 VanDerWaalsContact CG-C 3.47Å; M52-C57 CarbonylContact C-O 3.43Å; M52-C57 WeakPolarHBondContact CA-O 3.25Å; M52-M58 HydrophobicContact CB-SD 4.02Å; M52-M58 HydrophobicContact CE-CG 4.14Å; M52-M58 HydrophobicContact CE-SD 3.9Å
53	N	41.6	Very low	41.9	Very low	63 Å²	63	77 Å²	77	34%	0.337	42%	0.422	S	S	.	.			trans	-75.9	170.4	175.4	72.6	19.1	0	0	0	111.1	K55 G56 C57 Y59	N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 WeakPolarHBondContact OD1-CA 3.39Å; N53-K55 WeakPolarHBondContact OD1-CB 3.23Å; N53-K55 PolarHBondContact OD1-N 2.93Å; N53-G56 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact OD1-N 3.3Å; N53-C57 PolarHBondContact N-O 3.32Å; N53-C57 PolarHBondContact OD1-N 3.47Å; N53-Y59 HydrophobicContact CB-CD1 3.97Å; N53-Y59 HydrophobicContact CB-CE1 3.71Å
54	A	39.3	Very low	41.9	Very low	116 Å²	116	76.3 Å²	76.3	96%	0.959	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.1	-178.6	0	0	0	0	0	114.8
55	K	37.7	Very low	41.3	Very low	178 Å²	178	70.1 Å²	70.1	77%	0.774	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.6	176.4	-62.2	-175.3	179.7	-179.5	0	113	N53	N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 WeakPolarHBondContact OD1-CA 3.39Å; N53-K55 WeakPolarHBondContact OD1-CB 3.23Å; N53-K55 PolarHBondContact OD1-N 2.93Å
56	G	33.8	Very low	40.7	Very low	26 Å²	26	69 Å²	69	27%	0.268	38%	0.377	S	S	.	.	S	Bend	trans	87.1	5.6	-178.7	0	0	0	0	0	114.7	M52 N53	M52-G56 VanDerWaalsContact CG-C 3.47Å; N53-G56 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact OD1-N 3.3Å
57	C	38.4	Very low	40	Very low	65 Å²	65	75.5 Å²	75.5	44%	0.439	40%	0.399	S	S	.	.			trans	-86.4	132.6	179.9	-54.1	0	0	0	0	110.8	M52 N53	M52-C57 CarbonylContact C-O 3.43Å; M52-C57 WeakPolarHBondContact CA-O 3.25Å; N53-C57 PolarHBondContact N-O 3.32Å; N53-C57 PolarHBondContact OD1-N 3.47Å
58	M	41.1	Very low	39.1	Very low	57 Å²	57	76.4 Å²	76.4	28%	0.281	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.8	171.9	-67.4	-76.7	-77.6	0	0	110.7	Q50 E51 M52	Q50-M58 HydrophobicContact CB-CE 3.76Å; Q50-M58 HydrophobicContact CG-CE 4.29Å; Q50-M58 VanDerWaalsContact OE1-CE 3.27Å; E51-M58 CarbonylContact O-C 3.59Å; E51-M58 VanDerWaalsContact O-CA 3.23Å; E51-M58 WeakPolarHBondContact O-CA 3.45Å; M52-M58 HydrophobicContact CB-SD 4.02Å; M52-M58 HydrophobicContact CE-CG 4.14Å; M52-M58 HydrophobicContact CE-SD 3.9Å
59	Y	43.3	Very low	38.2	Very low	74 Å²	74	80 Å²	80	29%	0.29	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159	171.1	65.3	-84.8	0	0	0	110	Q50 E51 N53 I61	Q50-Y59 CarbonylContact C-O 3.44Å; Q50-Y59 WeakPolarHBondContact CA-O 3.21Å; E51-Y59 HydrophobicContact CB-CD1 4.4Å; E51-Y59 HydrophobicContact CB-CD2 4.48Å; E51-Y59 HydrophobicContact CB-CE1 3.81Å; E51-Y59 HydrophobicContact CB-CE2 3.89Å; E51-Y59 PolarHBondContact N-O 2.69Å; E51-Y59 VanDerWaalsContact O-CD1 3.31Å; E51-Y59 WeakPolarHBondContact O-CD1 3.42Å; E51-Y59 PolarHBondContact O-N 3.48Å; E51-Y59 PolarHBondContact OE2-OH 3.49Å; N53-Y59 HydrophobicContact CB-CD1 3.97Å; N53-Y59 HydrophobicContact CB-CE1 3.71Å; Y59-I61 HydrophobicContact CD2-CB 4.34Å; Y59-I61 HydrophobicContact CE2-CB 4.1Å; Y59-I61 HydrophobicContact CE2-CG2 4.22Å
60	C	43.1	Very low	37	Very low	27 Å²	27	85.9 Å²	85.9	18%	0.182	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	176.3	-70.9	0	0	0	0	109.7	V40 V49	V40-C60 HydrophobicContact CB-CB 4.11Å; V40-C60 HydrophobicContact CG2-CB 3.51Å; V49-C60 CarbonylContact O-C 3.6Å; V49-C60 WeakPolarHBondContact O-CA 3.3Å
61	I	46.8	Very low	35.9	Very low	54 Å²	54	86.7 Å²	86.7	28%	0.277	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.4	177.4	-170.3	167.2	0	0	0	110.6	C48 V49 E51 Y59 R63	C48-I61 WeakPolarHBondContact CA-O 3.31Å; V49-I61 PolarHBondContact N-O 3.18Å; V49-I61 PolarHBondContact O-N 3.18Å; E51-I61 HydrophobicContact CG-CG2 4.4Å; Y59-I61 HydrophobicContact CD2-CB 4.34Å; Y59-I61 HydrophobicContact CE2-CB 4.1Å; Y59-I61 HydrophobicContact CE2-CG2 4.22Å; I61-R63 HydrophobicContact CG2-CG 4.33Å
62	C	39.8	Very low	34.8	Very low	37 Å²	37	93 Å²	93	25%	0.25	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.9	173.8	-61.3	0	0	0	0	110.4	C42 L46	C42-C62 WeakPolarHBondContact CA-SG 3.28Å; C42-C62 HydrophobicContact CB-CB 3.77Å; C42-C62 WeakPolarHBondContact CB-SG 3.23Å; C42-C62 WeakPolarHBondContact SG-CA 3.49Å; C42-C62 WeakPolarHBondContact SG-CB 3.36Å; C42-C62 CovalentContact SG-SG 2.04Å; C42-C62 PolarHBondContact SG-SG 3.24Å; L46-C62 HydrophobicContact CB-CB 3.99Å; L46-C62 HydrophobicContact CD1-CB 3.69Å; L46-C62 HydrophobicContact CG-CB 4.49Å
63	R	40.6	Very low	33.8	Very low	78 Å²	78	96.3 Å²	96.3	29%	0.294	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.1	174.1	-73.7	-167.6	177.7	-124.8	-3.2	111.2	L46 H47 V49 E51 I61 G65 A122	L46-R63 CarbonylContact C-O 3.58Å; L46-R63 WeakPolarHBondContact CA-O 3.37Å; L46-R63 WeakPolarHBondContact CB-O 3.46Å; H47-R63 PolarHBondContact N-O 3.42Å; H47-R63 PolarHBondContact O-N 3.08Å; V49-R63 HydrophobicContact CG2-CB 4.16Å; V49-R63 HydrophobicContact CG2-CG 4.35Å; E51-R63 VanDerWaalsContact CD-NH2 3.34Å; E51-R63 IonicContact OE1-CZ 3.7Å; E51-R63 IonicContact OE1-NE 3.78Å; E51-R63 PolarHBondContact OE1-NE 3.36Å; E51-R63 IonicContact OE1-NH2 2.71Å; E51-R63 PolarHBondContact OE1-NH2 3.36Å; E51-R63 IonicContact OE2-NH2 3.56Å; E51-R63 PolarHBondContact OE2-NH2 3.43Å; I61-R63 HydrophobicContact CG2-CG 4.33Å; R63-G65 PolarHBondContact O-N 3.39Å; R63-A122 VanDerWaalsContact CZ-O 3.3Å; R63-A122 PolarHBondContact NH1-O 2.84Å; R63-A122 PolarHBondContact NH2-O 3.28Å
64	Q	40.7	Very low	32.9	Very low	70 Å²	70	102.2 Å²	102.2	33%	0.327	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.4	170.5	-143	164.1	48	0	0	107.8	L46 I66 R212	L46-Q64 HydrophobicContact CD2-CB 3.65Å; L46-Q64 HydrophobicContact CD2-CG 3.6Å; Q64-I66 HydrophobicContact CB-CG1 4.22Å; Q64-I66 PolarHBondContact O-N 2.75Å; Q64-R212 VanDerWaalsContact CD-NH1 3.33Å
65	G	30.1	Very low	32.2	Very low	28 Å²	28	102.6 Å²	102.6	29%	0.289	49%	0.486	S	S	.	.			trans	-67.8	66.6	179.2	0	0	0	0	0	112	E45 H47 R63 Y67	E45-G65 PolarHBondContact O-N 3.25Å; H47-G65 VanDerWaalsContact CD2-CA 3.49Å; H47-G65 WeakPolarHBondContact CD2-CA 3.33Å; R63-G65 PolarHBondContact O-N 3.39Å; G65-Y67 PolarHBondContact O-N 2.83Å
66	I	29.7	Very low	31.6	Very low	101 Å²	101	100.7 Å²	100.7	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-16.8	179	-58.7	174.4	0	0	0	110	Q64	Q64-I66 HydrophobicContact CB-CG1 4.22Å; Q64-I66 PolarHBondContact O-N 2.75Å
67	Y	24.8	Very low	31.2	Very low	180 Å²	180	103.2 Å²	103.2	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-100.9	-5.4	-163.9	-85.9	-80.3	0	0	0	118.2	G65 N71	G65-Y67 PolarHBondContact O-N 2.83Å; Y67-N71 WeakPolarHBondContact O-CB 3.29Å
68	E	23.4	Very low	30.5	Very low	132 Å²	132	103.5 Å²	103.5	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-95.5	-37.3	173.9	-76.5	-143	150.6	0	0	114.5	K72	E68-K72 PolarHBondContact O-N 2.82Å; E68-K72 VanDerWaalsContact O-N 3.15Å
69	T	23.9	Very low	29.9	Very low	110 Å²	110	108 Å²	108	68%	0.675	51%	0.511	S	S	*	.	H	α-helix	trans	-76.1	-27.8	177.8	37.1	0	0	0	0	112.8	R73	T69-R73 PolarHBondContact O-N 3.04Å
70	Y	22	Very low	29.1	Very low	181 Å²	181	111.2 Å²	111.2	71%	0.71	54%	0.539	S	S	*	.	H	α-helix	trans	-79.8	-34.1	173.8	-115.3	-90	0	0	0	113.4
71	N	21.7	Very low	28.3	Very low	95 Å²	95	113.9 Å²	113.9	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-72.3	-35	174.7	-102	-23.4	0	0	0	113.1	Y67 R73 L76	Y67-N71 WeakPolarHBondContact O-CB 3.29Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 3.21Å; N71-L76 WeakPolarHBondContact OD1-CD1 3.17Å
72	K	23.9	Very low	27.5	Very low	165 Å²	165	119 Å²	119	72%	0.717	58%	0.578	S	S	*	*	H	α-helix	trans	-75.8	-19.4	179	-79.1	178.9	179.1	161.9	0	113.7	E68 K74	E68-K72 PolarHBondContact O-N 2.82Å; E68-K72 VanDerWaalsContact O-N 3.15Å; K72-K74 PolarHBondContact O-N 3.14Å
73	R	24.2	Very low	27.4	Very low	186 Å²	186	121.5 Å²	121.5	70%	0.702	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	66.6	171.6	-74.3	-172.4	179.7	-178.6	1.6	112.1	T69 N71 H75	T69-R73 PolarHBondContact O-N 3.04Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 3.21Å; R73-H75 VanDerWaalsContact C-N 3.28Å; R73-H75 PolarHBondContact O-N 3.2Å
74	K	23.2	Very low	27.3	Very low	186 Å²	186	119.6 Å²	119.6	81%	0.809	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.1	13.1	134.8	-99.2	-177.1	177	-178.7	0	120.5	K72	K72-K74 PolarHBondContact O-N 3.14Å
75	H	24.8	Very low	27.4	Very low	125 Å²	125	117.1 Å²	117.1	58%	0.579	58%	0.582	S	S	*	*			trans	-107.5	20	169.7	-72.6	-58.8	0	0	0	115.3	R73 T77	R73-H75 VanDerWaalsContact C-N 3.28Å; R73-H75 PolarHBondContact O-N 3.2Å; H75-T77 WeakPolarHBondContact CA-OG1 3.16Å; H75-T77 PolarHBondContact ND1-OG1 2.99Å; H75-T77 PolarHBondContact O-N 2.9Å; H75-T77 PolarHBondContact O-OG1 3.04Å
76	L	24.3	Very low	28.2	Very low	138 Å²	138	120.9 Å²	120.9	72%	0.723	60%	0.596	S	S	*	*			trans	-60.5	28.2	139.1	-102.9	154	0	0	0	112.3	N71 S78	N71-L76 WeakPolarHBondContact OD1-CD1 3.17Å; L76-S78 PolarHBondContact O-N 2.76Å
77	T	25.5	Very low	28.9	Very low	79 Å²	79	117.9 Å²	117.9	49%	0.485	58%	0.584	S	S	.	*			trans	-51.6	93.5	143.7	17.6	0	0	0	0	105.7	H75 Y79	H75-T77 WeakPolarHBondContact CA-OG1 3.16Å; H75-T77 PolarHBondContact ND1-OG1 2.99Å; H75-T77 PolarHBondContact O-N 2.9Å; H75-T77 PolarHBondContact O-OG1 3.04Å; T77-Y79 VanDerWaalsContact C-N 3.33Å; T77-Y79 VanDerWaalsContact O-CD2 3.22Å; T77-Y79 WeakPolarHBondContact O-CD2 3.27Å; T77-Y79 PolarHBondContact O-N 3.4Å
78	S	24.1	Very low	29.6	Very low	70 Å²	70	110.1 Å²	110.1	49%	0.49	56%	0.555	S	S	.	*			trans	-29.1	94.1	164.9	55.3	0	0	0	0	110.5	L76 V80 S81	L76-S78 PolarHBondContact O-N 2.76Å; S78-V80 PolarHBondContact O-N 2.73Å; S78-S81 PolarHBondContact OG-OG 3.16Å
79	Y	27.9	Very low	30.6	Very low	151 Å²	151	108.5 Å²	108.5	59%	0.592	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.1	168	-73.9	-87.2	0	0	0	111	T77	T77-Y79 VanDerWaalsContact C-N 3.33Å; T77-Y79 VanDerWaalsContact O-CD2 3.22Å; T77-Y79 WeakPolarHBondContact O-CD2 3.27Å; T77-Y79 PolarHBondContact O-N 3.4Å
80	V	26.5	Very low	31.8	Very low	142 Å²	142	111.3 Å²	111.3	86%	0.861	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-7.4	-169.7	-161.8	0	0	0	0	114.5	S78	S78-V80 PolarHBondContact O-N 2.73Å
81	S	26.8	Very low	32.9	Very low	83 Å²	83	104.2 Å²	104.2	58%	0.58	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-16	-171.6	66.6	0	0	0	0	116.9	S78	S78-S81 PolarHBondContact OG-OG 3.16Å
82	K	30.5	Very low	33.8	Very low	162 Å²	162	99.7 Å²	99.7	70%	0.704	51%	0.506	S	S	*	.	S	Bend	trans	-102.8	124.6	172.4	-73.6	-170.8	177.4	-174.8	0	108.9	L84	K82-L84 PolarHBondContact O-N 3.35Å
83	P	37.2	Very low	34.9	Very low	89 Å²	89	94.3 Å²	94.3	58%	0.578	49%	0.489	S	S	*	.			trans	-56	111	170.4	21.4	-29.1	0	0	0	107.1	G85 N86	P83-G85 PolarHBondContact O-N 3.3Å; P83-N86 PolarHBondContact O-N 3.26Å
84	L	38.8	Very low	35.9	Very low	38 Å²	38	97.5 Å²	97.5	20%	0.199	50%	0.501	C	S	.	.	H	α-helix	trans	-45.1	-33.2	-180	-102.4	129.6	0	0	0	111	K82 N86 S87 V88 A104 F107 M163	K82-L84 PolarHBondContact O-N 3.35Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 3.19Å; L84-S87 PolarHBondContact O-N 3.4Å; L84-S87 PolarHBondContact O-OG 3.11Å; L84-V88 HydrophobicContact CD2-CG2 4.22Å; L84-V88 VanDerWaalsContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CB 3.3Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.09Å; L84-A104 HydrophobicContact CB-CB 4.49Å; L84-F107 HydrophobicContact CD2-CD1 3.85Å; L84-F107 HydrophobicContact CD2-CE1 4.21Å; L84-M163 HydrophobicContact CD2-CE 4.38Å
85	G	42.1	Very low	37	Very low	18 Å²	18	89.3 Å²	89.3	19%	0.186	47%	0.467	C	S	.	.	H	α-helix	trans	-46.8	-47	174.3	0	0	0	0	0	114.5	P83 K89 V100	P83-G85 PolarHBondContact O-N 3.3Å; G85-K89 WeakPolarHBondContact O-CB 3.49Å; G85-K89 PolarHBondContact O-N 3.43Å; G85-V100 WeakPolarHBondContact O-CG1 3.48Å
86	N	46.3	Very low	38.5	Very low	108 Å²	108	87.5 Å²	87.5	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-73	-43.3	-177.3	-75	-9.8	0	0	0	112.4	P83 L84 K89 E90	P83-N86 PolarHBondContact O-N 3.26Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 3.19Å; N86-K89 PolarHBondContact O-N 2.81Å; N86-E90 PolarHBondContact O-N 3.12Å
87	S	44.2	Very low	39.7	Very low	38 Å²	38	83.8 Å²	83.8	27%	0.266	45%	0.45	S	S	.	.	H	α-helix	trans	-66.3	-38.1	177.7	41.3	0	0	0	0	112.6	L84 A91	L84-S87 PolarHBondContact O-N 3.4Å; L84-S87 PolarHBondContact O-OG 3.11Å; S87-A91 VanDerWaalsContact O-CB 3.26Å; S87-A91 WeakPolarHBondContact O-CB 3.4Å; S87-A91 PolarHBondContact O-N 2.82Å
88	V	40.4	Very low	41.1	Very low	16 Å²	16	85.7 Å²	85.7	10%	0.097	45%	0.454	C	S	.	.	H	α-helix	trans	-67.4	-40.3	173.5	172.9	0	0	0	0	109.6	L84 A91 C92 V100 I151	L84-V88 HydrophobicContact CD2-CG2 4.22Å; L84-V88 VanDerWaalsContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CB 3.3Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.09Å; V88-A91 PolarHBondContact O-N 2.83Å; V88-C92 HydrophobicContact CG1-CB 4.42Å; V88-C92 WeakPolarHBondContact O-CA 3.37Å; V88-C92 WeakPolarHBondContact O-CB 3.48Å; V88-C92 PolarHBondContact O-N 3.38Å; V88-C92 PolarHBondContact O-SG 3.32Å; V88-V100 HydrophobicContact CG1-CG1 4.5Å; V88-I151 HydrophobicContact CG1-CD1 4.39Å
89	K	44.9	Very low	42.1	Very low	98 Å²	98	86.4 Å²	86.4	43%	0.426	45%	0.446	S	S	.	.	H	α-helix	trans	-68.6	-37.7	178.7	-163.3	176	-172.2	-177.3	0	113	G85 N86 V100	G85-K89 WeakPolarHBondContact O-CB 3.49Å; G85-K89 PolarHBondContact O-N 3.43Å; N86-K89 PolarHBondContact O-N 2.81Å; K89-V100 HydrophobicContact CB-CG1 4.44Å; K89-V100 HydrophobicContact CB-CG2 4.28Å; K89-V100 HydrophobicContact CG-CG2 4.26Å
90	E	49.1	Very low	42.9	Very low	170 Å²	170	79.5 Å²	79.5	79%	0.794	42%	0.419	S	S	*	.	H	α-helix	trans	-65.9	-46.2	172.5	-86.6	-177.7	150.8	0	0	111.7	N86	N86-E90 PolarHBondContact O-N 3.12Å
91	A	43.8	Very low	44	Very low	31 Å²	31	79.7 Å²	79.7	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-73.9	-39.3	-178.5	0	0	0	0	0	112.6	S87 V88 S93 C159	S87-A91 VanDerWaalsContact O-CB 3.26Å; S87-A91 WeakPolarHBondContact O-CB 3.4Å; S87-A91 PolarHBondContact O-N 2.82Å; V88-A91 PolarHBondContact O-N 2.83Å; A91-S93 PolarHBondContact O-N 3.22Å; A91-C159 WeakPolarHBondContact CB-SG 3.41Å
92	C	41.6	Very low	45.1	Very low	1 Å²	1	81.9 Å²	81.9	1%	0.007	41%	0.406	C	S	.	.	S	Bend	trans	-99.4	74.6	-176.6	-54	0	0	0	0	108.4	V88 R94 V95 I151 P155 C159	V88-C92 HydrophobicContact CG1-CB 4.42Å; V88-C92 WeakPolarHBondContact O-CA 3.37Å; V88-C92 WeakPolarHBondContact O-CB 3.48Å; V88-C92 PolarHBondContact O-N 3.38Å; V88-C92 PolarHBondContact O-SG 3.32Å; C92-R94 PolarHBondContact O-N 3.15Å; C92-V95 HydrophobicContact CB-CG2 4.23Å; C92-I151 HydrophobicContact CB-CG2 4.47Å; C92-P155 HydrophobicContact CB-CB 3.93Å; C92-C159 VanDerWaalsContact CA-SG 3.52Å; C92-C159 WeakPolarHBondContact CB-SG 3.06Å; C92-C159 PolarHBondContact N-SG 3.26Å; C92-C159 WeakPolarHBondContact SG-CB 3.23Å; C92-C159 CovalentContact SG-SG 2.07Å; C92-C159 PolarHBondContact SG-SG 3.29Å
93	S	45.8	Very low	45.8	Very low	52 Å²	52	74.3 Å²	74.3	36%	0.364	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	121.7	-179.6	64	0	0	0	0	112.8	A91 R158	A91-S93 PolarHBondContact O-N 3.22Å; S93-R158 PolarHBondContact OG-NH2 2.03Å
94	R	46.6	Very low	46.3	Very low	252 Å²	252	70.8 Å²	70.8	95%	0.951	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	45	171.5	-51.7	179.1	173.7	-176.8	-2.8	117.1	C92	C92-R94 PolarHBondContact O-N 3.15Å
95	V	46.2	Very low	46.9	Very low	14 Å²	14	71.6 Å²	71.6	9%	0.085	36%	0.361	C	S	.	.			trans	-103.5	134.6	167	-170.1	0	0	0	0	109.3	C92 R99 V100	C92-V95 HydrophobicContact CB-CG2 4.23Å; V95-R99 HydrophobicContact CG1-CB 3.79Å; V95-R99 HydrophobicContact CG1-CG 3.73Å; V95-V100 HydrophobicContact CB-CG2 3.67Å; V95-V100 HydrophobicContact CG1-CG2 3.72Å
96	D	55.6	Low	47.3	Very low	87 Å²	87	72.2 Å²	72.2	47%	0.465	36%	0.36	S	S	.	.			trans	-61.4	151.8	174.8	69.3	66.7	0	0	0	110.7	E98 R99 V100	D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 2.9Å; D96-E98 PolarHBondContact OD1-N 3.25Å; D96-R99 VanDerWaalsContact CG-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 WeakPolarHBondContact OD1-CA 3.31Å; D96-R99 WeakPolarHBondContact OD1-CB 3.06Å; D96-R99 PolarHBondContact OD1-N 3.13Å; D96-R99 WeakPolarHBondContact OD2-CB 3.42Å; D96-V100 WeakPolarHBondContact O-CG2 3.35Å; D96-V100 PolarHBondContact O-N 3.34Å
97	A	50.6	Low	47.3	Very low	60 Å²	60	67.8 Å²	67.8	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-33.5	-170.9	0	0	0	0	0	113	V100 Q101	A97-V100 PolarHBondContact O-N 3.07Å; A97-Q101 WeakPolarHBondContact O-CB 3.2Å; A97-Q101 PolarHBondContact O-N 3.29Å
98	E	53.5	Low	47.6	Very low	120 Å²	120	68.5 Å²	68.5	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-70.6	-40.8	-178.6	-162.4	-162.9	130.1	0	0	111.3	D96 Q101 R102	D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 2.9Å; D96-E98 PolarHBondContact OD1-N 3.25Å; E98-Q101 PolarHBondContact O-N 2Å; E98-R102 PolarHBondContact O-N 2.8Å; E98-R102 IonicContact OE1-CZ 3.83Å; E98-R102 IonicContact OE1-NE 3.54Å; E98-R102 IonicContact OE1-NH2 3.65Å; E98-R102 PolarHBondContact OE1-NH2 2.72Å
99	R	46	Very low	48.1	Very low	84 Å²	84	70.6 Å²	70.6	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-40.7	174.1	-170.9	169.9	-175	176.1	3.4	110.7	V95 D96 Q101 R102 C103 D149 C150	V95-R99 HydrophobicContact CG1-CB 3.79Å; V95-R99 HydrophobicContact CG1-CG 3.73Å; D96-R99 VanDerWaalsContact CG-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 WeakPolarHBondContact OD1-CA 3.31Å; D96-R99 WeakPolarHBondContact OD1-CB 3.06Å; D96-R99 PolarHBondContact OD1-N 3.13Å; D96-R99 WeakPolarHBondContact OD2-CB 3.42Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.86Å; R99-R102 PolarHBondContact O-N 3.35Å; R99-C103 WeakPolarHBondContact O-CB 3.23Å; R99-C103 PolarHBondContact O-N 3.22Å; R99-C103 PolarHBondContact O-SG 2.8Å; R99-D149 PolarHBondContact NH2-O 3.42Å; R99-C150 WeakPolarHBondContact CD-O 3.4Å; R99-C150 HydrophobicContact CG-CB 4.29Å; R99-C150 WeakPolarHBondContact CG-O 3Å; R99-C150 PolarHBondContact NE-O 2.97Å
100	V	45.5	Very low	48.2	Very low	6 Å²	6	66.1 Å²	66.1	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-42.2	170.6	171.3	0	0	0	0	111.3	G85 V88 K89 V95 D96 A97 C103 A104	G85-V100 WeakPolarHBondContact O-CG1 3.48Å; V88-V100 HydrophobicContact CG1-CG1 4.5Å; K89-V100 HydrophobicContact CB-CG1 4.44Å; K89-V100 HydrophobicContact CB-CG2 4.28Å; K89-V100 HydrophobicContact CG-CG2 4.26Å; V95-V100 HydrophobicContact CB-CG2 3.67Å; V95-V100 HydrophobicContact CG1-CG2 3.72Å; D96-V100 WeakPolarHBondContact O-CG2 3.35Å; D96-V100 PolarHBondContact O-N 3.34Å; A97-V100 PolarHBondContact O-N 3.07Å; V100-C103 WeakPolarHBondContact O-CB 3.43Å; V100-C103 PolarHBondContact O-N 3.4Å; V100-A104 WeakPolarHBondContact O-CB 3.48Å; V100-A104 PolarHBondContact O-N 2.93Å
101	Q	48.9	Very low	48.1	Very low	147 Å²	147	60.1 Å²	60.1	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-68	-42.8	-179.8	-168.2	169.3	-3.2	0	0	112	A97 E98 R99 A104 S105	A97-Q101 WeakPolarHBondContact O-CB 3.2Å; A97-Q101 PolarHBondContact O-N 3.29Å; E98-Q101 PolarHBondContact O-N 2Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.86Å; Q101-A104 PolarHBondContact O-N 2.88Å; Q101-S105 PolarHBondContact O-N 2.91Å; Q101-S105 PolarHBondContact O-OG 3.43Å
102	R	49.7	Very low	48.4	Very low	128 Å²	128	63.3 Å²	63.3	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-40.9	170.9	-81.9	-174	-88.9	168.3	-11.5	112.6	E98 R99 S105 N106	E98-R102 PolarHBondContact O-N 2.8Å; E98-R102 IonicContact OE1-CZ 3.83Å; E98-R102 IonicContact OE1-NE 3.54Å; E98-R102 IonicContact OE1-NH2 3.65Å; E98-R102 PolarHBondContact OE1-NH2 2.72Å; R99-R102 PolarHBondContact O-N 3.35Å; R102-S105 WeakPolarHBondContact CA-OG 3.4Å; R102-S105 PolarHBondContact O-N 2.92Å; R102-S105 PolarHBondContact O-OG 2.75Å; R102-N106 VanDerWaalsContact O-CG 3.32Å; R102-N106 PolarHBondContact O-N 2.88Å
103	C	45.7	Very low	48.7	Very low	3 Å²	3	64.6 Å²	64.6	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173.5	-68.6	0	0	0	0	111.2	R99 V100 S105 N106 F107 C150 I151	R99-C103 WeakPolarHBondContact O-CB 3.23Å; R99-C103 PolarHBondContact O-N 3.22Å; R99-C103 PolarHBondContact O-SG 2.8Å; V100-C103 WeakPolarHBondContact O-CB 3.43Å; V100-C103 PolarHBondContact O-N 3.4Å; C103-S105 VanDerWaalsContact C-N 3.32Å; C103-S105 PolarHBondContact O-N 3.44Å; C103-N106 PolarHBondContact O-N 3.19Å; C103-F107 VanDerWaalsContact O-CB 3.29Å; C103-F107 WeakPolarHBondContact O-CB 3.4Å; C103-F107 PolarHBondContact O-N 3.09Å; C103-C150 WeakPolarHBondContact SG-CB 3.29Å; C103-I151 HydrophobicContact CB-CD1 4.22Å; C103-I151 HydrophobicContact CB-CG1 4.3Å; C103-I151 WeakPolarHBondContact SG-CG1 3.46Å
104	A	47.1	Very low	48.6	Very low	15 Å²	15	63.5 Å²	63.5	12%	0.124	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-40.1	-178.7	0	0	0	0	0	111	L84 V100 Q101 F107 T108	L84-A104 HydrophobicContact CB-CB 4.49Å; V100-A104 WeakPolarHBondContact O-CB 3.48Å; V100-A104 PolarHBondContact O-N 2.93Å; Q101-A104 PolarHBondContact O-N 2.88Å; A104-F107 PolarHBondContact O-N 3.24Å; A104-T108 WeakPolarHBondContact O-CB 3.01Å; A104-T108 PolarHBondContact O-N 3.31Å; A104-T108 PolarHBondContact O-OG1 2.82Å
105	S	51.9	Low	48.6	Very low	55 Å²	55	56.5 Å²	56.5	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-45.4	174.4	59.3	0	0	0	0	111.9	Q101 R102 C103 F107 T108 I109	Q101-S105 PolarHBondContact O-N 2.91Å; Q101-S105 PolarHBondContact O-OG 3.43Å; R102-S105 WeakPolarHBondContact CA-OG 3.4Å; R102-S105 PolarHBondContact O-N 2.92Å; R102-S105 PolarHBondContact O-OG 2.75Å; C103-S105 VanDerWaalsContact C-N 3.32Å; C103-S105 PolarHBondContact O-N 3.44Å; S105-F107 VanDerWaalsContact C-N 3.31Å; S105-F107 PolarHBondContact O-N 3.35Å; S105-T108 PolarHBondContact O-N 2.82Å; S105-I109 VanDerWaalsContact O-CG1 3.26Å; S105-I109 WeakPolarHBondContact O-CG1 2.9Å; S105-I109 PolarHBondContact O-N 2.88Å
106	N	50	Low	48.7	Very low	31 Å²	31	59.7 Å²	59.7	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-38.1	177.6	-68.2	-6.4	0	0	0	111.7	R102 C103 I109 L110 T143 T147	R102-N106 VanDerWaalsContact O-CG 3.32Å; R102-N106 PolarHBondContact O-N 2.88Å; C103-N106 PolarHBondContact O-N 3.19Å; N106-I109 PolarHBondContact O-N 2.81Å; N106-L110 WeakPolarHBondContact O-CG 2.99Å; N106-L110 PolarHBondContact O-N 3.44Å; N106-T143 HydrophobicContact CB-CG2 3.9Å; N106-T147 VanDerWaalsContact CB-OG1 3.26Å; N106-T147 WeakPolarHBondContact CB-OG1 3.31Å
107	F	46.3	Very low	48	Very low	15 Å²	15	57.3 Å²	57.3	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-41.4	176.4	-159.8	-100	0	0	0	111.8	L84 C103 A104 S105 L110 L111 V166	L84-F107 HydrophobicContact CD2-CD1 3.85Å; L84-F107 HydrophobicContact CD2-CE1 4.21Å; C103-F107 VanDerWaalsContact O-CB 3.29Å; C103-F107 WeakPolarHBondContact O-CB 3.4Å; C103-F107 PolarHBondContact O-N 3.09Å; A104-F107 PolarHBondContact O-N 3.24Å; S105-F107 VanDerWaalsContact C-N 3.31Å; S105-F107 PolarHBondContact O-N 3.35Å; F107-L110 WeakPolarHBondContact O-CB 3.44Å; F107-L110 PolarHBondContact O-N 2.62Å; F107-L111 HydrophobicContact CD1-CD1 3.69Å; F107-L111 HydrophobicContact CD1-CG 4.06Å; F107-L111 HydrophobicContact CE1-CD1 3.6Å; F107-L111 HydrophobicContact CE1-CD2 4.19Å; F107-L111 HydrophobicContact CE1-CG 3.9Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.69Å; F107-V166 HydrophobicContact CE1-CG2 4.3Å; F107-V166 HydrophobicContact CE2-CB 4.23Å; F107-V166 HydrophobicContact CE2-CG1 4.48Å; F107-V166 HydrophobicContact CE2-CG2 3.57Å; F107-V166 HydrophobicContact CZ-CB 4.18Å; F107-V166 HydrophobicContact CZ-CG2 3.36Å
108	T	49.6	Very low	47.6	Very low	54 Å²	54	58.2 Å²	58.2	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-44.9	172.2	-59.8	0	0	0	0	111	A104 S105 L110 L111 E112	A104-T108 WeakPolarHBondContact O-CB 3.01Å; A104-T108 PolarHBondContact O-N 3.31Å; A104-T108 PolarHBondContact O-OG1 2.82Å; S105-T108 PolarHBondContact O-N 2.82Å; T108-L110 VanDerWaalsContact C-N 3.3Å; T108-L110 PolarHBondContact O-N 3.47Å; T108-L111 PolarHBondContact O-N 3Å; T108-E112 HydrophobicContact CG2-CG 4.29Å; T108-E112 WeakPolarHBondContact O-CB 3.06Å; T108-E112 WeakPolarHBondContact O-CG 3.31Å; T108-E112 PolarHBondContact O-N 3.44Å
109	I	51.6	Low	47	Very low	59 Å²	59	57.9 Å²	57.9	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-39.8	176.3	-67.8	163.6	0	0	0	111.2	S105 N106 E112 S113 T143	S105-I109 VanDerWaalsContact O-CG1 3.26Å; S105-I109 WeakPolarHBondContact O-CG1 2.9Å; S105-I109 PolarHBondContact O-N 2.88Å; N106-I109 PolarHBondContact O-N 2.81Å; I109-E112 PolarHBondContact O-N 3.01Å; I109-S113 VanDerWaalsContact O-CB 3.26Å; I109-S113 WeakPolarHBondContact O-CB 3.29Å; I109-S113 PolarHBondContact O-N 3.34Å; I109-S113 PolarHBondContact O-OG 2.68Å; I109-T143 HydrophobicContact CB-CG2 4.29Å; I109-T143 HydrophobicContact CG2-CG2 4.07Å
110	L	47.6	Very low	46.6	Very low	4 Å²	4	59 Å²	59	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-47.8	175	-76.2	167	0	0	0	111.5	N106 F107 T108 S113 E114 T140 T143 E144 F173	N106-L110 WeakPolarHBondContact O-CG 2.99Å; N106-L110 PolarHBondContact O-N 3.44Å; F107-L110 WeakPolarHBondContact O-CB 3.44Å; F107-L110 PolarHBondContact O-N 2.62Å; T108-L110 VanDerWaalsContact C-N 3.3Å; T108-L110 PolarHBondContact O-N 3.47Å; L110-S113 WeakPolarHBondContact O-CB 3.48Å; L110-S113 PolarHBondContact O-N 2.89Å; L110-E114 WeakPolarHBondContact O-CB 3.44Å; L110-E114 PolarHBondContact O-N 3.17Å; L110-T140 HydrophobicContact CD2-CG2 3.67Å; L110-T143 HydrophobicContact CD1-CG2 4.44Å; L110-T143 HydrophobicContact CD2-CG2 4.21Å; L110-T143 HydrophobicContact CG-CG2 3.86Å; L110-E144 HydrophobicContact CD2-CB 4.26Å; L110-F173 HydrophobicContact CD2-CD2 4.49Å; L110-F173 HydrophobicContact CD2-CE2 4.13Å; L110-F173 HydrophobicContact CD2-CZ 4.36Å
111	L	46.6	Very low	46	Very low	45 Å²	45	60.9 Å²	60.9	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-38.1	177.4	-71.3	176.1	0	0	0	112.3	F107 T108 E114 M115 A165	F107-L111 HydrophobicContact CD1-CD1 3.69Å; F107-L111 HydrophobicContact CD1-CG 4.06Å; F107-L111 HydrophobicContact CE1-CD1 3.6Å; F107-L111 HydrophobicContact CE1-CD2 4.19Å; F107-L111 HydrophobicContact CE1-CG 3.9Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.69Å; T108-L111 PolarHBondContact O-N 3Å; L111-E114 PolarHBondContact O-N 3.23Å; L111-M115 VanDerWaalsContact O-CB 3.3Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 2.76Å; L111-A165 HydrophobicContact CD2-CB 4.42Å
112	E	50.1	Low	45.3	Very low	98 Å²	98	55.6 Å²	55.6	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-40.6	174.1	-76.8	177.3	-178.6	0	0	111	T108 I109 E114 M115 Q116	T108-E112 HydrophobicContact CG2-CG 4.29Å; T108-E112 WeakPolarHBondContact O-CB 3.06Å; T108-E112 WeakPolarHBondContact O-CG 3.31Å; T108-E112 PolarHBondContact O-N 3.44Å; I109-E112 PolarHBondContact O-N 3.01Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-M115 PolarHBondContact O-N 3.2Å; E112-Q116 WeakPolarHBondContact O-CB 3.35Å; E112-Q116 VanDerWaalsContact O-CG 3.28Å; E112-Q116 WeakPolarHBondContact O-CG 3.33Å; E112-Q116 PolarHBondContact O-N 2.87Å
113	S	48	Very low	44.6	Very low	27 Å²	27	53.6 Å²	53.6	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-40.3	174.2	-60.9	0	0	0	0	110.9	I109 L110 L117	I109-S113 VanDerWaalsContact O-CB 3.26Å; I109-S113 WeakPolarHBondContact O-CB 3.29Å; I109-S113 PolarHBondContact O-N 3.34Å; I109-S113 PolarHBondContact O-OG 2.68Å; L110-S113 WeakPolarHBondContact O-CB 3.48Å; L110-S113 PolarHBondContact O-N 2.89Å; S113-L117 WeakPolarHBondContact O-CB 3.48Å; S113-L117 PolarHBondContact O-N 3.26Å
114	E	44.1	Very low	43.9	Very low	30 Å²	30	56 Å²	56	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-39.9	173.9	-167.5	-165.7	157.3	0	0	111.4	L110 L111 E112 L117 N118 H168	L110-E114 WeakPolarHBondContact O-CB 3.44Å; L110-E114 PolarHBondContact O-N 3.17Å; L111-E114 PolarHBondContact O-N 3.23Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 WeakPolarHBondContact O-CB 3.4Å; E114-L117 PolarHBondContact O-N 2.9Å; E114-N118 VanDerWaalsContact O-CB 3.23Å; E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 VanDerWaalsContact O-CG 3.24Å; E114-N118 PolarHBondContact O-N 3.12Å; E114-N118 PolarHBondContact O-ND2 3.21Å; E114-H168 IonicContact OE1-CD2 3.14Å; E114-H168 PolarHBondContact OE1-CD2 2.87Å
115	M	46.1	Very low	43.2	Very low	104 Å²	104	58.9 Å²	58.9	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-68.1	-44.5	176.8	-173	-177.4	68.9	0	0	111	L111 E112 L117 N118 Q119	L111-M115 VanDerWaalsContact O-CB 3.3Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 2.76Å; E112-M115 PolarHBondContact O-N 3.2Å; M115-L117 VanDerWaalsContact C-N 3.27Å; M115-L117 PolarHBondContact O-N 2.72Å; M115-N118 CarbonylContact O-C 3.53Å; M115-N118 PolarHBondContact O-N 2.87Å; M115-Q119 WeakPolarHBondContact O-CB 3.46Å; M115-Q119 VanDerWaalsContact O-CG 3.3Å; M115-Q119 WeakPolarHBondContact O-CG 3.5Å; M115-Q119 PolarHBondContact O-N 3.16Å
116	Q	47.4	Very low	42.1	Very low	82 Å²	82	63 Å²	63	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-41.5	172.5	-76.5	-177	21.7	0	0	110.6	E112 Q119 H120	E112-Q116 WeakPolarHBondContact O-CB 3.35Å; E112-Q116 VanDerWaalsContact O-CG 3.28Å; E112-Q116 WeakPolarHBondContact O-CG 3.33Å; E112-Q116 PolarHBondContact O-N 2.87Å; Q116-Q119 PolarHBondContact O-N 3.35Å; Q116-H120 WeakPolarHBondContact O-CB 3.43Å; Q116-H120 PolarHBondContact O-N 2.78Å
117	L	42.2	Very low	41.1	Very low	37 Å²	37	66 Å²	66	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-58.7	-58.3	174.7	-176.9	68.3	0	0	0	108.8	S113 E114 M115 Q119 H120 L121 I132	S113-L117 WeakPolarHBondContact O-CB 3.48Å; S113-L117 PolarHBondContact O-N 3.26Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 WeakPolarHBondContact O-CB 3.4Å; E114-L117 PolarHBondContact O-N 2.9Å; M115-L117 VanDerWaalsContact C-N 3.27Å; M115-L117 PolarHBondContact O-N 2.72Å; L117-Q119 PolarHBondContact O-N 2.9Å; L117-H120 CarbonylContact O-C 3.52Å; L117-H120 VanDerWaalsContact O-CA 3.32Å; L117-H120 WeakPolarHBondContact O-CA 3.12Å; L117-H120 VanDerWaalsContact O-CB 3.28Å; L117-H120 WeakPolarHBondContact O-CB 3.28Å; L117-H120 PolarHBondContact O-N 3.34Å; L117-L121 HydrophobicContact CD1-CD2 4.25Å; L117-L121 HydrophobicContact CG-CD1 4.28Å; L117-L121 HydrophobicContact CG-CD2 4.31Å; L117-L121 HydrophobicContact CG-CG 4.16Å; L117-L121 VanDerWaalsContact O-CG 3.22Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.38Å; L117-I132 HydrophobicContact CD1-CB 4.49Å; L117-I132 HydrophobicContact CD1-CD1 3.19Å; L117-I132 HydrophobicContact CD1-CG1 3.29Å; L117-I132 HydrophobicContact CD1-CG2 4.47Å; L117-I132 HydrophobicContact CD2-CD1 3.93Å; L117-I132 HydrophobicContact CG-CD1 4.2Å
118	N	41.4	Very low	40.1	Very low	78 Å²	78	65.4 Å²	65.4	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-54.2	-36.6	177.4	-78.6	-30.2	0	0	0	112.9	E114 M115 A122	E114-N118 VanDerWaalsContact O-CB 3.23Å; E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 VanDerWaalsContact O-CG 3.24Å; E114-N118 PolarHBondContact O-N 3.12Å; E114-N118 PolarHBondContact O-ND2 3.21Å; M115-N118 CarbonylContact O-C 3.53Å; M115-N118 PolarHBondContact O-N 2.87Å; N118-A122 WeakPolarHBondContact O-CB 3.39Å; N118-A122 PolarHBondContact O-N 3.38Å
119	Q	41.3	Very low	39.2	Very low	114 Å²	114	64.8 Å²	64.8	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-43.3	172.2	-77.9	176.3	-6.4	0	0	111.4	M115 Q116 L117 A122 T123	M115-Q119 WeakPolarHBondContact O-CB 3.46Å; M115-Q119 VanDerWaalsContact O-CG 3.3Å; M115-Q119 WeakPolarHBondContact O-CG 3.5Å; M115-Q119 PolarHBondContact O-N 3.16Å; Q116-Q119 PolarHBondContact O-N 3.35Å; L117-Q119 PolarHBondContact O-N 2.9Å; Q119-A122 WeakPolarHBondContact O-CB 3.38Å; Q119-A122 PolarHBondContact O-N 2.86Å; Q119-T123 WeakPolarHBondContact O-CG2 3.48Å; Q119-T123 PolarHBondContact O-N 3.44Å; Q119-T123 PolarHBondContact O-OG1 3.31Å
120	H	37.4	Very low	38.3	Very low	107 Å²	107	64.1 Å²	64.1	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-40.2	174.6	-134.5	60.5	0	0	0	112.1	Q116 L117 A122 T123 T124 A128	Q116-H120 WeakPolarHBondContact O-CB 3.43Å; Q116-H120 PolarHBondContact O-N 2.78Å; L117-H120 CarbonylContact O-C 3.52Å; L117-H120 VanDerWaalsContact O-CA 3.32Å; L117-H120 WeakPolarHBondContact O-CA 3.12Å; L117-H120 VanDerWaalsContact O-CB 3.28Å; L117-H120 WeakPolarHBondContact O-CB 3.28Å; L117-H120 PolarHBondContact O-N 3.34Å; H120-A122 VanDerWaalsContact C-N 3.29Å; H120-T123 WeakPolarHBondContact CA-OG1 3.4Å; H120-T123 PolarHBondContact O-N 2.73Å; H120-T123 PolarHBondContact O-OG1 2.9Å; H120-T123 VanDerWaalsContact O-OG1 3.04Å; H120-T124 PolarHBondContact O-N 3.26Å; H120-T124 PolarHBondContact O-OG1 3.25Å; H120-A128 HydrophobicContact CB-CB 4.37Å; H120-A128 WeakPolarHBondContact O-CB 3.4Å
121	L	33	Very low	37.6	Very low	45 Å²	45	67 Å²	67	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-42	171.2	-56.9	-168.5	0	0	0	110.2	L117 T124 P125 A128	L117-L121 HydrophobicContact CD1-CD2 4.25Å; L117-L121 HydrophobicContact CG-CD1 4.28Å; L117-L121 HydrophobicContact CG-CD2 4.31Å; L117-L121 HydrophobicContact CG-CG 4.16Å; L117-L121 VanDerWaalsContact O-CG 3.22Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.38Å; L121-T124 CarbonylContact O-C 3.54Å; L121-T124 PolarHBondContact O-N 3.27Å; L121-P125 WeakPolarHBondContact O-CA 3.12Å; L121-A128 HydrophobicContact CD2-CB 4.15Å; L121-A128 WeakPolarHBondContact CD2-O 3.34Å
122	A	34.7	Very low	37.2	Very low	37 Å²	37	66.1 Å²	66.1	31%	0.306	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178.6	0	0	0	0	0	110.9	R63 N118 Q119 H120 T124	R63-A122 VanDerWaalsContact CZ-O 3.3Å; R63-A122 PolarHBondContact NH1-O 2.84Å; R63-A122 PolarHBondContact NH2-O 3.28Å; N118-A122 WeakPolarHBondContact O-CB 3.39Å; N118-A122 PolarHBondContact O-N 3.38Å; Q119-A122 WeakPolarHBondContact O-CB 3.38Å; Q119-A122 PolarHBondContact O-N 2.86Å; H120-A122 VanDerWaalsContact C-N 3.29Å; A122-T124 VanDerWaalsContact C-N 3.35Å
123	T	33.5	Very low	36.7	Very low	85 Å²	85	64.7 Å²	64.7	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-77.9	-19.4	-179.6	52.6	0	0	0	0	113.8	Q119 H120	Q119-T123 WeakPolarHBondContact O-CG2 3.48Å; Q119-T123 PolarHBondContact O-N 3.44Å; Q119-T123 PolarHBondContact O-OG1 3.31Å; H120-T123 WeakPolarHBondContact CA-OG1 3.4Å; H120-T123 PolarHBondContact O-N 2.73Å; H120-T123 PolarHBondContact O-OG1 2.9Å; H120-T123 VanDerWaalsContact O-OG1 3.04Å
124	T	32.8	Very low	36.4	Very low	54 Å²	54	67.4 Å²	67.4	33%	0.331	36%	0.358	S	S	.	.			trans	-145.5	65	-174.9	16.4	0	0	0	0	109.7	H120 L121 A122 E126 I127 A128	H120-T124 PolarHBondContact O-N 3.26Å; H120-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 CarbonylContact O-C 3.54Å; L121-T124 PolarHBondContact O-N 3.27Å; A122-T124 VanDerWaalsContact C-N 3.35Å; T124-E126 PolarHBondContact O-N 3.21Å; T124-E126 VanDerWaalsContact O-N 3.14Å; T124-I127 PolarHBondContact O-N 2.04Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.34Å; T124-A128 VanDerWaalsContact OG1-CB 3.29Å; T124-A128 WeakPolarHBondContact OG1-CB 3.28Å
125	P	31.2	Very low	36.4	Very low	76 Å²	76	72 Å²	72	49%	0.494	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.4	-171.2	22.5	-31.7	0	0	0	113.1	L121	L121-P125 WeakPolarHBondContact O-CA 3.12Å
126	E	29.6	Very low	36.3	Very low	142 Å²	142	73.3 Å²	73.3	66%	0.664	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.1	-177.5	-62	121	177	0	0	114.3	T124	T124-E126 PolarHBondContact O-N 3.21Å; T124-E126 VanDerWaalsContact O-N 3.14Å
127	I	28	Very low	36.2	Very low	92 Å²	92	70.1 Å²	70.1	47%	0.472	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-36.5	-168.6	-59.3	177.9	0	0	0	112.7	T124 S129 F130 V131	T124-I127 PolarHBondContact O-N 2.04Å; I127-S129 PolarHBondContact O-N 2.85Å; I127-F130 PolarHBondContact O-N 2.72Å; I127-V131 HydrophobicContact CG2-CB 4.32Å; I127-V131 HydrophobicContact CG2-CG2 3.48Å; I127-V131 VanDerWaalsContact CG2-CG2 3.48Å; I127-V131 WeakPolarHBondContact O-CG2 3.34Å; I127-V131 PolarHBondContact O-N 3.31Å
128	A	26.3	Very low	36.5	Very low	4 Å²	4	69.7 Å²	69.7	3%	0.033	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.5	-164.5	0	0	0	0	0	115.2	H120 L121 T124 F130	H120-A128 HydrophobicContact CB-CB 4.37Å; H120-A128 WeakPolarHBondContact O-CB 3.4Å; L121-A128 HydrophobicContact CD2-CB 4.15Å; L121-A128 WeakPolarHBondContact CD2-O 3.34Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.34Å; T124-A128 VanDerWaalsContact OG1-CB 3.29Å; T124-A128 WeakPolarHBondContact OG1-CB 3.28Å; A128-F130 PolarHBondContact O-N 2.89Å; A128-F130 VanDerWaalsContact O-N 3.09Å
129	S	29.5	Very low	37.1	Very low	41 Å²	41	70.6 Å²	70.6	29%	0.287	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.6	172.3	35.2	0	0	0	0	112.8	I127	I127-S129 PolarHBondContact O-N 2.85Å
130	F	32.5	Very low	37.5	Very low	45 Å²	45	65.8 Å²	65.8	20%	0.197	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-10.7	-171.8	-59	-59.4	0	0	0	114.2	I127 A128 T194 L198 H201 W260	I127-F130 PolarHBondContact O-N 2.72Å; A128-F130 PolarHBondContact O-N 2.89Å; A128-F130 VanDerWaalsContact O-N 3.09Å; F130-T194 HydrophobicContact CB-CG2 3.34Å; F130-T194 HydrophobicContact CD1-CG2 3.12Å; F130-T194 HydrophobicContact CD2-CG2 3.67Å; F130-T194 HydrophobicContact CE1-CG2 3.8Å; F130-T194 HydrophobicContact CE2-CG2 4.28Å; F130-T194 HydrophobicContact CG-CG2 3.04Å; F130-T194 HydrophobicContact CZ-CG2 4.34Å; F130-L198 HydrophobicContact CD2-CD2 3.89Å; F130-L198 HydrophobicContact CE2-CD2 4.45Å; F130-H201 AromaticContact CE2-CE1 3.9Å; F130-H201 AromaticContact CE2-NE2 3.4Å; F130-H201 WeakPolarHBondContact CE2-NE2 3.39Å; F130-W260 HydrophobicContact CD1-CH2 4.3Å; F130-W260 HydrophobicContact CD1-CZ2 4.44Å; F130-W260 AromaticContact CE1-CH2 3.25Å; F130-W260 HydrophobicContact CE1-CH2 3.25Å; F130-W260 AromaticContact CE1-CZ2 3.78Å; F130-W260 HydrophobicContact CE1-CZ2 3.78Å; F130-W260 HydrophobicContact CE1-CZ3 4.18Å; F130-W260 HydrophobicContact CE2-CH2 4.47Å; F130-W260 AromaticContact CZ-CH2 3.39Å; F130-W260 HydrophobicContact CZ-CH2 3.39Å; F130-W260 HydrophobicContact CZ-CZ2 4.18Å; F130-W260 HydrophobicContact CZ-CZ3 4.28Å
131	V	32.8	Very low	38.1	Very low	64 Å²	64	61.1 Å²	61.1	39%	0.388	33%	0.327	S	S	.	.			trans	-107	50.7	174	-165.3	0	0	0	0	109.4	I127 P133 Y191	I127-V131 HydrophobicContact CG2-CB 4.32Å; I127-V131 HydrophobicContact CG2-CG2 3.48Å; I127-V131 VanDerWaalsContact CG2-CG2 3.48Å; I127-V131 WeakPolarHBondContact O-CG2 3.34Å; I127-V131 PolarHBondContact O-N 3.31Å; V131-P133 WeakPolarHBondContact O-CD 3.07Å; V131-Y191 HydrophobicContact CG2-CE2 4.45Å
132	I	38.2	Very low	39.3	Very low	26 Å²	26	65 Å²	65	13%	0.133	34%	0.344	C	S	.	.			trans	-78.7	123.3	162.8	-49.2	166.6	0	0	0	105.7	L117 Y134 R136 L137	L117-I132 HydrophobicContact CD1-CB 4.49Å; L117-I132 HydrophobicContact CD1-CD1 3.19Å; L117-I132 HydrophobicContact CD1-CG1 3.29Å; L117-I132 HydrophobicContact CD1-CG2 4.47Å; L117-I132 HydrophobicContact CD2-CD1 3.93Å; L117-I132 HydrophobicContact CG-CD1 4.2Å; I132-Y134 PolarHBondContact O-N 3.46Å; I132-R136 HydrophobicContact CG2-CB 3.92Å; I132-L137 HydrophobicContact CB-CD1 3.99Å; I132-L137 HydrophobicContact CB-CD2 4.07Å; I132-L137 HydrophobicContact CB-CG 3.75Å; I132-L137 HydrophobicContact CD1-CD2 3.62Å; I132-L137 HydrophobicContact CD1-CG 4.25Å; I132-L137 HydrophobicContact CG1-CD2 4.48Å; I132-L137 HydrophobicContact CG2-CD1 4.42Å; I132-L137 HydrophobicContact CG2-CD2 3.91Å; I132-L137 HydrophobicContact CG2-CG 3.64Å
133	P	40.8	Very low	40.1	Very low	69 Å²	69	63.8 Å²	63.8	45%	0.448	33%	0.333	S	S	.	.			trans	-52.3	136	176.5	-24.7	32.4	0	0	0	110.6	V131 D135 R136 L137	V131-P133 WeakPolarHBondContact O-CD 3.07Å; P133-D135 PolarHBondContact O-N 3.25Å; P133-D135 VanDerWaalsContact O-N 3.15Å; P133-R136 WeakPolarHBondContact O-CA 3.35Å; P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.46Å; P133-L137 PolarHBondContact O-N 3.02Å; P133-L137 VanDerWaalsContact O-N 3.12Å
134	Y	40.5	Very low	41	Very low	84 Å²	84	60.1 Å²	60.1	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-49	-43	-179.9	174.6	-96.6	0	0	0	112.1	I132 R136 L137 S138 L180 M184 F187	I132-Y134 PolarHBondContact O-N 3.46Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 3.25Å; Y134-L137 PolarHBondContact O-N 3.47Å; Y134-S138 VanDerWaalsContact O-CB 3.31Å; Y134-S138 WeakPolarHBondContact O-CB 3.22Å; Y134-S138 PolarHBondContact O-N 3.39Å; Y134-L180 HydrophobicContact CE2-CD2 3.87Å; Y134-M184 PolarHBondContact OH-SD 3.32Å; Y134-F187 AromaticContact CD2-CD1 3.86Å; Y134-F187 HydrophobicContact CD2-CD1 3.86Å; Y134-F187 HydrophobicContact CD2-CE1 4.12Å; Y134-F187 HydrophobicContact CD2-CG 4.16Å
135	D	44.2	Very low	42.2	Very low	126 Å²	126	62.5 Å²	62.5	67%	0.674	32%	0.318	S	S	*	.	H	α-helix	trans	-60.7	-37.2	179.4	-56	-26.9	0	0	0	112.4	P133 H139	P133-D135 PolarHBondContact O-N 3.25Å; P133-D135 VanDerWaalsContact O-N 3.15Å; D135-H139 VanDerWaalsContact O-CB 3.29Å; D135-H139 WeakPolarHBondContact O-CB 3.4Å; D135-H139 PolarHBondContact O-N 3.09Å
136	R	44.8	Very low	43.3	Very low	132 Å²	132	60.6 Å²	60.6	50%	0.498	31%	0.308	S	S	.	.	H	α-helix	trans	-69.7	-47.4	176	-77.8	-169.2	174.6	-137.7	-3.2	111	I132 P133 Y134 S138 H139 T140	I132-R136 HydrophobicContact CG2-CB 3.92Å; P133-R136 WeakPolarHBondContact O-CA 3.35Å; P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.46Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 3.25Å; R136-S138 VanDerWaalsContact C-N 3.32Å; R136-S138 PolarHBondContact O-N 3.46Å; R136-H139 PolarHBondContact O-N 3.37Å; R136-T140 WeakPolarHBondContact O-CB 3.11Å; R136-T140 PolarHBondContact O-N 2.85Å; R136-T140 PolarHBondContact O-OG1 3.25Å
137	L	45.5	Very low	44.3	Very low	15 Å²	15	53.9 Å²	53.9	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-43.4	176.2	-76.9	176.5	0	0	0	111.8	I132 P133 Y134 T140 C141 I176 F187	I132-L137 HydrophobicContact CB-CD1 3.99Å; I132-L137 HydrophobicContact CB-CD2 4.07Å; I132-L137 HydrophobicContact CB-CG 3.75Å; I132-L137 HydrophobicContact CD1-CD2 3.62Å; I132-L137 HydrophobicContact CD1-CG 4.25Å; I132-L137 HydrophobicContact CG1-CD2 4.48Å; I132-L137 HydrophobicContact CG2-CD1 4.42Å; I132-L137 HydrophobicContact CG2-CD2 3.91Å; I132-L137 HydrophobicContact CG2-CG 3.64Å; P133-L137 PolarHBondContact O-N 3.02Å; P133-L137 VanDerWaalsContact O-N 3.12Å; Y134-L137 PolarHBondContact O-N 3.47Å; L137-T140 PolarHBondContact O-N 3.48Å; L137-C141 WeakPolarHBondContact O-CB 3.43Å; L137-C141 PolarHBondContact O-N 2.99Å; L137-C141 PolarHBondContact O-SG 2.73Å; L137-I176 HydrophobicContact CD2-CD1 4.23Å; L137-I176 HydrophobicContact CD2-CG2 3.91Å; L137-F187 HydrophobicContact CD1-CD2 4.43Å; L137-F187 HydrophobicContact CD1-CE2 3.38Å; L137-F187 HydrophobicContact CD1-CZ 3.8Å
138	S	49	Very low	45.4	Very low	28 Å²	28	52.2 Å²	52.2	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-48.5	175.8	-169.7	0	0	0	0	111.1	Y134 R136 T140 C141 Q142	Y134-S138 VanDerWaalsContact O-CB 3.31Å; Y134-S138 WeakPolarHBondContact O-CB 3.22Å; Y134-S138 PolarHBondContact O-N 3.39Å; R136-S138 VanDerWaalsContact C-N 3.32Å; R136-S138 PolarHBondContact O-N 3.46Å; S138-T140 PolarHBondContact O-N 3.43Å; S138-C141 PolarHBondContact O-N 3.06Å; S138-Q142 VanDerWaalsContact O-CG 3.32Å; S138-Q142 WeakPolarHBondContact O-CG 3.36Å; S138-Q142 PolarHBondContact O-N 3.3Å
139	H	52.7	Low	46.8	Very low	97 Å²	97	57.2 Å²	57.2	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-44.3	175.5	-179	-84.6	0	0	0	112.1	D135 R136 C141 Q142 T143	D135-H139 VanDerWaalsContact O-CB 3.29Å; D135-H139 WeakPolarHBondContact O-CB 3.4Å; D135-H139 PolarHBondContact O-N 3.09Å; R136-H139 PolarHBondContact O-N 3.37Å; H139-C141 VanDerWaalsContact C-N 3.34Å; H139-C141 PolarHBondContact O-N 3.42Å; H139-Q142 PolarHBondContact O-N 3.15Å; H139-T143 WeakPolarHBondContact O-CB 3.5Å; H139-T143 PolarHBondContact O-N 2.99Å; H139-T143 PolarHBondContact O-OG1 3.25Å
140	T	49.7	Very low	47.5	Very low	12 Å²	12	56.2 Å²	56.2	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-40.9	177.3	-52.4	0	0	0	0	111.4	L110 R136 L137 S138 T143 E144 F173	L110-T140 HydrophobicContact CD2-CG2 3.67Å; R136-T140 WeakPolarHBondContact O-CB 3.11Å; R136-T140 PolarHBondContact O-N 2.85Å; R136-T140 PolarHBondContact O-OG1 3.25Å; L137-T140 PolarHBondContact O-N 3.48Å; S138-T140 PolarHBondContact O-N 3.43Å; T140-T143 WeakPolarHBondContact O-CB 3.44Å; T140-T143 PolarHBondContact O-N 2.9Å; T140-E144 PolarHBondContact O-N 2.04Å; T140-F173 HydrophobicContact CG2-CD1 3.98Å; T140-F173 HydrophobicContact CG2-CE1 3.18Å; T140-F173 HydrophobicContact CG2-CE2 4.39Å; T140-F173 HydrophobicContact CG2-CZ 3.44Å; T140-F173 VanDerWaalsContact CG2-CZ 3.44Å
141	C	51.7	Low	48.2	Very low	10 Å²	10	54.6 Å²	54.6	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-38.9	176.2	-70	0	0	0	0	113.7	L137 S138 H139 T143 E144 Q145 C177 L180	L137-C141 WeakPolarHBondContact O-CB 3.43Å; L137-C141 PolarHBondContact O-N 2.99Å; L137-C141 PolarHBondContact O-SG 2.73Å; S138-C141 PolarHBondContact O-N 3.06Å; H139-C141 VanDerWaalsContact C-N 3.34Å; H139-C141 PolarHBondContact O-N 3.42Å; C141-T143 VanDerWaalsContact C-N 3.27Å; C141-T143 PolarHBondContact O-N 3.38Å; C141-E144 PolarHBondContact O-N 3.35Å; C141-Q145 WeakPolarHBondContact O-CB 3.01Å; C141-Q145 PolarHBondContact O-N 3.21Å; C141-C177 WeakPolarHBondContact CA-SG 3.46Å; C141-C177 HydrophobicContact CB-CB 3.53Å; C141-C177 WeakPolarHBondContact CB-SG 3.45Å; C141-C177 WeakPolarHBondContact SG-CA 3.31Å; C141-C177 WeakPolarHBondContact SG-CB 3.24Å; C141-C177 CovalentContact SG-SG 2.04Å; C141-C177 PolarHBondContact SG-SG 3.33Å; C141-L180 HydrophobicContact CB-CD1 4.31Å
142	Q	56.6	Low	48.7	Very low	125 Å²	125	54.5 Å²	54.5	58%	0.584	28%	0.277	S	S	*	.	H	α-helix	trans	-61.5	-39.5	170.7	-72.7	174.2	2.5	0	0	111.1	S138 H139 A146	S138-Q142 VanDerWaalsContact O-CG 3.32Å; S138-Q142 WeakPolarHBondContact O-CG 3.36Å; S138-Q142 PolarHBondContact O-N 3.3Å; H139-Q142 PolarHBondContact O-N 3.15Å; Q142-A146 VanDerWaalsContact O-CB 3.25Å; Q142-A146 WeakPolarHBondContact O-CB 3.39Å; Q142-A146 PolarHBondContact O-N 3.39Å
143	T	52.7	Low	49	Very low	13 Å²	13	59 Å²	59	8%	0.08	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-40.2	176.8	-51	0	0	0	0	111.4	N106 I109 L110 H139 T140 C141 T147	N106-T143 HydrophobicContact CB-CG2 3.9Å; I109-T143 HydrophobicContact CB-CG2 4.29Å; I109-T143 HydrophobicContact CG2-CG2 4.07Å; L110-T143 HydrophobicContact CD1-CG2 4.44Å; L110-T143 HydrophobicContact CD2-CG2 4.21Å; L110-T143 HydrophobicContact CG-CG2 3.86Å; H139-T143 WeakPolarHBondContact O-CB 3.5Å; H139-T143 PolarHBondContact O-N 2.99Å; H139-T143 PolarHBondContact O-OG1 3.25Å; T140-T143 WeakPolarHBondContact O-CB 3.44Å; T140-T143 PolarHBondContact O-N 2.9Å; C141-T143 VanDerWaalsContact C-N 3.27Å; C141-T143 PolarHBondContact O-N 3.38Å; T143-T147 WeakPolarHBondContact O-CB 3.32Å; T143-T147 PolarHBondContact O-N 3.13Å; T143-T147 PolarHBondContact O-OG1 2.69Å
144	E	52.5	Low	49.1	Very low	8 Å²	8	57.5 Å²	57.5	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-47.8	175.9	-165.6	-86.6	165.5	0	0	111.7	L110 T140 C141 A146 T147 R148 F173	L110-E144 HydrophobicContact CD2-CB 4.26Å; T140-E144 PolarHBondContact O-N 2.04Å; C141-E144 PolarHBondContact O-N 3.35Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.76Å; E144-T147 CarbonylContact O-C 3.58Å; E144-T147 WeakPolarHBondContact O-CA 3.28Å; E144-T147 WeakPolarHBondContact O-CB 3.37Å; E144-T147 PolarHBondContact O-N 2.76Å; E144-R148 PolarHBondContact O-N 2.83Å; E144-R148 WeakPolarHBondContact OE1-CD 3.48Å; E144-R148 WeakPolarHBondContact OE1-CG 3.46Å; E144-R148 IonicContact OE1-CZ 3.74Å; E144-R148 IonicContact OE1-NE 2.65Å; E144-R148 PolarHBondContact OE1-NE 3.29Å; E144-R148 IonicContact OE1-NH1 2.66Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.02Å; E144-R148 IonicContact OE2-NE 3.78Å; E144-F173 HydrophobicContact CG-CB 3.91Å; E144-F173 HydrophobicContact CG-CG 4.37Å
145	Q	56.8	Low	49.4	Very low	104 Å²	104	54.3 Å²	54.3	49%	0.486	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177	-171.9	146	3.5	0	0	111.2	C141 T147 R148 D149	C141-Q145 WeakPolarHBondContact O-CB 3.01Å; C141-Q145 PolarHBondContact O-N 3.21Å; Q145-T147 PolarHBondContact O-N 3.22Å; Q145-R148 PolarHBondContact O-N 2.89Å; Q145-D149 WeakPolarHBondContact O-CB 3.42Å; Q145-D149 VanDerWaalsContact O-CG 3.22Å; Q145-D149 PolarHBondContact O-N 3.15Å
146	A	55.5	Low	49.4	Very low	35 Å²	35	48.6 Å²	48.6	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-35.9	171.8	0	0	0	0	0	112.1	Q142 E144 C150	Q142-A146 VanDerWaalsContact O-CB 3.25Å; Q142-A146 WeakPolarHBondContact O-CB 3.39Å; Q142-A146 PolarHBondContact O-N 3.39Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.76Å; A146-C150 WeakPolarHBondContact O-CB 3.04Å; A146-C150 PolarHBondContact O-N 3.2Å; A146-C150 VanDerWaalsContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 3.26Å
147	T	50.6	Low	49.4	Very low	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-42.8	176.6	-50.7	0	0	0	0	111.7	N106 T143 E144 Q145 C150 I151 W156	N106-T147 VanDerWaalsContact CB-OG1 3.26Å; N106-T147 WeakPolarHBondContact CB-OG1 3.31Å; T143-T147 WeakPolarHBondContact O-CB 3.32Å; T143-T147 PolarHBondContact O-N 3.13Å; T143-T147 PolarHBondContact O-OG1 2.69Å; E144-T147 CarbonylContact O-C 3.58Å; E144-T147 WeakPolarHBondContact O-CA 3.28Å; E144-T147 WeakPolarHBondContact O-CB 3.37Å; E144-T147 PolarHBondContact O-N 2.76Å; Q145-T147 PolarHBondContact O-N 3.22Å; T147-C150 PolarHBondContact O-N 3.34Å; T147-I151 PolarHBondContact O-N 3.48Å; T147-W156 HydrophobicContact CG2-CH2 3.96Å; T147-W156 HydrophobicContact CG2-CZ3 3.53Å
148	R	51.5	Low	49.4	Very low	58 Å²	58	51.5 Å²	51.5	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-41	174.5	-77.8	-170.8	170.8	174.3	6.7	112.5	E144 Q145 C150 I151 W156 D170	E144-R148 PolarHBondContact O-N 2.83Å; E144-R148 WeakPolarHBondContact OE1-CD 3.48Å; E144-R148 WeakPolarHBondContact OE1-CG 3.46Å; E144-R148 IonicContact OE1-CZ 3.74Å; E144-R148 IonicContact OE1-NE 2.65Å; E144-R148 PolarHBondContact OE1-NE 3.29Å; E144-R148 IonicContact OE1-NH1 2.66Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.02Å; E144-R148 IonicContact OE2-NE 3.78Å; Q145-R148 PolarHBondContact O-N 2.89Å; R148-C150 PolarHBondContact O-N 2.83Å; R148-I151 CarbonylContact O-C 3.6Å; R148-I151 PolarHBondContact O-N 2.73Å; R148-W156 HydrophobicContact CG-CZ2 4.45Å; R148-D170 IonicContact CZ-OD1 2.69Å; R148-D170 IonicContact NE-OD1 3.27Å; R148-D170 IonicContact NH2-OD1 2.73Å; R148-D170 PolarHBondContact NH2-OD1 2.93Å
149	D	54.6	Low	49	Very low	109 Å²	109	50.4 Å²	50.4	58%	0.583	26%	0.263	S	S	*	.	H	α-helix	trans	-66.7	-28.7	176.1	-68.3	-20.9	0	0	0	110.9	R99 Q145	R99-D149 PolarHBondContact NH2-O 3.42Å; Q145-D149 WeakPolarHBondContact O-CB 3.42Å; Q145-D149 VanDerWaalsContact O-CG 3.22Å; Q145-D149 PolarHBondContact O-N 3.15Å
150	C	45.3	Very low	48.5	Very low	20 Å²	20	46.2 Å²	46.2	14%	0.135	25%	0.246	C	C	.	.	H	α-helix	trans	-81.6	-23.1	177.5	-68	0	0	0	0	114.3	R99 C103 A146 T147 R148	R99-C150 WeakPolarHBondContact CD-O 3.4Å; R99-C150 HydrophobicContact CG-CB 4.29Å; R99-C150 WeakPolarHBondContact CG-O 3Å; R99-C150 PolarHBondContact NE-O 2.97Å; C103-C150 WeakPolarHBondContact SG-CB 3.29Å; A146-C150 WeakPolarHBondContact O-CB 3.04Å; A146-C150 PolarHBondContact O-N 3.2Å; A146-C150 VanDerWaalsContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 3.26Å; T147-C150 PolarHBondContact O-N 3.34Å; R148-C150 PolarHBondContact O-N 2.83Å
151	I	45.8	Very low	48.3	Very low	10 Å²	10	52.2 Å²	52.2	5%	0.051	27%	0.273	C	S	.	.	S	Bend	trans	-115.5	114.1	176.2	-58.4	-177.6	0	0	0	108.5	V88 C92 C103 T147 R148 M153 P155 W156	V88-I151 HydrophobicContact CG1-CD1 4.39Å; C92-I151 HydrophobicContact CB-CG2 4.47Å; C103-I151 HydrophobicContact CB-CD1 4.22Å; C103-I151 HydrophobicContact CB-CG1 4.3Å; C103-I151 WeakPolarHBondContact SG-CG1 3.46Å; T147-I151 PolarHBondContact O-N 3.48Å; R148-I151 CarbonylContact O-C 3.6Å; R148-I151 PolarHBondContact O-N 2.73Å; I151-M153 PolarHBondContact O-N 3.29Å; I151-P155 HydrophobicContact CG2-CB 3.68Å; I151-W156 HydrophobicContact CB-CB 4.46Å; I151-W156 HydrophobicContact CB-CE3 4.13Å; I151-W156 HydrophobicContact CD1-CE3 3.93Å; I151-W156 HydrophobicContact CD1-CZ3 4.17Å; I151-W156 HydrophobicContact CG1-CE3 4.47Å; I151-W156 HydrophobicContact CG2-CB 3.96Å; I151-W156 HydrophobicContact CG2-CE3 4.45Å
152	P	44.6	Very low	47.9	Very low	62 Å²	62	55.9 Å²	55.9	40%	0.403	30%	0.299	S	S	.	.			trans	-50.7	141.2	176.8	-21.9	30.2	0	0	0	110.7	G154 P155 W156	P152-G154 PolarHBondContact O-N 2.77Å; P152-P155 HydrophobicContact CB-CG 4.07Å; P152-P155 HydrophobicContact CG-CG 4.36Å; P152-P155 WeakPolarHBondContact O-CB 3.42Å; P152-P155 WeakPolarHBondContact O-CD 3.19Å; P152-P155 VanDerWaalsContact O-N 3.13Å; P152-W156 PolarHBondContact O-N 2.76Å
153	M	43.4	Very low	47.2	Very low	120 Å²	120	52 Å²	52	59%	0.591	28%	0.281	S	S	*	.	H	α-helix	trans	-51.3	-38.8	-169.5	-174.4	67.6	89.6	0	0	113.4	I151 W156 L157	I151-M153 PolarHBondContact O-N 3.29Å; M153-W156 PolarHBondContact O-N 2.81Å; M153-L157 HydrophobicContact CG-CD1 4.21Å; M153-L157 WeakPolarHBondContact O-CG 3.15Å; M153-L157 PolarHBondContact O-N 2.83Å
154	G	43.2	Very low	46.7	Very low	39 Å²	39	55.9 Å²	55.9	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-57.4	176.9	0	0	0	0	0	113.3	P152 W156 L157 R158	P152-G154 PolarHBondContact O-N 2.77Å; G154-W156 VanDerWaalsContact C-N 3.34Å; G154-W156 PolarHBondContact O-N 3.39Å; G154-L157 PolarHBondContact O-N 3.5Å; G154-R158 PolarHBondContact O-N 3.23Å
155	P	47	Very low	46.2	Very low	16 Å²	16	56.3 Å²	56.3	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-50.8	-43.3	167.3	-28.5	30.1	0	0	0	114.9	C92 I151 P152 L157 R158 C159	C92-P155 HydrophobicContact CB-CB 3.93Å; I151-P155 HydrophobicContact CG2-CB 3.68Å; P152-P155 HydrophobicContact CB-CG 4.07Å; P152-P155 HydrophobicContact CG-CG 4.36Å; P152-P155 WeakPolarHBondContact O-CB 3.42Å; P152-P155 WeakPolarHBondContact O-CD 3.19Å; P152-P155 VanDerWaalsContact O-N 3.13Å; P155-L157 PolarHBondContact O-N 2.78Å; P155-R158 PolarHBondContact O-N 3.39Å; P155-C159 WeakPolarHBondContact O-CB 3.3Å; P155-C159 PolarHBondContact O-N 2.82Å; P155-C159 PolarHBondContact O-SG 2.87Å
156	W	45.2	Very low	45.5	Very low	7 Å²	7	51.7 Å²	51.7	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-49.7	179.3	178.5	-99.6	0	0	0	111.9	T147 R148 I151 P152 M153 G154 R158 C159 A160 V166 D170	T147-W156 HydrophobicContact CG2-CH2 3.96Å; T147-W156 HydrophobicContact CG2-CZ3 3.53Å; R148-W156 HydrophobicContact CG-CZ2 4.45Å; I151-W156 HydrophobicContact CB-CB 4.46Å; I151-W156 HydrophobicContact CB-CE3 4.13Å; I151-W156 HydrophobicContact CD1-CE3 3.93Å; I151-W156 HydrophobicContact CD1-CZ3 4.17Å; I151-W156 HydrophobicContact CG1-CE3 4.47Å; I151-W156 HydrophobicContact CG2-CB 3.96Å; I151-W156 HydrophobicContact CG2-CE3 4.45Å; P152-W156 PolarHBondContact O-N 2.76Å; M153-W156 PolarHBondContact O-N 2.81Å; G154-W156 VanDerWaalsContact C-N 3.34Å; G154-W156 PolarHBondContact O-N 3.39Å; W156-R158 VanDerWaalsContact C-N 3.32Å; W156-R158 PolarHBondContact O-N 3.01Å; W156-C159 CarbonylContact O-C 3.5Å; W156-C159 PolarHBondContact O-N 3.26Å; W156-C159 VanDerWaalsContact O-N 3.14Å; W156-A160 WeakPolarHBondContact O-CB 3.41Å; W156-A160 PolarHBondContact O-N 3.31Å; W156-V166 HydrophobicContact CH2-CG1 4.15Å; W156-V166 HydrophobicContact CZ2-CG1 4.06Å; W156-V166 HydrophobicContact CZ3-CG1 4.41Å; W156-D170 HydrophobicContact CZ2-CB 4.42Å; W156-D170 PolarHBondContact NE1-OD1 3.36Å
157	L	43	Very low	44.9	Very low	91 Å²	91	54.3 Å²	54.3	48%	0.476	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-41.7	179.2	-69.6	170.4	0	0	0	112	M153 G154 P155 A160 E161	M153-L157 HydrophobicContact CG-CD1 4.21Å; M153-L157 WeakPolarHBondContact O-CG 3.15Å; M153-L157 PolarHBondContact O-N 2.83Å; G154-L157 PolarHBondContact O-N 3.5Å; P155-L157 PolarHBondContact O-N 2.78Å; L157-A160 PolarHBondContact O-N 2.92Å; L157-E161 WeakPolarHBondContact O-CG 3.35Å; L157-E161 PolarHBondContact O-N 3.3Å
158	R	45.4	Very low	44.5	Very low	117 Å²	117	57.6 Å²	57.6	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-39.5	175.7	-72.6	-175.7	-72.3	-177	4.9	112.4	S93 G154 P155 W156 E161 S162	S93-R158 PolarHBondContact OG-NH2 2.03Å; G154-R158 PolarHBondContact O-N 3.23Å; P155-R158 PolarHBondContact O-N 3.39Å; W156-R158 VanDerWaalsContact C-N 3.32Å; W156-R158 PolarHBondContact O-N 3.01Å; R158-E161 PolarHBondContact O-N 3.43Å; R158-S162 WeakPolarHBondContact O-CB 3.3Å; R158-S162 PolarHBondContact O-N 3.3Å; R158-S162 VanDerWaalsContact O-N 3.11Å; R158-S162 PolarHBondContact O-OG 3.48Å
159	C	41.6	Very low	44.2	Very low	4 Å²	4	55.1 Å²	55.1	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-38.9	176.5	-66.8	0	0	0	0	110.6	A91 C92 P155 W156 S162 M163	A91-C159 WeakPolarHBondContact CB-SG 3.41Å; C92-C159 VanDerWaalsContact CA-SG 3.52Å; C92-C159 WeakPolarHBondContact CB-SG 3.06Å; C92-C159 PolarHBondContact N-SG 3.26Å; C92-C159 WeakPolarHBondContact SG-CB 3.23Å; C92-C159 CovalentContact SG-SG 2.07Å; C92-C159 PolarHBondContact SG-SG 3.29Å; P155-C159 WeakPolarHBondContact O-CB 3.3Å; P155-C159 PolarHBondContact O-N 2.82Å; P155-C159 PolarHBondContact O-SG 2.87Å; W156-C159 CarbonylContact O-C 3.5Å; W156-C159 PolarHBondContact O-N 3.26Å; W156-C159 VanDerWaalsContact O-N 3.14Å; C159-S162 PolarHBondContact O-N 2.86Å; C159-M163 VanDerWaalsContact O-CB 3.28Å; C159-M163 WeakPolarHBondContact O-CB 3.41Å; C159-M163 WeakPolarHBondContact O-CG 3.37Å; C159-M163 PolarHBondContact O-N 2.87Å
160	A	42.7	Very low	43.8	Very low	10 Å²	10	50.9 Å²	50.9	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-33.9	173.1	0	0	0	0	0	114.1	W156 L157 S162 V166 R167	W156-A160 WeakPolarHBondContact O-CB 3.41Å; W156-A160 PolarHBondContact O-N 3.31Å; L157-A160 PolarHBondContact O-N 2.92Å; A160-S162 VanDerWaalsContact C-N 3.32Å; A160-V166 HydrophobicContact CB-CB 4.41Å; A160-V166 HydrophobicContact CB-CG1 3.77Å; A160-R167 PolarHBondContact O-NE 3.4Å
161	E	44.9	Very low	43.8	Very low	138 Å²	138	50.4 Å²	50.4	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-65.2	-40	172.5	-78.2	-178.4	167.7	0	0	111.5	L157 R158 R167	L157-E161 WeakPolarHBondContact O-CG 3.35Å; L157-E161 PolarHBondContact O-N 3.3Å; R158-E161 PolarHBondContact O-N 3.43Å; E161-R167 PolarHBondContact O-NH2 3.17Å
162	S	44.3	Very low	43.8	Very low	86 Å²	86	52.4 Å²	52.4	60%	0.601	29%	0.285	S	S	*	.	H	α-helix	trans	-84.5	-24.3	-175	-52.2	0	0	0	0	113.8	R158 C159 A160	R158-S162 WeakPolarHBondContact O-CB 3.3Å; R158-S162 PolarHBondContact O-N 3.3Å; R158-S162 VanDerWaalsContact O-N 3.11Å; R158-S162 PolarHBondContact O-OG 3.48Å; C159-S162 PolarHBondContact O-N 2.86Å; A160-S162 VanDerWaalsContact C-N 3.32Å
163	M	40.9	Very low	43.9	Very low	44 Å²	44	49.9 Å²	49.9	22%	0.217	27%	0.268	C	S	.	.			trans	-123.4	105.8	-173.5	-59.6	-175.4	80.1	0	0	111	L84 C159 A165 V166 R167	L84-M163 HydrophobicContact CD2-CE 4.38Å; C159-M163 VanDerWaalsContact O-CB 3.28Å; C159-M163 WeakPolarHBondContact O-CB 3.41Å; C159-M163 WeakPolarHBondContact O-CG 3.37Å; C159-M163 PolarHBondContact O-N 2.87Å; M163-A165 PolarHBondContact O-N 3.4Å; M163-A165 VanDerWaalsContact O-N 3.15Å; M163-V166 HydrophobicContact CB-CB 4.13Å; M163-V166 HydrophobicContact CB-CG2 3.65Å; M163-V166 HydrophobicContact CG-CG2 4.42Å; M163-V166 PolarHBondContact O-N 3.44Å; M163-V166 VanDerWaalsContact O-N 3.08Å; M163-V166 HydrophobicContact SD-CG2 4.11Å; M163-R167 PolarHBondContact O-N 3.32Å; M163-R167 VanDerWaalsContact O-N 3.16Å
164	P	43	Very low	43.9	Very low	95 Å²	95	50.3 Å²	50.3	62%	0.617	26%	0.263	S	S	*	.	H	α-helix	trans	-55.2	-34.1	-179.9	-28.1	35.1	0	0	0	114.3	R167 H168	P164-R167 WeakPolarHBondContact O-CB 3.33Å; P164-R167 PolarHBondContact O-N 3.17Å; P164-H168 WeakPolarHBondContact O-CB 3.01Å; P164-H168 PolarHBondContact O-N 2.81Å
165	A	41.8	Very low	43.8	Very low	17 Å²	17	49.8 Å²	49.8	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-43.6	177.4	0	0	0	0	0	112.3	L111 M163 R167 H168 A169	L111-A165 HydrophobicContact CD2-CB 4.42Å; M163-A165 PolarHBondContact O-N 3.4Å; M163-A165 VanDerWaalsContact O-N 3.15Å; A165-R167 VanDerWaalsContact C-N 3.27Å; A165-R167 PolarHBondContact O-N 3.06Å; A165-H168 PolarHBondContact O-N 3.45Å; A165-A169 WeakPolarHBondContact O-CB 3.07Å; A165-A169 PolarHBondContact O-N 3.31Å
166	V	41	Very low	43.6	Very low	7 Å²	7	51.2 Å²	51.2	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-40.9	174.7	179.4	0	0	0	0	109.6	F107 W156 A160 M163 D170	F107-V166 HydrophobicContact CE1-CG2 4.3Å; F107-V166 HydrophobicContact CE2-CB 4.23Å; F107-V166 HydrophobicContact CE2-CG1 4.48Å; F107-V166 HydrophobicContact CE2-CG2 3.57Å; F107-V166 HydrophobicContact CZ-CB 4.18Å; F107-V166 HydrophobicContact CZ-CG2 3.36Å; W156-V166 HydrophobicContact CH2-CG1 4.15Å; W156-V166 HydrophobicContact CZ2-CG1 4.06Å; W156-V166 HydrophobicContact CZ3-CG1 4.41Å; A160-V166 HydrophobicContact CB-CB 4.41Å; A160-V166 HydrophobicContact CB-CG1 3.77Å; M163-V166 HydrophobicContact CB-CB 4.13Å; M163-V166 HydrophobicContact CB-CG2 3.65Å; M163-V166 HydrophobicContact CG-CG2 4.42Å; M163-V166 PolarHBondContact O-N 3.44Å; M163-V166 VanDerWaalsContact O-N 3.08Å; M163-V166 HydrophobicContact SD-CG2 4.11Å; V166-D170 WeakPolarHBondContact O-CB 3.41Å; V166-D170 PolarHBondContact O-N 2.67Å
167	R	43.6	Very low	43.6	Very low	89 Å²	89	51.2 Å²	51.2	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-39.9	176.2	-163.3	-176.3	-61.1	-169.6	3.5	112.8	A160 E161 M163 P164 A165 A171	A160-R167 PolarHBondContact O-NE 3.4Å; E161-R167 PolarHBondContact O-NH2 3.17Å; M163-R167 PolarHBondContact O-N 3.32Å; M163-R167 VanDerWaalsContact O-N 3.16Å; P164-R167 WeakPolarHBondContact O-CB 3.33Å; P164-R167 PolarHBondContact O-N 3.17Å; A165-R167 VanDerWaalsContact C-N 3.27Å; A165-R167 PolarHBondContact O-N 3.06Å; R167-A171 VanDerWaalsContact O-CB 3.27Å; R167-A171 WeakPolarHBondContact O-CB 3.49Å; R167-A171 PolarHBondContact O-N 3.08Å
168	H	42.4	Very low	43.7	Very low	71 Å²	71	51.5 Å²	51.5	33%	0.329	26%	0.258	S	S	.	.	H	α-helix	trans	-68.1	-47.6	179.3	-160.4	79	0	0	0	111.1	E114 P164 A165 A171 I172	E114-H168 IonicContact OE1-CD2 3.14Å; E114-H168 PolarHBondContact OE1-CD2 2.87Å; P164-H168 WeakPolarHBondContact O-CB 3.01Å; P164-H168 PolarHBondContact O-N 2.81Å; A165-H168 PolarHBondContact O-N 3.45Å; H168-A171 PolarHBondContact O-N 3.48Å; H168-I172 VanDerWaalsContact CD2-CD1 3.43Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.32Å; H168-I172 VanDerWaalsContact NE2-CD1 3.27Å; H168-I172 WeakPolarHBondContact NE2-CD1 3.14Å; H168-I172 WeakPolarHBondContact O-CG1 3.26Å; H168-I172 PolarHBondContact O-N 2.88Å
169	A	44.6	Very low	43.4	Very low	5 Å²	5	49.6 Å²	49.6	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-51	172.1	0	0	0	0	0	110.5	A165 A171 I172 F173	A165-A169 WeakPolarHBondContact O-CB 3.07Å; A165-A169 PolarHBondContact O-N 3.31Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.27Å; A169-I172 PolarHBondContact O-N 3.17Å; A169-F173 HydrophobicContact CB-CD2 3.9Å; A169-F173 HydrophobicContact CB-CE2 3.99Å; A169-F173 VanDerWaalsContact O-CB 3.25Å; A169-F173 WeakPolarHBondContact O-CB 3Å; A169-F173 WeakPolarHBondContact O-CD2 2.99Å; A169-F173 WeakPolarHBondContact O-CG 3.33Å; A169-F173 PolarHBondContact O-N 2.89Å
170	D	45.4	Very low	43.2	Very low	21 Å²	21	50.6 Å²	50.6	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-43.2	178.4	-167.1	72.9	0	0	0	111.6	R148 W156 V166 R174	R148-D170 IonicContact CZ-OD1 2.69Å; R148-D170 IonicContact NE-OD1 3.27Å; R148-D170 IonicContact NH2-OD1 2.73Å; R148-D170 PolarHBondContact NH2-OD1 2.93Å; W156-D170 HydrophobicContact CZ2-CB 4.42Å; W156-D170 PolarHBondContact NE1-OD1 3.36Å; V166-D170 WeakPolarHBondContact O-CB 3.41Å; V166-D170 PolarHBondContact O-N 2.67Å; D170-R174 WeakPolarHBondContact O-CA 3.48Å; D170-R174 WeakPolarHBondContact O-CB 3.26Å; D170-R174 PolarHBondContact O-N 2.91Å
171	A	46.4	Very low	43.2	Very low	10 Å²	10	53.7 Å²	53.7	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-44.7	179	0	0	0	0	0	113.3	R167 H168 A169 V175 V270	R167-A171 VanDerWaalsContact O-CB 3.27Å; R167-A171 WeakPolarHBondContact O-CB 3.49Å; R167-A171 PolarHBondContact O-N 3.08Å; H168-A171 PolarHBondContact O-N 3.48Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.27Å; A171-V175 WeakPolarHBondContact O-CG2 3.42Å; A171-V270 HydrophobicContact CB-CG2 3.71Å
172	I	44.7	Very low	43.1	Very low	51 Å²	51	53.2 Å²	53.2	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-45.8	178.2	-69.7	178.1	0	0	0	110.2	H168 A169 V175 I176	H168-I172 VanDerWaalsContact CD2-CD1 3.43Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.32Å; H168-I172 VanDerWaalsContact NE2-CD1 3.27Å; H168-I172 WeakPolarHBondContact NE2-CD1 3.14Å; H168-I172 WeakPolarHBondContact O-CG1 3.26Å; H168-I172 PolarHBondContact O-N 2.88Å; A169-I172 PolarHBondContact O-N 3.17Å; I172-V175 PolarHBondContact O-N 3.43Å; I172-I176 HydrophobicContact CG2-CD1 3.91Å; I172-I176 WeakPolarHBondContact O-CG1 3.25Å; I172-I176 PolarHBondContact O-N 2.83Å
173	F	46.7	Very low	42.8	Very low	10 Å²	10	57 Å²	57	4%	0.044	28%	0.279	C	S	.	.	H	α-helix	trans	-80.8	-29.2	-173.5	-66.5	-58.6	0	0	0	113.6	L110 T140 E144 A169 V175 I176 C177	L110-F173 HydrophobicContact CD2-CD2 4.49Å; L110-F173 HydrophobicContact CD2-CE2 4.13Å; L110-F173 HydrophobicContact CD2-CZ 4.36Å; T140-F173 HydrophobicContact CG2-CD1 3.98Å; T140-F173 HydrophobicContact CG2-CE1 3.18Å; T140-F173 HydrophobicContact CG2-CE2 4.39Å; T140-F173 HydrophobicContact CG2-CZ 3.44Å; T140-F173 VanDerWaalsContact CG2-CZ 3.44Å; E144-F173 HydrophobicContact CG-CB 3.91Å; E144-F173 HydrophobicContact CG-CG 4.37Å; A169-F173 HydrophobicContact CB-CD2 3.9Å; A169-F173 HydrophobicContact CB-CE2 3.99Å; A169-F173 VanDerWaalsContact O-CB 3.25Å; A169-F173 WeakPolarHBondContact O-CB 3Å; A169-F173 WeakPolarHBondContact O-CD2 2.99Å; A169-F173 WeakPolarHBondContact O-CG 3.33Å; A169-F173 PolarHBondContact O-N 2.89Å; F173-V175 PolarHBondContact O-N 3.22Å; F173-I176 PolarHBondContact O-N 3.3Å; F173-C177 WeakPolarHBondContact O-CA 3.47Å; F173-C177 WeakPolarHBondContact O-CB 3.34Å; F173-C177 PolarHBondContact O-N 2.82Å; F173-C177 PolarHBondContact O-SG 2.82Å
174	R	44.8	Very low	42.7	Very low	129 Å²	129	61.4 Å²	61.4	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-30.9	172	-170.1	175.9	-166.4	178.4	4.9	111.7	D170 Q178	D170-R174 WeakPolarHBondContact O-CA 3.48Å; D170-R174 WeakPolarHBondContact O-CB 3.26Å; D170-R174 PolarHBondContact O-N 2.91Å; R174-Q178 WeakPolarHBondContact O-CB 2.97Å
175	V	40.7	Very low	42.3	Very low	27 Å²	27	67.2 Å²	67.2	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-74.3	-48.3	175.8	178.3	0	0	0	0	111.1	A171 I172 F173 A263	A171-V175 WeakPolarHBondContact O-CG2 3.42Å; I172-V175 PolarHBondContact O-N 3.43Å; F173-V175 PolarHBondContact O-N 3.22Å; V175-A263 HydrophobicContact CB-CB 4.36Å; V175-A263 HydrophobicContact CG1-CB 3.48Å; V175-A263 VanDerWaalsContact CG1-CB 3.48Å; V175-A263 HydrophobicContact CG2-CB 4.01Å
176	I	42.8	Very low	42.4	Very low	47 Å²	47	67.4 Å²	67.4	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-74.7	-47.1	-173.8	-62.3	173.9	0	0	0	111.1	L137 I172 F173 L180	L137-I176 HydrophobicContact CD2-CD1 4.23Å; L137-I176 HydrophobicContact CD2-CG2 3.91Å; I172-I176 HydrophobicContact CG2-CD1 3.91Å; I172-I176 WeakPolarHBondContact O-CG1 3.25Å; I172-I176 PolarHBondContact O-N 2.83Å; F173-I176 PolarHBondContact O-N 3.3Å; I176-L180 HydrophobicContact CG2-CD1 4.3Å; I176-L180 PolarHBondContact O-N 2.87Å
177	C	45.9	Very low	42.3	Very low	7 Å²	7	69 Å²	69	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-92.5	-37.5	-164.8	-54.8	0	0	0	0	113.7	C141 F173 R179 L180 S181	C141-C177 WeakPolarHBondContact CA-SG 3.46Å; C141-C177 HydrophobicContact CB-CB 3.53Å; C141-C177 WeakPolarHBondContact CB-SG 3.45Å; C141-C177 WeakPolarHBondContact SG-CA 3.31Å; C141-C177 WeakPolarHBondContact SG-CB 3.24Å; C141-C177 CovalentContact SG-SG 2.04Å; C141-C177 PolarHBondContact SG-SG 3.33Å; F173-C177 WeakPolarHBondContact O-CA 3.47Å; F173-C177 WeakPolarHBondContact O-CB 3.34Å; F173-C177 PolarHBondContact O-N 2.82Å; F173-C177 PolarHBondContact O-SG 2.82Å; C177-R179 PolarHBondContact O-N 2.96Å; C177-L180 PolarHBondContact O-N 2.83Å; C177-S181 PolarHBondContact O-N 2.65Å
178	Q	44.1	Very low	42.1	Very low	97 Å²	97	71.6 Å²	71.6	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-15.2	176.8	-157	178	-7.2	0	0	112.1	R174 S181	R174-Q178 WeakPolarHBondContact O-CB 2.97Å; Q178-S181 PolarHBondContact O-OG 3.05Å; Q178-S181 VanDerWaalsContact O-OG 3.13Å
179	R	40.2	Very low	42.2	Very low	76 Å²	76	70.3 Å²	70.3	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-111.1	-16.9	178.5	-68.1	-171.5	179.8	-151.4	10.5	114.9	C177 S181 D182 R183 S186 L259 D262	C177-R179 PolarHBondContact O-N 2.96Å; R179-S181 VanDerWaalsContact C-N 3.26Å; R179-D182 PolarHBondContact O-N 3.49Å; R179-R183 PolarHBondContact O-N 2.7Å; R179-S186 PolarHBondContact O-OG 2.94Å; R179-L259 HydrophobicContact CB-CD2 4.45Å; R179-L259 HydrophobicContact CG-CD2 4.37Å; R179-L259 VanDerWaalsContact CZ-CD2 3.48Å; R179-D262 IonicContact CZ-OD2 3.44Å; R179-D262 IonicContact NH2-OD2 3.86Å; R179-D262 PolarHBondContact NH2-OD2 2.91Å
180	L	37.4	Very low	42.2	Very low	26 Å²	26	72 Å²	72	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-32.6	164.4	-83.9	169.2	0	0	0	111.4	Y134 C141 I176 C177 F187	Y134-L180 HydrophobicContact CE2-CD2 3.87Å; C141-L180 HydrophobicContact CB-CD1 4.31Å; I176-L180 HydrophobicContact CG2-CD1 4.3Å; I176-L180 PolarHBondContact O-N 2.87Å; C177-L180 PolarHBondContact O-N 2.83Å; L180-F187 HydrophobicContact CD2-CB 4.28Å
181	S	42.8	Very low	42.1	Very low	74 Å²	74	74.8 Å²	74.8	52%	0.517	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-40.2	174	65	0	0	0	0	112.4	C177 Q178 R179	C177-S181 PolarHBondContact O-N 2.65Å; Q178-S181 PolarHBondContact O-OG 3.05Å; Q178-S181 VanDerWaalsContact O-OG 3.13Å; R179-S181 VanDerWaalsContact C-N 3.26Å
182	D	41.3	Very low	42	Very low	129 Å²	129	78.4 Å²	78.4	69%	0.69	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-35.8	-169	-77.3	6.6	0	0	0	113.1	R179	R179-D182 PolarHBondContact O-N 3.49Å
183	R	39.1	Very low	42.2	Very low	164 Å²	164	76.1 Å²	76.1	62%	0.619	35%	0.352	S	S	*	.			trans	-155.7	108.4	179.3	-61.7	-174.3	-176.3	-179.3	-0	111.4	R179 R185 S186	R179-R183 PolarHBondContact O-N 2.7Å; R183-R185 PolarHBondContact O-N 3.43Å; R183-R185 VanDerWaalsContact O-N 3.08Å; R183-S186 WeakPolarHBondContact O-CB 3.26Å; R183-S186 PolarHBondContact O-N 3.31Å; R183-S186 PolarHBondContact O-OG 3.47Å
184	M	37.4	Very low	42.1	Very low	138 Å²	138	75.9 Å²	75.9	68%	0.68	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.6	165.6	-82.8	-154.5	-83.6	0	0	112.6	Y134 S186 F187	Y134-M184 PolarHBondContact OH-SD 3.32Å; M184-S186 PolarHBondContact O-N 2.93Å; M184-F187 PolarHBondContact O-N 2.87Å
185	R	35.8	Very low	41.9	Very low	216 Å²	216	76.9 Å²	76.9	82%	0.815	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-24.1	174.1	-76.2	-174.9	179.9	-177.1	0.1	114	R183 F187 T189	R183-R185 PolarHBondContact O-N 3.43Å; R183-R185 VanDerWaalsContact O-N 3.08Å; R185-F187 VanDerWaalsContact C-N 3.32Å; R185-F187 PolarHBondContact O-N 2.84Å; R185-T189 PolarHBondContact O-OG1 3.44Å
186	S	43.2	Very low	42.2	Very low	21 Å²	21	79.1 Å²	79.1	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-70	-30	179	69.5	0	0	0	0	112.1	R179 R183 M184 H190	R179-S186 PolarHBondContact O-OG 2.94Å; R183-S186 WeakPolarHBondContact O-CB 3.26Å; R183-S186 PolarHBondContact O-N 3.31Å; R183-S186 PolarHBondContact O-OG 3.47Å; M184-S186 PolarHBondContact O-N 2.93Å; S186-H190 WeakPolarHBondContact O-CB 3.2Å; S186-H190 PolarHBondContact O-N 2.98Å
187	F	39.7	Very low	42.2	Very low	42 Å²	42	77.1 Å²	77.1	18%	0.184	36%	0.356	C	S	.	.	H	α-helix	trans	-70.4	-50.7	-174.9	-174.9	-97.3	0	0	0	112.6	Y134 L137 L180 M184 R185 T189 H190 Y191	Y134-F187 AromaticContact CD2-CD1 3.86Å; Y134-F187 HydrophobicContact CD2-CD1 3.86Å; Y134-F187 HydrophobicContact CD2-CE1 4.12Å; Y134-F187 HydrophobicContact CD2-CG 4.16Å; L137-F187 HydrophobicContact CD1-CD2 4.43Å; L137-F187 HydrophobicContact CD1-CE2 3.38Å; L137-F187 HydrophobicContact CD1-CZ 3.8Å; L180-F187 HydrophobicContact CD2-CB 4.28Å; M184-F187 PolarHBondContact O-N 2.87Å; R185-F187 VanDerWaalsContact C-N 3.32Å; R185-F187 PolarHBondContact O-N 2.84Å; F187-T189 VanDerWaalsContact C-N 3.29Å; F187-T189 PolarHBondContact O-N 2.88Å; F187-H190 CarbonylContact O-C 3.59Å; F187-H190 PolarHBondContact O-N 3.49Å; F187-Y191 VanDerWaalsContact O-CB 3.25Å; F187-Y191 WeakPolarHBondContact O-CB 3.33Å; F187-Y191 PolarHBondContact O-N 3.26Å
188	E	39.2	Very low	41.8	Very low	143 Å²	143	79.1 Å²	79.1	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-41.8	179.1	-172.8	177.4	-168.7	0	0	111	H190 Y191 M192	E188-H190 PolarHBondContact O-N 2.88Å; E188-Y191 PolarHBondContact O-N 3.41Å; E188-M192 WeakPolarHBondContact O-CB 3.25Å; E188-M192 WeakPolarHBondContact O-CG 3.49Å; E188-M192 PolarHBondContact O-N 3.3Å
189	T	44.1	Very low	41.7	Very low	44 Å²	44	78.9 Å²	78.9	27%	0.27	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-41.7	176.8	-38.8	0	0	0	0	111.5	R185 F187 C193 T253 S256	R185-T189 PolarHBondContact O-OG1 3.44Å; F187-T189 VanDerWaalsContact C-N 3.29Å; F187-T189 PolarHBondContact O-N 2.88Å; T189-C193 VanDerWaalsContact O-CB 3.23Å; T189-C193 WeakPolarHBondContact O-CB 3.24Å; T189-C193 PolarHBondContact O-N 2.9Å; T189-T253 HydrophobicContact CG2-CG2 3.81Å; T189-T253 WeakPolarHBondContact CG2-OG1 3.48Å; T189-S256 WeakPolarHBondContact CG2-OG 3Å; T189-S256 PolarHBondContact O-OG 3.26Å
190	H	44.3	Very low	41.7	Very low	41 Å²	41	75.3 Å²	75.3	19%	0.19	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-45.3	174.7	-170.8	69.3	0	0	0	111.3	S186 F187 E188 M192 C193 T194 L259 W260	S186-H190 WeakPolarHBondContact O-CB 3.2Å; S186-H190 PolarHBondContact O-N 2.98Å; F187-H190 CarbonylContact O-C 3.59Å; F187-H190 PolarHBondContact O-N 3.49Å; E188-H190 PolarHBondContact O-N 2.88Å; H190-M192 PolarHBondContact O-N 2.89Å; H190-C193 WeakPolarHBondContact O-CB 3.4Å; H190-C193 PolarHBondContact O-N 2.96Å; H190-T194 VanDerWaalsContact O-CB 3.23Å; H190-T194 WeakPolarHBondContact O-CB 3.45Å; H190-T194 PolarHBondContact O-N 3.4Å; H190-T194 PolarHBondContact O-OG1 3.47Å; H190-L259 HydrophobicContact CB-CD1 3.75Å; H190-L259 WeakPolarHBondContact ND1-CD1 3.42Å; H190-W260 AromaticContact CE1-CD1 3.64Å; H190-W260 AromaticContact CE1-CD2 3.97Å; H190-W260 AromaticContact CE1-CE2 3.67Å; H190-W260 AromaticContact CE1-NE1 3.34Å; H190-W260 PolarHBondContact CE1-NE1 3.46Å; H190-W260 VanDerWaalsContact CE1-NE1 3.34Å; H190-W260 AromaticContact ND1-CD1 3.9Å; H190-W260 AromaticContact ND1-NE1 3.71Å
191	Y	43	Very low	41.7	Very low	79 Å²	79	76.8 Å²	76.8	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-45.3	177.3	178.4	-97.1	0	0	0	111.5	V131 F187 E188 T194 R195	V131-Y191 HydrophobicContact CG2-CE2 4.45Å; F187-Y191 VanDerWaalsContact O-CB 3.25Å; F187-Y191 WeakPolarHBondContact O-CB 3.33Å; F187-Y191 PolarHBondContact O-N 3.26Å; E188-Y191 PolarHBondContact O-N 3.41Å; Y191-T194 WeakPolarHBondContact O-CB 3.39Å; Y191-T194 PolarHBondContact O-N 3.41Å; Y191-R195 VanDerWaalsContact O-CB 3.28Å; Y191-R195 WeakPolarHBondContact O-CB 3.44Å; Y191-R195 PolarHBondContact O-N 2.93Å
192	M	45.9	Very low	41.5	Very low	85 Å²	85	76.9 Å²	76.9	42%	0.419	37%	0.373	S	S	.	.	H	α-helix	trans	-65.3	-44.6	176	-76.1	-62.4	-65.3	0	0	112	E188 H190 R195 N196	E188-M192 WeakPolarHBondContact O-CB 3.25Å; E188-M192 WeakPolarHBondContact O-CG 3.49Å; E188-M192 PolarHBondContact O-N 3.3Å; H190-M192 PolarHBondContact O-N 2.89Å; M192-R195 PolarHBondContact O-N 3.46Å; M192-N196 PolarHBondContact O-N 2.82Å; M192-N196 PolarHBondContact O-ND2 2.91Å
193	C	47.5	Very low	41.7	Very low	4 Å²	4	74.8 Å²	74.8	3%	0.027	36%	0.362	C	S	.	.	H	α-helix	trans	-54.3	-54.3	172.3	159.4	0	0	0	0	110.9	T189 H190 R195 N196 V197 C252 S256 W260	T189-C193 VanDerWaalsContact O-CB 3.23Å; T189-C193 WeakPolarHBondContact O-CB 3.24Å; T189-C193 PolarHBondContact O-N 2.9Å; H190-C193 WeakPolarHBondContact O-CB 3.4Å; H190-C193 PolarHBondContact O-N 2.96Å; C193-R195 VanDerWaalsContact C-N 3.33Å; C193-R195 PolarHBondContact O-N 2.87Å; C193-N196 WeakPolarHBondContact O-CB 3.44Å; C193-N196 PolarHBondContact O-N 3.43Å; C193-N196 VanDerWaalsContact O-N 3.1Å; C193-V197 WeakPolarHBondContact O-CB 3.48Å; C193-V197 WeakPolarHBondContact O-CG2 3.27Å; C193-V197 PolarHBondContact O-N 3.5Å; C193-C252 VanDerWaalsContact C-SG 3.6Å; C193-C252 WeakPolarHBondContact CA-SG 3.07Å; C193-C252 HydrophobicContact CB-CB 3.48Å; C193-C252 VanDerWaalsContact CB-CB 3.48Å; C193-C252 WeakPolarHBondContact CB-SG 3.23Å; C193-C252 WeakPolarHBondContact SG-CB 3.2Å; C193-C252 CovalentContact SG-SG 2Å; C193-C252 PolarHBondContact SG-SG 3.27Å; C193-S256 VanDerWaalsContact SG-CB 3.58Å; C193-W260 PolarHBondContact SG-NE1 2.88Å; C193-W260 VanDerWaalsContact SG-NE1 3.35Å
194	T	44.1	Very low	42.2	Very low	5 Å²	5	67.7 Å²	67.7	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-56	-47.1	178.3	-65.2	0	0	0	0	111.6	F130 H190 Y191 N196 V197 L198 W260	F130-T194 HydrophobicContact CB-CG2 3.34Å; F130-T194 HydrophobicContact CD1-CG2 3.12Å; F130-T194 HydrophobicContact CD2-CG2 3.67Å; F130-T194 HydrophobicContact CE1-CG2 3.8Å; F130-T194 HydrophobicContact CE2-CG2 4.28Å; F130-T194 HydrophobicContact CG-CG2 3.04Å; F130-T194 HydrophobicContact CZ-CG2 4.34Å; H190-T194 VanDerWaalsContact O-CB 3.23Å; H190-T194 WeakPolarHBondContact O-CB 3.45Å; H190-T194 PolarHBondContact O-N 3.4Å; H190-T194 PolarHBondContact O-OG1 3.47Å; Y191-T194 WeakPolarHBondContact O-CB 3.39Å; Y191-T194 PolarHBondContact O-N 3.41Å; T194-N196 VanDerWaalsContact C-N 3.32Å; T194-N196 PolarHBondContact O-N 3.07Å; T194-V197 CarbonylContact O-C 3.44Å; T194-V197 WeakPolarHBondContact O-CA 3.39Å; T194-V197 PolarHBondContact O-N 3.46Å; T194-V197 VanDerWaalsContact O-N 3.11Å; T194-L198 WeakPolarHBondContact O-CG 3.34Å; T194-L198 PolarHBondContact O-N 2.88Å; T194-W260 HydrophobicContact CG2-CZ2 3.95Å; T194-W260 WeakPolarHBondContact OG1-CZ2 3.31Å; T194-W260 PolarHBondContact OG1-NE1 2.94Å
195	R	40.7	Very low	42.7	Very low	149 Å²	149	64.6 Å²	64.6	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-38	177.3	-172.3	-179.6	144.1	172.2	-5.8	112.4	Y191 M192 C193 L198	Y191-R195 VanDerWaalsContact O-CB 3.28Å; Y191-R195 WeakPolarHBondContact O-CB 3.44Å; Y191-R195 PolarHBondContact O-N 2.93Å; M192-R195 PolarHBondContact O-N 3.46Å; C193-R195 VanDerWaalsContact C-N 3.33Å; C193-R195 PolarHBondContact O-N 2.87Å; R195-L198 HydrophobicContact CB-CD1 4.47Å; R195-L198 HydrophobicContact CG-CD1 4.27Å; R195-L198 WeakPolarHBondContact O-CB 3.44Å; R195-L198 PolarHBondContact O-N 3.34Å
196	N	47	Very low	43.7	Very low	74 Å²	74	60.8 Å²	60.8	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-69.3	-39.2	174.3	-66.8	-17.7	0	0	0	111.2	M192 C193 T194 L198 S199 K251	M192-N196 PolarHBondContact O-N 2.82Å; M192-N196 PolarHBondContact O-ND2 2.91Å; C193-N196 WeakPolarHBondContact O-CB 3.44Å; C193-N196 PolarHBondContact O-N 3.43Å; C193-N196 VanDerWaalsContact O-N 3.1Å; T194-N196 VanDerWaalsContact C-N 3.32Å; T194-N196 PolarHBondContact O-N 3.07Å; N196-L198 PolarHBondContact O-N 3.19Å; N196-S199 PolarHBondContact O-N 2.95Å; N196-S199 PolarHBondContact O-OG 2.88Å; N196-K251 HydrophobicContact CB-CB 4.14Å; N196-K251 PolarHBondContact ND2-O 2.93Å; N196-K251 WeakPolarHBondContact O-CD 3.28Å
197	V	43.6	Very low	44.3	Very low	5 Å²	5	59.9 Å²	59.9	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-71	-19.8	177.8	177.2	0	0	0	0	111.8	C193 T194 S199 A200 H201 L248 K251 C252	C193-V197 WeakPolarHBondContact O-CB 3.48Å; C193-V197 WeakPolarHBondContact O-CG2 3.27Å; C193-V197 PolarHBondContact O-N 3.5Å; T194-V197 CarbonylContact O-C 3.44Å; T194-V197 WeakPolarHBondContact O-CA 3.39Å; T194-V197 PolarHBondContact O-N 3.46Å; T194-V197 VanDerWaalsContact O-N 3.11Å; V197-S199 PolarHBondContact O-N 3.33Å; V197-S199 VanDerWaalsContact O-N 3.16Å; V197-A200 HydrophobicContact CG1-CB 4.31Å; V197-A200 CarbonylContact O-C 3.56Å; V197-A200 WeakPolarHBondContact O-CA 3.29Å; V197-A200 VanDerWaalsContact O-CB 3.3Å; V197-A200 WeakPolarHBondContact O-CB 3.38Å; V197-A200 PolarHBondContact O-N 2.82Å; V197-H201 PolarHBondContact O-N 2.81Å; V197-L248 HydrophobicContact CB-CD2 4.21Å; V197-L248 HydrophobicContact CG1-CD2 3.75Å; V197-L248 HydrophobicContact CG2-CD2 3.58Å; V197-K251 HydrophobicContact CG2-CB 3.97Å; V197-C252 WeakPolarHBondContact CG2-SG 3.43Å
198	L	38.1	Very low	45	Very low	49 Å²	49	60.6 Å²	60.6	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-54.4	-37.1	172.6	-69.5	171.8	0	0	0	111.4	F130 T194 R195 N196 A200 H201	F130-L198 HydrophobicContact CD2-CD2 3.89Å; F130-L198 HydrophobicContact CE2-CD2 4.45Å; T194-L198 WeakPolarHBondContact O-CG 3.34Å; T194-L198 PolarHBondContact O-N 2.88Å; R195-L198 HydrophobicContact CB-CD1 4.47Å; R195-L198 HydrophobicContact CG-CD1 4.27Å; R195-L198 WeakPolarHBondContact O-CB 3.44Å; R195-L198 PolarHBondContact O-N 3.34Å; N196-L198 PolarHBondContact O-N 3.19Å; L198-A200 VanDerWaalsContact C-N 3.26Å; L198-A200 PolarHBondContact O-N 2.81Å; L198-H201 VanDerWaalsContact CD2-CD2 3.41Å; L198-H201 WeakPolarHBondContact CD2-CD2 3.47Å; L198-H201 VanDerWaalsContact O-CB 3.27Å; L198-H201 WeakPolarHBondContact O-CB 3.4Å; L198-H201 PolarHBondContact O-N 3.28Å
199	S	40.7	Very low	45.7	Very low	92 Å²	92	57 Å²	57	64%	0.643	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.8	173.3	66.1	0	0	0	0	113.3	N196 V197 K251	N196-S199 PolarHBondContact O-N 2.95Å; N196-S199 PolarHBondContact O-OG 2.88Å; V197-S199 PolarHBondContact O-N 3.33Å; V197-S199 VanDerWaalsContact O-N 3.16Å; S199-K251 PolarHBondContact OG-NZ 3.33Å
200	A	41.6	Very low	46.4	Very low	1 Å²	1	60.7 Å²	60.7	1%	0.008	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	2.8	169.2	0	0	0	0	0	113.4	V197 L198 A202 D203 S204 P247 K251	V197-A200 HydrophobicContact CG1-CB 4.31Å; V197-A200 CarbonylContact O-C 3.56Å; V197-A200 WeakPolarHBondContact O-CA 3.29Å; V197-A200 VanDerWaalsContact O-CB 3.3Å; V197-A200 WeakPolarHBondContact O-CB 3.38Å; V197-A200 PolarHBondContact O-N 2.82Å; L198-A200 VanDerWaalsContact C-N 3.26Å; L198-A200 PolarHBondContact O-N 2.81Å; A200-A202 PolarHBondContact O-N 2.83Å; A200-A202 VanDerWaalsContact O-N 3.16Å; A200-D203 WeakPolarHBondContact O-CA 3.49Å; A200-D203 WeakPolarHBondContact O-CB 3.39Å; A200-D203 PolarHBondContact O-N 2.82Å; A200-S204 PolarHBondContact O-N 3.37Å; A200-P247 HydrophobicContact CB-CB 3.62Å; A200-K251 HydrophobicContact CB-CD 3.88Å; A200-K251 VanDerWaalsContact CB-NZ 3.27Å; A200-K251 VanDerWaalsContact N-NZ 3.16Å
201	H	37.3	Very low	47.1	Very low	58 Å²	58	59.6 Å²	59.6	27%	0.269	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-31.2	177.6	-103.6	-59.9	0	0	0	112.7	F130 V197 L198 D203 S204 T205	F130-H201 AromaticContact CE2-CE1 3.9Å; F130-H201 AromaticContact CE2-NE2 3.4Å; F130-H201 WeakPolarHBondContact CE2-NE2 3.39Å; V197-H201 PolarHBondContact O-N 2.81Å; L198-H201 VanDerWaalsContact CD2-CD2 3.41Å; L198-H201 WeakPolarHBondContact CD2-CD2 3.47Å; L198-H201 VanDerWaalsContact O-CB 3.27Å; L198-H201 WeakPolarHBondContact O-CB 3.4Å; L198-H201 PolarHBondContact O-N 3.28Å; H201-D203 PolarHBondContact O-N 3.43Å; H201-S204 PolarHBondContact O-N 2.93Å; H201-S204 VanDerWaalsContact O-N 3.12Å; H201-T205 PolarHBondContact O-N 3.05Å; H201-T205 PolarHBondContact O-OG1 2.63Å
202	A	39	Very low	47.7	Very low	76 Å²	76	60.9 Å²	60.9	63%	0.628	31%	0.306	S	S	*	.	H	α-helix	trans	-53.1	-40.4	173	0	0	0	0	0	111.5	A200 Y206	A200-A202 PolarHBondContact O-N 2.83Å; A200-A202 VanDerWaalsContact O-N 3.16Å; A202-Y206 WeakPolarHBondContact O-CB 3.4Å; A202-Y206 PolarHBondContact O-N 3.28Å
203	D	44.5	Very low	48.3	Very low	84 Å²	84	62.3 Å²	62.3	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-72.4	-42.7	176.5	-62.6	-33.7	0	0	0	111.4	A200 H201 T205 Y206 C207 P247	A200-D203 WeakPolarHBondContact O-CA 3.49Å; A200-D203 WeakPolarHBondContact O-CB 3.39Å; A200-D203 PolarHBondContact O-N 2.82Å; H201-D203 PolarHBondContact O-N 3.43Å; D203-T205 PolarHBondContact O-N 3.36Å; D203-Y206 CarbonylContact O-C 3.58Å; D203-Y206 WeakPolarHBondContact O-CB 3.27Å; D203-Y206 PolarHBondContact O-N 3.02Å; D203-C207 PolarHBondContact O-N 3.2Å; D203-C207 PolarHBondContact O-SG 2.83Å; D203-P247 HydrophobicContact CB-CG 4.06Å
204	S	48.9	Very low	48.9	Very low	16 Å²	16	64.3 Å²	64.3	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-38.4	179.4	-63.3	0	0	0	0	113.1	A200 H201 C207 L208	A200-S204 PolarHBondContact O-N 3.37Å; H201-S204 PolarHBondContact O-N 2.93Å; H201-S204 VanDerWaalsContact O-N 3.12Å; S204-C207 WeakPolarHBondContact O-CB 2.95Å; S204-C207 PolarHBondContact O-N 3.07Å; S204-L208 PolarHBondContact O-N 2.8Å
205	T	48.5	Very low	49.4	Very low	73 Å²	73	65.4 Å²	65.4	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-43.5	175	-42.2	0	0	0	0	110.2	H201 D203 C207 L208 D209	H201-T205 PolarHBondContact O-N 3.05Å; H201-T205 PolarHBondContact O-OG1 2.63Å; D203-T205 PolarHBondContact O-N 3.36Å; T205-C207 VanDerWaalsContact C-N 3.31Å; T205-C207 PolarHBondContact O-N 2.73Å; T205-L208 PolarHBondContact O-N 2.96Å; T205-L208 VanDerWaalsContact O-N 3.15Å; T205-D209 PolarHBondContact O-N 3.36Å
206	Y	56.6	Low	50	Low	136 Å²	136	65.3 Å²	65.3	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-43.3	171.4	169.6	-93.6	0	0	0	112	A202 D203 L208 D209 R210	A202-Y206 WeakPolarHBondContact O-CB 3.4Å; A202-Y206 PolarHBondContact O-N 3.28Å; D203-Y206 CarbonylContact O-C 3.58Å; D203-Y206 WeakPolarHBondContact O-CB 3.27Å; D203-Y206 PolarHBondContact O-N 3.02Å; Y206-L208 PolarHBondContact O-N 3.06Å; Y206-D209 PolarHBondContact O-N 3.35Å; Y206-R210 VanDerWaalsContact O-CB 3.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.41Å; Y206-R210 PolarHBondContact O-N 3.17Å
207	C	55.9	Low	50	Low	2 Å²	2	69.7 Å²	69.7	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-43.9	175.9	-58.6	0	0	0	0	111.6	D203 S204 T205 F211 F240 C243 V244	D203-C207 PolarHBondContact O-N 3.2Å; D203-C207 PolarHBondContact O-SG 2.83Å; S204-C207 WeakPolarHBondContact O-CB 2.95Å; S204-C207 PolarHBondContact O-N 3.07Å; T205-C207 VanDerWaalsContact C-N 3.31Å; T205-C207 PolarHBondContact O-N 2.73Å; C207-F211 WeakPolarHBondContact O-CB 3.19Å; C207-F211 PolarHBondContact O-N 3.03Å; C207-F240 HydrophobicContact CB-CD2 3.91Å; C207-F240 HydrophobicContact CB-CE2 4.11Å; C207-C243 VanDerWaalsContact CA-SG 3.58Å; C207-C243 HydrophobicContact CB-CB 3.68Å; C207-C243 WeakPolarHBondContact CB-SG 3.49Å; C207-C243 WeakPolarHBondContact SG-CB 3.44Å; C207-C243 CovalentContact SG-SG 2.03Å; C207-C243 PolarHBondContact SG-SG 3.16Å; C207-V244 HydrophobicContact CB-CG2 3.85Å
208	L	53.9	Low	50.2	Low	57 Å²	57	79.1 Å²	79.1	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-67.1	-42.2	179.8	-176.9	63.4	0	0	0	111.9	S204 T205 Y206 F211 R212 F240	S204-L208 PolarHBondContact O-N 2.8Å; T205-L208 PolarHBondContact O-N 2.96Å; T205-L208 VanDerWaalsContact O-N 3.15Å; Y206-L208 PolarHBondContact O-N 3.06Å; L208-F211 HydrophobicContact CD1-CD1 4.48Å; L208-F211 WeakPolarHBondContact O-CB 3.49Å; L208-F211 PolarHBondContact O-N 2.86Å; L208-R212 WeakPolarHBondContact O-CB 3.18Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.48Å; L208-R212 PolarHBondContact O-N 2.76Å; L208-F240 HydrophobicContact CB-CE2 3.92Å; L208-F240 HydrophobicContact CD1-CE2 4.05Å; L208-F240 HydrophobicContact CD1-CZ 4.24Å
209	D	53.6	Low	50.5	Low	66 Å²	66	85 Å²	85	35%	0.353	40%	0.399	S	S	.	.	H	α-helix	trans	-67.2	-39.9	178.2	-73.2	-23.2	0	0	0	111.3	T205 Y206 R212 H213	T205-D209 PolarHBondContact O-N 3.36Å; Y206-D209 PolarHBondContact O-N 3.35Å; D209-R212 PolarHBondContact O-N 2.78Å; D209-R212 IonicContact OD1-NH1 2.88Å; D209-H213 WeakPolarHBondContact O-CB 3.46Å; D209-H213 PolarHBondContact O-N 3.26Å
210	R	59.4	Low	50.9	Low	123 Å²	123	82.8 Å²	82.8	46%	0.464	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-46.5	171.3	-178.7	174.3	175.9	162.8	-0.9	111.6	Y206 R212 H213 E214	Y206-R210 VanDerWaalsContact O-CB 3.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.41Å; Y206-R210 PolarHBondContact O-N 3.17Å; R210-R212 PolarHBondContact O-N 3.3Å; R210-H213 WeakPolarHBondContact O-CB 3.42Å; R210-H213 PolarHBondContact O-N 2.92Å; R210-E214 HydrophobicContact CG-CG 4.41Å; R210-E214 WeakPolarHBondContact CG-OE1 3.17Å; R210-E214 IonicContact CZ-OE1 3.02Å; R210-E214 IonicContact NE-OE1 2.69Å; R210-E214 PolarHBondContact NE-OE1 3.27Å; R210-E214 IonicContact NH2-OE1 2.62Å; R210-E214 WeakPolarHBondContact O-CG 3.49Å; R210-E214 PolarHBondContact O-N 2.86Å
211	F	59.6	Low	51.4	Low	17 Å²	17	89.7 Å²	89.7	8%	0.075	42%	0.418	C	S	.	.	H	α-helix	trans	-57.7	-48.8	175	171.9	-101.5	0	0	0	111.8	C207 L208 H213 E214 V215 A236 L237 F240 V271	C207-F211 WeakPolarHBondContact O-CB 3.19Å; C207-F211 PolarHBondContact O-N 3.03Å; L208-F211 HydrophobicContact CD1-CD1 4.48Å; L208-F211 WeakPolarHBondContact O-CB 3.49Å; L208-F211 PolarHBondContact O-N 2.86Å; F211-H213 PolarHBondContact O-N 3.4Å; F211-E214 PolarHBondContact O-N 3.35Å; F211-V215 HydrophobicContact CD2-CG2 3.86Å; F211-V215 HydrophobicContact CE1-CG2 4.24Å; F211-V215 HydrophobicContact CE2-CG2 3.5Å; F211-V215 VanDerWaalsContact CE2-CG2 3.5Å; F211-V215 HydrophobicContact CG-CG2 4.4Å; F211-V215 HydrophobicContact CZ-CG2 3.72Å; F211-V215 WeakPolarHBondContact O-CB 3.4Å; F211-V215 VanDerWaalsContact O-CG2 3.3Å; F211-V215 WeakPolarHBondContact O-CG2 3.35Å; F211-V215 PolarHBondContact O-N 3.18Å; F211-A236 HydrophobicContact CD2-CB 3.9Å; F211-A236 WeakPolarHBondContact CD2-O 3.42Å; F211-A236 HydrophobicContact CE2-CB 4.1Å; F211-L237 HydrophobicContact CE2-CB 3.89Å; F211-L237 HydrophobicContact CE2-CD1 4.17Å; F211-L237 HydrophobicContact CZ-CD1 4.4Å; F211-F240 HydrophobicContact CB-CB 4.05Å; F211-F240 HydrophobicContact CB-CD2 4.14Å; F211-F240 HydrophobicContact CB-CG 4.29Å; F211-F240 HydrophobicContact CD2-CB 4Å; F211-F240 HydrophobicContact CG-CB 4.19Å; F211-F240 HydrophobicContact CG-CG 4.44Å; F211-V271 HydrophobicContact CE1-CG1 3.82Å; F211-V271 HydrophobicContact CZ-CG1 3.98Å
212	R	54.7	Low	52.3	Low	107 Å²	107	89.5 Å²	89.5	40%	0.404	42%	0.424	S	S	.	.	H	α-helix	trans	-58.2	-39.1	176.9	-74.6	171	172.6	-178.6	-3.3	111.5	Q64 L208 D209 R210 R216	Q64-R212 VanDerWaalsContact CD-NH1 3.33Å; L208-R212 WeakPolarHBondContact O-CB 3.18Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.48Å; L208-R212 PolarHBondContact O-N 2.76Å; D209-R212 PolarHBondContact O-N 2.78Å; D209-R212 IonicContact OD1-NH1 2.88Å; R210-R212 PolarHBondContact O-N 3.3Å; R212-R216 WeakPolarHBondContact O-CG 3.39Å; R212-R216 PolarHBondContact O-N 3.48Å
213	H	59.1	Low	53.2	Low	115 Å²	115	87.9 Å²	87.9	53%	0.532	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-46.4	175.8	-166.6	86	0	0	0	112.3	D209 R210 F211 V215 R216	D209-H213 WeakPolarHBondContact O-CB 3.46Å; D209-H213 PolarHBondContact O-N 3.26Å; R210-H213 WeakPolarHBondContact O-CB 3.42Å; R210-H213 PolarHBondContact O-N 2.92Å; F211-H213 PolarHBondContact O-N 3.4Å; H213-V215 VanDerWaalsContact C-N 3.3Å; H213-V215 PolarHBondContact O-N 3.38Å; H213-R216 WeakPolarHBondContact O-CB 3.3Å; H213-R216 WeakPolarHBondContact O-CG 3.39Å; H213-R216 PolarHBondContact O-N 3.34Å
214	E	59.2	Low	53.7	Low	45 Å²	45	90.3 Å²	90.3	21%	0.21	42%	0.415	C	S	.	.	H	α-helix	trans	-65.7	-30.7	179.5	-73	179.7	-169.3	0	0	112.7	R210 F211 Q232 A236 N239	R210-E214 HydrophobicContact CG-CG 4.41Å; R210-E214 WeakPolarHBondContact CG-OE1 3.17Å; R210-E214 IonicContact CZ-OE1 3.02Å; R210-E214 IonicContact NE-OE1 2.69Å; R210-E214 PolarHBondContact NE-OE1 3.27Å; R210-E214 IonicContact NH2-OE1 2.62Å; R210-E214 WeakPolarHBondContact O-CG 3.49Å; R210-E214 PolarHBondContact O-N 2.86Å; F211-E214 PolarHBondContact O-N 3.35Å; E214-Q232 PolarHBondContact O-NE2 2.69Å; E214-A236 HydrophobicContact CB-CB 3.77Å; E214-A236 WeakPolarHBondContact OE2-CA 3.44Å; E214-A236 WeakPolarHBondContact OE2-CB 3.33Å; E214-N239 PolarHBondContact OE2-ND2 2.89Å
215	V	55.1	Low	54.2	Low	29 Å²	29	92.6 Å²	92.6	18%	0.176	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2	-177.9	178.2	0	0	0	0	113.3	F211 H213 Y217 R233 A236	F211-V215 HydrophobicContact CD2-CG2 3.86Å; F211-V215 HydrophobicContact CE1-CG2 4.24Å; F211-V215 HydrophobicContact CE2-CG2 3.5Å; F211-V215 VanDerWaalsContact CE2-CG2 3.5Å; F211-V215 HydrophobicContact CG-CG2 4.4Å; F211-V215 HydrophobicContact CZ-CG2 3.72Å; F211-V215 WeakPolarHBondContact O-CB 3.4Å; F211-V215 VanDerWaalsContact O-CG2 3.3Å; F211-V215 WeakPolarHBondContact O-CG2 3.35Å; F211-V215 PolarHBondContact O-N 3.18Å; H213-V215 VanDerWaalsContact C-N 3.3Å; H213-V215 PolarHBondContact O-N 3.38Å; V215-Y217 PolarHBondContact O-N 2.87Å; V215-Y217 VanDerWaalsContact O-N 3.07Å; V215-R233 HydrophobicContact CG1-CG 3.93Å; V215-R233 HydrophobicContact CG2-CG 4.28Å; V215-A236 HydrophobicContact CG2-CB 3.65Å
216	R	52.9	Low	55	Low	147 Å²	147	95.1 Å²	95.1	56%	0.555	43%	0.429	S	S	*	.			trans	-44.3	120.2	-177	-83.7	-177.2	180	-177	-0.7	111.6	E45 R212 H213 R218	E45-R216 IonicContact OE1-NH2 2.84Å; R212-R216 WeakPolarHBondContact O-CG 3.39Å; R212-R216 PolarHBondContact O-N 3.48Å; H213-R216 WeakPolarHBondContact O-CB 3.3Å; H213-R216 WeakPolarHBondContact O-CG 3.39Å; H213-R216 PolarHBondContact O-N 3.34Å; R216-R218 PolarHBondContact O-N 3.26Å; R216-R218 VanDerWaalsContact O-N 3.1Å
217	Y	48	Very low	55.4	Low	165 Å²	165	93.1 Å²	93.1	65%	0.647	42%	0.421	S	S	*	.			trans	-59.3	113.2	-179.2	-114.3	-88.8	0	0	0	110	V215 R233	V215-Y217 PolarHBondContact O-N 2.87Å; V215-Y217 VanDerWaalsContact O-N 3.07Å; Y217-R233 VanDerWaalsContact CD2-NH2 3.25Å
218	R	47.5	Very low	55.9	Low	203 Å²	203	95.7 Å²	95.7	77%	0.766	44%	0.442	S	S	*	.			trans	-102.5	126.7	156.1	-67.9	-174.4	-179.7	-178	1	106.9	R216 V220	R216-R218 PolarHBondContact O-N 3.26Å; R216-R218 VanDerWaalsContact O-N 3.1Å; R218-V220 WeakPolarHBondContact O-CG2 3.22Å; R218-V220 PolarHBondContact O-N 3.47Å
219	H	44.7	Very low	56.5	Low	172 Å²	172	94.1 Å²	94.1	80%	0.796	43%	0.434	S	S	*	.			trans	-64.1	126.2	171.3	-108.3	-64.1	0	0	0	108.3
220	V	49.6	Very low	57.4	Low	46 Å²	46	92.4 Å²	92.4	28%	0.279	42%	0.422	S	S	.	.			trans	-138.2	125.7	179.8	-114.5	0	0	0	0	110.3	R218 V225 L229	R218-V220 WeakPolarHBondContact O-CG2 3.22Å; R218-V220 PolarHBondContact O-N 3.47Å; V220-V225 HydrophobicContact CB-CB 4.09Å; V220-V225 HydrophobicContact CB-CG1 3.88Å; V220-V225 HydrophobicContact CG1-CB 3.82Å; V220-V225 HydrophobicContact CG1-CG1 3.41Å; V220-V225 VanDerWaalsContact CG1-CG1 3.41Å; V220-V225 HydrophobicContact CG1-CG2 4.38Å; V220-V225 HydrophobicContact CG2-CG1 3.99Å; V220-L229 HydrophobicContact CG2-CD2 4.04Å
221	N	51.7	Low	58	Low	146 Å²	146	90 Å²	90	78%	0.781	42%	0.417	S	S	*	.			trans	-89	-23.8	-174.2	-68.5	-13.6	0	0	0	112.7	R226	N221-R226 PolarHBondContact O-NH2 2.91Å
222	S	56.5	Low	58.6	Low	54 Å²	54	93.8 Å²	93.8	38%	0.378	44%	0.435	S	S	.	.			trans	-73.7	135.8	-179.7	170.3	0	0	0	0	112.4	F224 V225 R226	S222-F224 PolarHBondContact OG-N 3.26Å; S222-V225 PolarHBondContact O-N 3.36Å; S222-R226 WeakPolarHBondContact O-CG 3.3Å; S222-R226 PolarHBondContact O-N 3.3Å
223	S	57.5	Low	59.3	Low	42 Å²	42	89.9 Å²	89.9	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-40.7	175.8	53.6	0	0	0	0	112.3	V225 R226 R227	S223-V225 VanDerWaalsContact C-N 3.29Å; S223-V225 PolarHBondContact O-N 2.98Å; S223-R226 WeakPolarHBondContact O-CB 3.39Å; S223-R226 PolarHBondContact O-N 3.2Å; S223-R227 PolarHBondContact O-N 3.08Å
224	F	55	Low	59.8	Low	136 Å²	136	84.4 Å²	84.4	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-56.7	-45.3	173.8	-81.5	-86.1	0	0	0	111.3	S222 R227 A228 F292	S222-F224 PolarHBondContact OG-N 3.26Å; F224-R227 PolarHBondContact O-N 3.02Å; F224-A228 WeakPolarHBondContact O-CB 3.42Å; F224-A228 PolarHBondContact O-N 3.15Å; F224-F292 HydrophobicContact CE1-CE2 4.01Å; F224-F292 AromaticContact CE1-CZ 3.98Å; F224-F292 HydrophobicContact CE1-CZ 3.98Å; F224-F292 HydrophobicContact CE2-CE2 4.17Å; F224-F292 HydrophobicContact CE2-CZ 4.25Å; F224-F292 AromaticContact CZ-CE2 3.74Å; F224-F292 HydrophobicContact CZ-CE2 3.74Å; F224-F292 AromaticContact CZ-CZ 3.53Å; F224-F292 HydrophobicContact CZ-CZ 3.53Å
225	V	60	Low	60.5	Low	63 Å²	63	86.2 Å²	86.2	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-72.4	-31.8	-179.7	-166	0	0	0	0	111.3	V220 S222 S223 A228 L229	V220-V225 HydrophobicContact CB-CB 4.09Å; V220-V225 HydrophobicContact CB-CG1 3.88Å; V220-V225 HydrophobicContact CG1-CB 3.82Å; V220-V225 HydrophobicContact CG1-CG1 3.41Å; V220-V225 VanDerWaalsContact CG1-CG1 3.41Å; V220-V225 HydrophobicContact CG1-CG2 4.38Å; V220-V225 HydrophobicContact CG2-CG1 3.99Å; S222-V225 PolarHBondContact O-N 3.36Å; S223-V225 VanDerWaalsContact C-N 3.29Å; S223-V225 PolarHBondContact O-N 2.98Å; V225-A228 PolarHBondContact O-N 3.29Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 3.22Å
226	R	63.8	Low	61.2	Low	127 Å²	127	84.9 Å²	84.9	48%	0.479	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-39.8	170.8	-77.7	-174.4	-85.7	168.4	-9	112.7	N221 S222 S223 R230	N221-R226 PolarHBondContact O-NH2 2.91Å; S222-R226 WeakPolarHBondContact O-CG 3.3Å; S222-R226 PolarHBondContact O-N 3.3Å; S223-R226 WeakPolarHBondContact O-CB 3.39Å; S223-R226 PolarHBondContact O-N 3.2Å; R226-R230 WeakPolarHBondContact O-CG 3.4Å; R226-R230 PolarHBondContact O-N 2.65Å; R226-R230 PolarHBondContact O-NE 2.89Å
227	R	65.7	Low	61.9	Low	94 Å²	94	78 Å²	78	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-65.8	-49.8	174	-174.3	178.7	-179.1	155.6	10.2	110.9	S223 F224 L229 R230 I231 E286	S223-R227 PolarHBondContact O-N 3.08Å; F224-R227 PolarHBondContact O-N 3.02Å; R227-L229 VanDerWaalsContact C-N 3.3Å; R227-L229 PolarHBondContact O-N 3.28Å; R227-R230 PolarHBondContact O-N 3.4Å; R227-I231 HydrophobicContact CG-CD1 4.1Å; R227-I231 WeakPolarHBondContact O-CG1 3.42Å; R227-I231 PolarHBondContact O-N 2.71Å; R227-E286 IonicContact CZ-OE1 3.64Å; R227-E286 IonicContact NH2-OE1 3.88Å; R227-E286 PolarHBondContact NH2-OE1 3.4Å
228	A	66.8	Low	63	Low	55 Å²	55	72.7 Å²	72.7	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-42.1	177.5	0	0	0	0	0	111.9	F224 V225 I231 Q232	F224-A228 WeakPolarHBondContact O-CB 3.42Å; F224-A228 PolarHBondContact O-N 3.15Å; V225-A228 PolarHBondContact O-N 3.29Å; A228-I231 PolarHBondContact O-N 2.89Å; A228-Q232 WeakPolarHBondContact O-CB 3.39Å; A228-Q232 PolarHBondContact O-N 3.09Å
229	L	67.1	Low	64.2	Low	25 Å²	25	66.6 Å²	66.6	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-40.1	177.3	-173.1	69.1	0	0	0	112	V220 V225 R227 Q232 R233	V220-L229 HydrophobicContact CG2-CD2 4.04Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 3.22Å; R227-L229 VanDerWaalsContact C-N 3.3Å; R227-L229 PolarHBondContact O-N 3.28Å; L229-Q232 WeakPolarHBondContact O-CB 3.4Å; L229-Q232 PolarHBondContact O-N 2.87Å; L229-R233 VanDerWaalsContact O-CG 3.28Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.06Å
230	R	72.3	Confident	65.4	Low	30 Å²	30	59.5 Å²	59.5	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-43.2	174.8	-77.4	177.1	-70.7	168.5	6.9	111.9	R226 R227 Q232 R233 C234 E274 A284 D290	R226-R230 WeakPolarHBondContact O-CG 3.4Å; R226-R230 PolarHBondContact O-N 2.65Å; R226-R230 PolarHBondContact O-NE 2.89Å; R227-R230 PolarHBondContact O-N 3.4Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 PolarHBondContact O-N 3Å; R230-R233 PolarHBondContact O-N 2.94Å; R230-C234 PolarHBondContact O-N 2.72Å; R230-C234 PolarHBondContact O-SG 3.28Å; R230-E274 HydrophobicContact CG-CB 4.22Å; R230-E274 HydrophobicContact CG-CG 4.1Å; R230-A284 HydrophobicContact CB-CB 4.12Å; R230-D290 IonicContact CZ-OD1 3.97Å; R230-D290 VanDerWaalsContact CZ-OD1 3.27Å; R230-D290 IonicContact CZ-OD2 3.18Å; R230-D290 IonicContact NH1-OD1 2.76Å; R230-D290 PolarHBondContact NH1-OD1 2.95Å; R230-D290 IonicContact NH1-OD2 2.82Å; R230-D290 PolarHBondContact NH1-OD2 2.99Å; R230-D290 IonicContact NH2-OD1 3.51Å; R230-D290 PolarHBondContact NH2-OD1 3.45Å; R230-D290 IonicContact NH2-OD2 3.83Å; R230-D290 PolarHBondContact NH2-OD2 3.11Å
231	I	71.4	Confident	66.2	Low	71 Å²	71	57.8 Å²	57.8	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-46.1	174.4	-66	164.5	0	0	0	110.1	R227 A228 R233 C234 N235 A284	R227-I231 HydrophobicContact CG-CD1 4.1Å; R227-I231 WeakPolarHBondContact O-CG1 3.42Å; R227-I231 PolarHBondContact O-N 2.71Å; A228-I231 PolarHBondContact O-N 2.89Å; I231-R233 VanDerWaalsContact C-N 3.3Å; I231-R233 PolarHBondContact O-N 3.36Å; I231-C234 PolarHBondContact O-N 3.27Å; I231-N235 VanDerWaalsContact O-CG 3.28Å; I231-N235 PolarHBondContact O-N 3.05Å; I231-N235 PolarHBondContact O-OD1 3.48Å; I231-A284 HydrophobicContact CG1-CB 4.06Å
232	Q	71.3	Confident	67.1	Low	97 Å²	97	53.5 Å²	53.5	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-41.4	175.8	-177	-175.6	-6.1	0	0	112.1	E214 A228 L229 R230 N235 A236	E214-Q232 PolarHBondContact O-NE2 2.69Å; A228-Q232 WeakPolarHBondContact O-CB 3.39Å; A228-Q232 PolarHBondContact O-N 3.09Å; L229-Q232 WeakPolarHBondContact O-CB 3.4Å; L229-Q232 PolarHBondContact O-N 2.87Å; R230-Q232 VanDerWaalsContact C-N 3.32Å; R230-Q232 PolarHBondContact O-N 3Å; Q232-N235 PolarHBondContact O-N 3.33Å; Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 3.47Å
233	R	69.4	Low	67.5	Low	25 Å²	25	52.9 Å²	52.9	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.9	-74	179	179.3	-171.6	-3.1	113.1	V215 Y217 L229 R230 I231 A236 L237 E274	V215-R233 HydrophobicContact CG1-CG 3.93Å; V215-R233 HydrophobicContact CG2-CG 4.28Å; Y217-R233 VanDerWaalsContact CD2-NH2 3.25Å; L229-R233 VanDerWaalsContact O-CG 3.28Å; L229-R233 WeakPolarHBondContact O-CG 3.49Å; L229-R233 PolarHBondContact O-N 3.06Å; R230-R233 PolarHBondContact O-N 2.94Å; I231-R233 VanDerWaalsContact C-N 3.3Å; I231-R233 PolarHBondContact O-N 3.36Å; R233-A236 PolarHBondContact O-N 2.77Å; R233-L237 WeakPolarHBondContact O-CB 3.45Å; R233-L237 PolarHBondContact O-N 3.38Å; R233-E274 WeakPolarHBondContact CD-OE1 3.47Å; R233-E274 IonicContact CZ-OE1 3.1Å; R233-E274 IonicContact NE-OE1 3.36Å; R233-E274 IonicContact NH1-OE1 2.63Å; R233-E274 PolarHBondContact NH1-OE1 3.31Å
234	C	70.5	Confident	67.7	Low	1 Å²	1	51 Å²	51	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-39.3	176.5	-58	0	0	0	0	111.4	R230 I231 L237 E238 C275 F282 A284	R230-C234 PolarHBondContact O-N 2.72Å; R230-C234 PolarHBondContact O-SG 3.28Å; I231-C234 PolarHBondContact O-N 3.27Å; C234-L237 PolarHBondContact O-N 3.07Å; C234-E238 PolarHBondContact O-N 2.81Å; C234-C275 WeakPolarHBondContact CA-SG 3.23Å; C234-C275 HydrophobicContact CB-CB 3.98Å; C234-C275 WeakPolarHBondContact CB-SG 3.39Å; C234-C275 WeakPolarHBondContact SG-CA 3.49Å; C234-C275 WeakPolarHBondContact SG-CB 3.42Å; C234-C275 CovalentContact SG-SG 2.04Å; C234-C275 PolarHBondContact SG-SG 2.96Å; C234-F282 HydrophobicContact CB-CB 4.05Å; C234-A284 VanDerWaalsContact SG-CA 3.55Å
235	N	73	Confident	68.2	Low	82 Å²	82	48.3 Å²	48.3	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-41.4	172.9	-66.9	-7	0	0	0	111.8	I231 Q232 L237 E238 N239	I231-N235 VanDerWaalsContact O-CG 3.28Å; I231-N235 PolarHBondContact O-N 3.05Å; I231-N235 PolarHBondContact O-OD1 3.48Å; Q232-N235 PolarHBondContact O-N 3.33Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.36Å; N235-E238 WeakPolarHBondContact O-CB 3.47Å; N235-E238 PolarHBondContact O-N 3.04Å; N235-N239 VanDerWaalsContact O-CG 3.25Å; N235-N239 PolarHBondContact O-N 3.15Å; N235-N239 PolarHBondContact O-ND2 2.77Å
236	A	70.6	Confident	68.5	Low	1 Å²	1	52 Å²	52	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-41.2	175.4	0	0	0	0	0	111.1	F211 E214 V215 Q232 R233 E238 N239 F240	F211-A236 HydrophobicContact CD2-CB 3.9Å; F211-A236 WeakPolarHBondContact CD2-O 3.42Å; F211-A236 HydrophobicContact CE2-CB 4.1Å; E214-A236 HydrophobicContact CB-CB 3.77Å; E214-A236 WeakPolarHBondContact OE2-CA 3.44Å; E214-A236 WeakPolarHBondContact OE2-CB 3.33Å; V215-A236 HydrophobicContact CG2-CB 3.65Å; Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 3.47Å; R233-A236 PolarHBondContact O-N 2.77Å; A236-E238 VanDerWaalsContact C-N 3.35Å; A236-N239 WeakPolarHBondContact O-CB 3.34Å; A236-N239 PolarHBondContact O-N 3.41Å; A236-F240 WeakPolarHBondContact O-CB 3.45Å; A236-F240 PolarHBondContact O-N 2.9Å
237	L	67.8	Low	68.2	Low	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-41.1	175.9	-178.3	61.4	0	0	0	111.4	F211 R233 C234 N235 F240 V241 A272 C275 F282	F211-L237 HydrophobicContact CE2-CB 3.89Å; F211-L237 HydrophobicContact CE2-CD1 4.17Å; F211-L237 HydrophobicContact CZ-CD1 4.4Å; R233-L237 WeakPolarHBondContact O-CB 3.45Å; R233-L237 PolarHBondContact O-N 3.38Å; C234-L237 PolarHBondContact O-N 3.07Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 3.36Å; L237-F240 HydrophobicContact CD1-CD1 4.29Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 3.19Å; L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 2.99Å; L237-A272 HydrophobicContact CD2-CB 4.15Å; L237-C275 HydrophobicContact CD2-CB 4.36Å; L237-F282 HydrophobicContact CD2-CD1 3.57Å; L237-F282 HydrophobicContact CD2-CD2 4.36Å; L237-F282 HydrophobicContact CD2-CE1 3.41Å; L237-F282 VanDerWaalsContact CD2-CE1 3.41Å; L237-F282 HydrophobicContact CD2-CE2 4.23Å; L237-F282 HydrophobicContact CD2-CG 4.04Å; L237-F282 HydrophobicContact CD2-CZ 3.75Å; L237-F282 HydrophobicContact CG-CD1 4.26Å; L237-F282 HydrophobicContact CG-CD2 4.16Å; L237-F282 HydrophobicContact CG-CE1 4.06Å; L237-F282 HydrophobicContact CG-CE2 3.95Å; L237-F282 HydrophobicContact CG-CG 4.29Å; L237-F282 HydrophobicContact CG-CZ 3.88Å
238	E	71.7	Confident	67.8	Low	53 Å²	53	42 Å²	42	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-44.9	174.2	-168.5	168.1	150.3	0	0	112	C234 N235 A236 F240 V241 A242 H281 F282	C234-E238 PolarHBondContact O-N 2.81Å; N235-E238 WeakPolarHBondContact O-CB 3.47Å; N235-E238 PolarHBondContact O-N 3.04Å; A236-E238 VanDerWaalsContact C-N 3.35Å; E238-F240 VanDerWaalsContact C-N 3.3Å; E238-F240 PolarHBondContact O-N 2.86Å; E238-V241 PolarHBondContact O-N 3.19Å; E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.21Å; E238-H281 IonicContact OE1-CE1 3.49Å; E238-H281 IonicContact OE1-CG 3.69Å; E238-H281 IonicContact OE1-ND1 2.73Å; E238-H281 PolarHBondContact OE1-ND1 2.66Å; E238-H281 IonicContact OE2-ND1 3.62Å; E238-F282 HydrophobicContact CB-CD2 3.98Å; E238-F282 HydrophobicContact CG-CD2 4.42Å; E238-F282 PolarHBondContact OE2-N 3.15Å; E238-F282 VanDerWaalsContact OE2-N 3.09Å
239	N	72.1	Confident	67.7	Low	76 Å²	76	43 Å²	43	41%	0.406	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-40.6	174.3	-71.6	-24.1	0	0	0	111.8	E214 N235 A236 A242 C243	E214-N239 PolarHBondContact OE2-ND2 2.89Å; N235-N239 VanDerWaalsContact O-CG 3.25Å; N235-N239 PolarHBondContact O-N 3.15Å; N235-N239 PolarHBondContact O-ND2 2.77Å; A236-N239 WeakPolarHBondContact O-CB 3.34Å; A236-N239 PolarHBondContact O-N 3.41Å; N239-A242 PolarHBondContact O-N 3.26Å; N239-C243 WeakPolarHBondContact O-CB 3.48Å; N239-C243 PolarHBondContact O-N 3.34Å
240	F	68.6	Low	67.5	Low	23 Å²	23	48.1 Å²	48.1	10%	0.101	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-51.5	175.3	173.9	-110.6	0	0	0	111.1	C207 L208 F211 A236 L237 E238 A242 C243 V244 F264	C207-F240 HydrophobicContact CB-CD2 3.91Å; C207-F240 HydrophobicContact CB-CE2 4.11Å; L208-F240 HydrophobicContact CB-CE2 3.92Å; L208-F240 HydrophobicContact CD1-CE2 4.05Å; L208-F240 HydrophobicContact CD1-CZ 4.24Å; F211-F240 HydrophobicContact CB-CB 4.05Å; F211-F240 HydrophobicContact CB-CD2 4.14Å; F211-F240 HydrophobicContact CB-CG 4.29Å; F211-F240 HydrophobicContact CD2-CB 4Å; F211-F240 HydrophobicContact CG-CB 4.19Å; F211-F240 HydrophobicContact CG-CG 4.44Å; A236-F240 WeakPolarHBondContact O-CB 3.45Å; A236-F240 PolarHBondContact O-N 2.9Å; L237-F240 HydrophobicContact CD1-CD1 4.29Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 3.19Å; E238-F240 VanDerWaalsContact C-N 3.3Å; E238-F240 PolarHBondContact O-N 2.86Å; F240-A242 VanDerWaalsContact C-N 3.33Å; F240-A242 PolarHBondContact O-N 3.41Å; F240-C243 PolarHBondContact O-N 2.91Å; F240-V244 HydrophobicContact CD2-CG2 4.21Å; F240-V244 HydrophobicContact CE2-CG2 3.79Å; F240-V244 HydrophobicContact CZ-CG2 4.05Å; F240-V244 WeakPolarHBondContact O-CG2 3.02Å; F240-V244 PolarHBondContact O-N 2.86Å; F240-F264 AromaticContact CE1-CD1 3.71Å; F240-F264 HydrophobicContact CE1-CD1 3.71Å; F240-F264 HydrophobicContact CE1-CE1 4.08Å; F240-F264 HydrophobicContact CZ-CD1 4.14Å; F240-F264 HydrophobicContact CZ-CE1 4.03Å
241	V	67.3	Low	66.9	Low	10 Å²	10	49.9 Å²	49.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-43.3	178.4	178.1	0	0	0	0	111	L237 E238 V244 K245 F264 F282	L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 2.99Å; E238-V241 PolarHBondContact O-N 3.19Å; V241-V244 PolarHBondContact O-N 2.93Å; V241-K245 WeakPolarHBondContact O-CB 3.48Å; V241-K245 PolarHBondContact O-N 3.27Å; V241-F264 HydrophobicContact CG1-CB 4.29Å; V241-F264 HydrophobicContact CG2-CB 3.97Å; V241-F282 HydrophobicContact CB-CE2 4.39Å; V241-F282 HydrophobicContact CG2-CE2 3.7Å; V241-F282 HydrophobicContact CG2-CZ 4.11Å
242	A	70.2	Confident	66.2	Low	56 Å²	56	47.4 Å²	47.4	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-41.8	177.7	0	0	0	0	0	112.6	E238 N239 F240 K245 K246	E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.21Å; N239-A242 PolarHBondContact O-N 3.26Å; F240-A242 VanDerWaalsContact C-N 3.33Å; F240-A242 PolarHBondContact O-N 3.41Å; A242-K245 PolarHBondContact O-N 2.9Å; A242-K246 PolarHBondContact O-N 2.9Å
243	C	64.9	Low	65.6	Low	41 Å²	41	46 Å²	46	28%	0.277	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-42.7	178.9	-176.3	0	0	0	0	111.3	C207 N239 F240 P247	C207-C243 VanDerWaalsContact CA-SG 3.58Å; C207-C243 HydrophobicContact CB-CB 3.68Å; C207-C243 WeakPolarHBondContact CB-SG 3.49Å; C207-C243 WeakPolarHBondContact SG-CB 3.44Å; C207-C243 CovalentContact SG-SG 2.03Å; C207-C243 PolarHBondContact SG-SG 3.16Å; N239-C243 WeakPolarHBondContact O-CB 3.48Å; N239-C243 PolarHBondContact O-N 3.34Å; F240-C243 PolarHBondContact O-N 2.91Å; C243-P247 WeakPolarHBondContact O-CD 3.46Å
244	V	61.7	Low	65.2	Low	2 Å²	2	49.9 Å²	49.9	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-76.4	-32.6	176.4	-175.1	0	0	0	0	111.9	C207 F240 V241 K246 P247 L248 F264	C207-V244 HydrophobicContact CB-CG2 3.85Å; F240-V244 HydrophobicContact CD2-CG2 4.21Å; F240-V244 HydrophobicContact CE2-CG2 3.79Å; F240-V244 HydrophobicContact CZ-CG2 4.05Å; F240-V244 WeakPolarHBondContact O-CG2 3.02Å; F240-V244 PolarHBondContact O-N 2.86Å; V241-V244 PolarHBondContact O-N 2.93Å; V244-K246 VanDerWaalsContact C-N 3.35Å; V244-K246 PolarHBondContact O-N 3.3Å; V244-P247 WeakPolarHBondContact O-CD 3.49Å; V244-L248 HydrophobicContact CG1-CD1 3.82Å; V244-L248 HydrophobicContact CG1-CG 4.28Å; V244-L248 WeakPolarHBondContact O-CD1 3.41Å; V244-L248 WeakPolarHBondContact O-CG 3.46Å; V244-L248 PolarHBondContact O-N 2.85Å; V244-F264 HydrophobicContact CB-CE2 4.19Å; V244-F264 HydrophobicContact CB-CZ 4.26Å; V244-F264 HydrophobicContact CG1-CD2 4.13Å; V244-F264 HydrophobicContact CG1-CE1 4.2Å; V244-F264 HydrophobicContact CG1-CE2 3.37Å; V244-F264 HydrophobicContact CG1-CZ 3.42Å; V244-F264 VanDerWaalsContact CG1-CZ 3.42Å; V244-F264 HydrophobicContact CG2-CZ 4.5Å
245	K	66.1	Low	64.6	Low	79 Å²	79	55.2 Å²	55.2	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-40.4	180	-179.9	174.7	178.9	168.6	0	112.9	V241 A242 L248 V249	V241-K245 WeakPolarHBondContact O-CB 3.48Å; V241-K245 PolarHBondContact O-N 3.27Å; A242-K245 PolarHBondContact O-N 2.9Å; K245-L248 WeakPolarHBondContact O-CB 3.35Å; K245-L248 PolarHBondContact O-N 2.93Å; K245-V249 HydrophobicContact CG-CG2 3.87Å; K245-V249 WeakPolarHBondContact O-CG2 3.36Å; K245-V249 PolarHBondContact O-N 2.92Å
246	K	66.5	Low	63.7	Low	142 Å²	142	51.4 Å²	51.4	62%	0.617	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-53.5	-175.5	177.4	-177.1	-179.7	-171.5	0	112.3	A242 V244 L248 V249 E250	A242-K246 PolarHBondContact O-N 2.9Å; V244-K246 VanDerWaalsContact C-N 3.35Å; V244-K246 PolarHBondContact O-N 3.3Å; K246-L248 PolarHBondContact O-N 3.44Å; K246-V249 PolarHBondContact O-N 2.04Å; K246-E250 WeakPolarHBondContact CE-OE1 3.28Å; K246-E250 WeakPolarHBondContact CG-OE1 3.07Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 2.9Å; K246-E250 VanDerWaalsContact O-N 3.13Å
247	P	56.4	Low	63.2	Low	9 Å²	9	51.7 Å²	51.7	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-34.2	173.6	-22.5	28.9	0	0	0	113.9	A200 D203 C243 V244 K251	A200-P247 HydrophobicContact CB-CB 3.62Å; D203-P247 HydrophobicContact CB-CG 4.06Å; C243-P247 WeakPolarHBondContact O-CD 3.46Å; V244-P247 WeakPolarHBondContact O-CD 3.49Å; P247-K251 VanDerWaalsContact O-CB 3.31Å; P247-K251 WeakPolarHBondContact O-CB 3.04Å; P247-K251 WeakPolarHBondContact O-CG 3.44Å; P247-K251 PolarHBondContact O-N 3.13Å; P247-K251 VanDerWaalsContact O-N 3.07Å
248	L	57.6	Low	62.8	Low	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-49.6	177.7	-69.7	166.8	0	0	0	112.2	V197 V244 K245 K246 E250 K251 C252 W260 F264	V197-L248 HydrophobicContact CB-CD2 4.21Å; V197-L248 HydrophobicContact CG1-CD2 3.75Å; V197-L248 HydrophobicContact CG2-CD2 3.58Å; V244-L248 HydrophobicContact CG1-CD1 3.82Å; V244-L248 HydrophobicContact CG1-CG 4.28Å; V244-L248 WeakPolarHBondContact O-CD1 3.41Å; V244-L248 WeakPolarHBondContact O-CG 3.46Å; V244-L248 PolarHBondContact O-N 2.85Å; K245-L248 WeakPolarHBondContact O-CB 3.35Å; K245-L248 PolarHBondContact O-N 2.93Å; K246-L248 PolarHBondContact O-N 3.44Å; L248-E250 PolarHBondContact O-N 3.35Å; L248-K251 PolarHBondContact O-N 3.25Å; L248-C252 WeakPolarHBondContact O-CA 3.49Å; L248-C252 WeakPolarHBondContact O-CB 3.31Å; L248-C252 PolarHBondContact O-N 3.26Å; L248-C252 PolarHBondContact O-SG 3.11Å; L248-W260 HydrophobicContact CD1-CB 3.35Å; L248-W260 HydrophobicContact CD1-CD2 4.39Å; L248-W260 HydrophobicContact CD1-CG 3.84Å; L248-W260 HydrophobicContact CD2-CB 3.99Å; L248-W260 VanDerWaalsContact CD2-CD1 3.5Å; L248-W260 HydrophobicContact CD2-CD2 3.86Å; L248-W260 HydrophobicContact CD2-CG 3.54Å; L248-W260 HydrophobicContact CG-CB 4.25Å; L248-W260 HydrophobicContact CG-CG 4.32Å; L248-F264 HydrophobicContact CD1-CD2 4.29Å; L248-F264 HydrophobicContact CD1-CE2 3.87Å
249	V	64.3	Low	61.9	Low	76 Å²	76	54 Å²	54	46%	0.461	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-34.5	179.7	174.5	0	0	0	0	110.9	K245 K246 A257	K245-V249 HydrophobicContact CG-CG2 3.87Å; K245-V249 WeakPolarHBondContact O-CG2 3.36Å; K245-V249 PolarHBondContact O-N 2.92Å; K246-V249 PolarHBondContact O-N 2.04Å; V249-A257 HydrophobicContact CB-CB 4.45Å; V249-A257 HydrophobicContact CG2-CB 3.75Å
250	E	64.8	Low	61	Low	132 Å²	132	51.5 Å²	51.5	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-72	-33.3	177.8	-71.8	172.9	-172.2	0	0	113.1	K246 L248	K246-E250 WeakPolarHBondContact CE-OE1 3.28Å; K246-E250 WeakPolarHBondContact CG-OE1 3.07Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 2.9Å; K246-E250 VanDerWaalsContact O-N 3.13Å; L248-E250 PolarHBondContact O-N 3.35Å
251	K	59.7	Low	60.6	Low	67 Å²	67	51.8 Å²	51.8	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-105.9	-8.6	-172	-64.7	-172.7	-179.7	-172.4	0	114.7	N196 V197 S199 A200 P247 L248	N196-K251 HydrophobicContact CB-CB 4.14Å; N196-K251 PolarHBondContact ND2-O 2.93Å; N196-K251 WeakPolarHBondContact O-CD 3.28Å; V197-K251 HydrophobicContact CG2-CB 3.97Å; S199-K251 PolarHBondContact OG-NZ 3.33Å; A200-K251 HydrophobicContact CB-CD 3.88Å; A200-K251 VanDerWaalsContact CB-NZ 3.27Å; A200-K251 VanDerWaalsContact N-NZ 3.16Å; P247-K251 VanDerWaalsContact O-CB 3.31Å; P247-K251 WeakPolarHBondContact O-CB 3.04Å; P247-K251 WeakPolarHBondContact O-CG 3.44Å; P247-K251 PolarHBondContact O-N 3.13Å; P247-K251 VanDerWaalsContact O-N 3.07Å; L248-K251 PolarHBondContact O-N 3.25Å
252	C	55.7	Low	60	Low	18 Å²	18	54.9 Å²	54.9	12%	0.122	29%	0.288	C	S	.	.	S	Bend	trans	-124.9	158.4	-173.5	-56.6	0	0	0	0	112.8	C193 V197 L248	C193-C252 VanDerWaalsContact C-SG 3.6Å; C193-C252 WeakPolarHBondContact CA-SG 3.07Å; C193-C252 HydrophobicContact CB-CB 3.48Å; C193-C252 VanDerWaalsContact CB-CB 3.48Å; C193-C252 WeakPolarHBondContact CB-SG 3.23Å; C193-C252 WeakPolarHBondContact SG-CB 3.2Å; C193-C252 CovalentContact SG-SG 2Å; C193-C252 PolarHBondContact SG-SG 3.27Å; V197-C252 WeakPolarHBondContact CG2-SG 3.43Å; L248-C252 WeakPolarHBondContact O-CA 3.49Å; L248-C252 WeakPolarHBondContact O-CB 3.31Å; L248-C252 PolarHBondContact O-N 3.26Å; L248-C252 PolarHBondContact O-SG 3.11Å
253	T	59.7	Low	59.1	Low	68 Å²	68	52.9 Å²	52.9	42%	0.417	27%	0.271	S	S	.	.			trans	-61.2	152.8	165.6	63.6	0	0	0	0	110.4	T189 E255 S256 A257	T189-T253 HydrophobicContact CG2-CG2 3.81Å; T189-T253 WeakPolarHBondContact CG2-OG1 3.48Å; T253-E255 PolarHBondContact O-N 3.41Å; T253-S256 CarbonylContact O-C 3.22Å; T253-S256 WeakPolarHBondContact O-CA 3.06Å; T253-S256 WeakPolarHBondContact O-CB 3.5Å; T253-S256 PolarHBondContact O-N 2.9Å; T253-S256 WeakPolarHBondContact OG1-CB 3.41Å; T253-S256 PolarHBondContact OG1-N 2.83Å; T253-S256 PolarHBondContact OG1-OG 2.91Å; T253-A257 PolarHBondContact O-N 3.33Å
254	V	61.1	Low	58.7	Low	107 Å²	107	52.4 Å²	52.4	65%	0.648	27%	0.265	S	S	*	.	H	α-helix	trans	-52.6	-43.6	178.6	175.3	0	0	0	0	111.6	S256 A257 H258	V254-S256 VanDerWaalsContact C-N 3.28Å; V254-S256 PolarHBondContact O-N 3.23Å; V254-A257 PolarHBondContact O-N 3.45Å; V254-H258 PolarHBondContact O-CD2 2.81Å; V254-H258 PolarHBondContact O-N 2.99Å
255	E	56.4	Low	58.4	Low	113 Å²	113	53.3 Å²	53.3	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-40.6	176.1	-65.9	-174.6	160.1	0	0	112.1	T253 H258 L259	T253-E255 PolarHBondContact O-N 3.41Å; E255-H258 PolarHBondContact O-N 2.75Å; E255-L259 WeakPolarHBondContact O-CG 3.41Å; E255-L259 PolarHBondContact O-N 3.38Å
256	S	55.5	Low	57.7	Low	1 Å²	1	50.8 Å²	50.8	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-75.9	-35.1	179.8	-56.6	0	0	0	0	112.8	T189 C193 T253 V254 H258 L259 W260	T189-S256 WeakPolarHBondContact CG2-OG 3Å; T189-S256 PolarHBondContact O-OG 3.26Å; C193-S256 VanDerWaalsContact SG-CB 3.58Å; T253-S256 CarbonylContact O-C 3.22Å; T253-S256 WeakPolarHBondContact O-CA 3.06Å; T253-S256 WeakPolarHBondContact O-CB 3.5Å; T253-S256 PolarHBondContact O-N 2.9Å; T253-S256 WeakPolarHBondContact OG1-CB 3.41Å; T253-S256 PolarHBondContact OG1-N 2.83Å; T253-S256 PolarHBondContact OG1-OG 2.91Å; V254-S256 VanDerWaalsContact C-N 3.28Å; V254-S256 PolarHBondContact O-N 3.23Å; S256-H258 VanDerWaalsContact C-N 3.3Å; S256-H258 PolarHBondContact O-N 2.81Å; S256-L259 VanDerWaalsContact O-CB 3.28Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.27Å; S256-W260 PolarHBondContact O-N 3.27Å; S256-W260 VanDerWaalsContact O-N 3.15Å
257	A	59.3	Low	56.9	Low	8 Å²	8	47.2 Å²	47.2	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-38.4	172.3	0	0	0	0	0	111.5	V249 T253 V254 W260 Q261	V249-A257 HydrophobicContact CB-CB 4.45Å; V249-A257 HydrophobicContact CG2-CB 3.75Å; T253-A257 PolarHBondContact O-N 3.33Å; V254-A257 PolarHBondContact O-N 3.45Å; A257-W260 PolarHBondContact O-N 3.45Å; A257-Q261 PolarHBondContact O-N 2.73Å
258	H	59.4	Low	56.7	Low	95 Å²	95	46.9 Å²	46.9	44%	0.44	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-38.5	172.7	-75.9	-61	0	0	0	112.8	V254 E255 S256 W260 Q261 D262	V254-H258 PolarHBondContact O-CD2 2.81Å; V254-H258 PolarHBondContact O-N 2.99Å; E255-H258 PolarHBondContact O-N 2.75Å; S256-H258 VanDerWaalsContact C-N 3.3Å; S256-H258 PolarHBondContact O-N 2.81Å; H258-W260 VanDerWaalsContact C-N 3.3Å; H258-W260 PolarHBondContact O-N 3.02Å; H258-Q261 PolarHBondContact O-N 3.14Å; H258-D262 PolarHBondContact O-N 2.07Å; H258-D262 VanDerWaalsContact O-N 3.08Å
259	L	52.8	Low	56.5	Low	9 Å²	9	49.4 Å²	49.4	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-53.3	-51.1	173.1	-75.1	160.9	0	0	0	111	R179 H190 E255 S256 D262 A263	R179-L259 HydrophobicContact CB-CD2 4.45Å; R179-L259 HydrophobicContact CG-CD2 4.37Å; R179-L259 VanDerWaalsContact CZ-CD2 3.48Å; H190-L259 HydrophobicContact CB-CD1 3.75Å; H190-L259 WeakPolarHBondContact ND1-CD1 3.42Å; E255-L259 WeakPolarHBondContact O-CG 3.41Å; E255-L259 PolarHBondContact O-N 3.38Å; S256-L259 VanDerWaalsContact O-CB 3.28Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.27Å; L259-D262 PolarHBondContact O-N 3.31Å; L259-A263 PolarHBondContact O-N 3.45Å
260	W	54	Low	55.7	Low	24 Å²	24	47.8 Å²	47.8	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-38.3	-179	-81.4	107.7	0	0	0	112.4	F130 H190 C193 T194 L248 S256 A257 H258 D262 A263 F264	F130-W260 HydrophobicContact CD1-CH2 4.3Å; F130-W260 HydrophobicContact CD1-CZ2 4.44Å; F130-W260 AromaticContact CE1-CH2 3.25Å; F130-W260 HydrophobicContact CE1-CH2 3.25Å; F130-W260 AromaticContact CE1-CZ2 3.78Å; F130-W260 HydrophobicContact CE1-CZ2 3.78Å; F130-W260 HydrophobicContact CE1-CZ3 4.18Å; F130-W260 HydrophobicContact CE2-CH2 4.47Å; F130-W260 AromaticContact CZ-CH2 3.39Å; F130-W260 HydrophobicContact CZ-CH2 3.39Å; F130-W260 HydrophobicContact CZ-CZ2 4.18Å; F130-W260 HydrophobicContact CZ-CZ3 4.28Å; H190-W260 AromaticContact CE1-CD1 3.64Å; H190-W260 AromaticContact CE1-CD2 3.97Å; H190-W260 AromaticContact CE1-CE2 3.67Å; H190-W260 AromaticContact CE1-NE1 3.34Å; H190-W260 PolarHBondContact CE1-NE1 3.46Å; H190-W260 VanDerWaalsContact CE1-NE1 3.34Å; H190-W260 AromaticContact ND1-CD1 3.9Å; H190-W260 AromaticContact ND1-NE1 3.71Å; C193-W260 PolarHBondContact SG-NE1 2.88Å; C193-W260 VanDerWaalsContact SG-NE1 3.35Å; T194-W260 HydrophobicContact CG2-CZ2 3.95Å; T194-W260 WeakPolarHBondContact OG1-CZ2 3.31Å; T194-W260 PolarHBondContact OG1-NE1 2.94Å; L248-W260 HydrophobicContact CD1-CB 3.35Å; L248-W260 HydrophobicContact CD1-CD2 4.39Å; L248-W260 HydrophobicContact CD1-CG 3.84Å; L248-W260 HydrophobicContact CD2-CB 3.99Å; L248-W260 VanDerWaalsContact CD2-CD1 3.5Å; L248-W260 HydrophobicContact CD2-CD2 3.86Å; L248-W260 HydrophobicContact CD2-CG 3.54Å; L248-W260 HydrophobicContact CG-CB 4.25Å; L248-W260 HydrophobicContact CG-CG 4.32Å; S256-W260 PolarHBondContact O-N 3.27Å; S256-W260 VanDerWaalsContact O-N 3.15Å; A257-W260 PolarHBondContact O-N 3.45Å; H258-W260 VanDerWaalsContact C-N 3.3Å; H258-W260 PolarHBondContact O-N 3.02Å; W260-D262 VanDerWaalsContact C-N 3.34Å; W260-D262 PolarHBondContact O-N 3.46Å; W260-A263 WeakPolarHBondContact O-CB 3.42Å; W260-A263 PolarHBondContact O-N 3.01Å; W260-F264 HydrophobicContact CB-CD2 4.33Å; W260-F264 HydrophobicContact CB-CE2 4.21Å; W260-F264 HydrophobicContact CD2-CE2 4.17Å; W260-F264 HydrophobicContact CE3-CD2 4.16Å; W260-F264 AromaticContact CE3-CE2 3.29Å; W260-F264 HydrophobicContact CE3-CE2 3.29Å; W260-F264 AromaticContact CE3-CZ 3.69Å; W260-F264 HydrophobicContact CE3-CZ 3.69Å; W260-F264 AromaticContact CZ3-CE2 3.81Å; W260-F264 HydrophobicContact CZ3-CE2 3.81Å; W260-F264 AromaticContact CZ3-CZ 3.69Å; W260-F264 HydrophobicContact CZ3-CZ 3.69Å; W260-F264 WeakPolarHBondContact O-CD2 3.27Å; W260-F264 PolarHBondContact O-N 3.23Å
261	Q	58.3	Low	54.9	Low	29 Å²	29	45.6 Å²	45.6	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-46.9	175.1	-173.5	173.2	-12.6	0	0	111.5	A257 H258 A263 F264 V265 Y277	A257-Q261 PolarHBondContact O-N 2.73Å; H258-Q261 PolarHBondContact O-N 3.14Å; Q261-A263 VanDerWaalsContact C-N 3.28Å; Q261-A263 PolarHBondContact O-N 3.29Å; Q261-F264 PolarHBondContact O-N 3.43Å; Q261-V265 WeakPolarHBondContact O-CB 3.45Å; Q261-V265 VanDerWaalsContact O-CG2 3.24Å; Q261-V265 WeakPolarHBondContact O-CG2 3.38Å; Q261-V265 PolarHBondContact O-N 3.1Å; Q261-Y277 PolarHBondContact NE2-OH 3.22Å
262	D	54.8	Low	54.9	Low	74 Å²	74	42.6 Å²	42.6	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-35.4	177.4	-70.3	-10.3	0	0	0	112.1	R179 H258 L259 W260 V265 S266	R179-D262 IonicContact CZ-OD2 3.44Å; R179-D262 IonicContact NH2-OD2 3.86Å; R179-D262 PolarHBondContact NH2-OD2 2.91Å; H258-D262 PolarHBondContact O-N 2.07Å; H258-D262 VanDerWaalsContact O-N 3.08Å; L259-D262 PolarHBondContact O-N 3.31Å; W260-D262 VanDerWaalsContact C-N 3.34Å; W260-D262 PolarHBondContact O-N 3.46Å; D262-V265 PolarHBondContact O-N 2.88Å; D262-S266 WeakPolarHBondContact O-CB 3.05Å; D262-S266 PolarHBondContact O-N 3.36Å; D262-S266 PolarHBondContact O-OG 3.38Å
263	A	51.8	Low	55	Low	14 Å²	14	44.1 Å²	44.1	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-50.1	174.5	0	0	0	0	0	112.1	V175 L259 W260 Q261 V265 S266 V267	V175-A263 HydrophobicContact CB-CB 4.36Å; V175-A263 HydrophobicContact CG1-CB 3.48Å; V175-A263 VanDerWaalsContact CG1-CB 3.48Å; V175-A263 HydrophobicContact CG2-CB 4.01Å; L259-A263 PolarHBondContact O-N 3.45Å; W260-A263 WeakPolarHBondContact O-CB 3.42Å; W260-A263 PolarHBondContact O-N 3.01Å; Q261-A263 VanDerWaalsContact C-N 3.28Å; Q261-A263 PolarHBondContact O-N 3.29Å; A263-V265 VanDerWaalsContact C-N 3.33Å; A263-V265 PolarHBondContact O-N 2.84Å; A263-S266 WeakPolarHBondContact O-CB 3.35Å; A263-S266 PolarHBondContact O-N 2.81Å; A263-V267 WeakPolarHBondContact O-CG2 3.26Å; A263-V267 PolarHBondContact O-N 3.32Å
264	F	56	Low	55.2	Low	31 Å²	31	42 Å²	42	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-35.3	179.2	-75.7	-62.4	0	0	0	112.2	F240 V241 V244 L248 W260 Q261 G268	F240-F264 AromaticContact CE1-CD1 3.71Å; F240-F264 HydrophobicContact CE1-CD1 3.71Å; F240-F264 HydrophobicContact CE1-CE1 4.08Å; F240-F264 HydrophobicContact CZ-CD1 4.14Å; F240-F264 HydrophobicContact CZ-CE1 4.03Å; V241-F264 HydrophobicContact CG1-CB 4.29Å; V241-F264 HydrophobicContact CG2-CB 3.97Å; V244-F264 HydrophobicContact CB-CE2 4.19Å; V244-F264 HydrophobicContact CB-CZ 4.26Å; V244-F264 HydrophobicContact CG1-CD2 4.13Å; V244-F264 HydrophobicContact CG1-CE1 4.2Å; V244-F264 HydrophobicContact CG1-CE2 3.37Å; V244-F264 HydrophobicContact CG1-CZ 3.42Å; V244-F264 VanDerWaalsContact CG1-CZ 3.42Å; V244-F264 HydrophobicContact CG2-CZ 4.5Å; L248-F264 HydrophobicContact CD1-CD2 4.29Å; L248-F264 HydrophobicContact CD1-CE2 3.87Å; W260-F264 HydrophobicContact CB-CD2 4.33Å; W260-F264 HydrophobicContact CB-CE2 4.21Å; W260-F264 HydrophobicContact CD2-CE2 4.17Å; W260-F264 HydrophobicContact CE3-CD2 4.16Å; W260-F264 AromaticContact CE3-CE2 3.29Å; W260-F264 HydrophobicContact CE3-CE2 3.29Å; W260-F264 AromaticContact CE3-CZ 3.69Å; W260-F264 HydrophobicContact CE3-CZ 3.69Å; W260-F264 AromaticContact CZ3-CE2 3.81Å; W260-F264 HydrophobicContact CZ3-CE2 3.81Å; W260-F264 AromaticContact CZ3-CZ 3.69Å; W260-F264 HydrophobicContact CZ3-CZ 3.69Å; W260-F264 WeakPolarHBondContact O-CD2 3.27Å; W260-F264 PolarHBondContact O-N 3.23Å; Q261-F264 PolarHBondContact O-N 3.43Å; F264-G268 PolarHBondContact O-N 3.19Å
265	V	56.6	Low	55.4	Low	22 Å²	22	37 Å²	37	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-44.7	171.9	170.5	0	0	0	0	111.2	Q261 D262 A263 G268 S269 Y277 F282	Q261-V265 WeakPolarHBondContact O-CB 3.45Å; Q261-V265 VanDerWaalsContact O-CG2 3.24Å; Q261-V265 WeakPolarHBondContact O-CG2 3.38Å; Q261-V265 PolarHBondContact O-N 3.1Å; D262-V265 PolarHBondContact O-N 2.88Å; A263-V265 VanDerWaalsContact C-N 3.33Å; A263-V265 PolarHBondContact O-N 2.84Å; V265-G268 PolarHBondContact O-N 3Å; V265-S269 PolarHBondContact O-N 3.48Å; V265-S269 VanDerWaalsContact O-N 3.07Å; V265-Y277 HydrophobicContact CB-CD1 4.46Å; V265-Y277 HydrophobicContact CB-CG 4.49Å; V265-Y277 HydrophobicContact CG1-CD1 3.58Å; V265-Y277 HydrophobicContact CG1-CD2 4.25Å; V265-Y277 HydrophobicContact CG1-CE1 4.17Å; V265-Y277 HydrophobicContact CG1-CG 3.59Å; V265-Y277 HydrophobicContact CG2-CD1 3.97Å; V265-Y277 HydrophobicContact CG2-CD2 3.92Å; V265-Y277 HydrophobicContact CG2-CE1 3.78Å; V265-Y277 HydrophobicContact CG2-CE2 3.73Å; V265-Y277 HydrophobicContact CG2-CG 4.01Å; V265-F282 HydrophobicContact CB-CZ 4.46Å; V265-F282 HydrophobicContact CG2-CZ 4.13Å
266	S	51.2	Low	56	Low	26 Å²	26	34.1 Å²	34.1	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-48.4	178.2	-59.2	0	0	0	0	111.6	D262 A263 G268 S269	D262-S266 WeakPolarHBondContact O-CB 3.05Å; D262-S266 PolarHBondContact O-N 3.36Å; D262-S266 PolarHBondContact O-OG 3.38Å; A263-S266 WeakPolarHBondContact O-CB 3.35Å; A263-S266 PolarHBondContact O-N 2.81Å; S266-G268 VanDerWaalsContact C-N 3.32Å; S266-G268 PolarHBondContact O-N 2.73Å; S266-S269 PolarHBondContact O-N 3.37Å; S266-S269 PolarHBondContact O-OG 3.35Å
267	V	48.9	Very low	56.4	Low	67 Å²	67	37.4 Å²	37.4	41%	0.406	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-41.9	175.1	173.6	0	0	0	0	111.1	A263 S269 V270 V271	A263-V267 WeakPolarHBondContact O-CG2 3.26Å; A263-V267 PolarHBondContact O-N 3.32Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 PolarHBondContact O-N 3.24Å; V267-V270 WeakPolarHBondContact O-CB 3.11Å; V267-V270 PolarHBondContact O-N 3.07Å; V267-V271 HydrophobicContact CG1-CG2 4.09Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 2.89Å
268	G	53.9	Low	56.8	Low	2 Å²	2	45.2 Å²	45.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-39.3	176.8	0	0	0	0	0	113.2	F264 V265 S266 V270 V271 A272	F264-G268 PolarHBondContact O-N 3.19Å; V265-G268 PolarHBondContact O-N 3Å; S266-G268 VanDerWaalsContact C-N 3.32Å; S266-G268 PolarHBondContact O-N 2.73Å; G268-V270 PolarHBondContact O-N 2.85Å; G268-V271 PolarHBondContact O-N 3.33Å; G268-A272 PolarHBondContact O-N 3.46Å
269	S	52.5	Low	57.1	Low	54 Å²	54	50.1 Å²	50.1	38%	0.378	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-21.2	176.3	79	0	0	0	0	114.2	V265 S266 V267 P273	V265-S269 PolarHBondContact O-N 3.48Å; V265-S269 VanDerWaalsContact O-N 3.07Å; S266-S269 PolarHBondContact O-N 3.37Å; S266-S269 PolarHBondContact O-OG 3.35Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 PolarHBondContact O-N 3.24Å; S269-P273 WeakPolarHBondContact O-CA 3.27Å
270	V	48.1	Very low	57.7	Low	42 Å²	42	51.5 Å²	51.5	26%	0.255	27%	0.274	S	S	.	.	H	α-helix	trans	-86.8	-43.5	175.8	-179.6	0	0	0	0	110.9	A171 V267 G268	A171-V270 HydrophobicContact CB-CG2 3.71Å; V267-V270 WeakPolarHBondContact O-CB 3.11Å; V267-V270 PolarHBondContact O-N 3.07Å; G268-V270 PolarHBondContact O-N 2.85Å
271	V	48.1	Very low	58.5	Low	87 Å²	87	55.6 Å²	55.6	53%	0.527	29%	0.294	S	S	.	.	H	α-helix	trans	-73.7	-34.6	-177.1	178.9	0	0	0	0	111.9	F211 V267 G268	F211-V271 HydrophobicContact CE1-CG1 3.82Å; F211-V271 HydrophobicContact CZ-CG1 3.98Å; V267-V271 HydrophobicContact CG1-CG2 4.09Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 2.89Å; G268-V271 PolarHBondContact O-N 3.33Å
272	A	58.6	Low	58.9	Low	3 Å²	3	54.7 Å²	54.7	3%	0.025	29%	0.29	C	S	.	.			trans	-132.4	75.4	178.1	0	0	0	0	0	110.4	L237 G268 E274 C275	L237-A272 HydrophobicContact CD2-CB 4.15Å; G268-A272 PolarHBondContact O-N 3.46Å; A272-E274 WeakPolarHBondContact CA-OE2 3.45Å; A272-E274 PolarHBondContact O-N 3.3Å; A272-E274 VanDerWaalsContact O-N 3.13Å; A272-C275 HydrophobicContact CB-CB 4.39Å; A272-C275 WeakPolarHBondContact O-CB 3.45Å; A272-C275 PolarHBondContact O-N 3.17Å
273	P	58.5	Low	59.6	Low	50 Å²	50	53.7 Å²	53.7	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.1	-178.8	27.9	-36.4	0	0	0	113.4	S269 C275 R285	S269-P273 WeakPolarHBondContact O-CA 3.27Å; P273-C275 PolarHBondContact O-N 3.17Å; P273-R285 WeakPolarHBondContact O-CD 3.46Å; P273-R285 PolarHBondContact O-NE 2.93Å
274	E	64	Low	60.4	Low	23 Å²	23	54.3 Å²	54.3	11%	0.107	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.1	169.1	63.2	-98	-128.7	0	0	113.5	R230 R233 A272 A284 R285	R230-E274 HydrophobicContact CG-CB 4.22Å; R230-E274 HydrophobicContact CG-CG 4.1Å; R233-E274 WeakPolarHBondContact CD-OE1 3.47Å; R233-E274 IonicContact CZ-OE1 3.1Å; R233-E274 IonicContact NE-OE1 3.36Å; R233-E274 IonicContact NH1-OE1 2.63Å; R233-E274 PolarHBondContact NH1-OE1 3.31Å; A272-E274 WeakPolarHBondContact CA-OE2 3.45Å; A272-E274 PolarHBondContact O-N 3.3Å; A272-E274 VanDerWaalsContact O-N 3.13Å; E274-A284 CarbonylContact O-C 3.33Å; E274-R285 WeakPolarHBondContact O-CB 3.39Å; E274-R285 WeakPolarHBondContact O-CG 3.48Å; E274-R285 PolarHBondContact O-N 2.92Å
275	C	65.4	Low	61	Low	4 Å²	4	58.7 Å²	58.7	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.2	179.4	-57	0	0	0	0	111.1	C234 L237 A272 P273 F282 A283	C234-C275 WeakPolarHBondContact CA-SG 3.23Å; C234-C275 HydrophobicContact CB-CB 3.98Å; C234-C275 WeakPolarHBondContact CB-SG 3.39Å; C234-C275 WeakPolarHBondContact SG-CA 3.49Å; C234-C275 WeakPolarHBondContact SG-CB 3.42Å; C234-C275 CovalentContact SG-SG 2.04Å; C234-C275 PolarHBondContact SG-SG 2.96Å; L237-C275 HydrophobicContact CD2-CB 4.36Å; A272-C275 HydrophobicContact CB-CB 4.39Å; A272-C275 WeakPolarHBondContact O-CB 3.45Å; A272-C275 PolarHBondContact O-N 3.17Å; P273-C275 PolarHBondContact O-N 3.17Å; C275-F282 HydrophobicContact CB-CB 4.49Å; C275-F282 HydrophobicContact CB-CD1 4.13Å; C275-A283 CarbonylContact C-O 3.58Å; C275-A283 WeakPolarHBondContact CA-O 3.15Å
276	I	69.1	Low	61.2	Low	51 Å²	51	64.1 Å²	64.1	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.3	170.4	-53.3	171.8	0	0	0	107.3	R278 F282 A283 R285	I276-R278 HydrophobicContact CG2-CG 3.8Å; I276-F282 WeakPolarHBondContact O-CA 3.49Å; I276-A283 PolarHBondContact N-O 2.82Å; I276-A283 PolarHBondContact O-N 3.18Å; I276-R285 HydrophobicContact CD1-CG 3.52Å; I276-R285 HydrophobicContact CG1-CG 3.38Å
277	Y	63.6	Low	61.3	Low	70 Å²	70	67.5 Å²	67.5	28%	0.275	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.6	169.2	-169.4	-105.8	0	0	0	110.5	Q261 V265 G280 H281 F282	Q261-Y277 PolarHBondContact NE2-OH 3.22Å; V265-Y277 HydrophobicContact CB-CD1 4.46Å; V265-Y277 HydrophobicContact CB-CG 4.49Å; V265-Y277 HydrophobicContact CG1-CD1 3.58Å; V265-Y277 HydrophobicContact CG1-CD2 4.25Å; V265-Y277 HydrophobicContact CG1-CE1 4.17Å; V265-Y277 HydrophobicContact CG1-CG 3.59Å; V265-Y277 HydrophobicContact CG2-CD1 3.97Å; V265-Y277 HydrophobicContact CG2-CD2 3.92Å; V265-Y277 HydrophobicContact CG2-CE1 3.78Å; V265-Y277 HydrophobicContact CG2-CE2 3.73Å; V265-Y277 HydrophobicContact CG2-CG 4.01Å; Y277-G280 VanDerWaalsContact CE2-C 3.45Å; Y277-G280 WeakPolarHBondContact CE2-O 3.46Å; Y277-G280 WeakPolarHBondContact OH-CA 3.36Å; Y277-H281 CarbonylContact C-O 3.58Å; Y277-H281 WeakPolarHBondContact CA-O 3.16Å; Y277-H281 WeakPolarHBondContact CD2-O 3.47Å; Y277-F282 AromaticContact CD2-CD1 3.97Å; Y277-F282 HydrophobicContact CD2-CD1 3.97Å; Y277-F282 AromaticContact CD2-CD2 3.78Å; Y277-F282 HydrophobicContact CD2-CD2 3.78Å; Y277-F282 AromaticContact CD2-CE1 3.83Å; Y277-F282 HydrophobicContact CD2-CE1 3.83Å; Y277-F282 AromaticContact CD2-CE2 3.63Å; Y277-F282 HydrophobicContact CD2-CE2 3.63Å; Y277-F282 AromaticContact CD2-CG 3.96Å; Y277-F282 HydrophobicContact CD2-CG 3.96Å; Y277-F282 AromaticContact CD2-CZ 3.68Å; Y277-F282 HydrophobicContact CD2-CZ 3.68Å; Y277-F282 HydrophobicContact CE2-CD2 4.24Å; Y277-F282 AromaticContact CE2-CE2 3.97Å; Y277-F282 HydrophobicContact CE2-CE2 3.97Å; Y277-F282 HydrophobicContact CE2-CZ 4.32Å; Y277-F282 HydrophobicContact CG-CD1 4.48Å; Y277-F282 HydrophobicContact CG-CE1 4.23Å; Y277-F282 HydrophobicContact CG-CZ 4.36Å
278	R	67.3	Low	61.2	Low	172 Å²	172	74.3 Å²	74.3	65%	0.649	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.5	175.6	-68.2	-171.7	176.7	-179.2	-0.3	110.1	I276 G280 H281	I276-R278 HydrophobicContact CG2-CG 3.8Å; R278-G280 PolarHBondContact O-N 2.69Å; R278-H281 PolarHBondContact N-O 2.73Å; R278-H281 PolarHBondContact O-N 3.21Å; R278-H281 VanDerWaalsContact O-O 3.13Å
279	Q	66.3	Low	60.8	Low	198 Å²	198	80.1 Å²	80.1	93%	0.925	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	30.8	175	-62.8	179.9	-20.2	0	0	114.9
280	G	64.7	Low	60.6	Low	38 Å²	38	78.4 Å²	78.4	39%	0.392	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-3.3	179.5	0	0	0	0	0	115.7	Y277 R278	Y277-G280 VanDerWaalsContact CE2-C 3.45Å; Y277-G280 WeakPolarHBondContact CE2-O 3.46Å; Y277-G280 WeakPolarHBondContact OH-CA 3.36Å; R278-G280 PolarHBondContact O-N 2.69Å
281	H	70.4	Confident	60.1	Low	110 Å²	110	79.5 Å²	79.5	51%	0.509	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.4	-173.8	-62.3	-76.3	0	0	0	112.3	E238 Y277 R278	E238-H281 IonicContact OE1-CE1 3.49Å; E238-H281 IonicContact OE1-CG 3.69Å; E238-H281 IonicContact OE1-ND1 2.73Å; E238-H281 PolarHBondContact OE1-ND1 2.66Å; E238-H281 IonicContact OE2-ND1 3.62Å; Y277-H281 CarbonylContact C-O 3.58Å; Y277-H281 WeakPolarHBondContact CA-O 3.16Å; Y277-H281 WeakPolarHBondContact CD2-O 3.47Å; R278-H281 PolarHBondContact N-O 2.73Å; R278-H281 PolarHBondContact O-N 3.21Å; R278-H281 VanDerWaalsContact O-O 3.13Å
282	F	67.6	Low	59.6	Low	11 Å²	11	79.7 Å²	79.7	5%	0.048	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.6	172.8	-72.1	-85.6	0	0	0	110.7	C234 L237 E238 V241 V265 C275 I276 Y277	C234-F282 HydrophobicContact CB-CB 4.05Å; L237-F282 HydrophobicContact CD2-CD1 3.57Å; L237-F282 HydrophobicContact CD2-CD2 4.36Å; L237-F282 HydrophobicContact CD2-CE1 3.41Å; L237-F282 VanDerWaalsContact CD2-CE1 3.41Å; L237-F282 HydrophobicContact CD2-CE2 4.23Å; L237-F282 HydrophobicContact CD2-CG 4.04Å; L237-F282 HydrophobicContact CD2-CZ 3.75Å; L237-F282 HydrophobicContact CG-CD1 4.26Å; L237-F282 HydrophobicContact CG-CD2 4.16Å; L237-F282 HydrophobicContact CG-CE1 4.06Å; L237-F282 HydrophobicContact CG-CE2 3.95Å; L237-F282 HydrophobicContact CG-CG 4.29Å; L237-F282 HydrophobicContact CG-CZ 3.88Å; E238-F282 HydrophobicContact CB-CD2 3.98Å; E238-F282 HydrophobicContact CG-CD2 4.42Å; E238-F282 PolarHBondContact OE2-N 3.15Å; E238-F282 VanDerWaalsContact OE2-N 3.09Å; V241-F282 HydrophobicContact CB-CE2 4.39Å; V241-F282 HydrophobicContact CG2-CE2 3.7Å; V241-F282 HydrophobicContact CG2-CZ 4.11Å; V265-F282 HydrophobicContact CB-CZ 4.46Å; V265-F282 HydrophobicContact CG2-CZ 4.13Å; C275-F282 HydrophobicContact CB-CB 4.49Å; C275-F282 HydrophobicContact CB-CD1 4.13Å; I276-F282 WeakPolarHBondContact O-CA 3.49Å; Y277-F282 AromaticContact CD2-CD1 3.97Å; Y277-F282 HydrophobicContact CD2-CD1 3.97Å; Y277-F282 AromaticContact CD2-CD2 3.78Å; Y277-F282 HydrophobicContact CD2-CD2 3.78Å; Y277-F282 AromaticContact CD2-CE1 3.83Å; Y277-F282 HydrophobicContact CD2-CE1 3.83Å; Y277-F282 AromaticContact CD2-CE2 3.63Å; Y277-F282 HydrophobicContact CD2-CE2 3.63Å; Y277-F282 AromaticContact CD2-CG 3.96Å; Y277-F282 HydrophobicContact CD2-CG 3.96Å; Y277-F282 AromaticContact CD2-CZ 3.68Å; Y277-F282 HydrophobicContact CD2-CZ 3.68Å; Y277-F282 HydrophobicContact CE2-CD2 4.24Å; Y277-F282 AromaticContact CE2-CE2 3.97Å; Y277-F282 HydrophobicContact CE2-CE2 3.97Å; Y277-F282 HydrophobicContact CE2-CZ 4.32Å; Y277-F282 HydrophobicContact CG-CD1 4.48Å; Y277-F282 HydrophobicContact CG-CE1 4.23Å; Y277-F282 HydrophobicContact CG-CZ 4.36Å
283	A	69.9	Low	58.4	Low	52 Å²	52	82.5 Å²	82.5	43%	0.43	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.8	174.5	0	0	0	0	0	110.9	C275 I276	C275-A283 CarbonylContact C-O 3.58Å; C275-A283 WeakPolarHBondContact CA-O 3.15Å; I276-A283 PolarHBondContact N-O 2.82Å; I276-A283 PolarHBondContact O-N 3.18Å
284	A	68.7	Low	57.1	Low	28 Å²	28	83 Å²	83	23%	0.231	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.8	172.2	0	0	0	0	0	110.9	R230 I231 C234 E274 E286	R230-A284 HydrophobicContact CB-CB 4.12Å; I231-A284 HydrophobicContact CG1-CB 4.06Å; C234-A284 VanDerWaalsContact SG-CA 3.55Å; E274-A284 CarbonylContact O-C 3.33Å; A284-E286 PolarHBondContact O-N 3.45Å
285	R	67.1	Low	55.4	Low	122 Å²	122	85.3 Å²	85.3	46%	0.46	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.4	126.5	167	-72.5	-172.5	-178	-160.2	0.4	108.7	P273 E274 I276 Y287	P273-R285 WeakPolarHBondContact O-CD 3.46Å; P273-R285 PolarHBondContact O-NE 2.93Å; E274-R285 WeakPolarHBondContact O-CB 3.39Å; E274-R285 WeakPolarHBondContact O-CG 3.48Å; E274-R285 PolarHBondContact O-N 2.92Å; I276-R285 HydrophobicContact CD1-CG 3.52Å; I276-R285 HydrophobicContact CG1-CG 3.38Å; R285-Y287 HydrophobicContact CB-CD2 4.03Å; R285-Y287 HydrophobicContact CB-CE2 3.52Å; R285-Y287 VanDerWaalsContact O-CD2 3.23Å; R285-Y287 WeakPolarHBondContact O-CD2 3.48Å
286	E	62.3	Low	53.5	Low	137 Å²	137	90.2 Å²	90.2	64%	0.64	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-78.6	120.9	166.7	-63.3	-165.6	144.9	0	0	108.6	R227 A284	R227-E286 IonicContact CZ-OE1 3.64Å; R227-E286 IonicContact NH2-OE1 3.88Å; R227-E286 PolarHBondContact NH2-OE1 3.4Å; A284-E286 PolarHBondContact O-N 3.45Å
287	Y	52.5	Low	51.6	Low	96 Å²	96	92.3 Å²	92.3	38%	0.376	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-102.5	135.5	175.6	-67.1	-105	0	0	0	108.5	R285 T289 D290	R285-Y287 HydrophobicContact CB-CD2 4.03Å; R285-Y287 HydrophobicContact CB-CE2 3.52Å; R285-Y287 VanDerWaalsContact O-CD2 3.23Å; R285-Y287 WeakPolarHBondContact O-CD2 3.48Å; Y287-T289 PolarHBondContact O-N 3.39Å; Y287-D290 PolarHBondContact N-OD2 3.03Å; Y287-D290 WeakPolarHBondContact O-CB 3.33Å; Y287-D290 PolarHBondContact O-N 3.43Å
288	K	45.8	Very low	50.1	Low	211 Å²	211	94.4 Å²	94.4	92%	0.917	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-54.1	-27	176.6	-75.7	-173.1	176.8	-177.2	0	113.2	D290	K288-D290 PolarHBondContact O-N 3.25Å
289	T	46.7	Very low	48.3	Very low	123 Å²	123	93.9 Å²	93.9	76%	0.755	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-77.1	-1.4	179.9	46.9	0	0	0	0	114.4	Y287 G291	Y287-T289 PolarHBondContact O-N 3.39Å; T289-G291 PolarHBondContact O-N 3.3Å; T289-G291 VanDerWaalsContact O-N 3.11Å
290	D	47.4	Very low	46.4	Very low	18 Å²	18	91.3 Å²	91.3	10%	0.096	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-74.8	6	177.9	-66	-37.9	0	0	0	113.9	R230 Y287 K288 F292	R230-D290 IonicContact CZ-OD1 3.97Å; R230-D290 VanDerWaalsContact CZ-OD1 3.27Å; R230-D290 IonicContact CZ-OD2 3.18Å; R230-D290 IonicContact NH1-OD1 2.76Å; R230-D290 PolarHBondContact NH1-OD1 2.95Å; R230-D290 IonicContact NH1-OD2 2.82Å; R230-D290 PolarHBondContact NH1-OD2 2.99Å; R230-D290 IonicContact NH2-OD1 3.51Å; R230-D290 PolarHBondContact NH2-OD1 3.45Å; R230-D290 IonicContact NH2-OD2 3.83Å; R230-D290 PolarHBondContact NH2-OD2 3.11Å; Y287-D290 PolarHBondContact N-OD2 3.03Å; Y287-D290 WeakPolarHBondContact O-CB 3.33Å; Y287-D290 PolarHBondContact O-N 3.43Å; K288-D290 PolarHBondContact O-N 3.25Å; D290-F292 PolarHBondContact O-N 3.35Å
291	G	37.4	Very low	44.6	Very low	66 Å²	66	93.5 Å²	93.5	68%	0.68	49%	0.492	S	S	*	.	S	Bend	trans	74.4	5.6	174.9	0	0	0	0	0	114	T289	T289-G291 PolarHBondContact O-N 3.3Å; T289-G291 VanDerWaalsContact O-N 3.11Å
292	F	38.2	Very low	42.7	Very low	90 Å²	90	93.2 Å²	93.2	40%	0.395	50%	0.498	S	S	.	.			trans	-112.5	109.1	172.1	-78.2	-83.7	0	0	0	109	F224 D290	F224-F292 HydrophobicContact CE1-CE2 4.01Å; F224-F292 AromaticContact CE1-CZ 3.98Å; F224-F292 HydrophobicContact CE1-CZ 3.98Å; F224-F292 HydrophobicContact CE2-CE2 4.17Å; F224-F292 HydrophobicContact CE2-CZ 4.25Å; F224-F292 AromaticContact CZ-CE2 3.74Å; F224-F292 HydrophobicContact CZ-CE2 3.74Å; F224-F292 AromaticContact CZ-CZ 3.53Å; F224-F292 HydrophobicContact CZ-CZ 3.53Å; D290-F292 PolarHBondContact O-N 3.35Å
293	S	34.3	Very low	41	Very low	63 Å²	63	100.4 Å²	100.4	44%	0.441	53%	0.531	S	S	.	.			trans	-51.5	141.8	142.8	39.4	0	0	0	0	109.1	Q297	S293-Q297 PolarHBondContact OG-OE1 2.88Å
294	S	30	Very low	39.1	Very low	60 Å²	60	105.7 Å²	105.7	42%	0.42	55%	0.553	S	S	.	*			trans	-33.5	146.2	-179.6	169.2	0	0	0	0	113.7	L296 Q297	S294-L296 PolarHBondContact O-N 3.06Å; S294-L296 WeakPolarHBondContact OG-CB 3.38Å; S294-L296 PolarHBondContact OG-N 3.35Å; S294-L296 VanDerWaalsContact OG-N 3.14Å; S294-Q297 PolarHBondContact O-N 3.34Å
295	P	28.4	Very low	37.2	Very low	71 Å²	71	117 Å²	117	46%	0.461	60%	0.603	S	S	.	*	H	α-helix	trans	-48.6	-25.8	169.6	-24.3	32	0	0	0	113.3	Q297 I298 F299	P295-Q297 VanDerWaalsContact C-N 3.26Å; P295-Q297 PolarHBondContact O-N 2.77Å; P295-I298 WeakPolarHBondContact O-CB 3.39Å; P295-I298 PolarHBondContact O-N 2.91Å; P295-F299 WeakPolarHBondContact O-CD2 3.46Å; P295-F299 PolarHBondContact O-N 3.14Å
296	L	26.9	Very low	35.7	Very low	108 Å²	108	116.7 Å²	116.7	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-62.7	-26.8	173.3	-76.5	161.7	0	0	0	113.6	S294 I298 F299 F300	S294-L296 PolarHBondContact O-N 3.06Å; S294-L296 WeakPolarHBondContact OG-CB 3.38Å; S294-L296 PolarHBondContact OG-N 3.35Å; S294-L296 VanDerWaalsContact OG-N 3.14Å; L296-I298 VanDerWaalsContact C-N 3.33Å; L296-F299 PolarHBondContact O-N 3.02Å; L296-F300 HydrophobicContact CB-CD2 4.49Å; L296-F300 HydrophobicContact CD2-CD2 3.75Å; L296-F300 HydrophobicContact CD2-CE2 3.68Å; L296-F300 WeakPolarHBondContact O-CA 3.35Å; L296-F300 VanDerWaalsContact O-CB 3.26Å; L296-F300 WeakPolarHBondContact O-CB 3.39Å; L296-F300 WeakPolarHBondContact O-CD2 3.44Å; L296-F300 PolarHBondContact O-N 2.72Å
297	Q	29.2	Very low	34.3	Very low	94 Å²	94	115.6 Å²	115.6	44%	0.439	61%	0.609	S	S	.	*	H	α-helix	trans	-77.2	-19.6	172.7	-73.1	-164.2	-5.4	0	0	113.4	S293 S294 P295 F299 F300 V302	S293-Q297 PolarHBondContact OG-OE1 2.88Å; S294-Q297 PolarHBondContact O-N 3.34Å; P295-Q297 VanDerWaalsContact C-N 3.26Å; P295-Q297 PolarHBondContact O-N 2.77Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F300 WeakPolarHBondContact CA-O 3.26Å; Q297-F300 CarbonylContact O-C 3.45Å; Q297-V302 HydrophobicContact CG-CG2 3.94Å
298	I	30.8	Very low	33.2	Very low	115 Å²	115	116.7 Å²	116.7	59%	0.59	62%	0.622	S	S	*	*	H	α-helix	trans	-70.6	-37.7	171.1	-56.5	176.3	0	0	0	109.5	P295 L296	P295-I298 WeakPolarHBondContact O-CB 3.39Å; P295-I298 PolarHBondContact O-N 2.91Å; L296-I298 VanDerWaalsContact C-N 3.33Å
299	F	29	Very low	32.5	Very low	161 Å²	161	111.2 Å²	111.2	71%	0.706	61%	0.605	S	S	*	*	H	α-helix	trans	-90.8	-25.6	179.3	-68.4	-72.1	0	0	0	114.3	P295 L296 Q297	P295-F299 WeakPolarHBondContact O-CD2 3.46Å; P295-F299 PolarHBondContact O-N 3.14Å; L296-F299 PolarHBondContact O-N 3.02Å; Q297-F299 VanDerWaalsContact C-N 3.34Å
300	F	28.2	Very low	31.6	Very low	143 Å²	143	110.4 Å²	110.4	63%	0.627	60%	0.595	S	S	*	*	S	Bend	trans	-126.2	79.9	176.5	-57	-78.4	0	0	0	108	L296 Q297 V302	L296-F300 HydrophobicContact CB-CD2 4.49Å; L296-F300 HydrophobicContact CD2-CD2 3.75Å; L296-F300 HydrophobicContact CD2-CE2 3.68Å; L296-F300 WeakPolarHBondContact O-CA 3.35Å; L296-F300 VanDerWaalsContact O-CB 3.26Å; L296-F300 WeakPolarHBondContact O-CB 3.39Å; L296-F300 WeakPolarHBondContact O-CD2 3.44Å; L296-F300 PolarHBondContact O-N 2.72Å; Q297-F300 WeakPolarHBondContact CA-O 3.26Å; Q297-F300 CarbonylContact O-C 3.45Å; F300-V302 PolarHBondContact O-N 3.43Å
301	P	26	Very low	30.6	Very low	84 Å²	84	116.6 Å²	116.6	55%	0.545	63%	0.628	S	S	.	*			trans	-52.5	120	167.4	21.6	-30.8	0	0	0	107.2	H303	P301-H303 VanDerWaalsContact C-N 3.31Å; P301-H303 PolarHBondContact O-N 2.82Å
302	V	29.7	Very low	30.1	Very low	104 Å²	104	120.2 Å²	120.2	63%	0.63	63%	0.625	S	S	*	*			trans	-63.8	99.1	178.3	-171.3	0	0	0	0	105.9	Q297 F300 N304	Q297-V302 HydrophobicContact CG-CG2 3.94Å; F300-V302 PolarHBondContact O-N 3.43Å; V302-N304 PolarHBondContact O-N 3.14Å
303	H	32.6	Very low	29.5	Very low	162 Å²	162	122.5 Å²	122.5	75%	0.75	64%	0.642	S	S	*	*			trans	-66.2	125.5	169.5	-81.7	-42.9	0	0	0	107.6	P301 M305	P301-H303 VanDerWaalsContact C-N 3.31Å; P301-H303 PolarHBondContact O-N 2.82Å; H303-M305 PolarHBondContact O-N 3.35Å; H303-M305 VanDerWaalsContact O-N 3.14Å
304	N	29	Very low	29.1	Very low	164 Å²	164	127.5 Å²	127.5	88%	0.877	66%	0.659	S	S	*	*			trans	-37.2	116.2	173.7	-66.4	-26.7	0	0	0	111.5	V302	V302-N304 PolarHBondContact O-N 3.14Å
305	M	29	Very low	29	Very low	264 Å²	264	133.6 Å²	133.6	100%	1.3	68%	0.681	S	S	*	*			trans	-138.4	0	156.7	-75.4	-167.7	172.9	0	0	108.1	H303	H303-M305 PolarHBondContact O-N 3.35Å; H303-M305 VanDerWaalsContact O-N 3.14Å

Retrieved 305 of 305 residues in 661.4 ms (Link to these results)

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