A0A077YZP4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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	37.6	Very low	33.5	Very low	240 Å²	240	172.2 Å²	172.2	100%	1.182	85%	0.852	S	S	*	*				0	109	0	-82.4	-69.3	-178.7	0	0	107.5
2	D	35.1	Very low	33.9	Very low	135 Å²	135	167.6 Å²	167.6	72%	0.722	84%	0.841	S	S	*	*			trans	-64.9	130.9	-168.3	-79.1	-55	0	0	0	114.2	R4	D2-R4 HydrophobicContact CB-CG 4.06Å; D2-R4 PolarHBondContact O-N 2.88Å
3	I	39.3	Very low	33.9	Very low	179 Å²	179	166 Å²	166	92%	0.918	84%	0.837	S	S	*	*			trans	-75.3	75.6	164.6	-52.8	173.4	0	0	0	107.3
4	R	32.6	Very low	33.5	Very low	206 Å²	206	159.7 Å²	159.7	78%	0.777	83%	0.834	S	S	*	*			trans	-70.7	132.2	165.9	-67.5	-179.1	-172.7	177.4	2.7	108.5	D2	D2-R4 HydrophobicContact CB-CG 4.06Å; D2-R4 PolarHBondContact O-N 2.88Å
5	C	32.7	Very low	33.4	Very low	106 Å²	106	160.7 Å²	160.7	72%	0.716	83%	0.832	S	S	*	*			trans	130.6	113.8	138.9	-70.5	0	0	0	0	114.7
6	R	31.6	Very low	33.3	Very low	239 Å²	239	158.6 Å²	158.6	90%	0.902	83%	0.829	S	S	*	*			trans	76.9	94.3	137.6	-66.5	176.2	178.8	-179.5	-0.3	117.2
7	A	32.1	Very low	33.6	Very low	101 Å²	101	156.2 Å²	156.2	84%	0.835	82%	0.823	S	S	*	*				171.9	121.6	88.7	0	0	0	0	0	109.1
8	R	31.6	Very low	33.8	Very low	233 Å²	233	152.4 Å²	152.4	88%	0.879	81%	0.811	S	S	*	*			trans	-69.1	156.5	171.4	-64.2	170.1	176.3	178.9	-2.9	109.8
9	Q	31.9	Very low	33.7	Very low	192 Å²	192	146.1 Å²	146.1	90%	0.897	79%	0.786	S	S	*	*			trans	94.9	136.1	159	-54.3	170.3	0.9	0	0	115.9
10	S	33	Very low	33.6	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	78%	0.775	S	S	*	*			cis	-153.9	132.3	-12.9	173	0	0	0	0	106.3	T12	S10-T12 PolarHBondContact O-N 3.14Å
11	L	30.4	Very low	33.8	Very low	169 Å²	169	138 Å²	138	89%	0.885	76%	0.757	S	S	*	*			trans	-57.9	103.7	167.5	-78.9	127.3	0	0	0	109.3
12	T	38.5	Very low	33.6	Very low	117 Å²	117	132 Å²	132	72%	0.718	73%	0.726	S	S	*	*			trans	-131.1	92.3	165.3	53.2	0	0	0	0	109.1	S10 G14	S10-T12 PolarHBondContact O-N 3.14Å; T12-G14 PolarHBondContact O-N 3Å; T12-G14 VanDerWaalsContact O-N 3.14Å
13	N	34	Very low	33.5	Very low	147 Å²	147	135 Å²	135	79%	0.786	73%	0.727	S	S	*	*			trans	-53	119.1	169.8	-72.4	-19.8	0	0	0	109.2	H15	N13-H15 PolarHBondContact O-N 3.03Å
14	G	28.9	Very low	33.7	Very low	78 Å²	78	129.6 Å²	129.6	80%	0.804	70%	0.702	S	S	*	*			trans	-54.4	106	-175.5	0	0	0	0	0	113	T12	T12-G14 PolarHBondContact O-N 3Å; T12-G14 VanDerWaalsContact O-N 3.14Å
15	H	31.2	Very low	33.8	Very low	174 Å²	174	127.4 Å²	127.4	81%	0.806	69%	0.694	S	S	*	*			trans	-93.7	117	162.5	-99	55.2	0	0	0	109.4	N13 T17	N13-H15 PolarHBondContact O-N 3.03Å; H15-T17 PolarHBondContact O-N 3.04Å
16	T	32.3	Very low	33.9	Very low	128 Å²	128	127 Å²	127	79%	0.785	68%	0.681	S	S	*	*			trans	-60.8	98.3	177.7	49.9	0	0	0	0	111.6	S18	T16-S18 PolarHBondContact O-N 3.03Å
17	T	38.3	Very low	34.2	Very low	117 Å²	117	116.9 Å²	116.9	72%	0.718	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	6.4	174.5	47.8	0	0	0	0	113.9	H15 G19	H15-T17 PolarHBondContact O-N 3.04Å; T17-G19 PolarHBondContact O-N 3.32Å
18	S	36.6	Very low	34.7	Very low	88 Å²	88	116.9 Å²	116.9	62%	0.615	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-32.9	-176.5	63.8	0	0	0	0	113.7	T16 Q22	T16-S18 PolarHBondContact O-N 3.03Å; S18-Q22 PolarHBondContact O-N 3.44Å
19	G	32.9	Very low	35.4	Very low	33 Å²	33	107.4 Å²	107.4	34%	0.34	60%	0.597	S	S	.	*	H	α-helix	trans	-75.7	-37.3	-177.9	0	0	0	0	0	114.7	T17 Q22 R23	T17-G19 PolarHBondContact O-N 3.32Å; G19-Q22 PolarHBondContact O-N 3.48Å; G19-R23 WeakPolarHBondContact O-CG 3.36Å; G19-R23 PolarHBondContact O-N 2.89Å; G19-R23 VanDerWaalsContact O-N 3.15Å
20	A	32	Very low	36.1	Very low	68 Å²	68	101 Å²	101	56%	0.562	57%	0.569	S	S	*	*	H	α-helix	trans	-70.1	-34.6	180	0	0	0	0	0	112.1	T24	A20-T24 PolarHBondContact O-N 2.81Å; A20-T24 VanDerWaalsContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 3.17Å
21	S	36.2	Very low	36.8	Very low	55 Å²	55	98.5 Å²	98.5	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-69.5	-34.6	177.2	-170.3	0	0	0	0	112.8	T24 R25	S21-T24 WeakPolarHBondContact CA-OG1 3.46Å; S21-T24 PolarHBondContact O-OG1 3.45Å; S21-T24 VanDerWaalsContact O-OG1 3.11Å; S21-R25 VanDerWaalsContact O-CG 3.28Å; S21-R25 WeakPolarHBondContact O-CG 3.43Å; S21-R25 PolarHBondContact O-N 3.15Å
22	Q	33.5	Very low	37.9	Very low	113 Å²	113	92.3 Å²	92.3	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-72.5	-43	173.6	-93.5	-177.7	-9.1	0	0	112.7	S18 G19 T24 R25 Q26	S18-Q22 PolarHBondContact O-N 3.44Å; G19-Q22 PolarHBondContact O-N 3.48Å; Q22-T24 VanDerWaalsContact C-N 3.33Å; Q22-T24 PolarHBondContact O-N 2.67Å; Q22-R25 PolarHBondContact O-N 3.08Å; Q22-Q26 PolarHBondContact O-N 3.37Å
23	R	33.3	Very low	38.5	Very low	199 Å²	199	89.8 Å²	89.8	75%	0.751	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-40.1	177.6	-73.5	-177.7	-169.9	170.1	4	112.2	G19 G27	G19-R23 WeakPolarHBondContact O-CG 3.36Å; G19-R23 PolarHBondContact O-N 2.89Å; G19-R23 VanDerWaalsContact O-N 3.15Å; R23-G27 PolarHBondContact O-N 2.79Å
24	T	44	Very low	39.5	Very low	65 Å²	65	84 Å²	84	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-48.1	174	28.8	0	0	0	0	111	A20 S21 Q22 Q26 G27 Y28	A20-T24 PolarHBondContact O-N 2.81Å; A20-T24 VanDerWaalsContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 3.17Å; S21-T24 WeakPolarHBondContact CA-OG1 3.46Å; S21-T24 PolarHBondContact O-OG1 3.45Å; S21-T24 VanDerWaalsContact O-OG1 3.11Å; Q22-T24 VanDerWaalsContact C-N 3.33Å; Q22-T24 PolarHBondContact O-N 2.67Å; T24-Q26 PolarHBondContact O-N 3.48Å; T24-G27 PolarHBondContact O-N 2.82Å; T24-G27 VanDerWaalsContact O-N 3.17Å; T24-Y28 HydrophobicContact CG2-CE2 4.22Å; T24-Y28 WeakPolarHBondContact O-CD2 3.28Å; T24-Y28 PolarHBondContact O-N 3.45Å
25	R	34.4	Very low	40.8	Very low	159 Å²	159	80.9 Å²	80.9	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-58.6	-43.3	177.9	-74.6	179.7	-170.4	-163.4	5.1	113.5	S21 Q22 L29	S21-R25 VanDerWaalsContact O-CG 3.28Å; S21-R25 WeakPolarHBondContact O-CG 3.43Å; S21-R25 PolarHBondContact O-N 3.15Å; Q22-R25 PolarHBondContact O-N 3.08Å; R25-L29 PolarHBondContact O-N 3.21Å
26	Q	35.7	Very low	42	Very low	97 Å²	97	73.2 Å²	73.2	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-38.6	176	-74.3	178.8	-15.5	0	0	112.2	Q22 T24 L29 L30	Q22-Q26 PolarHBondContact O-N 3.37Å; T24-Q26 PolarHBondContact O-N 3.48Å; Q26-L29 PolarHBondContact O-N 3.06Å; Q26-L30 PolarHBondContact O-N 3.3Å
27	G	37.7	Very low	43.3	Very low	27 Å²	27	69.6 Å²	69.6	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.6	0	0	0	0	0	112.9	R23 T24 L29 L30 I31	R23-G27 PolarHBondContact O-N 2.79Å; T24-G27 PolarHBondContact O-N 2.82Å; T24-G27 VanDerWaalsContact O-N 3.17Å; G27-L29 PolarHBondContact O-N 2.95Å; G27-L30 PolarHBondContact O-N 3.39Å; G27-I31 WeakPolarHBondContact O-CB 3.45Å; G27-I31 WeakPolarHBondContact O-CD1 2.9Å; G27-I31 VanDerWaalsContact O-CG1 3.23Å; G27-I31 WeakPolarHBondContact O-CG1 3.23Å; G27-I31 PolarHBondContact O-N 3.25Å; G27-I31 VanDerWaalsContact O-N 3.12Å
28	Y	42	Very low	44.3	Very low	102 Å²	102	65.3 Å²	65.3	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176.8	-70.9	-65.8	0	0	0	112.5	T24 I31 D32	T24-Y28 HydrophobicContact CG2-CE2 4.22Å; T24-Y28 WeakPolarHBondContact O-CD2 3.28Å; T24-Y28 PolarHBondContact O-N 3.45Å; Y28-I31 PolarHBondContact O-N 3.17Å; Y28-D32 PolarHBondContact O-N 3.19Å
29	L	46	Very low	45.3	Very low	33 Å²	33	65.8 Å²	65.8	17%	0.173	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-43.2	178.7	-165.4	82.6	0	0	0	112.5	R25 Q26 G27 D32 R33 E70 L75	R25-L29 PolarHBondContact O-N 3.21Å; Q26-L29 PolarHBondContact O-N 3.06Å; G27-L29 PolarHBondContact O-N 2.95Å; L29-D32 PolarHBondContact O-N 3.11Å; L29-R33 PolarHBondContact O-N 3Å; L29-R33 VanDerWaalsContact O-N 3.11Å; L29-E70 HydrophobicContact CD1-CG 3.98Å; L29-L75 HydrophobicContact CD1-CB 4.01Å; L29-L75 HydrophobicContact CD1-CD1 3.4Å; L29-L75 HydrophobicContact CD1-CG 4.18Å
30	L	46.2	Very low	46.4	Very low	58 Å²	58	64.3 Å²	64.3	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-68.5	-39	179.3	-71.5	172	0	0	0	112.1	Q26 G27 R33 S34	Q26-L30 PolarHBondContact O-N 3.3Å; G27-L30 PolarHBondContact O-N 3.39Å; L30-R33 PolarHBondContact O-N 3.44Å; L30-S34 WeakPolarHBondContact O-CB 3.49Å; L30-S34 PolarHBondContact O-N 3.48Å; L30-S34 PolarHBondContact O-OG 3.12Å
31	I	48.9	Very low	47.6	Very low	42 Å²	42	64.2 Å²	64.2	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-51.2	173.2	-76.5	171.5	0	0	0	109.2	G27 Y28 R33 S34 T35 P104 M109	G27-I31 WeakPolarHBondContact O-CB 3.45Å; G27-I31 WeakPolarHBondContact O-CD1 2.9Å; G27-I31 VanDerWaalsContact O-CG1 3.23Å; G27-I31 WeakPolarHBondContact O-CG1 3.23Å; G27-I31 PolarHBondContact O-N 3.25Å; G27-I31 VanDerWaalsContact O-N 3.12Å; Y28-I31 PolarHBondContact O-N 3.17Å; I31-R33 PolarHBondContact O-N 3.37Å; I31-S34 PolarHBondContact O-N 2.96Å; I31-S34 VanDerWaalsContact O-N 3.1Å; I31-S34 PolarHBondContact O-OG 3.43Å; I31-T35 PolarHBondContact O-N 3.2Å; I31-T35 PolarHBondContact O-OG1 3.35Å; I31-P104 HydrophobicContact CB-CG 4.08Å; I31-P104 HydrophobicContact CG1-CB 4.4Å; I31-P104 HydrophobicContact CG1-CG 4.44Å; I31-P104 HydrophobicContact CG2-CB 3.78Å; I31-P104 HydrophobicContact CG2-CG 3.21Å; I31-M109 HydrophobicContact CD1-CE 4.32Å
32	D	52.7	Low	48.6	Very low	38 Å²	38	63.5 Å²	63.5	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-39.7	-178.9	-82.6	-36.9	0	0	0	113.8	Y28 L29 T35 A36 R161	Y28-D32 PolarHBondContact O-N 3.19Å; L29-D32 PolarHBondContact O-N 3.11Å; D32-T35 PolarHBondContact O-N 3.05Å; D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 2.81Å; D32-R161 IonicContact OD1-CZ 2.74Å; D32-R161 IonicContact OD1-NH2 3.96Å; D32-R161 PolarHBondContact OD1-NH2 3.41Å; D32-R161 IonicContact OD2-NH2 3.85Å
33	R	51.8	Low	49.7	Very low	65 Å²	65	59.9 Å²	59.9	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-41.4	172.9	-75.8	-174.1	176.6	-178.8	0.5	112.3	L29 L30 I31 T35 A36 L37 Q66 E70	L29-R33 PolarHBondContact O-N 3Å; L29-R33 VanDerWaalsContact O-N 3.11Å; L30-R33 PolarHBondContact O-N 3.44Å; I31-R33 PolarHBondContact O-N 3.37Å; R33-T35 VanDerWaalsContact C-N 3.35Å; R33-A36 PolarHBondContact O-N 3.16Å; R33-L37 WeakPolarHBondContact O-CB 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.42Å; R33-L37 PolarHBondContact O-N 3.39Å; R33-Q66 HydrophobicContact CG-CG 4.09Å; R33-E70 WeakPolarHBondContact CD-OE1 3.47Å; R33-E70 WeakPolarHBondContact CG-OE1 3.24Å; R33-E70 IonicContact CZ-OE1 3.34Å; R33-E70 IonicContact CZ-OE2 3.51Å; R33-E70 IonicContact NE-OE1 3.21Å; R33-E70 PolarHBondContact NE-OE1 3.33Å; R33-E70 IonicContact NE-OE2 3.75Å; R33-E70 PolarHBondContact NE-OE2 2.83Å; R33-E70 IonicContact NH2-OE1 2.66Å; R33-E70 IonicContact NH2-OE2 3.65Å; R33-E70 PolarHBondContact NH2-OE2 2.93Å
34	S	54.1	Low	50.4	Low	24 Å²	24	53.8 Å²	53.8	17%	0.168	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-37	178.6	74.2	0	0	0	0	112	L30 I31 S38	L30-S34 WeakPolarHBondContact O-CB 3.49Å; L30-S34 PolarHBondContact O-N 3.48Å; L30-S34 PolarHBondContact O-OG 3.12Å; I31-S34 PolarHBondContact O-N 2.96Å; I31-S34 VanDerWaalsContact O-N 3.1Å; I31-S34 PolarHBondContact O-OG 3.43Å; S34-S38 WeakPolarHBondContact O-CB 3.27Å; S34-S38 PolarHBondContact O-N 3.03Å; S34-S38 PolarHBondContact O-OG 3.11Å
35	T	57.5	Low	50.8	Low	13 Å²	13	58.7 Å²	58.7	8%	0.08	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-50.5	173.6	-43.5	0	0	0	0	110.7	I31 D32 R33 L37 S38 E39 A103 P104	I31-T35 PolarHBondContact O-N 3.2Å; I31-T35 PolarHBondContact O-OG1 3.35Å; D32-T35 PolarHBondContact O-N 3.05Å; R33-T35 VanDerWaalsContact C-N 3.35Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact O-N 3.28Å; T35-S38 CarbonylContact O-C 3.58Å; T35-S38 WeakPolarHBondContact O-CB 3.26Å; T35-S38 PolarHBondContact O-N 2.71Å; T35-E39 HydrophobicContact CG2-CG 4.36Å; T35-E39 WeakPolarHBondContact CG2-OE1 3.33Å; T35-E39 WeakPolarHBondContact O-CB 3.45Å; T35-E39 WeakPolarHBondContact O-CG 3.24Å; T35-E39 PolarHBondContact O-N 2.87Å; T35-A103 HydrophobicContact CG2-CB 4.01Å; T35-P104 WeakPolarHBondContact OG1-CD 3.48Å; T35-P104 VanDerWaalsContact OG1-CG 3.27Å; T35-P104 WeakPolarHBondContact OG1-CG 3.45Å
36	A	55.7	Low	51.6	Low	13 Å²	13	51.5 Å²	51.5	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-41.1	-179.3	0	0	0	0	0	112	D32 R33 A40 Q66	D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 2.81Å; R33-A36 PolarHBondContact O-N 3.16Å; A36-A40 VanDerWaalsContact O-CB 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 2.97Å; A36-Q66 HydrophobicContact CB-CB 4.32Å; A36-Q66 HydrophobicContact CB-CG 4.12Å
37	L	59.4	Low	52.4	Low	53 Å²	53	51.7 Å²	51.7	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-42.6	172.9	-84.4	176	0	0	0	112.5	R33 T35 A40 L41 V59 L63	R33-L37 WeakPolarHBondContact O-CB 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.42Å; R33-L37 PolarHBondContact O-N 3.39Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact O-N 3.28Å; L37-A40 WeakPolarHBondContact O-CB 3.43Å; L37-A40 PolarHBondContact O-N 3.18Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.26Å; L37-V59 HydrophobicContact CD2-CG1 3.79Å; L37-L63 HydrophobicContact CD1-CD2 4.06Å; L37-L63 HydrophobicContact CD2-CD1 3.95Å; L37-L63 HydrophobicContact CD2-CD2 3.48Å; L37-L63 VanDerWaalsContact CD2-CD2 3.48Å; L37-L63 HydrophobicContact CD2-CG 3.66Å; L37-L63 HydrophobicContact CG-CD2 3.68Å; L37-L63 HydrophobicContact CG-CG 4.42Å
38	S	59.1	Low	53.2	Low	27 Å²	27	55.4 Å²	55.4	19%	0.189	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-48.5	179.9	-62.9	0	0	0	0	109.6	S34 T35 A40 L41 A42 A101	S34-S38 WeakPolarHBondContact O-CB 3.27Å; S34-S38 PolarHBondContact O-N 3.03Å; S34-S38 PolarHBondContact O-OG 3.11Å; T35-S38 CarbonylContact O-C 3.58Å; T35-S38 WeakPolarHBondContact O-CB 3.26Å; T35-S38 PolarHBondContact O-N 2.71Å; S38-A40 VanDerWaalsContact C-N 3.29Å; S38-A40 PolarHBondContact O-N 2.91Å; S38-L41 CarbonylContact O-C 3.58Å; S38-L41 PolarHBondContact O-N 3.2Å; S38-L41 VanDerWaalsContact O-N 3.11Å; S38-A42 WeakPolarHBondContact O-CB 3.48Å; S38-A42 PolarHBondContact O-N 2.71Å; S38-A101 VanDerWaalsContact CB-CB 3.41Å; S38-A101 WeakPolarHBondContact O-CB 3.46Å
39	E	57.6	Low	53.8	Low	97 Å²	97	52 Å²	52	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-38.4	175.1	-73.3	174.6	-175.2	0	0	112.2	T35 A42 S43	T35-E39 HydrophobicContact CG2-CG 4.36Å; T35-E39 WeakPolarHBondContact CG2-OE1 3.33Å; T35-E39 WeakPolarHBondContact O-CB 3.45Å; T35-E39 WeakPolarHBondContact O-CG 3.24Å; T35-E39 PolarHBondContact O-N 2.87Å; E39-A42 CarbonylContact O-C 3.6Å; E39-A42 PolarHBondContact O-N 3.32Å; E39-S43 PolarHBondContact O-N 3.23Å
40	A	57.1	Low	54.3	Low	2 Å²	2	56.3 Å²	56.3	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-49.9	172.2	0	0	0	0	0	111.1	A36 L37 S38 A42 S43 L46 Q62	A36-A40 VanDerWaalsContact O-CB 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 2.97Å; L37-A40 WeakPolarHBondContact O-CB 3.43Å; L37-A40 PolarHBondContact O-N 3.18Å; S38-A40 VanDerWaalsContact C-N 3.29Å; S38-A40 PolarHBondContact O-N 2.91Å; A40-A42 VanDerWaalsContact C-N 3.31Å; A40-A42 PolarHBondContact O-N 3.41Å; A40-S43 WeakPolarHBondContact O-CB 3.37Å; A40-S43 PolarHBondContact O-N 3.01Å; A40-S43 VanDerWaalsContact O-N 3.11Å; A40-L46 WeakPolarHBondContact O-CD1 3.3Å; A40-Q62 HydrophobicContact CB-CB 3.75Å; A40-Q62 HydrophobicContact CB-CG 3.62Å
41	L	57.3	Low	54.6	Low	66 Å²	66	60 Å²	60	35%	0.346	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-33.7	178.9	-70.5	171.7	0	0	0	113.1	L37 S38 S43 L46 V59	L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.26Å; S38-L41 CarbonylContact O-C 3.58Å; S38-L41 PolarHBondContact O-N 3.2Å; S38-L41 VanDerWaalsContact O-N 3.11Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-L46 HydrophobicContact CD2-CD2 4.14Å; L41-V59 HydrophobicContact CD2-CG2 4.01Å
42	A	56.9	Low	55	Low	41 Å²	41	61 Å²	61	34%	0.339	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.6	175.7	0	0	0	0	0	113.5	S38 E39 A40 A44 A101	S38-A42 WeakPolarHBondContact O-CB 3.48Å; S38-A42 PolarHBondContact O-N 2.71Å; E39-A42 CarbonylContact O-C 3.6Å; E39-A42 PolarHBondContact O-N 3.32Å; A40-A42 VanDerWaalsContact C-N 3.31Å; A40-A42 PolarHBondContact O-N 3.41Å; A42-A44 PolarHBondContact O-N 3.48Å; A42-A101 HydrophobicContact CB-CB 3.64Å
43	S	56.9	Low	55	Low	36 Å²	36	64 Å²	64	25%	0.252	37%	0.366	S	S	.	.	S	Bend	trans	-61.4	132	175.8	-174.2	0	0	0	0	109	E39 A40 L41 R45 L46	E39-S43 PolarHBondContact O-N 3.23Å; A40-S43 WeakPolarHBondContact O-CB 3.37Å; A40-S43 PolarHBondContact O-N 3.01Å; A40-S43 VanDerWaalsContact O-N 3.11Å; L41-S43 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 3.44Å; S43-R45 PolarHBondContact OG-N 3.42Å; S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.11Å
44	A	47.1	Very low	55.2	Low	72 Å²	72	64.5 Å²	64.5	60%	0.595	37%	0.373	S	S	*	.	H	α-helix	trans	-54.4	-19.7	173.9	0	0	0	0	0	112.9	A42 L46 S47 T48	A42-A44 PolarHBondContact O-N 3.48Å; A44-L46 VanDerWaalsContact C-N 3.29Å; A44-L46 PolarHBondContact O-N 3Å; A44-S47 PolarHBondContact O-OG 2.7Å; A44-T48 WeakPolarHBondContact O-CG2 3.47Å; A44-T48 PolarHBondContact O-N 2.87Å; A44-T48 PolarHBondContact O-OG1 2.9Å
45	R	52.1	Low	55.2	Low	167 Å²	167	66.2 Å²	66.2	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-70.3	-22.6	173.5	-59.7	-176.1	84.7	173.8	7	113.2	S43 T48 V49 I58	S43-R45 PolarHBondContact O-N 3.44Å; S43-R45 PolarHBondContact OG-N 3.42Å; R45-T48 PolarHBondContact O-OG1 3.1Å; R45-V49 WeakPolarHBondContact O-CG2 3.1Å; R45-I58 HydrophobicContact CB-CD1 4.43Å; R45-I58 WeakPolarHBondContact O-CD1 3.44Å
46	L	52.2	Low	55.3	Low	9 Å²	9	67.1 Å²	67.1	5%	0.047	38%	0.379	C	S	.	.	H	α-helix	trans	-88.1	-27.2	177.8	-117.7	130.3	0	0	0	112.3	A40 L41 S43 A44 R55 I58 V59	A40-L46 WeakPolarHBondContact O-CD1 3.3Å; L41-L46 HydrophobicContact CD2-CD2 4.14Å; S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.11Å; A44-L46 VanDerWaalsContact C-N 3.29Å; A44-L46 PolarHBondContact O-N 3Å; L46-R55 HydrophobicContact CD2-CB 3.82Å; L46-R55 HydrophobicContact CD2-CG 3.75Å; L46-R55 HydrophobicContact CG-CB 4.49Å; L46-R55 HydrophobicContact CG-CG 4.27Å; L46-I58 HydrophobicContact CD1-CB 4.04Å; L46-I58 HydrophobicContact CD1-CG2 3.5Å; L46-I58 HydrophobicContact CG-CG2 4.3Å; L46-V59 HydrophobicContact CD1-CG2 3.92Å; L46-V59 HydrophobicContact CD2-CG2 4.47Å
47	S	52.9	Low	55.6	Low	101 Å²	101	70.4 Å²	70.4	71%	0.706	39%	0.391	S	S	*	.	H	α-helix	trans	-75.7	-28.3	175.8	61.6	0	0	0	0	113.1	A44 V49	A44-S47 PolarHBondContact O-OG 2.7Å; S47-V49 VanDerWaalsContact C-N 3.35Å
48	T	53.2	Low	55.7	Low	105 Å²	105	69.4 Å²	69.4	64%	0.644	39%	0.385	S	S	*	.	S	Bend	trans	-84.2	-9.1	177.6	54.4	0	0	0	0	113.9	A44 R45	A44-T48 WeakPolarHBondContact O-CG2 3.47Å; A44-T48 PolarHBondContact O-N 2.87Å; A44-T48 PolarHBondContact O-OG1 2.9Å; R45-T48 PolarHBondContact O-OG1 3.1Å
49	V	56	Low	55.9	Low	30 Å²	30	68.9 Å²	68.9	18%	0.182	38%	0.381	C	S	.	.			trans	-99.1	109	-174.1	175.4	0	0	0	0	110.3	R45 S47 K51 D54 R55 I58	R45-V49 WeakPolarHBondContact O-CG2 3.1Å; S47-V49 VanDerWaalsContact C-N 3.35Å; V49-K51 WeakPolarHBondContact CG1-O 3.38Å; V49-D54 HydrophobicContact CG1-CB 3.2Å; V49-R55 HydrophobicContact CB-CG 3.92Å; V49-R55 HydrophobicContact CG1-CG 3.71Å; V49-R55 VanDerWaalsContact O-CD 3.29Å; V49-R55 WeakPolarHBondContact O-CD 3.08Å; V49-R55 WeakPolarHBondContact O-CG 3.18Å; V49-R55 PolarHBondContact O-NE 3.1Å; V49-I58 HydrophobicContact CB-CD1 4.45Å; V49-I58 HydrophobicContact CG2-CD1 3.83Å
50	T	54.9	Low	56.2	Low	124 Å²	124	64.9 Å²	64.9	76%	0.761	36%	0.363	S	S	*	.			trans	-76.9	-37.2	-177.9	54.4	0	0	0	0	112.2	S52 R55	T50-S52 PolarHBondContact O-N 2.99Å; T50-R55 PolarHBondContact O-NH2 2.72Å
51	K	54.3	Low	56.5	Low	136 Å²	136	65 Å²	65	59%	0.591	36%	0.363	S	S	*	.			trans	-73.3	127.3	-179	-64.3	-177.5	-177.4	175.4	0	110.8	V49 V53 D54 R55	V49-K51 WeakPolarHBondContact CG1-O 3.38Å; K51-V53 PolarHBondContact O-N 3.23Å; K51-D54 HydrophobicContact CB-CB 4.21Å; K51-D54 WeakPolarHBondContact CB-OD2 3.29Å; K51-D54 PolarHBondContact O-N 3.38Å; K51-R55 PolarHBondContact O-N 3.29Å; K51-R55 VanDerWaalsContact O-N 3.15Å
52	S	55.5	Low	56.9	Low	63 Å²	63	64.6 Å²	64.6	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-36.5	175.9	51.1	0	0	0	0	112.6	T50 R55 F56 F190	T50-S52 PolarHBondContact O-N 2.99Å; S52-R55 PolarHBondContact O-N 2.93Å; S52-F56 WeakPolarHBondContact O-CB 3.42Å; S52-F56 PolarHBondContact O-N 3.19Å; S52-F190 WeakPolarHBondContact O-CE1 3.5Å; S52-F190 VanDerWaalsContact O-CZ 3.28Å; S52-F190 WeakPolarHBondContact O-CZ 3.46Å
53	V	52.9	Low	57.4	Low	100 Å²	100	64.2 Å²	64.2	61%	0.606	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-43.3	178.5	-178.2	0	0	0	0	111.7	K51 F56 F57	K51-V53 PolarHBondContact O-N 3.23Å; V53-F56 WeakPolarHBondContact O-CB 3.38Å; V53-F56 PolarHBondContact O-N 3.34Å; V53-F57 PolarHBondContact O-N 2.69Å
54	D	55.8	Low	57.8	Low	75 Å²	75	62.8 Å²	62.8	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-70.6	-37.3	180	-65.4	-18.5	0	0	0	110.9	V49 K51 F56 F57 I58	V49-D54 HydrophobicContact CG1-CB 3.2Å; K51-D54 HydrophobicContact CB-CB 4.21Å; K51-D54 WeakPolarHBondContact CB-OD2 3.29Å; K51-D54 PolarHBondContact O-N 3.38Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-F57 PolarHBondContact O-N 2.96Å; D54-I58 VanDerWaalsContact O-CG1 3.31Å; D54-I58 WeakPolarHBondContact O-CG1 3.4Å; D54-I58 PolarHBondContact O-N 3.49Å
55	R	54.9	Low	58.7	Low	61 Å²	61	61.4 Å²	61.4	23%	0.23	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-43.2	170.9	-74.3	-175.2	-74.3	-167.9	-2.6	111.6	L46 V49 T50 K51 S52 F57 I58 V59 F190	L46-R55 HydrophobicContact CD2-CB 3.82Å; L46-R55 HydrophobicContact CD2-CG 3.75Å; L46-R55 HydrophobicContact CG-CB 4.49Å; L46-R55 HydrophobicContact CG-CG 4.27Å; V49-R55 HydrophobicContact CB-CG 3.92Å; V49-R55 HydrophobicContact CG1-CG 3.71Å; V49-R55 VanDerWaalsContact O-CD 3.29Å; V49-R55 WeakPolarHBondContact O-CD 3.08Å; V49-R55 WeakPolarHBondContact O-CG 3.18Å; V49-R55 PolarHBondContact O-NE 3.1Å; T50-R55 PolarHBondContact O-NH2 2.72Å; K51-R55 PolarHBondContact O-N 3.29Å; K51-R55 VanDerWaalsContact O-N 3.15Å; S52-R55 PolarHBondContact O-N 2.93Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-I58 PolarHBondContact O-N 3.43Å; R55-V59 WeakPolarHBondContact O-CG2 3.45Å; R55-V59 PolarHBondContact O-N 3.08Å; R55-V59 VanDerWaalsContact O-N 3.09Å; R55-F190 HydrophobicContact CB-CE2 4.08Å; R55-F190 HydrophobicContact CB-CZ 3.89Å
56	F	60.4	Low	59.3	Low	32 Å²	32	54 Å²	54	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-45.8	175.2	175	-94.7	0	0	0	111.2	S52 V53 D54 I58 V59 D60 N186 V187 F190	S52-F56 WeakPolarHBondContact O-CB 3.42Å; S52-F56 PolarHBondContact O-N 3.19Å; V53-F56 WeakPolarHBondContact O-CB 3.38Å; V53-F56 PolarHBondContact O-N 3.34Å; D54-F56 VanDerWaalsContact C-N 3.34Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 2.89Å; F56-V59 PolarHBondContact O-N 3.21Å; F56-D60 HydrophobicContact CE1-CB 4.33Å; F56-D60 HydrophobicContact CZ-CB 4.46Å; F56-D60 WeakPolarHBondContact O-CB 3.45Å; F56-D60 PolarHBondContact O-N 3.46Å; F56-N186 HydrophobicContact CE2-CB 4.15Å; F56-N186 HydrophobicContact CZ-CB 4.4Å; F56-V187 HydrophobicContact CE1-CG2 4.16Å; F56-V187 HydrophobicContact CE2-CB 4.23Å; F56-V187 HydrophobicContact CE2-CG2 3.58Å; F56-V187 HydrophobicContact CZ-CB 4.43Å; F56-V187 HydrophobicContact CZ-CG2 3.35Å; F56-F190 HydrophobicContact CB-CD1 4.33Å; F56-F190 HydrophobicContact CB-CD2 4.37Å; F56-F190 HydrophobicContact CB-CE1 4.27Å; F56-F190 HydrophobicContact CB-CE2 4.31Å; F56-F190 HydrophobicContact CB-CG 4.39Å; F56-F190 HydrophobicContact CB-CZ 4.26Å; F56-F190 HydrophobicContact CD2-CB 3.9Å; F56-F190 HydrophobicContact CD2-CD1 4.34Å; F56-F190 HydrophobicContact CD2-CD2 4.27Å; F56-F190 AromaticContact CD2-CG 3.91Å; F56-F190 HydrophobicContact CD2-CG 3.91Å; F56-F190 HydrophobicContact CE2-CB 4.44Å
57	F	62	Low	60	Low	82 Å²	82	57.2 Å²	57.2	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-41.1	178.5	-171.1	-107.1	0	0	0	112.5	V53 D54 R55 D60 C61 C170 L174	V53-F57 PolarHBondContact O-N 2.69Å; D54-F57 PolarHBondContact O-N 2.96Å; R55-F57 VanDerWaalsContact C-N 3.34Å; F57-D60 PolarHBondContact O-N 2.79Å; F57-C61 WeakPolarHBondContact O-CB 3.35Å; F57-C61 PolarHBondContact O-N 3.16Å; F57-C61 PolarHBondContact O-SG 2.98Å; F57-C170 HydrophobicContact CE1-CB 3.75Å; F57-C170 WeakPolarHBondContact CE1-SG 3.4Å; F57-C170 HydrophobicContact CZ-CB 3.52Å; F57-C170 VanDerWaalsContact CZ-SG 3.58Å; F57-L174 HydrophobicContact CE2-CD2 4.26Å
58	I	60.9	Low	60.7	Low	32 Å²	32	53.5 Å²	53.5	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-44.9	175.7	-66.2	164.7	0	0	0	111.2	R45 L46 V49 D54 R55 F56 Q62	R45-I58 HydrophobicContact CB-CD1 4.43Å; R45-I58 WeakPolarHBondContact O-CD1 3.44Å; L46-I58 HydrophobicContact CD1-CB 4.04Å; L46-I58 HydrophobicContact CD1-CG2 3.5Å; L46-I58 HydrophobicContact CG-CG2 4.3Å; V49-I58 HydrophobicContact CB-CD1 4.45Å; V49-I58 HydrophobicContact CG2-CD1 3.83Å; D54-I58 VanDerWaalsContact O-CG1 3.31Å; D54-I58 WeakPolarHBondContact O-CG1 3.4Å; D54-I58 PolarHBondContact O-N 3.49Å; R55-I58 PolarHBondContact O-N 3.43Å; F56-I58 VanDerWaalsContact C-N 3.34Å; F56-I58 PolarHBondContact O-N 2.89Å; I58-Q62 VanDerWaalsContact O-CG 3.27Å; I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 3.24Å; I58-Q62 VanDerWaalsContact O-N 3.16Å
59	V	63.1	Low	61.2	Low	16 Å²	16	48.6 Å²	48.6	10%	0.097	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-43	177.2	174.4	0	0	0	0	110.9	L37 L41 L46 R55 F56 Q62 L63	L37-V59 HydrophobicContact CD2-CG1 3.79Å; L41-V59 HydrophobicContact CD2-CG2 4.01Å; L46-V59 HydrophobicContact CD1-CG2 3.92Å; L46-V59 HydrophobicContact CD2-CG2 4.47Å; R55-V59 WeakPolarHBondContact O-CG2 3.45Å; R55-V59 PolarHBondContact O-N 3.08Å; R55-V59 VanDerWaalsContact O-N 3.09Å; F56-V59 PolarHBondContact O-N 3.21Å; V59-Q62 PolarHBondContact O-N 2.81Å; V59-L63 HydrophobicContact CG1-CD1 4.09Å; V59-L63 WeakPolarHBondContact O-CG 3.38Å; V59-L63 PolarHBondContact O-N 3.12Å
60	D	63.8	Low	61.6	Low	13 Å²	13	47.6 Å²	47.6	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-44	-179.5	-156.6	48.5	0	0	0	111.5	F56 F57 Q62 L63 V64 N186	F56-D60 HydrophobicContact CE1-CB 4.33Å; F56-D60 HydrophobicContact CZ-CB 4.46Å; F56-D60 WeakPolarHBondContact O-CB 3.45Å; F56-D60 PolarHBondContact O-N 3.46Å; F57-D60 PolarHBondContact O-N 2.79Å; D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.43Å; D60-L63 PolarHBondContact O-N 2.92Å; D60-L63 VanDerWaalsContact O-N 3.17Å; D60-V64 WeakPolarHBondContact O-CG2 3.44Å; D60-V64 PolarHBondContact O-N 2.74Å; D60-N186 PolarHBondContact OD1-ND2 3.38Å
61	C	64	Low	62.2	Low	3 Å²	3	48.9 Å²	48.9	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-37.4	174.4	-69.7	0	0	0	0	112.1	F57 R65 P169 C170 A173	F57-C61 WeakPolarHBondContact O-CB 3.35Å; F57-C61 PolarHBondContact O-N 3.16Å; F57-C61 PolarHBondContact O-SG 2.98Å; C61-R65 WeakPolarHBondContact O-CG 3.14Å; C61-R65 PolarHBondContact O-N 3.25Å; C61-R65 VanDerWaalsContact O-N 3.08Å; C61-P169 HydrophobicContact CB-CB 4.21Å; C61-P169 WeakPolarHBondContact CB-O 3.36Å; C61-P169 PolarHBondContact SG-O 3.49Å; C61-C170 WeakPolarHBondContact CB-SG 3.29Å; C61-C170 WeakPolarHBondContact SG-CB 3.43Å; C61-C170 CovalentContact SG-SG 2.07Å; C61-C170 PolarHBondContact SG-SG 3.16Å; C61-A173 HydrophobicContact CB-CB 4.42Å; C61-A173 WeakPolarHBondContact SG-CB 3.38Å
62	Q	65.3	Low	62.7	Low	59 Å²	59	46.5 Å²	46.5	28%	0.276	23%	0.229	S	C	.	.	H	α-helix	trans	-72.1	-37.5	176.8	-67.3	-74	10.6	0	0	112.7	A40 I58 V59 D60 R65 Q66	A40-Q62 HydrophobicContact CB-CB 3.75Å; A40-Q62 HydrophobicContact CB-CG 3.62Å; I58-Q62 VanDerWaalsContact O-CG 3.27Å; I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 3.24Å; I58-Q62 VanDerWaalsContact O-N 3.16Å; V59-Q62 PolarHBondContact O-N 2.81Å; D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.43Å; Q62-R65 PolarHBondContact O-N 3.37Å; Q62-Q66 PolarHBondContact O-N 3.17Å
63	L	66.8	Low	62.9	Low	33 Å²	33	46 Å²	46	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-40.8	174.2	-76.7	173.6	0	0	0	112.2	L37 V59 D60 Q66 H67 N186	L37-L63 HydrophobicContact CD1-CD2 4.06Å; L37-L63 HydrophobicContact CD2-CD1 3.95Å; L37-L63 HydrophobicContact CD2-CD2 3.48Å; L37-L63 VanDerWaalsContact CD2-CD2 3.48Å; L37-L63 HydrophobicContact CD2-CG 3.66Å; L37-L63 HydrophobicContact CG-CD2 3.68Å; L37-L63 HydrophobicContact CG-CG 4.42Å; V59-L63 HydrophobicContact CG1-CD1 4.09Å; V59-L63 WeakPolarHBondContact O-CG 3.38Å; V59-L63 PolarHBondContact O-N 3.12Å; D60-L63 PolarHBondContact O-N 2.92Å; D60-L63 VanDerWaalsContact O-N 3.17Å; L63-Q66 PolarHBondContact O-N 2.66Å; L63-H67 WeakPolarHBondContact O-CB 3.47Å; L63-H67 PolarHBondContact O-N 3.21Å; L63-N186 HydrophobicContact CD1-CB 4.31Å; L63-N186 WeakPolarHBondContact CD1-ND2 3.2Å; L63-N186 WeakPolarHBondContact CD1-OD1 3.15Å
64	V	65.7	Low	63.1	Low	5 Å²	5	43.4 Å²	43.4	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-43.5	175.3	172.2	0	0	0	0	110.9	D60 Q66 H67 N68 D172 A173 F176	D60-V64 WeakPolarHBondContact O-CG2 3.44Å; D60-V64 PolarHBondContact O-N 2.74Å; V64-Q66 PolarHBondContact O-N 2.99Å; V64-H67 WeakPolarHBondContact O-CB 3.36Å; V64-H67 PolarHBondContact O-N 3.08Å; V64-N68 PolarHBondContact O-N 3.5Å; V64-D172 HydrophobicContact CG1-CB 3.85Å; V64-A173 HydrophobicContact CG2-CB 4.44Å; V64-F176 HydrophobicContact CG1-CD2 4.24Å; V64-F176 HydrophobicContact CG2-CB 4.37Å; V64-F176 HydrophobicContact CG2-CD2 3.89Å; V64-F176 HydrophobicContact CG2-CE2 4.3Å; V64-F176 HydrophobicContact CG2-CG 4.03Å
65	R	65.6	Low	63.1	Low	44 Å²	44	43.6 Å²	43.6	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-47	173.6	-77.5	171.7	165.2	-164.6	-7.2	112.2	C61 Q62 H67 N68 V69 A165 K167	C61-R65 WeakPolarHBondContact O-CG 3.14Å; C61-R65 PolarHBondContact O-N 3.25Å; C61-R65 VanDerWaalsContact O-N 3.08Å; Q62-R65 PolarHBondContact O-N 3.37Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 3.11Å; R65-N68 PolarHBondContact O-N 2.99Å; R65-V69 WeakPolarHBondContact O-CG2 3.3Å; R65-V69 PolarHBondContact O-N 3.2Å; R65-A165 PolarHBondContact NH2-O 2.98Å; R65-A165 VanDerWaalsContact NH2-O 3.08Å; R65-K167 PolarHBondContact NH2-O 3.4Å
66	Q	65.2	Low	62.6	Low	12 Å²	12	47.1 Å²	47.1	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-39.8	178	-176.8	59.4	25	0	0	111.4	R33 A36 Q62 L63 V64 N68 V69 E70	R33-Q66 HydrophobicContact CG-CG 4.09Å; A36-Q66 HydrophobicContact CB-CB 4.32Å; A36-Q66 HydrophobicContact CB-CG 4.12Å; Q62-Q66 PolarHBondContact O-N 3.17Å; L63-Q66 PolarHBondContact O-N 2.66Å; V64-Q66 PolarHBondContact O-N 2.99Å; Q66-N68 VanDerWaalsContact C-N 3.32Å; Q66-N68 PolarHBondContact O-N 3.46Å; Q66-V69 WeakPolarHBondContact O-CB 3.5Å; Q66-V69 PolarHBondContact O-N 2.9Å; Q66-E70 VanDerWaalsContact O-CG 3.29Å; Q66-E70 WeakPolarHBondContact O-CG 3.33Å; Q66-E70 PolarHBondContact O-N 3.06Å
67	H	67.3	Low	62.1	Low	76 Å²	76	53.1 Å²	53.1	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-41.4	173.9	-178.5	62	0	0	0	112.3	L63 V64 R65 E70 K71	L63-H67 WeakPolarHBondContact O-CB 3.47Å; L63-H67 PolarHBondContact O-N 3.21Å; V64-H67 WeakPolarHBondContact O-CB 3.36Å; V64-H67 PolarHBondContact O-N 3.08Å; R65-H67 VanDerWaalsContact C-N 3.32Å; R65-H67 PolarHBondContact O-N 3.11Å; H67-E70 PolarHBondContact O-N 2.66Å; H67-K71 WeakPolarHBondContact O-CB 3.43Å; H67-K71 PolarHBondContact O-N 3.37Å
68	N	66.8	Low	60.8	Low	22 Å²	22	58.6 Å²	58.6	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-38.2	177	-74.4	-17.1	0	0	0	112.4	V64 R65 Q66 K71 E72 W164 D172	V64-N68 PolarHBondContact O-N 3.5Å; R65-N68 PolarHBondContact O-N 2.99Å; Q66-N68 VanDerWaalsContact C-N 3.32Å; Q66-N68 PolarHBondContact O-N 3.46Å; N68-K71 PolarHBondContact O-N 2.98Å; N68-E72 WeakPolarHBondContact O-CB 3.42Å; N68-E72 PolarHBondContact O-N 2.82Å; N68-W164 HydrophobicContact CB-CD2 3.7Å; N68-W164 HydrophobicContact CB-CE3 3.73Å; N68-W164 HydrophobicContact CB-CG 4.45Å; N68-W164 HydrophobicContact CB-CH2 3.7Å; N68-W164 HydrophobicContact CB-CZ2 3.68Å; N68-W164 HydrophobicContact CB-CZ3 3.75Å; N68-W164 WeakPolarHBondContact ND2-CZ3 3.43Å; N68-D172 PolarHBondContact ND2-OD2 3.39Å
69	V	64.1	Low	59.5	Low	3 Å²	3	58.3 Å²	58.3	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-46.4	171.3	171.6	0	0	0	0	110.5	R65 Q66 K71 E72 M73 A160 R161 W164	R65-V69 WeakPolarHBondContact O-CG2 3.3Å; R65-V69 PolarHBondContact O-N 3.2Å; Q66-V69 WeakPolarHBondContact O-CB 3.5Å; Q66-V69 PolarHBondContact O-N 2.9Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.36Å; V69-E72 PolarHBondContact O-N 3.26Å; V69-M73 HydrophobicContact CG1-CG 4.35Å; V69-M73 WeakPolarHBondContact O-CB 3.48Å; V69-M73 WeakPolarHBondContact O-CG 3.43Å; V69-M73 PolarHBondContact O-N 3.48Å; V69-A160 HydrophobicContact CG1-CB 4.16Å; V69-R161 HydrophobicContact CG1-CG 4.32Å; V69-R161 HydrophobicContact CG2-CG 4.25Å; V69-W164 HydrophobicContact CG2-CB 4.07Å; V69-W164 HydrophobicContact CG2-CG 3.97Å
70	E	63.9	Low	57.8	Low	8 Å²	8	64 Å²	64	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-41.8	178.9	-69.8	168.7	-178.1	0	0	112.5	L29 R33 Q66 H67 M73 G74 L75	L29-E70 HydrophobicContact CD1-CG 3.98Å; R33-E70 WeakPolarHBondContact CD-OE1 3.47Å; R33-E70 WeakPolarHBondContact CG-OE1 3.24Å; R33-E70 IonicContact CZ-OE1 3.34Å; R33-E70 IonicContact CZ-OE2 3.51Å; R33-E70 IonicContact NE-OE1 3.21Å; R33-E70 PolarHBondContact NE-OE1 3.33Å; R33-E70 IonicContact NE-OE2 3.75Å; R33-E70 PolarHBondContact NE-OE2 2.83Å; R33-E70 IonicContact NH2-OE1 2.66Å; R33-E70 IonicContact NH2-OE2 3.65Å; R33-E70 PolarHBondContact NH2-OE2 2.93Å; Q66-E70 VanDerWaalsContact O-CG 3.29Å; Q66-E70 WeakPolarHBondContact O-CG 3.33Å; Q66-E70 PolarHBondContact O-N 3.06Å; H67-E70 PolarHBondContact O-N 2.66Å; E70-M73 PolarHBondContact O-N 3.33Å; E70-G74 PolarHBondContact O-N 2.97Å; E70-L75 HydrophobicContact CB-CB 4.33Å; E70-L75 HydrophobicContact CB-CD1 4.36Å; E70-L75 HydrophobicContact CG-CD1 4.25Å; E70-L75 WeakPolarHBondContact O-CB 3.22Å; E70-L75 PolarHBondContact O-N 2.88Å
71	K	67.6	Low	56.2	Low	151 Å²	151	67.5 Å²	67.5	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-62.4	-45.2	176	-173.2	179.3	178.2	-177.8	0	111.5	H67 N68 V69 M73 G74	H67-K71 WeakPolarHBondContact O-CB 3.43Å; H67-K71 PolarHBondContact O-N 3.37Å; N68-K71 PolarHBondContact O-N 2.98Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.36Å; K71-M73 VanDerWaalsContact C-N 3.32Å; K71-M73 PolarHBondContact O-N 2.78Å; K71-G74 PolarHBondContact O-N 3.42Å; K71-G74 VanDerWaalsContact O-N 3.15Å
72	E	65.6	Low	54.4	Low	86 Å²	86	76.9 Å²	76.9	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-35.6	177.9	-175.2	167.7	-170.7	0	0	112.2	N68 V69 G74 K163 W164	N68-E72 WeakPolarHBondContact O-CB 3.42Å; N68-E72 PolarHBondContact O-N 2.82Å; V69-E72 PolarHBondContact O-N 3.26Å; E72-G74 PolarHBondContact O-N 3.42Å; E72-G74 VanDerWaalsContact O-N 3.17Å; E72-K163 IonicContact OE1-NZ 2.69Å; E72-K163 PolarHBondContact OE1-NZ 2.95Å; E72-K163 IonicContact OE2-NZ 3.78Å; E72-W164 PolarHBondContact OE2-NE1 3.17Å
73	M	59.9	Low	52.9	Low	53 Å²	53	77.3 Å²	77.3	26%	0.261	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	2.4	176.2	-67.2	-62.2	-66.1	0	0	113.5	V69 E70 K71 L75 Q156 L157 A160	V69-M73 HydrophobicContact CG1-CG 4.35Å; V69-M73 WeakPolarHBondContact O-CB 3.48Å; V69-M73 WeakPolarHBondContact O-CG 3.43Å; V69-M73 PolarHBondContact O-N 3.48Å; E70-M73 PolarHBondContact O-N 3.33Å; K71-M73 VanDerWaalsContact C-N 3.32Å; K71-M73 PolarHBondContact O-N 2.78Å; M73-L75 HydrophobicContact CB-CD1 3.89Å; M73-L75 HydrophobicContact CB-CG 3.78Å; M73-L75 PolarHBondContact O-N 2.97Å; M73-Q156 HydrophobicContact CE-CB 4.03Å; M73-Q156 HydrophobicContact SD-CB 4.35Å; M73-L157 HydrophobicContact CE-CB 4.43Å; M73-A160 HydrophobicContact SD-CB 4.29Å
74	G	56	Low	51.3	Low	46 Å²	46	80 Å²	80	47%	0.474	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	28	-178.3	0	0	0	0	0	112.5	E70 K71 E72 N76	E70-G74 PolarHBondContact O-N 2.97Å; K71-G74 PolarHBondContact O-N 3.42Å; K71-G74 VanDerWaalsContact O-N 3.15Å; E72-G74 PolarHBondContact O-N 3.42Å; E72-G74 VanDerWaalsContact O-N 3.17Å; G74-N76 PolarHBondContact O-N 3.17Å
75	L	55.8	Low	49.5	Very low	79 Å²	79	84.5 Å²	84.5	41%	0.414	44%	0.441	S	S	.	.			trans	-76.3	66.4	177.4	-59.4	173.4	0	0	0	108.7	L29 E70 M73 K77	L29-L75 HydrophobicContact CD1-CB 4.01Å; L29-L75 HydrophobicContact CD1-CD1 3.4Å; L29-L75 HydrophobicContact CD1-CG 4.18Å; E70-L75 HydrophobicContact CB-CB 4.33Å; E70-L75 HydrophobicContact CB-CD1 4.36Å; E70-L75 HydrophobicContact CG-CD1 4.25Å; E70-L75 WeakPolarHBondContact O-CB 3.22Å; E70-L75 PolarHBondContact O-N 2.88Å; M73-L75 HydrophobicContact CB-CD1 3.89Å; M73-L75 HydrophobicContact CB-CG 3.78Å; M73-L75 PolarHBondContact O-N 2.97Å; L75-K77 PolarHBondContact O-N 3.35Å
76	N	45.8	Very low	48	Very low	134 Å²	134	86.9 Å²	86.9	72%	0.717	46%	0.464	S	S	*	.			trans	-77.8	102.4	177.1	-70.2	-21.9	0	0	0	108.5	G74	G74-N76 PolarHBondContact O-N 3.17Å
77	K	48.6	Very low	46.7	Very low	158 Å²	158	89.3 Å²	89.3	69%	0.687	48%	0.477	S	S	*	.			trans	177.3	132	140	-94.5	157	-166.6	-159.6	0	109.1	L75 G79	L75-K77 PolarHBondContact O-N 3.35Å; K77-G79 PolarHBondContact O-N 3.02Å
78	Q	36.2	Very low	45.4	Very low	198 Å²	198	87.2 Å²	87.2	93%	0.925	47%	0.47	S	S	*	.			trans	-54.6	74.1	148.7	-74.7	96.4	-19.2	0	0	108.8
79	G	31.6	Very low	44.2	Very low	25 Å²	25	89.5 Å²	89.5	26%	0.258	49%	0.492	S	S	.	.			trans	-78.6	117.9	160.7	0	0	0	0	0	105.6	K77 I81	K77-G79 PolarHBondContact O-N 3.02Å; G79-I81 PolarHBondContact O-N 2.92Å
80	D	27.6	Very low	43.1	Very low	137 Å²	137	92.7 Å²	92.7	73%	0.733	52%	0.515	S	S	*	.			trans	-23.9	109.8	177.2	-71	-41.2	0	0	0	111.9	R82	D80-R82 PolarHBondContact O-N 3.42Å
81	I	31.9	Very low	42.1	Very low	86 Å²	86	93.7 Å²	93.7	44%	0.441	52%	0.519	S	S	.	.			trans	-65.8	83.5	167.9	-58.8	173.9	0	0	0	105.1	G79 T83 L185	G79-I81 PolarHBondContact O-N 2.92Å; I81-T83 HydrophobicContact CG2-CG2 4.43Å; I81-T83 PolarHBondContact O-N 3.19Å; I81-L185 HydrophobicContact CG2-CD2 4.46Å
82	R	26.1	Very low	40.7	Very low	199 Å²	199	89.6 Å²	89.6	75%	0.751	50%	0.504	S	S	*	.			trans	-69.9	91.2	164.8	-80.4	-173	172.3	-169.5	-2.8	106.3	D80 T84	D80-R82 PolarHBondContact O-N 3.42Å; R82-T84 PolarHBondContact O-N 2.99Å
83	T	32.7	Very low	39.5	Very low	69 Å²	69	91.3 Å²	91.3	42%	0.423	51%	0.512	S	S	.	.			trans	-45	114.8	168.6	42.8	0	0	0	0	111	I81 A85 L185	I81-T83 HydrophobicContact CG2-CG2 4.43Å; I81-T83 PolarHBondContact O-N 3.19Å; T83-A85 VanDerWaalsContact C-N 3.26Å; T83-A85 PolarHBondContact O-N 3.42Å; T83-L185 HydrophobicContact CG2-CD1 4.37Å
84	T	32.5	Very low	38.4	Very low	90 Å²	90	93.5 Å²	93.5	55%	0.552	52%	0.521	S	S	*	.	S	Bend	trans	54.9	14.1	144.9	54.5	0	0	0	0	120	R82	R82-T84 PolarHBondContact O-N 2.99Å
85	A	28.9	Very low	37.7	Very low	98 Å²	98	93.1 Å²	93.1	81%	0.81	51%	0.514	S	S	*	.	S	Bend	trans	-101.9	4.5	177.9	0	0	0	0	0	114.6	T83	T83-A85 VanDerWaalsContact C-N 3.26Å; T83-A85 PolarHBondContact O-N 3.42Å
86	S	33.4	Very low	36.8	Very low	94 Å²	94	97.2 Å²	97.2	66%	0.657	53%	0.528	S	S	*	.			trans	-124.2	13.8	-174.3	64.7	0	0	0	0	115.2
87	L	38.2	Very low	36.4	Very low	63 Å²	63	97.8 Å²	97.8	33%	0.33	53%	0.531	S	S	.	.	S	Bend	trans	-79.3	127.7	163.7	-76.2	168.2	0	0	0	107.6	A89 I92	L87-A89 PolarHBondContact O-N 2.75Å; L87-I92 HydrophobicContact CB-CD1 4.1Å; L87-I92 HydrophobicContact CB-CG1 3.89Å
88	P	40.1	Very low	35.7	Very low	32 Å²	32	92.8 Å²	92.8	21%	0.208	51%	0.513	C	S	.	.			trans	-49.8	136.9	170.1	-22.7	31.6	0	0	0	109.5	S90 H91 I92	P88-S90 PolarHBondContact O-N 3.49Å; P88-H91 PolarHBondContact O-N 3.39Å; P88-I92 PolarHBondContact O-N 3.44Å
89	A	42.4	Very low	35.4	Very low	70 Å²	70	86.3 Å²	86.3	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-50.7	-36	-179.2	0	0	0	0	0	112	L87 H91 I92 E93	L87-A89 PolarHBondContact O-N 2.75Å; A89-H91 VanDerWaalsContact C-N 3.3Å; A89-H91 PolarHBondContact O-N 3.09Å; A89-I92 PolarHBondContact O-N 3.36Å; A89-I92 VanDerWaalsContact O-N 3.11Å; A89-E93 WeakPolarHBondContact O-CG 3.44Å; A89-E93 PolarHBondContact O-N 2.95Å
90	S	40.9	Very low	35.5	Very low	71 Å²	71	91.3 Å²	91.3	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-56.9	-35.2	175.1	57	0	0	0	0	114.5	P88 H94	P88-S90 PolarHBondContact O-N 3.49Å; S90-H94 VanDerWaalsContact O-CB 3.31Å; S90-H94 WeakPolarHBondContact O-CB 3.11Å; S90-H94 PolarHBondContact O-N 2.84Å
91	H	41.7	Very low	35.8	Very low	28 Å²	28	86.1 Å²	86.1	13%	0.13	49%	0.492	C	S	.	.	H	α-helix	trans	-78.6	-30.9	178	-66.9	166.6	0	0	0	112.2	P88 A89 A95 V102	P88-H91 PolarHBondContact O-N 3.39Å; A89-H91 VanDerWaalsContact C-N 3.3Å; A89-H91 PolarHBondContact O-N 3.09Å; H91-A95 WeakPolarHBondContact O-CB 3.4Å; H91-A95 PolarHBondContact O-N 3.01Å; H91-A95 VanDerWaalsContact O-N 3.1Å; H91-V102 HydrophobicContact CB-CG1 3.91Å
92	I	39.1	Very low	35.9	Very low	66 Å²	66	83.1 Å²	83.1	34%	0.338	48%	0.478	S	S	.	.	H	α-helix	trans	-69.8	-41.1	173.9	-59.3	174.4	0	0	0	109.6	L87 P88 A89 K96	L87-I92 HydrophobicContact CB-CD1 4.1Å; L87-I92 HydrophobicContact CB-CG1 3.89Å; P88-I92 PolarHBondContact O-N 3.44Å; A89-I92 PolarHBondContact O-N 3.36Å; A89-I92 VanDerWaalsContact O-N 3.11Å; I92-K96 HydrophobicContact CG2-CD 4.37Å; I92-K96 WeakPolarHBondContact O-CB 3.47Å; I92-K96 VanDerWaalsContact O-CG 3.24Å; I92-K96 WeakPolarHBondContact O-CG 3.42Å; I92-K96 PolarHBondContact O-N 3.45Å; I92-K96 VanDerWaalsContact O-N 3.08Å
93	E	40.9	Very low	36.4	Very low	121 Å²	121	74.6 Å²	74.6	57%	0.565	45%	0.45	S	S	*	.	H	α-helix	trans	-69.7	-42.4	177.3	-71.1	-170.7	165.5	0	0	112.6	A89 A95 K96 L97	A89-E93 WeakPolarHBondContact O-CG 3.44Å; A89-E93 PolarHBondContact O-N 2.95Å; E93-A95 PolarHBondContact O-N 3.48Å; E93-K96 WeakPolarHBondContact O-CB 3.5Å; E93-K96 PolarHBondContact O-N 3.15Å; E93-L97 WeakPolarHBondContact O-CB 3.35Å; E93-L97 WeakPolarHBondContact O-CG 3.24Å; E93-L97 PolarHBondContact O-N 2.72Å
94	H	36	Very low	36.5	Very low	100 Å²	100	72.4 Å²	72.4	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-64.2	-39.7	176.3	-172.4	-81.7	0	0	0	112.4	S90 K96 L97 T98 V102	S90-H94 VanDerWaalsContact O-CB 3.31Å; S90-H94 WeakPolarHBondContact O-CB 3.11Å; S90-H94 PolarHBondContact O-N 2.84Å; H94-K96 VanDerWaalsContact C-N 3.34Å; H94-L97 PolarHBondContact O-N 2.91Å; H94-T98 PolarHBondContact ND1-OG1 2.94Å; H94-T98 WeakPolarHBondContact O-CB 3.43Å; H94-T98 PolarHBondContact O-N 2.91Å; H94-T98 PolarHBondContact O-OG1 3.31Å; H94-V102 HydrophobicContact CB-CG2 4.1Å; H94-V102 WeakPolarHBondContact ND1-CG2 3.29Å
95	A	40.7	Very low	36.6	Very low	38 Å²	38	71.8 Å²	71.8	31%	0.314	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-38.6	174.3	0	0	0	0	0	112	H91 E93 G99 V102	H91-A95 WeakPolarHBondContact O-CB 3.4Å; H91-A95 PolarHBondContact O-N 3.01Å; H91-A95 VanDerWaalsContact O-N 3.1Å; E93-A95 PolarHBondContact O-N 3.48Å; A95-G99 PolarHBondContact O-N 2.96Å; A95-V102 HydrophobicContact CB-CB 4.45Å; A95-V102 HydrophobicContact CB-CG2 3.74Å
96	K	38.2	Very low	36.8	Very low	165 Å²	165	71.8 Å²	71.8	72%	0.717	41%	0.412	S	S	*	.	H	α-helix	trans	-64.7	-40	174.1	-77	172.9	178.3	-178.7	0	112.3	I92 E93 H94	I92-K96 HydrophobicContact CG2-CD 4.37Å; I92-K96 WeakPolarHBondContact O-CB 3.47Å; I92-K96 VanDerWaalsContact O-CG 3.24Å; I92-K96 WeakPolarHBondContact O-CG 3.42Å; I92-K96 PolarHBondContact O-N 3.45Å; I92-K96 VanDerWaalsContact O-N 3.08Å; E93-K96 WeakPolarHBondContact O-CB 3.5Å; E93-K96 PolarHBondContact O-N 3.15Å; H94-K96 VanDerWaalsContact C-N 3.34Å
97	L	36.4	Very low	36.6	Very low	146 Å²	146	73.6 Å²	73.6	76%	0.764	41%	0.413	S	S	*	.	H	α-helix	trans	-76	-38.4	-177	-80.4	161.8	0	0	0	113.3	E93 H94	E93-L97 WeakPolarHBondContact O-CB 3.35Å; E93-L97 WeakPolarHBondContact O-CG 3.24Å; E93-L97 PolarHBondContact O-N 2.72Å; H94-L97 PolarHBondContact O-N 2.91Å
98	T	35.1	Very low	36.3	Very low	53 Å²	53	75.5 Å²	75.5	33%	0.325	42%	0.421	S	S	.	.	H	α-helix	trans	-99.9	-13.1	-170.4	58.6	0	0	0	0	114.1	H94 H100	H94-T98 PolarHBondContact ND1-OG1 2.94Å; H94-T98 WeakPolarHBondContact O-CB 3.43Å; H94-T98 PolarHBondContact O-N 2.91Å; H94-T98 PolarHBondContact O-OG1 3.31Å; T98-H100 PolarHBondContact O-CD2 3.37Å; T98-H100 PolarHBondContact O-N 3.03Å; T98-H100 PolarHBondContact OG1-N 3.28Å
99	G	29.5	Very low	35.7	Very low	61 Å²	61	79.2 Å²	79.2	63%	0.629	44%	0.437	S	S	*	.			trans	63.4	2.9	-170.6	0	0	0	0	0	113.5	A95	A95-G99 PolarHBondContact O-N 2.96Å
100	H	32.8	Very low	35.4	Very low	130 Å²	130	83.7 Å²	83.7	60%	0.602	44%	0.443	S	S	*	.	S	Bend	trans	-93.5	144	179.9	-69.8	-49.9	0	0	0	111	T98 V102	T98-H100 PolarHBondContact O-CD2 3.37Å; T98-H100 PolarHBondContact O-N 3.03Å; T98-H100 PolarHBondContact OG1-N 3.28Å; H100-V102 PolarHBondContact O-N 2.89Å
101	A	34.8	Very low	34.9	Very low	29 Å²	29	84.6 Å²	84.6	24%	0.24	44%	0.44	C	S	.	.			trans	-51.9	109.3	164.2	0	0	0	0	0	109.9	S38 A42 A103	S38-A101 VanDerWaalsContact CB-CB 3.41Å; S38-A101 WeakPolarHBondContact O-CB 3.46Å; A42-A101 HydrophobicContact CB-CB 3.64Å; A101-A103 VanDerWaalsContact C-N 3.27Å; A101-A103 PolarHBondContact O-N 3.26Å
102	V	34.3	Very low	34.4	Very low	23 Å²	23	95.8 Å²	95.8	14%	0.139	48%	0.481	C	S	.	.			trans	-74.8	94.7	167.3	178.5	0	0	0	0	106.2	H91 H94 A95 H100 P104	H91-V102 HydrophobicContact CB-CG1 3.91Å; H94-V102 HydrophobicContact CB-CG2 4.1Å; H94-V102 WeakPolarHBondContact ND1-CG2 3.29Å; A95-V102 HydrophobicContact CB-CB 4.45Å; A95-V102 HydrophobicContact CB-CG2 3.74Å; H100-V102 PolarHBondContact O-N 2.89Å; V102-P104 WeakPolarHBondContact O-CD 3.41Å
103	A	35.8	Very low	34	Very low	19 Å²	19	95.8 Å²	95.8	16%	0.157	50%	0.497	C	S	.	.			trans	-55.8	126.6	159.8	0	0	0	0	0	106.3	T35 A101 T105 A123	T35-A103 HydrophobicContact CG2-CB 4.01Å; A101-A103 VanDerWaalsContact C-N 3.27Å; A101-A103 PolarHBondContact O-N 3.26Å; A103-T105 PolarHBondContact O-N 3.4Å; A103-A123 HydrophobicContact CB-CB 3.53Å
104	P	35.9	Very low	33.4	Very low	23 Å²	23	99 Å²	99	15%	0.149	50%	0.504	C	S	.	.			trans	-59.9	90.6	168.4	24.4	-32.7	0	0	0	108.5	I31 T35 V102 R106	I31-P104 HydrophobicContact CB-CG 4.08Å; I31-P104 HydrophobicContact CG1-CB 4.4Å; I31-P104 HydrophobicContact CG1-CG 4.44Å; I31-P104 HydrophobicContact CG2-CB 3.78Å; I31-P104 HydrophobicContact CG2-CG 3.21Å; T35-P104 WeakPolarHBondContact OG1-CD 3.48Å; T35-P104 VanDerWaalsContact OG1-CG 3.27Å; T35-P104 WeakPolarHBondContact OG1-CG 3.45Å; V102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-R106 PolarHBondContact O-N 3Å
105	T	34.3	Very low	33	Very low	78 Å²	78	99.9 Å²	99.9	48%	0.479	52%	0.518	S	S	.	.			trans	-67.6	72.9	160.4	33.2	0	0	0	0	107.2	A103	A103-T105 PolarHBondContact O-N 3.4Å
106	R	32.2	Very low	32.6	Very low	98 Å²	98	107.8 Å²	107.8	37%	0.37	55%	0.545	S	S	.	.			trans	-126.3	61.1	173.8	-78.8	-162.7	157.6	-179.3	-3.4	111.9	P104 E108	P104-R106 PolarHBondContact O-N 3Å; R106-E108 HydrophobicContact CG-CB 4.18Å; R106-E108 HydrophobicContact CG-CG 4.44Å; R106-E108 IonicContact NE-OE2 2.82Å
107	L	28.6	Very low	32.3	Very low	131 Å²	131	104.4 Å²	104.4	69%	0.686	53%	0.534	S	S	*	.			trans	-68.5	-2.4	136	-105.4	150.6	0	0	0	112.1	M109 F110	L107-M109 PolarHBondContact O-N 2.88Å; L107-F110 PolarHBondContact O-N 3.28Å
108	E	31.7	Very low	31.8	Very low	103 Å²	103	109.3 Å²	109.3	48%	0.481	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-69.3	-6.7	176.9	-60	-175.8	158.3	0	0	115	R106 F110	R106-E108 HydrophobicContact CG-CB 4.18Å; R106-E108 HydrophobicContact CG-CG 4.44Å; R106-E108 IonicContact NE-OE2 2.82Å; E108-F110 PolarHBondContact O-N 3.34Å
109	M	29.2	Very low	31.6	Very low	111 Å²	111	113.8 Å²	113.8	55%	0.547	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-81.9	3.9	176	-69.7	-166.2	-68.5	0	0	114.1	I31 L107	I31-M109 HydrophobicContact CD1-CE 4.32Å; L107-M109 PolarHBondContact O-N 2.88Å
110	F	34.5	Very low	31.5	Very low	164 Å²	164	115 Å²	115	72%	0.719	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-110.1	3.9	172.3	-85.7	-85.1	0	0	0	114.4	L107 E108	L107-F110 PolarHBondContact O-N 3.28Å; E108-F110 PolarHBondContact O-N 3.34Å
111	E	31.4	Very low	31.2	Very low	89 Å²	89	120.2 Å²	120.2	42%	0.416	58%	0.576	S	S	.	*			trans	-98.6	13.9	-168	-70.9	-163.9	153.1	0	0	116.5	G113	E111-G113 PolarHBondContact O-N 2.97Å
112	R	30.3	Very low	30.9	Very low	264 Å²	264	122.8 Å²	122.8	100%	0.996	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	24.4	173	-97.9	-172.1	-177.9	171.9	0.8	115.2
113	G	31	Very low	30.8	Very low	65 Å²	65	124.4 Å²	124.4	67%	0.67	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.6	2.8	-176.7	0	0	0	0	0	118.9	E111	E111-G113 PolarHBondContact O-N 2.97Å
114	R	28.6	Very low	30.4	Very low	190 Å²	190	129.1 Å²	129.1	72%	0.717	65%	0.645	S	S	*	*			trans	-144.5	130.2	179.7	-68.1	-169.3	177.5	-174.1	-2.3	112.7
115	P	29	Very low	30.1	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	67%	0.667	S	S	*	*	S	Bend	trans	-76.9	141.7	176.9	33.1	-31.3	0	0	0	109.5
116	K	30.2	Very low	29.8	Very low	204 Å²	204	132.2 Å²	132.2	89%	0.887	69%	0.689	S	S	*	*			trans	73.5	79.9	166.7	-53.3	174.6	-178.6	178.5	0	116.1
117	I	32.1	Very low	29.6	Very low	95 Å²	95	136.7 Å²	136.7	49%	0.487	71%	0.706	S	S	.	*			trans	-128.8	113.1	147.7	-42.3	176	0	0	0	110.3	F119	I117-F119 HydrophobicContact CB-CD2 4.01Å; I117-F119 HydrophobicContact CB-CE2 3.73Å; I117-F119 HydrophobicContact CB-CZ 4.43Å; I117-F119 HydrophobicContact CD1-CE2 4.07Å; I117-F119 HydrophobicContact CG1-CE2 4.5Å; I117-F119 HydrophobicContact CG2-CD1 4.34Å; I117-F119 HydrophobicContact CG2-CD2 3.49Å; I117-F119 VanDerWaalsContact CG2-CD2 3.49Å; I117-F119 HydrophobicContact CG2-CE1 3.99Å; I117-F119 HydrophobicContact CG2-CE2 3.09Å; I117-F119 HydrophobicContact CG2-CG 4.12Å; I117-F119 HydrophobicContact CG2-CZ 3.37Å; I117-F119 PolarHBondContact O-N 2.97Å
118	R	26.9	Very low	29.6	Very low	248 Å²	248	137.5 Å²	137.5	94%	0.936	71%	0.71	S	S	*	*			trans	-81.1	95.1	171.8	-72.2	179.2	176.9	175.1	-2.1	108.1
119	F	30.7	Very low	29.4	Very low	148 Å²	148	140.1 Å²	140.1	65%	0.649	72%	0.72	S	S	*	*			trans	-97.1	87.3	167.2	-71.8	-65.7	0	0	0	110.2	I117	I117-F119 HydrophobicContact CB-CD2 4.01Å; I117-F119 HydrophobicContact CB-CE2 3.73Å; I117-F119 HydrophobicContact CB-CZ 4.43Å; I117-F119 HydrophobicContact CD1-CE2 4.07Å; I117-F119 HydrophobicContact CG1-CE2 4.5Å; I117-F119 HydrophobicContact CG2-CD1 4.34Å; I117-F119 HydrophobicContact CG2-CD2 3.49Å; I117-F119 VanDerWaalsContact CG2-CD2 3.49Å; I117-F119 HydrophobicContact CG2-CE1 3.99Å; I117-F119 HydrophobicContact CG2-CE2 3.09Å; I117-F119 HydrophobicContact CG2-CG 4.12Å; I117-F119 HydrophobicContact CG2-CZ 3.37Å; I117-F119 PolarHBondContact O-N 2.97Å
120	A	26.8	Very low	29.5	Very low	85 Å²	85	142.2 Å²	142.2	70%	0.702	73%	0.733	S	S	*	*			trans	-73.3	128.6	168.4	0	0	0	0	0	110.2	A122	A120-A122 PolarHBondContact O-N 3.29Å
121	R	26.9	Very low	29.3	Very low	241 Å²	241	145.7 Å²	145.7	91%	0.909	74%	0.741	S	S	*	*	S	Bend	trans	47.6	70.6	140.3	-154.6	-178.5	-146.2	177.6	5.5	115.9
122	A	28.8	Very low	29.3	Very low	82 Å²	82	150 Å²	150	68%	0.678	76%	0.762	S	S	*	*			trans	-133.2	12	-178	0	0	0	0	0	116.1	A120 S124	A120-A122 PolarHBondContact O-N 3.29Å; A122-S124 VanDerWaalsContact C-N 3.32Å; A122-S124 PolarHBondContact O-N 3.2Å
123	A	31.9	Very low	29.6	Very low	57 Å²	57	145.8 Å²	145.8	47%	0.471	75%	0.753	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	3.7	-177.6	0	0	0	0	0	114.9	A103	A103-A123 HydrophobicContact CB-CB 3.53Å
124	S	28.5	Very low	29.8	Very low	118 Å²	118	148 Å²	148	83%	0.825	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	20.1	-172.9	62.3	0	0	0	0	115.4	A122	A122-S124 VanDerWaalsContact C-N 3.32Å; A122-S124 PolarHBondContact O-N 3.2Å
125	A	29.1	Very low	30.1	Very low	76 Å²	76	149.2 Å²	149.2	63%	0.628	77%	0.766	S	S	*	*			trans	-144.2	119.2	174.6	0	0	0	0	0	110.8	R127	A125-R127 PolarHBondContact O-N 3.45Å
126	G	28.2	Very low	30.6	Very low	91 Å²	91	152.3 Å²	152.3	94%	0.938	77%	0.77	S	S	*	*	S	Bend	trans	-65.5	56.7	177.9	0	0	0	0	0	114.9
127	R	27.3	Very low	30.7	Very low	192 Å²	192	147.4 Å²	147.4	73%	0.725	77%	0.768	S	S	*	*			trans	-142.9	81.6	170.6	-72.2	-170.5	-177.5	-169.2	-0.8	109.2	A125 F129	A125-R127 PolarHBondContact O-N 3.45Å; R127-F129 HydrophobicContact CB-CD2 3.89Å; R127-F129 HydrophobicContact CB-CE2 3.99Å; R127-F129 HydrophobicContact CG-CE2 4.39Å; R127-F129 PolarHBondContact O-N 2.93Å
128	L	29.1	Very low	30.8	Very low	147 Å²	147	146.7 Å²	146.7	77%	0.77	78%	0.784	S	S	*	*			trans	-65.6	84.7	155.9	-92	160.3	0	0	0	107.2	L130	L128-L130 PolarHBondContact O-N 2.91Å; L128-L130 VanDerWaalsContact O-N 3.09Å
129	F	27.6	Very low	31.5	Very low	159 Å²	159	140.2 Å²	140.2	70%	0.697	77%	0.772	S	S	*	*			trans	-61.5	109	161.9	-88.6	-87	0	0	0	107	R127 R131	R127-F129 HydrophobicContact CB-CD2 3.89Å; R127-F129 HydrophobicContact CB-CE2 3.99Å; R127-F129 HydrophobicContact CG-CE2 4.39Å; R127-F129 PolarHBondContact O-N 2.93Å; F129-R131 PolarHBondContact O-N 3.46Å
130	L	31.3	Very low	31.9	Very low	155 Å²	155	143.7 Å²	143.7	81%	0.812	79%	0.787	S	S	*	*			trans	-57.6	84.3	154	-84.3	152.7	0	0	0	107	L128 E132	L128-L130 PolarHBondContact O-N 2.91Å; L128-L130 VanDerWaalsContact O-N 3.09Å; L130-E132 PolarHBondContact O-N 3.22Å; L130-E132 VanDerWaalsContact O-N 3.12Å
131	R	29.4	Very low	32.6	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	79%	0.786	S	S	*	*			trans	-75.8	100.6	166	-154.2	176.4	-174	177.7	2.1	105.4	F129 Q133	F129-R131 PolarHBondContact O-N 3.46Å; R131-Q133 PolarHBondContact O-N 3.37Å
132	E	31.3	Very low	32.9	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	78%	0.782	S	S	*	*			trans	-40.9	121.7	169	-68.4	-176.2	140.1	0	0	108.9	L130	L130-E132 PolarHBondContact O-N 3.22Å; L130-E132 VanDerWaalsContact O-N 3.12Å
133	Q	36.7	Very low	33.3	Very low	175 Å²	175	139.9 Å²	139.9	82%	0.818	78%	0.782	S	S	*	*			trans	-65.8	136.4	166.8	-77.8	-142.1	-8.9	0	0	108.3	R131 K135	R131-Q133 PolarHBondContact O-N 3.37Å; Q133-K135 PolarHBondContact O-N 2.95Å
134	P	35.5	Very low	33.7	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	79%	0.787	S	S	*	*			trans	-60.3	129.2	173	25.8	-31.1	0	0	0	108.2	Q136	P134-Q136 VanDerWaalsContact C-N 3.33Å; P134-Q136 PolarHBondContact O-N 3.31Å
135	K	34.9	Very low	34.4	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	79%	0.789	S	S	*	*			trans	-54	93.6	175.2	-69.4	174.7	179.1	173.1	0	109.1	Q133 A137	Q133-K135 PolarHBondContact O-N 2.95Å; K135-A137 PolarHBondContact O-N 2.95Å; K135-A137 VanDerWaalsContact O-N 3.17Å
136	Q	39	Very low	34.9	Very low	182 Å²	182	148.6 Å²	148.6	85%	0.85	79%	0.791	S	S	*	*			trans	-73.9	106.9	163	-85.2	-163.8	-17	0	0	107.6	P134	P134-Q136 VanDerWaalsContact C-N 3.33Å; P134-Q136 PolarHBondContact O-N 3.31Å
137	A	33.7	Very low	35.2	Very low	102 Å²	102	148.5 Å²	148.5	84%	0.843	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	136.8	170.5	0	0	0	0	0	110.7	K135	K135-A137 PolarHBondContact O-N 2.95Å; K135-A137 VanDerWaalsContact O-N 3.17Å
138	G	33.7	Very low	36.1	Very low	80 Å²	80	143.5 Å²	143.5	83%	0.825	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.7	1.3	150.6	0	0	0	0	0	119
139	T	41.9	Very low	36.7	Very low	111 Å²	111	139 Å²	139	68%	0.681	75%	0.748	S	S	*	*			trans	-123.3	116	173.5	52.6	0	0	0	0	112.5	Q141	T139-Q141 PolarHBondContact O-N 3.44Å
140	K	38.3	Very low	37.6	Very low	222 Å²	222	136.1 Å²	136.1	97%	0.965	74%	0.739	S	S	*	*			trans	-68.6	66.8	169.1	-66.3	-179.5	-179.9	178.3	0	109.6
141	Q	41.1	Very low	38.2	Very low	146 Å²	146	131.7 Å²	131.7	68%	0.682	72%	0.716	S	S	*	*			trans	-93.5	118.5	165.5	-79.5	-172.9	-1.4	0	0	108.3	T139 A143	T139-Q141 PolarHBondContact O-N 3.44Å; Q141-A143 PolarHBondContact O-N 3.4Å
142	A	34.6	Very low	39.1	Very low	99 Å²	99	122.6 Å²	122.6	82%	0.818	69%	0.692	S	S	*	*			trans	-49.8	115.5	176.1	0	0	0	0	0	109.7
143	A	36.2	Very low	40.1	Very low	82 Å²	82	121.3 Å²	121.3	68%	0.678	68%	0.679	S	S	*	*			trans	-52.8	129.2	174.4	0	0	0	0	0	108.8	Q141 K145	Q141-A143 PolarHBondContact O-N 3.4Å; A143-K145 PolarHBondContact O-N 2.88Å
144	P	41.1	Very low	40.8	Very low	88 Å²	88	117.9 Å²	117.9	57%	0.571	66%	0.663	S	S	*	*			trans	-65.4	103.7	-177.7	24.2	-32.2	0	0	0	109.4	H146 V147	P144-H146 PolarHBondContact O-N 2.97Å; P144-V147 HydrophobicContact CB-CG2 4.05Å; P144-V147 HydrophobicContact CG-CG2 3.6Å; P144-V147 PolarHBondContact O-N 3.29Å; P144-V147 VanDerWaalsContact O-N 3.16Å
145	K	42.7	Very low	41.6	Very low	202 Å²	202	117.6 Å²	117.6	88%	0.878	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-7.5	174.2	-66.6	-176.9	178.4	-178.5	0	113.8	A143	A143-K145 PolarHBondContact O-N 2.88Å
146	H	39.2	Very low	42.7	Very low	144 Å²	144	112.7 Å²	112.7	67%	0.667	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-21.1	179.9	-90.9	-63.4	0	0	0	115.9	P144 A149 I150	P144-H146 PolarHBondContact O-N 2.97Å; H146-A149 PolarHBondContact O-N 2.99Å; H146-I150 PolarHBondContact O-N 3.09Å
147	V	35.1	Very low	43.6	Very low	89 Å²	89	105.3 Å²	105.3	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-63.3	-39	-177.3	178.3	0	0	0	0	112.9	P144 A149 L151	P144-V147 HydrophobicContact CB-CG2 4.05Å; P144-V147 HydrophobicContact CG-CG2 3.6Å; P144-V147 PolarHBondContact O-N 3.29Å; P144-V147 VanDerWaalsContact O-N 3.16Å; V147-A149 VanDerWaalsContact C-N 3.33Å; V147-A149 PolarHBondContact O-N 2.91Å; V147-L151 WeakPolarHBondContact O-CB 3.45Å; V147-L151 PolarHBondContact O-N 2.93Å
148	P	44.9	Very low	44.6	Very low	87 Å²	87	103.9 Å²	103.9	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-62.9	-36.7	177.3	-22.2	33.3	0	0	0	113.4	A152	P148-A152 VanDerWaalsContact O-CB 3.26Å; P148-A152 WeakPolarHBondContact O-CB 3.46Å; P148-A152 PolarHBondContact O-N 2.92Å
149	A	43.1	Very low	45.9	Very low	52 Å²	52	108.4 Å²	108.4	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-73.1	-36.7	-175.7	0	0	0	0	0	113.1	H146 V147 R153	H146-A149 PolarHBondContact O-N 2.99Å; V147-A149 VanDerWaalsContact C-N 3.33Å; V147-A149 PolarHBondContact O-N 2.91Å; A149-R153 WeakPolarHBondContact O-CG 3.43Å; A149-R153 PolarHBondContact O-N 3.38Å
150	I	45.1	Very low	46.9	Very low	99 Å²	99	103.5 Å²	103.5	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-70.9	-43.8	176.6	-63.2	172	0	0	0	109.8	H146 R153 Q154	H146-I150 PolarHBondContact O-N 3.09Å; I150-R153 PolarHBondContact O-N 2.91Å; I150-Q154 PolarHBondContact O-N 3.15Å
151	L	44.9	Very low	47.9	Very low	63 Å²	63	96.1 Å²	96.1	33%	0.33	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-44.7	176.9	-169.4	73.2	0	0	0	111.5	V147 R153 Q154 M155	V147-L151 WeakPolarHBondContact O-CB 3.45Å; V147-L151 PolarHBondContact O-N 2.93Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 3.4Å; L151-Q154 PolarHBondContact O-N 3.5Å; L151-M155 WeakPolarHBondContact O-CG 3.37Å; L151-M155 PolarHBondContact O-N 3.36Å
152	A	48.4	Very low	48.9	Very low	46 Å²	46	94.8 Å²	94.8	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-58.4	-41.2	176.6	0	0	0	0	0	112.4	P148 M155 Q156	P148-A152 VanDerWaalsContact O-CB 3.26Å; P148-A152 WeakPolarHBondContact O-CB 3.46Å; P148-A152 PolarHBondContact O-N 2.92Å; A152-M155 PolarHBondContact O-N 2.9Å; A152-Q156 WeakPolarHBondContact O-CG 3.16Å; A152-Q156 PolarHBondContact O-N 3.37Å
153	R	52.3	Low	50.6	Low	153 Å²	153	95.2 Å²	95.2	58%	0.577	49%	0.486	S	S	*	.	H	α-helix	trans	-67.6	-39.6	175.6	-77	-177.7	178.2	-172.9	0	112.9	A149 I150 L151 M155 Q156 L157	A149-R153 WeakPolarHBondContact O-CG 3.43Å; A149-R153 PolarHBondContact O-N 3.38Å; I150-R153 PolarHBondContact O-N 2.91Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 3.4Å; R153-M155 VanDerWaalsContact C-N 3.35Å; R153-Q156 PolarHBondContact O-N 3.01Å; R153-L157 PolarHBondContact O-N 3.47Å
154	Q	51.4	Low	51.9	Low	102 Å²	102	92.7 Å²	92.7	48%	0.477	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-41.5	174.6	-75.4	-178.1	-22.9	0	0	111.3	I150 L151 Q156 L157 V158	I150-Q154 PolarHBondContact O-N 3.15Å; L151-Q154 PolarHBondContact O-N 3.5Å; Q154-Q156 VanDerWaalsContact C-N 3.35Å; Q154-Q156 PolarHBondContact O-N 3.21Å; Q154-L157 WeakPolarHBondContact O-CB 3.42Å; Q154-L157 PolarHBondContact O-N 2.82Å; Q154-V158 WeakPolarHBondContact O-CG2 3.37Å; Q154-V158 PolarHBondContact O-N 3.41Å
155	M	51.2	Low	52.9	Low	106 Å²	106	91.3 Å²	91.3	52%	0.522	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-39.1	174.7	-67.9	-175.3	103	0	0	112.2	L151 A152 R153 V158 R159	L151-M155 WeakPolarHBondContact O-CG 3.37Å; L151-M155 PolarHBondContact O-N 3.36Å; A152-M155 PolarHBondContact O-N 2.9Å; R153-M155 VanDerWaalsContact C-N 3.35Å; M155-V158 PolarHBondContact O-N 3.11Å; M155-R159 WeakPolarHBondContact O-CG 3.16Å; M155-R159 PolarHBondContact O-N 3.36Å
156	Q	58.3	Low	53.9	Low	112 Å²	112	90 Å²	90	52%	0.523	45%	0.454	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173	-75.7	174.2	-12.5	0	0	112	M73 A152 R153 Q154 V158 R159 A160	M73-Q156 HydrophobicContact CE-CB 4.03Å; M73-Q156 HydrophobicContact SD-CB 4.35Å; A152-Q156 WeakPolarHBondContact O-CG 3.16Å; A152-Q156 PolarHBondContact O-N 3.37Å; R153-Q156 PolarHBondContact O-N 3.01Å; Q154-Q156 VanDerWaalsContact C-N 3.35Å; Q154-Q156 PolarHBondContact O-N 3.21Å; Q156-V158 PolarHBondContact O-N 3.38Å; Q156-R159 PolarHBondContact O-N 3.5Å; Q156-A160 WeakPolarHBondContact O-CB 3.49Å; Q156-A160 PolarHBondContact O-N 2.7Å
157	L	58.5	Low	55.1	Low	27 Å²	27	87.2 Å²	87.2	14%	0.141	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-44	176.5	-171.2	103.2	0	0	0	111.8	M73 R153 Q154 A160 R161	M73-L157 HydrophobicContact CE-CB 4.43Å; R153-L157 PolarHBondContact O-N 3.47Å; Q154-L157 WeakPolarHBondContact O-CB 3.42Å; Q154-L157 PolarHBondContact O-N 2.82Å; L157-A160 PolarHBondContact O-N 3.42Å; L157-R161 WeakPolarHBondContact O-CG 3.43Å; L157-R161 PolarHBondContact O-N 2.99Å
158	V	55.4	Low	56.3	Low	72 Å²	72	87 Å²	87	44%	0.436	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-47.5	177.2	172	0	0	0	0	110.7	Q154 M155 Q156 A160 R161 E162	Q154-V158 WeakPolarHBondContact O-CG2 3.37Å; Q154-V158 PolarHBondContact O-N 3.41Å; M155-V158 PolarHBondContact O-N 3.11Å; Q156-V158 PolarHBondContact O-N 3.38Å; V158-A160 VanDerWaalsContact C-N 3.33Å; V158-A160 PolarHBondContact O-N 2.93Å; V158-R161 WeakPolarHBondContact O-CB 3.28Å; V158-R161 PolarHBondContact O-N 2.69Å; V158-R161 VanDerWaalsContact O-N 3.15Å; V158-E162 WeakPolarHBondContact O-CG 3.35Å; V158-E162 PolarHBondContact O-N 3.4Å
159	R	60.5	Low	56.8	Low	175 Å²	175	84.9 Å²	84.9	66%	0.66	43%	0.429	S	S	*	.	H	α-helix	trans	-61.2	-39.9	176.7	-72.8	179	179.8	-176.2	0.4	112.6	M155 Q156 E162 K163	M155-R159 WeakPolarHBondContact O-CG 3.16Å; M155-R159 PolarHBondContact O-N 3.36Å; Q156-R159 PolarHBondContact O-N 3.5Å; R159-E162 PolarHBondContact O-N 2.9Å; R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.42Å
160	A	62.7	Low	57.3	Low	7 Å²	7	83.4 Å²	83.4	6%	0.058	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-44.8	174.8	0	0	0	0	0	110.9	V69 M73 Q156 L157 V158 E162 K163 W164	V69-A160 HydrophobicContact CG1-CB 4.16Å; M73-A160 HydrophobicContact SD-CB 4.29Å; Q156-A160 WeakPolarHBondContact O-CB 3.49Å; Q156-A160 PolarHBondContact O-N 2.7Å; L157-A160 PolarHBondContact O-N 3.42Å; V158-A160 VanDerWaalsContact C-N 3.33Å; V158-A160 PolarHBondContact O-N 2.93Å; A160-E162 PolarHBondContact O-N 3.45Å; A160-K163 WeakPolarHBondContact O-CB 3.39Å; A160-K163 PolarHBondContact O-N 2.92Å; A160-W164 PolarHBondContact O-N 3.22Å
161	R	59.7	Low	57.7	Low	68 Å²	68	81.9 Å²	81.9	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-59.6	-45.1	175.5	-76	179.7	173.4	161.9	5.2	112.3	D32 V69 L157 V158 W164 A165	D32-R161 IonicContact OD1-CZ 2.74Å; D32-R161 IonicContact OD1-NH2 3.96Å; D32-R161 PolarHBondContact OD1-NH2 3.41Å; D32-R161 IonicContact OD2-NH2 3.85Å; V69-R161 HydrophobicContact CG1-CG 4.32Å; V69-R161 HydrophobicContact CG2-CG 4.25Å; L157-R161 WeakPolarHBondContact O-CG 3.43Å; L157-R161 PolarHBondContact O-N 2.99Å; V158-R161 WeakPolarHBondContact O-CB 3.28Å; V158-R161 PolarHBondContact O-N 2.69Å; V158-R161 VanDerWaalsContact O-N 3.15Å; R161-W164 PolarHBondContact O-N 2.87Å; R161-A165 VanDerWaalsContact O-CB 3.25Å; R161-A165 WeakPolarHBondContact O-CB 3.35Å; R161-A165 PolarHBondContact O-N 3.3Å
162	E	62.4	Low	58.1	Low	117 Å²	117	81.3 Å²	81.3	55%	0.547	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-46.6	176.6	-72.6	172.6	170.7	0	0	111.6	V158 R159 A160 W164 A165 M166	V158-E162 WeakPolarHBondContact O-CG 3.35Å; V158-E162 PolarHBondContact O-N 3.4Å; R159-E162 PolarHBondContact O-N 2.9Å; A160-E162 PolarHBondContact O-N 3.45Å; E162-W164 VanDerWaalsContact C-N 3.32Å; E162-W164 PolarHBondContact O-N 3.28Å; E162-A165 PolarHBondContact O-N 3.34Å; E162-M166 WeakPolarHBondContact O-CG 3.49Å; E162-M166 PolarHBondContact O-N 3.27Å
163	K	68.9	Low	58.2	Low	108 Å²	108	79.5 Å²	79.5	47%	0.47	40%	0.396	S	S	.	.	H	α-helix	trans	-56.9	-42.7	176.4	-179.6	-177.5	176.1	-175.8	0	112.5	E72 R159 A160	E72-K163 IonicContact OE1-NZ 2.69Å; E72-K163 PolarHBondContact OE1-NZ 2.95Å; E72-K163 IonicContact OE2-NZ 3.78Å; R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.42Å; A160-K163 WeakPolarHBondContact O-CB 3.39Å; A160-K163 PolarHBondContact O-N 2.92Å
164	W	63.3	Low	58	Low	30 Å²	30	78.8 Å²	78.8	11%	0.114	40%	0.403	C	S	.	.	H	α-helix	trans	-80.6	-26.7	178.6	-74.1	103.2	0	0	0	113.6	N68 V69 E72 A160 R161 E162 M166 K167 D172	N68-W164 HydrophobicContact CB-CD2 3.7Å; N68-W164 HydrophobicContact CB-CE3 3.73Å; N68-W164 HydrophobicContact CB-CG 4.45Å; N68-W164 HydrophobicContact CB-CH2 3.7Å; N68-W164 HydrophobicContact CB-CZ2 3.68Å; N68-W164 HydrophobicContact CB-CZ3 3.75Å; N68-W164 WeakPolarHBondContact ND2-CZ3 3.43Å; V69-W164 HydrophobicContact CG2-CB 4.07Å; V69-W164 HydrophobicContact CG2-CG 3.97Å; E72-W164 PolarHBondContact OE2-NE1 3.17Å; A160-W164 PolarHBondContact O-N 3.22Å; R161-W164 PolarHBondContact O-N 2.87Å; E162-W164 VanDerWaalsContact C-N 3.32Å; E162-W164 PolarHBondContact O-N 3.28Å; W164-M166 VanDerWaalsContact C-N 3.29Å; W164-K167 HydrophobicContact CD2-CD 4.15Å; W164-K167 HydrophobicContact CE3-CD 3.41Å; W164-K167 VanDerWaalsContact CE3-CD 3.41Å; W164-K167 HydrophobicContact CH2-CD 4.2Å; W164-K167 HydrophobicContact CZ3-CD 3.43Å; W164-K167 VanDerWaalsContact CZ3-CD 3.43Å; W164-K167 PolarHBondContact O-N 2.9Å; W164-D172 WeakPolarHBondContact CZ3-OD2 3.47Å
165	A	62.5	Low	57.9	Low	58 Å²	58	77.5 Å²	77.5	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-35.5	172.6	0	0	0	0	0	111.7	R65 R161 E162 K167	R65-A165 PolarHBondContact NH2-O 2.98Å; R65-A165 VanDerWaalsContact NH2-O 3.08Å; R161-A165 VanDerWaalsContact O-CB 3.25Å; R161-A165 WeakPolarHBondContact O-CB 3.35Å; R161-A165 PolarHBondContact O-N 3.3Å; E162-A165 PolarHBondContact O-N 3.34Å; A165-K167 VanDerWaalsContact C-N 3.34Å
166	M	64.6	Low	57.7	Low	174 Å²	174	74.7 Å²	74.7	86%	0.857	39%	0.39	S	S	*	.	S	Bend	trans	-72.4	-20.2	176	-73.3	-157	66	0	0	114.5	E162 W164	E162-M166 WeakPolarHBondContact O-CG 3.49Å; E162-M166 PolarHBondContact O-N 3.27Å; W164-M166 VanDerWaalsContact C-N 3.29Å
167	K	64.4	Low	57.1	Low	87 Å²	87	73.9 Å²	73.9	38%	0.378	39%	0.393	S	S	.	.	S	Bend	trans	-76.4	141.9	173.9	-72.1	179.4	177.7	-174.3	0	110.3	R65 W164 A165	R65-K167 PolarHBondContact NH2-O 3.4Å; W164-K167 HydrophobicContact CD2-CD 4.15Å; W164-K167 HydrophobicContact CE3-CD 3.41Å; W164-K167 VanDerWaalsContact CE3-CD 3.41Å; W164-K167 HydrophobicContact CH2-CD 4.2Å; W164-K167 HydrophobicContact CZ3-CD 3.43Å; W164-K167 VanDerWaalsContact CZ3-CD 3.43Å; W164-K167 PolarHBondContact O-N 2.9Å; A165-K167 VanDerWaalsContact C-N 3.34Å
168	S	60	Low	56.5	Low	84 Å²	84	81.3 Å²	81.3	59%	0.587	42%	0.424	S	S	*	.			trans	-48.8	128	176	177.8	0	0	0	0	109.8	C170	S168-C170 PolarHBondContact O-N 3.08Å
169	P	55.1	Low	56.2	Low	42 Å²	42	83.8 Å²	83.8	27%	0.273	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.7	-166.5	18.1	-29.6	0	0	0	114.3	C61	C61-P169 HydrophobicContact CB-CB 4.21Å; C61-P169 WeakPolarHBondContact CB-O 3.36Å; C61-P169 PolarHBondContact SG-O 3.49Å
170	C	54.4	Low	55.8	Low	21 Å²	21	76.7 Å²	76.7	14%	0.142	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	11	-163.5	-54	0	0	0	0	114.9	F57 C61 S168 D172 A173 L174	F57-C170 HydrophobicContact CE1-CB 3.75Å; F57-C170 WeakPolarHBondContact CE1-SG 3.4Å; F57-C170 HydrophobicContact CZ-CB 3.52Å; F57-C170 VanDerWaalsContact CZ-SG 3.58Å; C61-C170 WeakPolarHBondContact CB-SG 3.29Å; C61-C170 WeakPolarHBondContact SG-CB 3.43Å; C61-C170 CovalentContact SG-SG 2.07Å; C61-C170 PolarHBondContact SG-SG 3.16Å; S168-C170 PolarHBondContact O-N 3.08Å; C170-D172 PolarHBondContact O-N 2.69Å; C170-A173 HydrophobicContact CB-CB 4.16Å; C170-A173 PolarHBondContact O-N 3.03Å; C170-L174 PolarHBondContact O-N 3.35Å
171	S	53	Low	55.3	Low	68 Å²	68	85.2 Å²	85.2	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-38	169.3	65.6	0	0	0	0	111.2
172	D	53.1	Low	54.9	Low	51 Å²	51	85 Å²	85	27%	0.273	46%	0.458	S	S	.	.	H	α-helix	trans	-90.5	-20.4	-177.6	-62.3	-1.6	0	0	0	112.3	V64 N68 W164 C170 S175 F176	V64-D172 HydrophobicContact CG1-CB 3.85Å; N68-D172 PolarHBondContact ND2-OD2 3.39Å; W164-D172 WeakPolarHBondContact CZ3-OD2 3.47Å; C170-D172 PolarHBondContact O-N 2.69Å; D172-S175 WeakPolarHBondContact CA-OG 3.02Å; D172-S175 PolarHBondContact O-N 3.31Å; D172-S175 PolarHBondContact O-OG 3.31Å; D172-S175 VanDerWaalsContact O-OG 3.08Å; D172-F176 PolarHBondContact O-N 3.47Å
173	A	49.8	Very low	54.2	Low	8 Å²	8	84 Å²	84	7%	0.066	45%	0.45	C	S	.	.	H	α-helix	trans	-72.3	-33.8	177.6	0	0	0	0	0	111.9	C61 V64 C170 F176	C61-A173 HydrophobicContact CB-CB 4.42Å; C61-A173 WeakPolarHBondContact SG-CB 3.38Å; V64-A173 HydrophobicContact CG2-CB 4.44Å; C170-A173 HydrophobicContact CB-CB 4.16Å; C170-A173 PolarHBondContact O-N 3.03Å; A173-F176 WeakPolarHBondContact O-CB 3.27Å; A173-F176 PolarHBondContact O-N 3.22Å
174	L	49.6	Very low	53.4	Low	138 Å²	138	85.1 Å²	85.1	72%	0.723	46%	0.46	S	S	*	.	H	α-helix	trans	-75	-27.3	175.6	-67.6	170.3	0	0	0	112.5	F57 C170	F57-L174 HydrophobicContact CE2-CD2 4.26Å; C170-L174 PolarHBondContact O-N 3.35Å
175	S	47.7	Very low	52.9	Low	75 Å²	75	86.6 Å²	86.6	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-87	-5.1	172.8	61.9	0	0	0	0	113.6	D172 T177	D172-S175 WeakPolarHBondContact CA-OG 3.02Å; D172-S175 PolarHBondContact O-N 3.31Å; D172-S175 PolarHBondContact O-OG 3.31Å; D172-S175 VanDerWaalsContact O-OG 3.08Å; S175-T177 PolarHBondContact O-N 3.44Å
176	F	48	Very low	52.2	Low	46 Å²	46	84.8 Å²	84.8	20%	0.202	45%	0.453	C	S	.	.	S	Bend	trans	-69.4	75.8	164.4	-130.4	-100.1	0	0	0	109	V64 D172 A173 S180	V64-F176 HydrophobicContact CG1-CD2 4.24Å; V64-F176 HydrophobicContact CG2-CB 4.37Å; V64-F176 HydrophobicContact CG2-CD2 3.89Å; V64-F176 HydrophobicContact CG2-CE2 4.3Å; V64-F176 HydrophobicContact CG2-CG 4.03Å; D172-F176 PolarHBondContact O-N 3.47Å; A173-F176 WeakPolarHBondContact O-CB 3.27Å; A173-F176 PolarHBondContact O-N 3.22Å; F176-S180 WeakPolarHBondContact CD1-OG 3.25Å; F176-S180 WeakPolarHBondContact CE1-OG 3.5Å
177	T	44.7	Very low	51.7	Low	95 Å²	95	79.3 Å²	79.3	58%	0.583	43%	0.429	S	S	*	.			trans	-49.9	147.3	-177.5	40.7	0	0	0	0	111.6	S175 T179 S180	S175-T177 PolarHBondContact O-N 3.44Å; T177-T179 PolarHBondContact O-N 3.09Å; T177-S180 PolarHBondContact O-N 3.22Å
178	K	46.6	Very low	51.1	Low	183 Å²	183	77.4 Å²	77.4	80%	0.796	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	1.3	-175.5	-82	175.2	172.4	177	0	116.8
179	T	49.1	Very low	50.6	Low	124 Å²	124	76.5 Å²	76.5	76%	0.761	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-7.9	-168.5	51.9	0	0	0	0	114.8	T177 K181	T177-T179 PolarHBondContact O-N 3.09Å; T179-K181 PolarHBondContact O-N 2.8Å
180	S	51.7	Low	50.4	Low	27 Å²	27	75.7 Å²	75.7	19%	0.189	41%	0.409	C	S	.	.			trans	-77.2	123.8	177.9	77.3	0	0	0	0	110.9	F176 T177 T182 R183	F176-S180 WeakPolarHBondContact CD1-OG 3.25Å; F176-S180 WeakPolarHBondContact CE1-OG 3.5Å; T177-S180 PolarHBondContact O-N 3.22Å; S180-T182 PolarHBondContact O-N 2.99Å; S180-R183 PolarHBondContact O-N 3.43Å; S180-R183 PolarHBondContact OG-N 3.47Å
181	K	53	Low	50.2	Low	186 Å²	186	78.4 Å²	78.4	81%	0.809	43%	0.425	S	S	*	.	H	α-helix	trans	-48.5	-25.6	168.1	-69.8	179.5	177	179	0	111.9	T179 L185	T179-K181 PolarHBondContact O-N 2.8Å; K181-L185 WeakPolarHBondContact O-CB 3.5Å; K181-L185 PolarHBondContact O-N 2.94Å
182	T	50.5	Low	50.2	Low	62 Å²	62	83 Å²	83	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-43	174.3	-29.1	0	0	0	0	113.1	S180 L185 N186	S180-T182 PolarHBondContact O-N 2.99Å; T182-L185 PolarHBondContact O-N 3.11Å; T182-N186 WeakPolarHBondContact O-CB 3.36Å; T182-N186 PolarHBondContact O-N 3.4Å; T182-N186 PolarHBondContact O-ND2 3.47Å; T182-N186 PolarHBondContact O-OD1 3.43Å
183	R	47.5	Very low	49.9	Very low	96 Å²	96	87.7 Å²	87.7	36%	0.362	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-45.6	178	-174.7	178.5	173.6	175.6	-0	111.6	S180 L185 N186 V187	S180-R183 PolarHBondContact O-N 3.43Å; S180-R183 PolarHBondContact OG-N 3.47Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 PolarHBondContact O-N 2.97Å; R183-N186 PolarHBondContact O-N 3.08Å; R183-V187 VanDerWaalsContact O-CG2 3.3Å; R183-V187 WeakPolarHBondContact O-CG2 3.14Å; R183-V187 PolarHBondContact O-N 3.3Å
184	L	52.3	Low	49.7	Very low	132 Å²	132	91.2 Å²	91.2	69%	0.691	46%	0.462	S	S	*	.	H	α-helix	trans	-61.1	-40.6	176.1	-73.8	168.6	0	0	0	111.6	V187 A188	L184-V187 PolarHBondContact O-N 2.81Å; L184-A188 WeakPolarHBondContact O-CB 3.37Å; L184-A188 PolarHBondContact O-N 3.48Å
185	L	52.7	Low	49.4	Very low	62 Å²	62	88.5 Å²	88.5	33%	0.325	46%	0.455	S	S	.	.	H	α-helix	trans	-65.3	-43	176.2	-170.7	71.5	0	0	0	112	I81 T83 K181 T182 R183 V187 A188 I189	I81-L185 HydrophobicContact CG2-CD2 4.46Å; T83-L185 HydrophobicContact CG2-CD1 4.37Å; K181-L185 WeakPolarHBondContact O-CB 3.5Å; K181-L185 PolarHBondContact O-N 2.94Å; T182-L185 PolarHBondContact O-N 3.11Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 PolarHBondContact O-N 2.97Å; L185-V187 PolarHBondContact O-N 2.76Å; L185-A188 PolarHBondContact O-N 3.06Å; L185-I189 HydrophobicContact CG-CD1 4.1Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.16Å; L185-I189 PolarHBondContact O-N 3.3Å
186	N	49.5	Very low	49.3	Very low	20 Å²	20	92.2 Å²	92.2	11%	0.107	46%	0.464	C	S	.	.	H	α-helix	trans	-62.2	-43	177	-67.8	-11.1	0	0	0	111.1	F56 D60 L63 T182 R183 I189 F190	F56-N186 HydrophobicContact CE2-CB 4.15Å; F56-N186 HydrophobicContact CZ-CB 4.4Å; D60-N186 PolarHBondContact OD1-ND2 3.38Å; L63-N186 HydrophobicContact CD1-CB 4.31Å; L63-N186 WeakPolarHBondContact CD1-ND2 3.2Å; L63-N186 WeakPolarHBondContact CD1-OD1 3.15Å; T182-N186 WeakPolarHBondContact O-CB 3.36Å; T182-N186 PolarHBondContact O-N 3.4Å; T182-N186 PolarHBondContact O-ND2 3.47Å; T182-N186 PolarHBondContact O-OD1 3.43Å; R183-N186 PolarHBondContact O-N 3.08Å; N186-I189 PolarHBondContact O-N 2.07Å; N186-F190 WeakPolarHBondContact O-CB 3.23Å; N186-F190 PolarHBondContact O-N 3.48Å
187	V	52.4	Low	49.2	Very low	59 Å²	59	94.3 Å²	94.3	36%	0.358	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-42.4	174.9	173.3	0	0	0	0	111	F56 R183 L184 L185 F190 T191	F56-V187 HydrophobicContact CE1-CG2 4.16Å; F56-V187 HydrophobicContact CE2-CB 4.23Å; F56-V187 HydrophobicContact CE2-CG2 3.58Å; F56-V187 HydrophobicContact CZ-CB 4.43Å; F56-V187 HydrophobicContact CZ-CG2 3.35Å; R183-V187 VanDerWaalsContact O-CG2 3.3Å; R183-V187 WeakPolarHBondContact O-CG2 3.14Å; R183-V187 PolarHBondContact O-N 3.3Å; L184-V187 PolarHBondContact O-N 2.81Å; L185-V187 PolarHBondContact O-N 2.76Å; V187-F190 PolarHBondContact O-N 3.34Å; V187-T191 HydrophobicContact CG1-CG2 4.45Å; V187-T191 WeakPolarHBondContact O-CB 3.31Å; V187-T191 WeakPolarHBondContact O-CG2 3.46Å; V187-T191 PolarHBondContact O-N 3.01Å; V187-T191 PolarHBondContact O-OG1 3.47Å
188	A	52.7	Low	49.1	Very low	47 Å²	47	96.8 Å²	96.8	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-39.3	178.9	0	0	0	0	0	112.7	L184 L185 T191 K192	L184-A188 WeakPolarHBondContact O-CB 3.37Å; L184-A188 PolarHBondContact O-N 3.48Å; L185-A188 PolarHBondContact O-N 3.06Å; A188-T191 WeakPolarHBondContact CA-OG1 2.97Å; A188-T191 PolarHBondContact O-OG1 3.36Å; A188-K192 WeakPolarHBondContact O-CB 3.42Å; A188-K192 PolarHBondContact O-N 2.91Å
189	I	50.1	Low	48.9	Very low	64 Å²	64	97.1 Å²	97.1	33%	0.328	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.7	-69.1	166.6	0	0	0	110.4	L185 N186 R193	L185-I189 HydrophobicContact CG-CD1 4.1Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.16Å; L185-I189 PolarHBondContact O-N 3.3Å; N186-I189 PolarHBondContact O-N 2.07Å; I189-R193 PolarHBondContact O-N 2.91Å; I189-R193 VanDerWaalsContact O-N 3.11Å
190	F	49.1	Very low	48.6	Very low	26 Å²	26	96.9 Å²	96.9	11%	0.114	49%	0.494	C	S	.	.	H	α-helix	trans	-65.9	-46.8	179.6	-167.3	-91.3	0	0	0	111.7	S52 R55 F56 N186 V187 R193 Y194	S52-F190 WeakPolarHBondContact O-CE1 3.5Å; S52-F190 VanDerWaalsContact O-CZ 3.28Å; S52-F190 WeakPolarHBondContact O-CZ 3.46Å; R55-F190 HydrophobicContact CB-CE2 4.08Å; R55-F190 HydrophobicContact CB-CZ 3.89Å; F56-F190 HydrophobicContact CB-CD1 4.33Å; F56-F190 HydrophobicContact CB-CD2 4.37Å; F56-F190 HydrophobicContact CB-CE1 4.27Å; F56-F190 HydrophobicContact CB-CE2 4.31Å; F56-F190 HydrophobicContact CB-CG 4.39Å; F56-F190 HydrophobicContact CB-CZ 4.26Å; F56-F190 HydrophobicContact CD2-CB 3.9Å; F56-F190 HydrophobicContact CD2-CD1 4.34Å; F56-F190 HydrophobicContact CD2-CD2 4.27Å; F56-F190 AromaticContact CD2-CG 3.91Å; F56-F190 HydrophobicContact CD2-CG 3.91Å; F56-F190 HydrophobicContact CE2-CB 4.44Å; N186-F190 WeakPolarHBondContact O-CB 3.23Å; N186-F190 PolarHBondContact O-N 3.48Å; V187-F190 PolarHBondContact O-N 3.34Å; F190-R193 PolarHBondContact O-N 2.72Å; F190-Y194 HydrophobicContact CD1-CD2 4.24Å; F190-Y194 AromaticContact CD2-CD2 3.89Å; F190-Y194 HydrophobicContact CD2-CD2 3.89Å; F190-Y194 AromaticContact CD2-CE2 3.95Å; F190-Y194 HydrophobicContact CD2-CE2 3.95Å; F190-Y194 HydrophobicContact CE1-CD2 4.05Å; F190-Y194 HydrophobicContact CE1-CG 4.38Å; F190-Y194 AromaticContact CE2-CD2 3.7Å; F190-Y194 HydrophobicContact CE2-CD2 3.7Å; F190-Y194 AromaticContact CE2-CE2 3.57Å; F190-Y194 HydrophobicContact CE2-CE2 3.57Å; F190-Y194 HydrophobicContact CG-CD2 4.15Å; F190-Y194 AromaticContact CZ-CD2 3.78Å; F190-Y194 HydrophobicContact CZ-CD2 3.78Å; F190-Y194 AromaticContact CZ-CE2 3.97Å; F190-Y194 HydrophobicContact CZ-CE2 3.97Å; F190-Y194 HydrophobicContact CZ-CG 4.29Å; F190-Y194 WeakPolarHBondContact O-CB 3.49Å; F190-Y194 WeakPolarHBondContact O-CD2 3.46Å; F190-Y194 PolarHBondContact O-N 3.27Å
191	T	51.7	Low	48	Very low	77 Å²	77	101.5 Å²	101.5	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-39.4	177.6	44.8	0	0	0	0	112.8	V187 A188 R193 S195	V187-T191 HydrophobicContact CG1-CG2 4.45Å; V187-T191 WeakPolarHBondContact O-CB 3.31Å; V187-T191 WeakPolarHBondContact O-CG2 3.46Å; V187-T191 PolarHBondContact O-N 3.01Å; V187-T191 PolarHBondContact O-OG1 3.47Å; A188-T191 WeakPolarHBondContact CA-OG1 2.97Å; A188-T191 PolarHBondContact O-OG1 3.36Å; T191-R193 PolarHBondContact O-N 3.33Å; T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 3.46Å; T191-S195 PolarHBondContact O-OG 3.15Å; T191-S195 VanDerWaalsContact O-OG 3.08Å
192	K	51.5	Low	47.4	Very low	164 Å²	164	102.4 Å²	102.4	71%	0.713	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-40	174.4	-86.8	-164.4	174.6	-173.1	0	113.3	A188	A188-K192 WeakPolarHBondContact O-CB 3.42Å; A188-K192 PolarHBondContact O-N 2.91Å
193	R	47.3	Very low	46.7	Very low	151 Å²	151	107.9 Å²	107.9	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-77.8	-31.7	-179	-75.1	-171.2	175.8	-161	0	113.4	I189 F190 T191	I189-R193 PolarHBondContact O-N 2.91Å; I189-R193 VanDerWaalsContact O-N 3.11Å; F190-R193 PolarHBondContact O-N 2.72Å; T191-R193 PolarHBondContact O-N 3.33Å
194	Y	46.3	Very low	46.7	Very low	81 Å²	81	108.5 Å²	108.5	32%	0.318	59%	0.589	S	S	.	*	H	α-helix	trans	-101	-10.6	-176.7	-75.1	-83.2	0	0	0	114.9	F190 H196 S197	F190-Y194 HydrophobicContact CD1-CD2 4.24Å; F190-Y194 AromaticContact CD2-CD2 3.89Å; F190-Y194 HydrophobicContact CD2-CD2 3.89Å; F190-Y194 AromaticContact CD2-CE2 3.95Å; F190-Y194 HydrophobicContact CD2-CE2 3.95Å; F190-Y194 HydrophobicContact CE1-CD2 4.05Å; F190-Y194 HydrophobicContact CE1-CG 4.38Å; F190-Y194 AromaticContact CE2-CD2 3.7Å; F190-Y194 HydrophobicContact CE2-CD2 3.7Å; F190-Y194 AromaticContact CE2-CE2 3.57Å; F190-Y194 HydrophobicContact CE2-CE2 3.57Å; F190-Y194 HydrophobicContact CG-CD2 4.15Å; F190-Y194 AromaticContact CZ-CD2 3.78Å; F190-Y194 HydrophobicContact CZ-CD2 3.78Å; F190-Y194 AromaticContact CZ-CE2 3.97Å; F190-Y194 HydrophobicContact CZ-CE2 3.97Å; F190-Y194 HydrophobicContact CZ-CG 4.29Å; F190-Y194 WeakPolarHBondContact O-CB 3.49Å; F190-Y194 WeakPolarHBondContact O-CD2 3.46Å; F190-Y194 PolarHBondContact O-N 3.27Å; Y194-H196 PolarHBondContact O-N 3.08Å; Y194-S197 PolarHBondContact O-N 3.06Å
195	S	43	Very low	46.4	Very low	81 Å²	81	107.2 Å²	107.2	57%	0.566	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-70.2	-8.3	173.5	69.8	0	0	0	0	114.2	T191	T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 3.46Å; T191-S195 PolarHBondContact O-OG 3.15Å; T191-S195 VanDerWaalsContact O-OG 3.08Å
196	H	45.3	Very low	46	Very low	154 Å²	154	109.7 Å²	109.7	71%	0.713	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-86	0.3	173.8	-68.2	-54.5	0	0	0	114.4	Y194	Y194-H196 PolarHBondContact O-N 3.08Å
197	S	45.7	Very low	45.8	Very low	90 Å²	90	115 Å²	115	63%	0.629	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-90.1	8.3	179.4	91.4	0	0	0	0	115.4	Y194	Y194-S197 PolarHBondContact O-N 3.06Å
198	N	43.3	Very low	45.4	Very low	147 Å²	147	118.5 Å²	118.5	79%	0.786	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-99.7	16.7	174.5	-81	1	0	0	0	113.7	T200	N198-T200 PolarHBondContact O-N 3.43Å; N198-T200 VanDerWaalsContact O-N 3.09Å
199	K	42.8	Very low	44.9	Very low	190 Å²	190	123.3 Å²	123.3	83%	0.826	66%	0.661	S	S	*	*			trans	-77.9	87.9	155.9	-72.9	-170.6	179.6	-176.7	0	107.3
200	T	42	Very low	44.5	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-46.3	130	154.1	29.1	0	0	0	0	107.9	N198 K202	N198-T200 PolarHBondContact O-N 3.43Å; N198-T200 VanDerWaalsContact O-N 3.09Å; T200-K202 PolarHBondContact O-N 3.21Å
201	P	39.2	Very low	44.2	Very low	125 Å²	125	135.3 Å²	135.3	81%	0.812	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.4	127.7	163.7	13.3	-10.2	0	0	0	106.7	A203	P201-A203 PolarHBondContact O-N 3.39Å
202	K	39.9	Very low	43.6	Very low	205 Å²	205	140.2 Å²	140.2	89%	0.891	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.4	173.6	-85.1	-176.1	171.7	-176.3	0	108.1	T200	T200-K202 PolarHBondContact O-N 3.21Å
203	A	36.4	Very low	42.8	Very low	176 Å²	176	138 Å²	138	100%	1.455	75%	0.754	S	S	*	*			trans	58	0	168.4	0	0	0	0	0	116.5	P201	P201-A203 PolarHBondContact O-N 3.39Å

Retrieved 203 of 203 residues in 118.6 ms (Link to these results)

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