A0A077ZC37_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZC37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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	36.2	Very low	34.9	Very low	230 Å²	230	139.2 Å²	139.2	100%	1.133	72%	0.722	S	S	*	*				0	115.3	0	-69.8	176.2	-158.6	0	0	107.2	L3	M1-L3 PolarHBondContact O-N 3.02Å
2	M	34.3	Very low	34.6	Very low	184 Å²	184	141.5 Å²	141.5	91%	0.906	73%	0.727	S	S	*	*			trans	-75.4	106.5	-179.8	-73.2	160.1	142.3	0	0	108.7
3	L	35	Very low	34.2	Very low	135 Å²	135	137.2 Å²	137.2	71%	0.707	73%	0.725	S	S	*	*			trans	-129.4	-3	174.7	-72.1	175.5	0	0	0	113.8	M1	M1-L3 PolarHBondContact O-N 3.02Å
4	S	45	Very low	33.9	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	72%	0.722	S	S	*	*	H	α-helix	trans	-89.4	-27.2	-167.6	-52.6	0	0	0	0	114.8	I8	S4-I8 VanDerWaalsContact O-CD1 3.3Å; S4-I8 WeakPolarHBondContact O-CD1 3.28Å; S4-I8 WeakPolarHBondContact O-CG1 3.16Å
5	S	34.7	Very low	34.1	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	71%	0.705	S	S	*	*	H	α-helix	trans	-93.5	-39.5	-173.4	-50.3	0	0	0	0	112.9	L7 I8 V9	S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 2.87Å; S5-I8 PolarHBondContact O-N 2.81Å; S5-V9 PolarHBondContact O-N 2.74Å
6	D	30.6	Very low	33.9	Very low	108 Å²	108	138.3 Å²	138.3	58%	0.578	72%	0.717	S	S	*	*	H	α-helix	trans	-69.8	-28.7	-177.2	-69.9	-58.8	0	0	0	113.1	R10	D6-R10 WeakPolarHBondContact O-CB 3.49Å; D6-R10 WeakPolarHBondContact O-CG 2.93Å; D6-R10 PolarHBondContact O-N 2.9Å; D6-R10 VanDerWaalsContact O-N 3.08Å
7	L	34.6	Very low	33.6	Very low	135 Å²	135	134.4 Å²	134.4	71%	0.707	72%	0.718	S	S	*	*	H	α-helix	trans	-68.4	-37	176	-158.2	84	0	0	0	111.4	S5 H11	S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 2.87Å; L7-H11 PolarHBondContact O-N 2.88Å
8	I	32.5	Very low	33.5	Very low	123 Å²	123	131.3 Å²	131.3	63%	0.631	71%	0.705	S	S	*	*	H	α-helix	trans	-68.3	-42.2	-179.9	-61.8	172.4	0	0	0	110.2	S4 S5	S4-I8 VanDerWaalsContact O-CD1 3.3Å; S4-I8 WeakPolarHBondContact O-CD1 3.28Å; S4-I8 WeakPolarHBondContact O-CG1 3.16Å; S5-I8 PolarHBondContact O-N 2.81Å
9	V	30.4	Very low	33.2	Very low	107 Å²	107	129.7 Å²	129.7	65%	0.648	70%	0.697	S	S	*	*	H	α-helix	trans	-74	-34.3	-178.5	-179.3	0	0	0	0	111.9	S5	S5-V9 PolarHBondContact O-N 2.74Å
10	R	30.8	Very low	33.3	Very low	196 Å²	196	129.4 Å²	129.4	74%	0.74	69%	0.689	S	S	*	*	H	α-helix	trans	-71	-31.2	178.5	-76.2	-173.4	-173.8	-170.9	2.5	113.5	D6	D6-R10 WeakPolarHBondContact O-CB 3.49Å; D6-R10 WeakPolarHBondContact O-CG 2.93Å; D6-R10 PolarHBondContact O-N 2.9Å; D6-R10 VanDerWaalsContact O-N 3.08Å
11	H	39.6	Very low	33.2	Very low	125 Å²	125	130.6 Å²	130.6	58%	0.579	69%	0.69	S	S	*	*	H	α-helix	trans	-83.2	-11.1	-175.3	-132	46.7	0	0	0	114.3	L7 A13 E14	L7-H11 PolarHBondContact O-N 2.88Å; H11-A13 PolarHBondContact O-N 3.11Å; H11-E14 IonicContact CE1-OE2 3.87Å; H11-E14 IonicContact ND1-OE2 3.67Å
12	E	31.7	Very low	33	Very low	167 Å²	167	124.8 Å²	124.8	78%	0.78	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-19.2	171.4	-158	173.5	141.7	0	0	112.1
13	A	29.5	Very low	32.7	Very low	85 Å²	85	120.3 Å²	120.3	70%	0.702	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-8.6	-174.7	0	0	0	0	0	115.7	H11	H11-A13 PolarHBondContact O-N 3.11Å
14	E	29.5	Very low	32.4	Very low	146 Å²	146	121.8 Å²	121.8	68%	0.682	64%	0.644	S	S	*	*			trans	-110.8	7.6	-170.1	-71.5	-177.3	151.2	0	0	115.2	H11 E16	H11-E14 IonicContact CE1-OE2 3.87Å; H11-E14 IonicContact ND1-OE2 3.67Å; E14-E16 PolarHBondContact O-N 2.82Å; E14-E16 VanDerWaalsContact O-N 3.13Å
15	I	37	Very low	31.7	Very low	90 Å²	90	121.3 Å²	121.3	46%	0.462	65%	0.646	S	S	.	*			trans	-89.5	41.4	179.9	-35.9	175.5	0	0	0	111.7	V18 A108	I15-V18 HydrophobicContact CG2-CG2 4.08Å; I15-A108 HydrophobicContact CD1-CB 4.16Å
16	E	30.3	Very low	31.5	Very low	193 Å²	193	123 Å²	123	90%	0.902	65%	0.647	S	S	*	*	S	Bend	trans	-100.5	95.2	168.6	-167	173	-164.6	0	0	108.3	E14	E14-E16 PolarHBondContact O-N 2.82Å; E14-E16 VanDerWaalsContact O-N 3.13Å
17	G	29.7	Very low	31.6	Very low	72 Å²	72	124.3 Å²	124.3	74%	0.742	65%	0.654	S	S	*	*			trans	134.1	12.5	169.2	0	0	0	0	0	118.7	N19	G17-N19 PolarHBondContact O-N 3.26Å
18	V	31.4	Very low	31.5	Very low	79 Å²	79	125.7 Å²	125.7	48%	0.479	66%	0.662	S	S	.	*			trans	-71.9	102.2	174.2	-175.9	0	0	0	0	109.7	I15 F20	I15-V18 HydrophobicContact CG2-CG2 4.08Å; V18-F20 HydrophobicContact CG1-CD1 4.45Å; V18-F20 HydrophobicContact CG1-CE1 4.17Å; V18-F20 HydrophobicContact CG1-CZ 4.25Å; V18-F20 WeakPolarHBondContact O-CD2 3.27Å; V18-F20 PolarHBondContact O-N 2.71Å
19	N	28.7	Very low	31.5	Very low	102 Å²	102	128.5 Å²	128.5	55%	0.545	67%	0.673	S	S	.	*			trans	-81.6	108.3	172	-174.6	-4.9	0	0	0	109.7	G17 E21	G17-N19 PolarHBondContact O-N 3.26Å; N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.46Å; N19-E21 PolarHBondContact OD1-N 2.79Å; N19-E21 VanDerWaalsContact OD1-N 3.11Å
20	F	35.1	Very low	31.8	Very low	123 Å²	123	128.9 Å²	128.9	54%	0.539	67%	0.67	S	S	.	*	G	3₁₀ helix	trans	-71.7	-13.1	-177.3	-63.4	-83.2	0	0	0	114.1	V18 V22 F23 F24	V18-F20 HydrophobicContact CG1-CD1 4.45Å; V18-F20 HydrophobicContact CG1-CE1 4.17Å; V18-F20 HydrophobicContact CG1-CZ 4.25Å; V18-F20 WeakPolarHBondContact O-CD2 3.27Å; V18-F20 PolarHBondContact O-N 2.71Å; F20-V22 PolarHBondContact O-N 2.77Å; F20-F23 WeakPolarHBondContact O-CB 3.17Å; F20-F23 PolarHBondContact O-N 3.48Å; F20-F24 WeakPolarHBondContact O-CD2 3.04Å
21	E	30.9	Very low	31.8	Very low	154 Å²	154	124.2 Å²	124.2	72%	0.72	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-69.8	-31.9	-178.2	-74	-176.3	161.1	0	0	113.3	N19 F23 F24	N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.46Å; N19-E21 PolarHBondContact OD1-N 2.79Å; N19-E21 VanDerWaalsContact OD1-N 3.11Å; E21-F23 PolarHBondContact O-N 2.87Å; E21-F23 VanDerWaalsContact O-N 3.17Å; E21-F24 PolarHBondContact O-N 2.84Å
22	V	32.5	Very low	31.6	Very low	109 Å²	109	125 Å²	125	66%	0.661	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-65	-20.3	175.5	176.4	0	0	0	0	111.3	F20	F20-V22 PolarHBondContact O-N 2.77Å
23	F	26.9	Very low	31.7	Very low	90 Å²	90	121.1 Å²	121.1	40%	0.395	68%	0.679	S	S	.	*	G	3₁₀ helix	trans	-80.8	-20.2	-173.9	-150.9	-129	0	0	0	114	F20 E21 R138	F20-F23 WeakPolarHBondContact O-CB 3.17Å; F20-F23 PolarHBondContact O-N 3.48Å; E21-F23 PolarHBondContact O-N 2.87Å; E21-F23 VanDerWaalsContact O-N 3.17Å; F23-R138 VanDerWaalsContact CD1-NH1 3.29Å; F23-R138 VanDerWaalsContact CZ-NE 3.33Å
24	F	28.7	Very low	32.1	Very low	165 Å²	165	124.1 Å²	124.1	72%	0.724	69%	0.689	S	S	*	*	S	Bend	trans	-91.4	-13.3	-179.3	-74.7	-80.3	0	0	0	113.9	F20 E21 I26	F20-F24 WeakPolarHBondContact O-CD2 3.04Å; E21-F24 PolarHBondContact O-N 2.84Å; F24-I26 PolarHBondContact O-N 3.12Å
25	A	30.8	Very low	32.7	Very low	88 Å²	88	119.7 Å²	119.7	73%	0.727	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-5.2	-168.8	0	0	0	0	0	115.3
26	I	30	Very low	32.9	Very low	127 Å²	127	119.9 Å²	119.9	65%	0.651	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	30.7	-175.2	-35.2	-179.4	0	0	0	111.4	F24	F24-I26 PolarHBondContact O-N 3.12Å
27	D	33.9	Very low	33.4	Very low	135 Å²	135	115.5 Å²	115.5	72%	0.722	66%	0.661	S	S	*	*			trans	-87.6	-22.1	-166.4	-163.3	57.9	0	0	0	114.7
28	D	30.7	Very low	34	Very low	163 Å²	163	114.1 Å²	114.1	87%	0.872	64%	0.639	S	S	*	*	S	Bend	trans	-100.2	-2.5	-153.1	-129.3	-2.9	0	0	0	117.6
29	E	34	Very low	34.6	Very low	182 Å²	182	114.4 Å²	114.4	85%	0.85	64%	0.635	S	S	*	*	S	Bend	trans	-113.2	0.7	-167.1	-141.1	-176.4	137.1	0	0	118.2
30	L	35.6	Very low	35.6	Very low	115 Å²	115	112.6 Å²	112.6	60%	0.602	63%	0.634	S	S	*	*			trans	-134	57.1	-167.6	-71.5	168	0	0	0	114.9	L145	L30-L145 HydrophobicContact CD1-CD2 4.41Å; L30-L145 HydrophobicContact CD1-CG 4.43Å
31	A	32	Very low	36	Very low	98 Å²	98	110.7 Å²	110.7	81%	0.81	63%	0.629	S	S	*	*			trans	-106.2	55.2	-178	0	0	0	0	0	114.3
32	T	34.1	Very low	36.7	Very low	141 Å²	141	104.1 Å²	104.1	87%	0.865	60%	0.598	S	S	*	*			trans	-158.1	88.2	167.2	49.6	0	0	0	0	113.9
33	S	35.5	Very low	37.6	Very low	86 Å²	86	101.9 Å²	101.9	60%	0.601	58%	0.58	S	S	*	*			trans	-160.6	152.2	158.8	-164.9	0	0	0	0	113.7	V35	S33-V35 PolarHBondContact O-N 3.4Å
34	T	37.9	Very low	38.6	Very low	148 Å²	148	101 Å²	101	91%	0.908	59%	0.586	S	S	*	*			trans	-92.9	78.5	-168	-51	0	0	0	0	110.7
35	V	41.6	Very low	39.4	Very low	54 Å²	54	96.9 Å²	96.9	33%	0.327	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-102.1	144.3	-179.5	179.8	0	0	0	0	109.6	S33	S33-V35 PolarHBondContact O-N 3.4Å
36	P	40.4	Very low	40.1	Very low	94 Å²	94	93.2 Å²	93.2	61%	0.61	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56.2	140.7	177.3	20.7	-33	0	0	0	112.1
37	N	41	Very low	41.2	Very low	101 Å²	101	90.4 Å²	90.4	54%	0.54	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-55.2	126.5	-167.8	-178.7	-32.8	0	0	0	112.5	H39 A40	N37-H39 PolarHBondContact O-N 3.38Å; N37-H39 VanDerWaalsContact O-N 3.12Å; N37-H39 WeakPolarHBondContact OD1-CB 3.3Å; N37-H39 PolarHBondContact OD1-N 3.03Å; N37-A40 WeakPolarHBondContact O-CB 3.29Å; N37-A40 PolarHBondContact O-N 3.38Å
38	P	41.7	Very low	41.9	Very low	42 Å²	42	91.8 Å²	91.8	27%	0.273	54%	0.536	S	S	.	.	H	α-helix	trans	-45.9	-45.7	178.9	-2.3	-11.7	0	0	0	114.1	A40 I41 F42 I136 E140	P38-A40 PolarHBondContact O-N 2.98Å; P38-I41 PolarHBondContact O-N 3.13Å; P38-I41 VanDerWaalsContact O-N 3.13Å; P38-F42 PolarHBondContact O-N 2.9Å; P38-I136 HydrophobicContact CB-CG2 3.73Å; P38-E140 WeakPolarHBondContact CA-OE1 3.38Å; P38-E140 HydrophobicContact CB-CG 4.39Å; P38-E140 WeakPolarHBondContact CB-OE1 3.3Å; P38-E140 WeakPolarHBondContact CB-OE2 3.47Å; P38-E140 WeakPolarHBondContact CD-OE1 3.31Å; P38-E140 VanDerWaalsContact CG-CD 3.43Å; P38-E140 WeakPolarHBondContact CG-OE1 3.48Å; P38-E140 WeakPolarHBondContact CG-OE2 3.37Å; P38-E140 VanDerWaalsContact N-OE1 3.11Å
39	H	44.9	Very low	42.6	Very low	86 Å²	86	86.8 Å²	86.8	40%	0.398	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-32.7	-171.5	-164.7	76.3	0	0	0	110.1	N37 Q43	N37-H39 PolarHBondContact O-N 3.38Å; N37-H39 VanDerWaalsContact O-N 3.12Å; N37-H39 WeakPolarHBondContact OD1-CB 3.3Å; N37-H39 PolarHBondContact OD1-N 3.03Å; H39-Q43 PolarHBondContact NE2-NE2 3.12Å; H39-Q43 VanDerWaalsContact O-CB 3.28Å; H39-Q43 WeakPolarHBondContact O-CB 3.1Å; H39-Q43 WeakPolarHBondContact O-CG 3.13Å; H39-Q43 PolarHBondContact O-N 2.91Å
40	A	48.8	Very low	42.9	Very low	63 Å²	63	80.8 Å²	80.8	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-70.6	-41.4	176.8	0	0	0	0	0	111.9	N37 P38 F42 S44	N37-A40 WeakPolarHBondContact O-CB 3.29Å; N37-A40 PolarHBondContact O-N 3.38Å; P38-A40 PolarHBondContact O-N 2.98Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-S44 VanDerWaalsContact O-CB 3.3Å; A40-S44 WeakPolarHBondContact O-CB 2.88Å; A40-S44 PolarHBondContact O-N 2.96Å
41	I	45.1	Very low	43	Very low	84 Å²	84	76.7 Å²	76.7	43%	0.431	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-44.5	177	-59.6	175.4	0	0	0	109.5	P38 S44 I45	P38-I41 PolarHBondContact O-N 3.13Å; P38-I41 VanDerWaalsContact O-N 3.13Å; I41-S44 WeakPolarHBondContact O-CB 2.86Å; I41-S44 PolarHBondContact O-N 3.17Å; I41-S44 VanDerWaalsContact O-N 3.15Å; I41-I45 HydrophobicContact CG2-CD1 3.99Å; I41-I45 WeakPolarHBondContact O-CG1 3.37Å; I41-I45 PolarHBondContact O-N 2.79Å
42	F	45.2	Very low	43.4	Very low	16 Å²	16	75.6 Å²	75.6	7%	0.07	47%	0.469	C	S	.	.	H	α-helix	trans	-65	-47.8	179.2	-177.6	-126.2	0	0	0	112.7	P38 A40 S44 I45 L46 V132 I136	P38-F42 PolarHBondContact O-N 2.9Å; A40-F42 VanDerWaalsContact C-N 3.33Å; F42-S44 PolarHBondContact O-N 2.89Å; F42-I45 PolarHBondContact O-N 2.83Å; F42-L46 HydrophobicContact CD1-CD1 3.71Å; F42-L46 HydrophobicContact CD1-CG 4.31Å; F42-L46 HydrophobicContact CD2-CD1 4.22Å; F42-L46 HydrophobicContact CD2-CG 3.94Å; F42-L46 HydrophobicContact CE1-CD1 3.24Å; F42-L46 HydrophobicContact CE1-CG 4.02Å; F42-L46 HydrophobicContact CE2-CD1 3.8Å; F42-L46 HydrophobicContact CE2-CD2 3.78Å; F42-L46 HydrophobicContact CE2-CG 3.6Å; F42-L46 HydrophobicContact CG-CD1 4.19Å; F42-L46 HydrophobicContact CG-CG 4.3Å; F42-L46 HydrophobicContact CZ-CD1 3.31Å; F42-L46 HydrophobicContact CZ-CD2 3.85Å; F42-L46 HydrophobicContact CZ-CG 3.66Å; F42-L46 VanDerWaalsContact O-CB 3.3Å; F42-L46 WeakPolarHBondContact O-CB 2.95Å; F42-L46 VanDerWaalsContact O-CG 3.31Å; F42-L46 WeakPolarHBondContact O-CG 3.1Å; F42-L46 PolarHBondContact O-N 3.26Å; F42-V132 HydrophobicContact CD2-CG1 4.23Å; F42-V132 HydrophobicContact CE1-CG1 4.49Å; F42-V132 HydrophobicContact CE2-CB 4.39Å; F42-V132 HydrophobicContact CE2-CG1 3.25Å; F42-V132 HydrophobicContact CZ-CB 4.09Å; F42-V132 HydrophobicContact CZ-CG1 3.41Å; F42-V132 VanDerWaalsContact CZ-CG1 3.41Å; F42-I136 HydrophobicContact CB-CD1 3.6Å; F42-I136 HydrophobicContact CB-CG1 4.39Å; F42-I136 HydrophobicContact CD1-CD1 3.71Å; F42-I136 HydrophobicContact CD2-CD1 3.34Å; F42-I136 HydrophobicContact CD2-CG1 4.13Å; F42-I136 HydrophobicContact CE1-CD1 4.13Å; F42-I136 HydrophobicContact CE2-CD1 3.83Å; F42-I136 HydrophobicContact CG-CD1 3.26Å; F42-I136 HydrophobicContact CG-CG1 4.33Å; F42-I136 HydrophobicContact CZ-CD1 4.18Å
43	Q	50.4	Low	43.9	Very low	61 Å²	61	71.2 Å²	71.2	29%	0.285	44%	0.442	S	S	.	.	H	α-helix	trans	-58.8	-33.6	173.2	-73.3	-72	3.8	0	0	111.2	H39 A47	H39-Q43 PolarHBondContact NE2-NE2 3.12Å; H39-Q43 VanDerWaalsContact O-CB 3.28Å; H39-Q43 WeakPolarHBondContact O-CB 3.1Å; H39-Q43 WeakPolarHBondContact O-CG 3.13Å; H39-Q43 PolarHBondContact O-N 2.91Å; Q43-A47 WeakPolarHBondContact O-CB 3.49Å; Q43-A47 PolarHBondContact O-N 2.9Å
44	S	49.4	Very low	44.1	Very low	73 Å²	73	74.8 Å²	74.8	51%	0.51	45%	0.449	S	S	.	.	H	α-helix	trans	-69.5	-43.6	175.9	-155.7	0	0	0	0	112.5	A40 I41 F42 A47 E48	A40-S44 VanDerWaalsContact O-CB 3.3Å; A40-S44 WeakPolarHBondContact O-CB 2.88Å; A40-S44 PolarHBondContact O-N 2.96Å; I41-S44 WeakPolarHBondContact O-CB 2.86Å; I41-S44 PolarHBondContact O-N 3.17Å; I41-S44 VanDerWaalsContact O-N 3.15Å; F42-S44 PolarHBondContact O-N 2.89Å; S44-A47 PolarHBondContact O-N 3.25Å; S44-E48 VanDerWaalsContact O-CB 3.29Å; S44-E48 WeakPolarHBondContact O-CB 3.41Å; S44-E48 PolarHBondContact O-N 3.15Å
45	I	45	Very low	44.2	Very low	78 Å²	78	71.5 Å²	71.5	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-44.5	176.8	-66.7	167.2	0	0	0	110.2	I41 F42 E48 A49	I41-I45 HydrophobicContact CG2-CD1 3.99Å; I41-I45 WeakPolarHBondContact O-CG1 3.37Å; I41-I45 PolarHBondContact O-N 2.79Å; F42-I45 PolarHBondContact O-N 2.83Å; I45-E48 PolarHBondContact O-N 2.75Å; I45-A49 VanDerWaalsContact O-CB 3.3Å; I45-A49 WeakPolarHBondContact O-CB 3.3Å; I45-A49 PolarHBondContact O-N 2.95Å
46	L	45.5	Very low	43.9	Very low	11 Å²	11	74.8 Å²	74.8	6%	0.058	46%	0.463	C	S	.	.	H	α-helix	trans	-62.4	-48.4	176.5	-74.4	-174.5	0	0	0	110.9	F42 E48 A49 G50 I51 V53	F42-L46 HydrophobicContact CD1-CD1 3.71Å; F42-L46 HydrophobicContact CD1-CG 4.31Å; F42-L46 HydrophobicContact CD2-CD1 4.22Å; F42-L46 HydrophobicContact CD2-CG 3.94Å; F42-L46 HydrophobicContact CE1-CD1 3.24Å; F42-L46 HydrophobicContact CE1-CG 4.02Å; F42-L46 HydrophobicContact CE2-CD1 3.8Å; F42-L46 HydrophobicContact CE2-CD2 3.78Å; F42-L46 HydrophobicContact CE2-CG 3.6Å; F42-L46 HydrophobicContact CG-CD1 4.19Å; F42-L46 HydrophobicContact CG-CG 4.3Å; F42-L46 HydrophobicContact CZ-CD1 3.31Å; F42-L46 HydrophobicContact CZ-CD2 3.85Å; F42-L46 HydrophobicContact CZ-CG 3.66Å; F42-L46 VanDerWaalsContact O-CB 3.3Å; F42-L46 WeakPolarHBondContact O-CB 2.95Å; F42-L46 VanDerWaalsContact O-CG 3.31Å; F42-L46 WeakPolarHBondContact O-CG 3.1Å; F42-L46 PolarHBondContact O-N 3.26Å; L46-E48 VanDerWaalsContact C-N 3.31Å; L46-E48 PolarHBondContact O-N 2.96Å; L46-A49 CarbonylContact O-C 2.86Å; L46-A49 WeakPolarHBondContact O-CA 3.4Å; L46-A49 PolarHBondContact O-N 3.24Å; L46-A49 VanDerWaalsContact O-N 3.12Å; L46-G50 PolarHBondContact O-N 3.06Å; L46-I51 CarbonylContact C-O 3.12Å; L46-I51 HydrophobicContact CB-CB 4.38Å; L46-I51 VanDerWaalsContact CB-O 3.27Å; L46-I51 WeakPolarHBondContact CB-O 3.43Å; L46-I51 HydrophobicContact CD2-CB 3.97Å; L46-I51 HydrophobicContact CD2-CD1 4.27Å; L46-I51 HydrophobicContact CD2-CG2 3.89Å; L46-I51 PolarHBondContact O-N 2.77Å; L46-I51 VanDerWaalsContact O-O 3.06Å; L46-V53 HydrophobicContact CD1-CB 3.88Å; L46-V53 HydrophobicContact CD1-CG2 3.42Å; L46-V53 VanDerWaalsContact CD1-CG2 3.42Å
47	A	52.9	Low	43.7	Very low	68 Å²	68	75.7 Å²	75.7	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-60.1	-40.2	176.2	0	0	0	0	0	112.1	Q43 S44 G50	Q43-A47 WeakPolarHBondContact O-CB 3.49Å; Q43-A47 PolarHBondContact O-N 2.9Å; S44-A47 PolarHBondContact O-N 3.25Å; A47-G50 WeakPolarHBondContact O-CA 3.34Å; A47-G50 PolarHBondContact O-N 2.9Å
48	E	49.1	Very low	43.6	Very low	163 Å²	163	75.1 Å²	75.1	76%	0.762	48%	0.481	S	S	*	.	H	α-helix	trans	-69.1	-33.9	175.9	-173.1	156.5	153.9	0	0	112.5	S44 I45 L46 G50	S44-E48 VanDerWaalsContact O-CB 3.29Å; S44-E48 WeakPolarHBondContact O-CB 3.41Å; S44-E48 PolarHBondContact O-N 3.15Å; I45-E48 PolarHBondContact O-N 2.75Å; L46-E48 VanDerWaalsContact C-N 3.31Å; L46-E48 PolarHBondContact O-N 2.96Å; E48-G50 PolarHBondContact O-N 2.88Å
49	A	45.4	Very low	43.3	Very low	58 Å²	58	76.6 Å²	76.6	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-73.9	-8.4	169.2	0	0	0	0	0	113.2	I45 L46 I51	I45-A49 VanDerWaalsContact O-CB 3.3Å; I45-A49 WeakPolarHBondContact O-CB 3.3Å; I45-A49 PolarHBondContact O-N 2.95Å; L46-A49 CarbonylContact O-C 2.86Å; L46-A49 WeakPolarHBondContact O-CA 3.4Å; L46-A49 PolarHBondContact O-N 3.24Å; L46-A49 VanDerWaalsContact O-N 3.12Å; A49-I51 VanDerWaalsContact C-N 3.32Å; A49-I51 HydrophobicContact CB-CD1 3.78Å; A49-I51 HydrophobicContact CB-CG1 4.08Å
50	G	39.5	Very low	42.9	Very low	56 Å²	56	80.1 Å²	80.1	58%	0.577	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	18.6	-175.8	0	0	0	0	0	114.4	L46 A47 E48	L46-G50 PolarHBondContact O-N 3.06Å; A47-G50 WeakPolarHBondContact O-CA 3.34Å; A47-G50 PolarHBondContact O-N 2.9Å; E48-G50 PolarHBondContact O-N 2.88Å
51	I	36.8	Very low	42.6	Very low	29 Å²	29	84.4 Å²	84.4	15%	0.149	54%	0.539	C	S	.	.			trans	-99.3	121.6	179.7	-56.6	165.3	0	0	0	106.9	L46 A49 L76	L46-I51 CarbonylContact C-O 3.12Å; L46-I51 HydrophobicContact CB-CB 4.38Å; L46-I51 VanDerWaalsContact CB-O 3.27Å; L46-I51 WeakPolarHBondContact CB-O 3.43Å; L46-I51 HydrophobicContact CD2-CB 3.97Å; L46-I51 HydrophobicContact CD2-CD1 4.27Å; L46-I51 HydrophobicContact CD2-CG2 3.89Å; L46-I51 PolarHBondContact O-N 2.77Å; L46-I51 VanDerWaalsContact O-O 3.06Å; A49-I51 VanDerWaalsContact C-N 3.32Å; A49-I51 HydrophobicContact CB-CD1 3.78Å; A49-I51 HydrophobicContact CB-CG1 4.08Å; I51-L76 HydrophobicContact CD1-CD2 3.7Å
52	S	40.4	Very low	42.5	Very low	76 Å²	76	84.6 Å²	84.6	53%	0.531	55%	0.553	S	S	.	*			trans	-102.3	116.2	171	60.3	0	0	0	0	108.5	E54	S52-E54 PolarHBondContact O-N 2.97Å
53	V	44.5	Very low	42.3	Very low	48 Å²	48	92.9 Å²	92.9	29%	0.291	59%	0.592	S	S	.	*			trans	-84.8	91.4	164.8	169.1	0	0	0	0	106.5	L46 A55	L46-V53 HydrophobicContact CD1-CB 3.88Å; L46-V53 HydrophobicContact CD1-CG2 3.42Å; L46-V53 VanDerWaalsContact CD1-CG2 3.42Å; V53-A55 PolarHBondContact O-N 2.95Å; V53-A55 VanDerWaalsContact O-N 3.11Å
54	E	41.2	Very low	41.8	Very low	161 Å²	161	98 Å²	98	75%	0.752	62%	0.616	S	S	*	*			trans	-66.2	107.2	159.4	-69.6	-73.3	112.4	0	0	105.6	S52 S56	S52-E54 PolarHBondContact O-N 2.97Å; E54-S56 PolarHBondContact O-N 3.08Å
55	A	38.6	Very low	41.4	Very low	79 Å²	79	104.4 Å²	104.4	65%	0.653	64%	0.638	S	S	*	*			trans	-64.6	90.1	173.4	0	0	0	0	0	107.8	V53 S57	V53-A55 PolarHBondContact O-N 2.95Å; V53-A55 VanDerWaalsContact O-N 3.11Å; A55-S57 VanDerWaalsContact C-N 3.25Å; A55-S57 PolarHBondContact O-N 3.33Å
56	S	35.4	Very low	41.1	Very low	123 Å²	123	105.1 Å²	105.1	86%	0.86	65%	0.65	S	S	*	*			trans	-66.6	91.2	174.1	-168.4	0	0	0	0	108.4	E54	E54-S56 PolarHBondContact O-N 3.08Å
57	S	37.1	Very low	41	Very low	114 Å²	114	112.9 Å²	112.9	80%	0.797	69%	0.692	S	S	*	*			trans	-105.4	102.4	170.9	177.6	0	0	0	0	107.3	A55	A55-S57 VanDerWaalsContact C-N 3.25Å; A55-S57 PolarHBondContact O-N 3.33Å
58	A	39	Very low	40.3	Very low	89 Å²	89	116 Å²	116	74%	0.736	70%	0.699	S	S	*	*			trans	162.8	123.2	156.3	0	0	0	0	0	105.3
59	G	35.7	Very low	39.6	Very low	72 Å²	72	116.5 Å²	116.5	74%	0.742	70%	0.701	S	S	*	*			cis	89.9	111.2	43.6	0	0	0	0	0	108.3
60	D	36.4	Very low	39.1	Very low	160 Å²	160	119.3 Å²	119.3	86%	0.856	71%	0.713	S	S	*	*			trans	81.9	99.4	167.6	-81.2	-60.9	0	0	0	120.3
61	D	42.4	Very low	38.9	Very low	153 Å²	153	123.8 Å²	123.8	82%	0.818	72%	0.718	S	S	*	*				27.2	96.6	117.3	-152.6	55.9	0	0	0	116.7
62	A	41.9	Very low	38.8	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	75%	0.752	S	S	*	*			trans	-160.2	109.4	148.2	0	0	0	0	0	109.2	E64	A62-E64 PolarHBondContact O-N 2.73Å
63	E	41.4	Very low	38.6	Very low	190 Å²	190	130 Å²	130	89%	0.888	74%	0.744	S	S	*	*			trans	-55.3	98.5	164	-62.7	-91.2	123.9	0	0	109.6
64	E	40	Very low	38.3	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.794	75%	0.753	S	S	*	*			trans	-136	114.3	160.3	-89.4	-97	123.5	0	0	107.4	A62 S66	A62-E64 PolarHBondContact O-N 2.73Å; E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.02Å
65	E	41.4	Very low	38.6	Very low	206 Å²	206	131.8 Å²	131.8	96%	0.963	75%	0.748	S	S	*	*			trans	-59.9	90.2	170.2	-65.1	-177.3	159.1	0	0	109.4
66	S	39.5	Very low	39	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	73%	0.733	S	S	*	*			trans	-123.8	85.7	167	76.7	0	0	0	0	110.4	E64 N68	E64-S66 VanDerWaalsContact C-N 3.31Å; E64-S66 PolarHBondContact O-N 3.02Å; S66-N68 PolarHBondContact O-N 2.94Å
67	D	42.1	Very low	39.7	Very low	175 Å²	175	132.1 Å²	132.1	94%	0.936	72%	0.722	S	S	*	*			trans	-64.6	77.6	160.4	-175	28.3	0	0	0	108.9
68	N	38.1	Very low	40.5	Very low	133 Å²	133	133.8 Å²	133.8	71%	0.711	72%	0.715	S	S	*	*			trans	165.3	84.4	159.2	179.1	74	0	0	0	109.1	S66	S66-N68 PolarHBondContact O-N 2.94Å
69	E	36	Very low	41.2	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	70%	0.703	S	S	*	*			trans	-154.7	118.3	136.1	-149	162.8	94.1	0	0	109.5	E71	E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.37Å
70	T	34.2	Very low	42	Very low	118 Å²	118	133.8 Å²	133.8	72%	0.724	68%	0.682	S	S	*	*			trans	-32.2	81.5	165.4	37.7	0	0	0	0	113.6	M72	T70-M72 VanDerWaalsContact C-N 3.35Å; T70-M72 WeakPolarHBondContact O-CG 3.4Å; T70-M72 PolarHBondContact O-N 2.7Å
71	E	35.5	Very low	42.9	Very low	149 Å²	149	127.5 Å²	127.5	70%	0.696	65%	0.648	S	S	*	*			trans	-56.7	105.4	161.6	-162.3	-170.9	136.4	0	0	105.1	E69 V73	E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.37Å; E71-V73 HydrophobicContact CB-CG2 4.01Å; E71-V73 VanDerWaalsContact CD-CG2 3.4Å; E71-V73 HydrophobicContact CG-CG2 3.5Å; E71-V73 VanDerWaalsContact CG-CG2 3.5Å; E71-V73 PolarHBondContact O-N 2.86Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å
72	M	33.2	Very low	43.6	Very low	172 Å²	172	126.6 Å²	126.6	85%	0.847	63%	0.633	S	S	*	*			trans	-69.2	47.8	178.8	-61.8	-174.1	-78.2	0	0	110.2	T70 Q74	T70-M72 VanDerWaalsContact C-N 3.35Å; T70-M72 WeakPolarHBondContact O-CG 3.4Å; T70-M72 PolarHBondContact O-N 2.7Å; M72-Q74 PolarHBondContact O-N 2.75Å
73	V	37.1	Very low	44.5	Very low	63 Å²	63	129.9 Å²	129.9	38%	0.382	63%	0.626	S	S	.	*			trans	-64.9	86.2	162.6	-167.5	0	0	0	0	104.9	E71 K75	E71-V73 HydrophobicContact CB-CG2 4.01Å; E71-V73 VanDerWaalsContact CD-CG2 3.4Å; E71-V73 HydrophobicContact CG-CG2 3.5Å; E71-V73 VanDerWaalsContact CG-CG2 3.5Å; E71-V73 PolarHBondContact O-N 2.86Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å; V73-K75 VanDerWaalsContact C-N 3.33Å; V73-K75 PolarHBondContact O-N 3.18Å
74	Q	39.3	Very low	45.4	Very low	100 Å²	100	123.2 Å²	123.2	47%	0.467	60%	0.596	S	S	.	*			trans	-53	106	172.5	-72	-167.6	6	0	0	106.3	M72 L76	M72-Q74 PolarHBondContact O-N 2.75Å; Q74-L76 PolarHBondContact O-N 2.95Å
75	K	47	Very low	46.4	Very low	148 Å²	148	116 Å²	116	64%	0.643	56%	0.563	S	S	*	*			trans	-63.5	89.7	171.6	-80.1	176	173.5	175.9	0	105.6	V73 K77 T124	V73-K75 VanDerWaalsContact C-N 3.33Å; V73-K75 PolarHBondContact O-N 3.18Å; K75-K77 PolarHBondContact O-N 3.44Å; K75-T124 HydrophobicContact CD-CG2 4.04Å; K75-T124 HydrophobicContact CG-CG2 4.29Å
76	L	45.5	Very low	47.4	Very low	66 Å²	66	108.4 Å²	108.4	35%	0.346	54%	0.536	S	S	.	.			trans	-49.5	111.2	168.9	-92.1	162	0	0	0	106.7	I51 Q74 D80 I81	I51-L76 HydrophobicContact CD1-CD2 3.7Å; Q74-L76 PolarHBondContact O-N 2.95Å; L76-D80 HydrophobicContact CD2-CB 3.58Å; L76-I81 HydrophobicContact CB-CD1 4.44Å; L76-I81 HydrophobicContact CB-CG1 4.19Å
77	K	51.2	Low	48.2	Very low	143 Å²	143	108.4 Å²	108.4	62%	0.622	53%	0.526	S	S	*	.			trans	-68.6	155	178.6	-68.7	178.7	178.6	172.6	0	107.4	K75 E79 D80 I81	K75-K77 PolarHBondContact O-N 3.44Å; K77-E79 PolarHBondContact O-N 2.84Å; K77-E79 VanDerWaalsContact O-N 3.1Å; K77-D80 WeakPolarHBondContact CB-OD2 3.26Å; K77-D80 PolarHBondContact N-OD2 3.05Å; K77-D80 WeakPolarHBondContact O-CB 3.38Å; K77-D80 PolarHBondContact O-N 3.1Å; K77-I81 PolarHBondContact O-N 3.16Å
78	K	53.8	Low	48.9	Very low	149 Å²	149	102 Å²	102	65%	0.648	49%	0.491	S	S	*	.	H	α-helix	trans	-55.1	-31.2	175.6	-171.1	178.1	177.7	174.4	0	111.4	R82	K78-R82 WeakPolarHBondContact O-CB 3.34Å; K78-R82 VanDerWaalsContact O-CG 3.32Å; K78-R82 WeakPolarHBondContact O-CG 3.31Å; K78-R82 PolarHBondContact O-N 3.34Å; K78-R82 VanDerWaalsContact O-N 3.07Å; K78-R82 PolarHBondContact O-NE 3.09Å
79	E	54	Low	49.6	Very low	105 Å²	105	101.4 Å²	101.4	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-62	-39.5	170.7	-84	69.9	-126.9	0	0	113.7	K77 R82 R83	K77-E79 PolarHBondContact O-N 2.84Å; K77-E79 VanDerWaalsContact O-N 3.1Å; E79-R82 PolarHBondContact O-N 3.33Å; E79-R82 IonicContact OE1-CZ 2.6Å; E79-R82 IonicContact OE1-NH2 3.82Å; E79-R82 PolarHBondContact OE1-NH2 3.23Å; E79-R83 WeakPolarHBondContact O-CB 3.33Å; E79-R83 PolarHBondContact O-N 3.03Å
80	D	53.1	Low	50.7	Low	55 Å²	55	97.3 Å²	97.3	29%	0.294	47%	0.469	S	S	.	.	H	α-helix	trans	-70.8	-43.2	-177.1	-56.6	-39.7	0	0	0	110.7	L76 K77 R82 R83 M84	L76-D80 HydrophobicContact CD2-CB 3.58Å; K77-D80 WeakPolarHBondContact CB-OD2 3.26Å; K77-D80 PolarHBondContact N-OD2 3.05Å; K77-D80 WeakPolarHBondContact O-CB 3.38Å; K77-D80 PolarHBondContact O-N 3.1Å; D80-R82 VanDerWaalsContact C-N 3.31Å; D80-R82 PolarHBondContact O-N 2.96Å; D80-R83 PolarHBondContact O-N 2.94Å; D80-M84 WeakPolarHBondContact O-CB 3.37Å; D80-M84 PolarHBondContact O-N 2.95Å
81	I	54.8	Low	51.7	Low	28 Å²	28	96.7 Å²	96.7	14%	0.144	46%	0.456	C	S	.	.	H	α-helix	trans	-61.3	-43.5	173	-58.9	174.4	0	0	0	110	L76 K77 R83 M84 V85 L110	L76-I81 HydrophobicContact CB-CD1 4.44Å; L76-I81 HydrophobicContact CB-CG1 4.19Å; K77-I81 PolarHBondContact O-N 3.16Å; I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.44Å; I81-M84 PolarHBondContact O-N 2.96Å; I81-V85 HydrophobicContact CG2-CG2 4.37Å; I81-V85 WeakPolarHBondContact O-CB 3.27Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 3.28Å; I81-L110 HydrophobicContact CG2-CD2 3.8Å
82	R	56.9	Low	52.5	Low	134 Å²	134	90 Å²	90	51%	0.506	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-39.4	176.1	-82.4	-170.9	-84.7	-167.6	-0.2	112.2	K78 E79 D80 A86	K78-R82 WeakPolarHBondContact O-CB 3.34Å; K78-R82 VanDerWaalsContact O-CG 3.32Å; K78-R82 WeakPolarHBondContact O-CG 3.31Å; K78-R82 PolarHBondContact O-N 3.34Å; K78-R82 VanDerWaalsContact O-N 3.07Å; K78-R82 PolarHBondContact O-NE 3.09Å; E79-R82 PolarHBondContact O-N 3.33Å; E79-R82 IonicContact OE1-CZ 2.6Å; E79-R82 IonicContact OE1-NH2 3.82Å; E79-R82 PolarHBondContact OE1-NH2 3.23Å; D80-R82 VanDerWaalsContact C-N 3.31Å; D80-R82 PolarHBondContact O-N 2.96Å; R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 2.88Å
83	R	61.2	Low	53.5	Low	157 Å²	157	84.1 Å²	84.1	59%	0.592	41%	0.405	S	S	*	.	H	α-helix	trans	-66.6	-44.1	176.5	-170.3	-179	-62.6	164	4.2	111.3	E79 D80 I81 A86 Q87	E79-R83 WeakPolarHBondContact O-CB 3.33Å; E79-R83 PolarHBondContact O-N 3.03Å; D80-R83 PolarHBondContact O-N 2.94Å; I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.44Å; R83-A86 PolarHBondContact O-N 3.46Å; R83-Q87 WeakPolarHBondContact O-CG 3.42Å; R83-Q87 PolarHBondContact O-N 3.45Å
84	M	60.5	Low	54.2	Low	51 Å²	51	87.8 Å²	87.8	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-45.4	177.1	-171.4	174.3	69.1	0	0	111.4	D80 I81 A86 Q87 L88	D80-M84 WeakPolarHBondContact O-CB 3.37Å; D80-M84 PolarHBondContact O-N 2.95Å; I81-M84 PolarHBondContact O-N 2.96Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 3.29Å; M84-Q87 PolarHBondContact O-N 3.09Å; M84-L88 PolarHBondContact O-N 3.06Å
85	V	59.9	Low	54.9	Low	17 Å²	17	87.3 Å²	87.3	10%	0.103	41%	0.414	C	S	.	.	H	α-helix	trans	-62.4	-40.9	175	169.7	0	0	0	0	111.5	I81 L88 R89 E107 L110	I81-V85 HydrophobicContact CG2-CG2 4.37Å; I81-V85 WeakPolarHBondContact O-CB 3.27Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 3.28Å; V85-L88 PolarHBondContact O-N 3.48Å; V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.25Å; V85-E107 HydrophobicContact CG1-CB 4.42Å; V85-E107 HydrophobicContact CG1-CG 3.64Å; V85-E107 WeakPolarHBondContact CG1-OE1 3.41Å; V85-L110 HydrophobicContact CG2-CD2 4.38Å
86	A	62.3	Low	55	Low	48 Å²	48	81.6 Å²	81.6	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.3	0	0	0	0	0	111.9	R82 R83 M84 L88 R89 C90	R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 2.88Å; R83-A86 PolarHBondContact O-N 3.46Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 3.29Å; A86-L88 VanDerWaalsContact C-N 3.35Å; A86-R89 PolarHBondContact O-N 3.48Å; A86-C90 PolarHBondContact O-N 3.29Å; A86-C90 PolarHBondContact O-SG 2.89Å; A86-C90 VanDerWaalsContact O-SG 3.39Å
87	Q	56.4	Low	55.3	Low	92 Å²	92	82.7 Å²	82.7	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-41.9	174	-75.6	177.4	-45.9	0	0	111.6	R83 M84 R89 C90 F91	R83-Q87 WeakPolarHBondContact O-CG 3.42Å; R83-Q87 PolarHBondContact O-N 3.45Å; M84-Q87 PolarHBondContact O-N 3.09Å; Q87-R89 PolarHBondContact O-N 3.36Å; Q87-C90 PolarHBondContact O-N 3.46Å; Q87-F91 WeakPolarHBondContact O-CB 3.43Å; Q87-F91 PolarHBondContact O-N 3.42Å
88	L	56.9	Low	55.3	Low	40 Å²	40	85.4 Å²	85.4	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-61.1	-44.2	176.1	-140.1	86.9	0	0	0	111.6	M84 V85 A86 F91 A92 V103 W135 I139	M84-L88 PolarHBondContact O-N 3.06Å; V85-L88 PolarHBondContact O-N 3.48Å; A86-L88 VanDerWaalsContact C-N 3.35Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-A92 WeakPolarHBondContact O-CB 3.36Å; L88-A92 PolarHBondContact O-N 2.74Å; L88-V103 HydrophobicContact CD2-CG1 4.3Å; L88-W135 HydrophobicContact CD2-CE3 4.3Å; L88-W135 HydrophobicContact CD2-CZ3 4.08Å; L88-I139 HydrophobicContact CD1-CD1 3.85Å; L88-I139 HydrophobicContact CD2-CD1 4.29Å; L88-I139 HydrophobicContact CG-CD1 4.31Å
89	R	54	Low	55.2	Low	122 Å²	122	80.4 Å²	80.4	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-42.3	174.1	-78	-179.5	176	171.2	-5.1	111.9	V85 A86 Q87 A93 V103 E107	V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.25Å; A86-R89 PolarHBondContact O-N 3.48Å; Q87-R89 PolarHBondContact O-N 3.36Å; R89-A93 WeakPolarHBondContact O-CB 3.28Å; R89-A93 PolarHBondContact O-N 3.12Å; R89-V103 HydrophobicContact CG-CG1 3.99Å; R89-E107 VanDerWaalsContact CZ-CD 3.47Å; R89-E107 IonicContact CZ-OE1 2.73Å; R89-E107 IonicContact CZ-OE2 3.7Å; R89-E107 IonicContact NE-OE1 2.74Å; R89-E107 IonicContact NE-OE2 3.68Å; R89-E107 PolarHBondContact NE-OE2 3.01Å; R89-E107 IonicContact NH1-OE1 2.68Å; R89-E107 IonicContact NH2-OE1 3.19Å; R89-E107 PolarHBondContact NH2-OE1 2.89Å; R89-E107 IonicContact NH2-OE2 2.94Å; R89-E107 PolarHBondContact NH2-OE2 3.31Å
90	C	58	Low	55.2	Low	87 Å²	87	79 Å²	79	59%	0.588	39%	0.39	S	S	*	.	H	α-helix	trans	-63.9	-45.1	176.5	-75.4	0	0	0	0	111.5	A86 Q87 A93 E94	A86-C90 PolarHBondContact O-N 3.29Å; A86-C90 PolarHBondContact O-SG 2.89Å; A86-C90 VanDerWaalsContact O-SG 3.39Å; Q87-C90 PolarHBondContact O-N 3.46Å; C90-A93 PolarHBondContact O-N 3.3Å; C90-E94 WeakPolarHBondContact O-CB 3.47Å; C90-E94 PolarHBondContact O-N 3.23Å
91	F	55	Low	55.4	Low	104 Å²	104	80.4 Å²	80.4	46%	0.456	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-47.4	176.8	-176.2	-94.9	0	0	0	111.2	Q87 L88 E94 K95 I139	Q87-F91 WeakPolarHBondContact O-CB 3.43Å; Q87-F91 PolarHBondContact O-N 3.42Å; L88-F91 PolarHBondContact O-N 2.85Å; F91-E94 PolarHBondContact O-N 2.96Å; F91-K95 HydrophobicContact CD1-CG 4.41Å; F91-K95 HydrophobicContact CD2-CG 4.16Å; F91-K95 HydrophobicContact CE1-CB 4.5Å; F91-K95 HydrophobicContact CE1-CG 4.13Å; F91-K95 HydrophobicContact CE2-CG 3.87Å; F91-K95 HydrophobicContact CG-CG 4.43Å; F91-K95 HydrophobicContact CZ-CG 3.86Å; F91-K95 WeakPolarHBondContact O-CB 3.32Å; F91-K95 WeakPolarHBondContact O-CG 3.36Å; F91-K95 PolarHBondContact O-N 3.35Å; F91-I139 HydrophobicContact CE1-CG2 4.5Å
92	A	53.1	Low	55.4	Low	10 Å²	10	82.7 Å²	82.7	8%	0.083	41%	0.414	C	S	.	.	H	α-helix	trans	-66.4	-38.9	176.7	0	0	0	0	0	112.8	L88 E94 C96 L100 V103	L88-A92 WeakPolarHBondContact O-CB 3.36Å; L88-A92 PolarHBondContact O-N 2.74Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 2.83Å; A92-C96 CarbonylContact O-C 3.58Å; A92-C96 VanDerWaalsContact O-CA 3.23Å; A92-C96 WeakPolarHBondContact O-CA 3.17Å; A92-C96 PolarHBondContact O-N 2.9Å; A92-L100 HydrophobicContact CB-CD2 4.34Å; A92-V103 HydrophobicContact CB-CB 4.32Å; A92-V103 HydrophobicContact CB-CG2 3.44Å; A92-V103 VanDerWaalsContact CB-CG2 3.44Å
93	A	53.4	Low	55.2	Low	47 Å²	47	77 Å²	77	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-62.9	-40.5	175.5	0	0	0	0	0	112.2	R89 C90 L100	R89-A93 WeakPolarHBondContact O-CB 3.28Å; R89-A93 PolarHBondContact O-N 3.12Å; C90-A93 PolarHBondContact O-N 3.3Å; A93-L100 HydrophobicContact CB-CD2 4.06Å
94	E	52.2	Low	55	Low	141 Å²	141	71.9 Å²	71.9	66%	0.659	39%	0.386	S	S	*	.	H	α-helix	trans	-75.1	-48.2	-179.5	-170	-166.7	133.9	0	0	111.9	C90 F91 A92	C90-E94 WeakPolarHBondContact O-CB 3.47Å; C90-E94 PolarHBondContact O-N 3.23Å; F91-E94 PolarHBondContact O-N 2.96Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 2.83Å
95	K	54.3	Low	54.9	Low	90 Å²	90	72.1 Å²	72.1	39%	0.391	39%	0.393	S	S	.	.	H	α-helix	trans	-83.7	-34.4	-174	-59.7	-55.5	-177.3	-155.2	0	112.6	F91	F91-K95 HydrophobicContact CD1-CG 4.41Å; F91-K95 HydrophobicContact CD2-CG 4.16Å; F91-K95 HydrophobicContact CE1-CB 4.5Å; F91-K95 HydrophobicContact CE1-CG 4.13Å; F91-K95 HydrophobicContact CE2-CG 3.87Å; F91-K95 HydrophobicContact CG-CG 4.43Å; F91-K95 HydrophobicContact CZ-CG 3.86Å; F91-K95 WeakPolarHBondContact O-CB 3.32Å; F91-K95 WeakPolarHBondContact O-CG 3.36Å; F91-K95 PolarHBondContact O-N 3.35Å
96	C	49	Very low	54.6	Low	27 Å²	27	72.4 Å²	72.4	18%	0.182	39%	0.394	C	S	.	.			trans	-150.8	72.2	-168.7	-63	0	0	0	0	113.3	A92 K98 M99	A92-C96 CarbonylContact O-C 3.58Å; A92-C96 VanDerWaalsContact O-CA 3.23Å; A92-C96 WeakPolarHBondContact O-CA 3.17Å; A92-C96 PolarHBondContact O-N 2.9Å; C96-K98 PolarHBondContact O-N 3.32Å; C96-M99 HydrophobicContact CB-CB 3.78Å; C96-M99 HydrophobicContact CB-CG 3.76Å; C96-M99 HydrophobicContact CB-SD 3.28Å; C96-M99 WeakPolarHBondContact CB-SD 3.42Å; C96-M99 WeakPolarHBondContact O-CB 3.44Å; C96-M99 PolarHBondContact O-N 2.91Å; C96-M99 PolarHBondContact SG-SD 3.39Å
97	P	51	Low	54.3	Low	89 Å²	89	72 Å²	72	58%	0.578	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-58.4	-24.1	-177.4	18.8	-30.5	0	0	0	114.4	M99	P97-M99 VanDerWaalsContact C-N 3.28Å; P97-M99 PolarHBondContact O-N 3.35Å
98	K	52.4	Low	54.3	Low	200 Å²	200	69 Å²	69	87%	0.87	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-71.1	-19.9	173.2	-65.9	-178.1	-178.3	175.7	0	113.6	C96	C96-K98 PolarHBondContact O-N 3.32Å
99	M	51.6	Low	54.2	Low	45 Å²	45	68.9 Å²	68.9	22%	0.222	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-92.7	1.4	-176.6	-70.6	172.1	162.6	0	0	113.5	C96 P97 S101 E102 V103 M142	C96-M99 HydrophobicContact CB-CB 3.78Å; C96-M99 HydrophobicContact CB-CG 3.76Å; C96-M99 HydrophobicContact CB-SD 3.28Å; C96-M99 WeakPolarHBondContact CB-SD 3.42Å; C96-M99 WeakPolarHBondContact O-CB 3.44Å; C96-M99 PolarHBondContact O-N 2.91Å; C96-M99 PolarHBondContact SG-SD 3.39Å; P97-M99 VanDerWaalsContact C-N 3.28Å; P97-M99 PolarHBondContact O-N 3.35Å; M99-S101 PolarHBondContact O-N 3.07Å; M99-S101 VanDerWaalsContact O-N 3.14Å; M99-E102 PolarHBondContact O-N 3.37Å; M99-V103 PolarHBondContact O-N 2.89Å; M99-M142 HydrophobicContact CB-CE 3.74Å; M99-M142 HydrophobicContact CE-CB 3.81Å; M99-M142 HydrophobicContact CE-CE 3.82Å; M99-M142 HydrophobicContact CE-CG 4.25Å; M99-M142 HydrophobicContact CG-CE 3.58Å; M99-M142 HydrophobicContact SD-CB 4.25Å; M99-M142 HydrophobicContact SD-CE 3.32Å; M99-M142 WeakPolarHBondContact SD-CE 3.04Å
100	L	53.1	Low	54.1	Low	75 Å²	75	63.6 Å²	63.6	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-56.5	-30.3	175.7	-72.1	176.4	0	0	0	112.5	A92 A93 A104	A92-L100 HydrophobicContact CB-CD2 4.34Å; A93-L100 HydrophobicContact CB-CD2 4.06Å; L100-A104 VanDerWaalsContact O-CB 3.25Å; L100-A104 WeakPolarHBondContact O-CB 3.21Å; L100-A104 PolarHBondContact O-N 2.89Å
101	S	58.1	Low	54	Low	85 Å²	85	63 Å²	63	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-66.5	-38.3	174.5	53.9	0	0	0	0	112.9	M99 A104 S105	M99-S101 PolarHBondContact O-N 3.07Å; M99-S101 VanDerWaalsContact O-N 3.14Å; S101-A104 PolarHBondContact O-N 3.45Å; S101-S105 PolarHBondContact O-N 2.95Å
102	E	53.5	Low	53.9	Low	75 Å²	75	60.4 Å²	60.4	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-74.3	-40.9	178.2	-65.6	-158.1	158.2	0	0	111.4	M99 A104 S105 T106 M142	M99-E102 PolarHBondContact O-N 3.37Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 2.98Å; E102-S105 WeakPolarHBondContact O-CB 3.28Å; E102-S105 PolarHBondContact O-N 3.27Å; E102-T106 WeakPolarHBondContact O-CB 3.38Å; E102-T106 PolarHBondContact O-N 3.33Å; E102-T106 PolarHBondContact O-OG1 2.87Å; E102-M142 HydrophobicContact CB-CE 4.12Å; E102-M142 WeakPolarHBondContact OE2-CE 3.42Å; E102-M142 VanDerWaalsContact OE2-SD 3.36Å
103	V	53	Low	53.6	Low	16 Å²	16	63.5 Å²	63.5	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-40.4	172	173.1	0	0	0	0	111.3	L88 R89 A92 M99 T106 E107	L88-V103 HydrophobicContact CD2-CG1 4.3Å; R89-V103 HydrophobicContact CG-CG1 3.99Å; A92-V103 HydrophobicContact CB-CB 4.32Å; A92-V103 HydrophobicContact CB-CG2 3.44Å; A92-V103 VanDerWaalsContact CB-CG2 3.44Å; M99-V103 PolarHBondContact O-N 2.89Å; V103-T106 PolarHBondContact O-N 2.82Å; V103-E107 WeakPolarHBondContact O-CB 3.45Å; V103-E107 PolarHBondContact O-N 3.42Å
104	A	58.2	Low	53.5	Low	48 Å²	48	63 Å²	63	40%	0.397	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.7	0	0	0	0	0	112.2	L100 S101 E102 T106 E107 A108	L100-A104 VanDerWaalsContact O-CB 3.25Å; L100-A104 WeakPolarHBondContact O-CB 3.21Å; L100-A104 PolarHBondContact O-N 2.89Å; S101-A104 PolarHBondContact O-N 3.45Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 2.98Å; A104-T106 VanDerWaalsContact C-N 3.31Å; A104-T106 PolarHBondContact O-N 3.32Å; A104-E107 PolarHBondContact O-N 3.34Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.21Å
105	S	57	Low	53.2	Low	57 Å²	57	59.7 Å²	59.7	40%	0.399	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-41.9	175.1	-176	0	0	0	0	111.7	S101 E102 A108 A109	S101-S105 PolarHBondContact O-N 2.95Å; E102-S105 WeakPolarHBondContact O-CB 3.28Å; E102-S105 PolarHBondContact O-N 3.27Å; S105-A108 WeakPolarHBondContact O-CB 3.18Å; S105-A108 PolarHBondContact O-N 2.8Å; S105-A109 PolarHBondContact O-N 3.5Å
106	T	53.7	Low	52.9	Low	23 Å²	23	62.4 Å²	62.4	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-69.1	-42.3	-179.3	-42.3	0	0	0	0	110.5	E102 V103 A104 A108 A109 L110 W135	E102-T106 WeakPolarHBondContact O-CB 3.38Å; E102-T106 PolarHBondContact O-N 3.33Å; E102-T106 PolarHBondContact O-OG1 2.87Å; V103-T106 PolarHBondContact O-N 2.82Å; A104-T106 VanDerWaalsContact C-N 3.31Å; A104-T106 PolarHBondContact O-N 3.32Å; T106-A108 VanDerWaalsContact C-N 3.33Å; T106-A108 PolarHBondContact O-N 3.5Å; T106-A109 WeakPolarHBondContact O-CB 3.42Å; T106-A109 PolarHBondContact O-N 2.92Å; T106-L110 PolarHBondContact O-N 3.41Å; T106-W135 HydrophobicContact CG2-CD2 3.57Å; T106-W135 HydrophobicContact CG2-CE3 3.89Å; T106-W135 HydrophobicContact CG2-CG 4.2Å; T106-W135 HydrophobicContact CG2-CH2 3.5Å; T106-W135 HydrophobicContact CG2-CZ2 3.2Å; T106-W135 HydrophobicContact CG2-CZ3 3.86Å; T106-W135 WeakPolarHBondContact O-CH2 3.46Å; T106-W135 WeakPolarHBondContact O-CZ2 3.29Å
107	E	55.6	Low	52.5	Low	38 Å²	38	63.2 Å²	63.2	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-40.8	172.2	-178.5	-175.8	174	0	0	112.7	V85 R89 V103 A104 A109 L110 T111	V85-E107 HydrophobicContact CG1-CB 4.42Å; V85-E107 HydrophobicContact CG1-CG 3.64Å; V85-E107 WeakPolarHBondContact CG1-OE1 3.41Å; R89-E107 VanDerWaalsContact CZ-CD 3.47Å; R89-E107 IonicContact CZ-OE1 2.73Å; R89-E107 IonicContact CZ-OE2 3.7Å; R89-E107 IonicContact NE-OE1 2.74Å; R89-E107 IonicContact NE-OE2 3.68Å; R89-E107 PolarHBondContact NE-OE2 3.01Å; R89-E107 IonicContact NH1-OE1 2.68Å; R89-E107 IonicContact NH2-OE1 3.19Å; R89-E107 PolarHBondContact NH2-OE1 2.89Å; R89-E107 IonicContact NH2-OE2 2.94Å; R89-E107 PolarHBondContact NH2-OE2 3.31Å; V103-E107 WeakPolarHBondContact O-CB 3.45Å; V103-E107 PolarHBondContact O-N 3.42Å; A104-E107 PolarHBondContact O-N 3.34Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-L110 PolarHBondContact O-N 3.45Å; E107-T111 WeakPolarHBondContact O-CB 3.24Å; E107-T111 PolarHBondContact O-N 3.22Å; E107-T111 PolarHBondContact O-OG1 2.82Å
108	A	57.8	Low	52	Low	29 Å²	29	61.5 Å²	61.5	24%	0.24	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.9	0	0	0	0	0	110.9	I15 A104 S105 T106 T111 A112	I15-A108 HydrophobicContact CD1-CB 4.16Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.21Å; S105-A108 WeakPolarHBondContact O-CB 3.18Å; S105-A108 PolarHBondContact O-N 2.8Å; T106-A108 VanDerWaalsContact C-N 3.33Å; T106-A108 PolarHBondContact O-N 3.5Å; A108-T111 PolarHBondContact O-N 3.43Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.35Å; A108-A112 PolarHBondContact O-N 3.39Å
109	A	53.5	Low	51.5	Low	38 Å²	38	58 Å²	58	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-41.1	175.5	0	0	0	0	0	112.4	S105 T106 E107 A112 Y113	S105-A109 PolarHBondContact O-N 3.5Å; T106-A109 WeakPolarHBondContact O-CB 3.42Å; T106-A109 PolarHBondContact O-N 2.92Å; E107-A109 VanDerWaalsContact C-N 3.33Å; A109-A112 PolarHBondContact O-N 3.48Å; A109-Y113 WeakPolarHBondContact O-CB 3.42Å; A109-Y113 PolarHBondContact O-N 3.37Å
110	L	53.6	Low	51	Low	12 Å²	12	61.9 Å²	61.9	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-44.9	174.6	-154.3	83.6	0	0	0	111.2	I81 V85 T106 E107 A112 Y113 V114 I131 W135	I81-L110 HydrophobicContact CG2-CD2 3.8Å; V85-L110 HydrophobicContact CG2-CD2 4.38Å; T106-L110 PolarHBondContact O-N 3.41Å; E107-L110 PolarHBondContact O-N 3.45Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-Y113 WeakPolarHBondContact O-CB 3.34Å; L110-Y113 PolarHBondContact O-N 2.87Å; L110-V114 WeakPolarHBondContact O-CB 3.42Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.32Å; L110-I131 HydrophobicContact CD1-CG2 4.37Å; L110-W135 HydrophobicContact CB-CH2 3.5Å; L110-W135 HydrophobicContact CB-CZ2 3.48Å; L110-W135 VanDerWaalsContact CB-CZ2 3.48Å; L110-W135 HydrophobicContact CD1-CD2 4.47Å; L110-W135 HydrophobicContact CD1-CH2 3.65Å; L110-W135 HydrophobicContact CD1-CZ2 3.32Å; L110-W135 HydrophobicContact CD1-CZ3 4.29Å; L110-W135 HydrophobicContact CD2-CH2 4.09Å; L110-W135 HydrophobicContact CG-CH2 3.92Å; L110-W135 HydrophobicContact CG-CZ2 3.92Å
111	T	54.7	Low	50.3	Low	75 Å²	75	63.6 Å²	63.6	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-45.7	179.4	-59.5	0	0	0	0	109.7	E107 A108 Y113 V114 C115	E107-T111 WeakPolarHBondContact O-CB 3.24Å; E107-T111 PolarHBondContact O-N 3.22Å; E107-T111 PolarHBondContact O-OG1 2.82Å; A108-T111 PolarHBondContact O-N 3.43Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.38Å; T111-V114 PolarHBondContact O-N 3.2Å; T111-C115 VanDerWaalsContact O-CB 3.24Å; T111-C115 WeakPolarHBondContact O-CB 3.28Å; T111-C115 PolarHBondContact O-N 3.35Å; T111-C115 PolarHBondContact O-SG 3.02Å
112	A	54.1	Low	49.6	Very low	49 Å²	49	63.2 Å²	63.2	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-42	174.4	0	0	0	0	0	111.9	A108 A109 L110 C115 K116	A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.35Å; A108-A112 PolarHBondContact O-N 3.39Å; A109-A112 PolarHBondContact O-N 3.48Å; L110-A112 VanDerWaalsContact C-N 3.33Å; A112-C115 PolarHBondContact O-N 3.31Å; A112-K116 WeakPolarHBondContact O-CB 3.36Å; A112-K116 PolarHBondContact O-N 2.85Å
113	Y	46.8	Very low	48.7	Very low	74 Å²	74	64.1 Å²	64.1	29%	0.29	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-49.1	175.8	180	-93.6	0	0	0	112	A109 L110 T111 C115 K116 K117 I131	A109-Y113 WeakPolarHBondContact O-CB 3.42Å; A109-Y113 PolarHBondContact O-N 3.37Å; L110-Y113 WeakPolarHBondContact O-CB 3.34Å; L110-Y113 PolarHBondContact O-N 2.87Å; T111-Y113 VanDerWaalsContact C-N 3.33Å; T111-Y113 PolarHBondContact O-N 3.38Å; Y113-C115 PolarHBondContact O-N 3.11Å; Y113-K116 PolarHBondContact O-N 2.82Å; Y113-K117 HydrophobicContact CE1-CD 3.99Å; Y113-K117 WeakPolarHBondContact O-CB 3.06Å; Y113-K117 PolarHBondContact O-N 2.93Å; Y113-K117 PolarHBondContact OH-NZ 3.18Å; Y113-I131 HydrophobicContact CD1-CD1 4.05Å; Y113-I131 HydrophobicContact CD2-CD1 4.08Å; Y113-I131 HydrophobicContact CE1-CD1 3.57Å; Y113-I131 HydrophobicContact CE2-CD1 3.58Å; Y113-I131 HydrophobicContact CG-CD1 4.29Å
114	V	50	Low	48	Very low	38 Å²	38	67 Å²	67	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-62.4	-44	178.7	172.2	0	0	0	0	110.4	L110 T111 K117 A118 A125	L110-V114 WeakPolarHBondContact O-CB 3.42Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.32Å; T111-V114 PolarHBondContact O-N 3.2Å; V114-K117 PolarHBondContact O-N 2.91Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 3.47Å; V114-A125 HydrophobicContact CG1-CB 4.18Å
115	C	46.7	Very low	47.2	Very low	70 Å²	70	66.3 Å²	66.3	47%	0.473	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-47.8	177.6	-72.2	0	0	0	0	111.8	T111 A112 Y113 K117 A118 V119	T111-C115 VanDerWaalsContact O-CB 3.24Å; T111-C115 WeakPolarHBondContact O-CB 3.28Å; T111-C115 PolarHBondContact O-N 3.35Å; T111-C115 PolarHBondContact O-SG 3.02Å; A112-C115 PolarHBondContact O-N 3.31Å; Y113-C115 PolarHBondContact O-N 3.11Å; C115-K117 VanDerWaalsContact C-N 3.3Å; C115-K117 PolarHBondContact O-N 3.44Å; C115-A118 PolarHBondContact O-N 3.4Å; C115-V119 WeakPolarHBondContact O-CG2 3.32Å; C115-V119 PolarHBondContact O-N 2.88Å
116	K	48.6	Very low	46.4	Very low	148 Å²	148	69.4 Å²	69.4	64%	0.643	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-39	178.2	-170.3	172.5	-176.3	177.1	0	111.6	A112 Y113 V119 M120	A112-K116 WeakPolarHBondContact O-CB 3.36Å; A112-K116 PolarHBondContact O-N 2.85Å; Y113-K116 PolarHBondContact O-N 2.82Å; K116-V119 PolarHBondContact O-N 3.32Å; K116-M120 WeakPolarHBondContact O-CG 3.5Å; K116-M120 PolarHBondContact O-N 3.21Å
117	K	39.3	Very low	46	Very low	44 Å²	44	70 Å²	70	19%	0.191	42%	0.418	C	S	.	.	H	α-helix	trans	-74.6	-35.7	178.7	-159.6	167	-170	168.8	0	112.8	Y113 V114 C115 V119 M120 N121 A125 K126	Y113-K117 HydrophobicContact CE1-CD 3.99Å; Y113-K117 WeakPolarHBondContact O-CB 3.06Å; Y113-K117 PolarHBondContact O-N 2.93Å; Y113-K117 PolarHBondContact OH-NZ 3.18Å; V114-K117 PolarHBondContact O-N 2.91Å; C115-K117 VanDerWaalsContact C-N 3.3Å; C115-K117 PolarHBondContact O-N 3.44Å; K117-V119 VanDerWaalsContact C-N 3.29Å; K117-V119 PolarHBondContact O-N 2.92Å; K117-M120 PolarHBondContact O-N 2.68Å; K117-N121 PolarHBondContact O-N 3.04Å; K117-N121 VanDerWaalsContact O-N 3.09Å; K117-A125 HydrophobicContact CB-CB 4.47Å; K117-K126 PolarHBondContact NZ-O 3.17Å
118	A	40.3	Very low	45.3	Very low	53 Å²	53	70.6 Å²	70.6	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-39	172.5	0	0	0	0	0	111.6	V114 C115 G122	V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 3.47Å; C115-A118 PolarHBondContact O-N 3.4Å; A118-G122 PolarHBondContact O-N 2.84Å
119	V	41.7	Very low	44.6	Very low	127 Å²	127	72.9 Å²	72.9	77%	0.77	44%	0.438	S	S	*	.	H	α-helix	trans	-68.3	-37.6	174.9	172.6	0	0	0	0	111.9	C115 K116 K117	C115-V119 WeakPolarHBondContact O-CG2 3.32Å; C115-V119 PolarHBondContact O-N 2.88Å; K116-V119 PolarHBondContact O-N 3.32Å; K117-V119 VanDerWaalsContact C-N 3.29Å; K117-V119 PolarHBondContact O-N 2.92Å
120	M	42.8	Very low	44	Very low	125 Å²	125	77.9 Å²	77.9	62%	0.616	46%	0.459	S	S	*	.	H	α-helix	trans	-75.2	-36.5	-178.1	-73.9	-170.8	-42.2	0	0	114.3	K116 K117	K116-M120 WeakPolarHBondContact O-CG 3.5Å; K116-M120 PolarHBondContact O-N 3.21Å; K117-M120 PolarHBondContact O-N 2.68Å
121	N	38.3	Very low	43.8	Very low	111 Å²	111	79.3 Å²	79.3	59%	0.594	47%	0.466	S	S	*	.	H	α-helix	trans	-122.1	-0.9	-168.2	-84.8	15.8	0	0	0	116.5	K117 T123	K117-N121 PolarHBondContact O-N 3.04Å; K117-N121 VanDerWaalsContact O-N 3.09Å; N121-T123 WeakPolarHBondContact O-CB 3.1Å; N121-T123 PolarHBondContact O-N 3.43Å; N121-T123 PolarHBondContact O-OG1 3.3Å
122	G	43.4	Very low	43.6	Very low	78 Å²	78	77.2 Å²	77.2	80%	0.804	45%	0.453	S	S	*	.	S	Bend	trans	54.2	11.3	-180	0	0	0	0	0	114.8	A118	A118-G122 PolarHBondContact O-N 2.84Å
123	T	34.6	Very low	43.2	Very low	94 Å²	94	78.5 Å²	78.5	58%	0.577	45%	0.451	S	S	*	.	S	Bend	trans	-141.5	133.3	-166.9	-43.7	0	0	0	0	107	N121 A125	N121-T123 WeakPolarHBondContact O-CB 3.1Å; N121-T123 PolarHBondContact O-N 3.43Å; N121-T123 PolarHBondContact O-OG1 3.3Å; T123-A125 PolarHBondContact O-N 2.82Å
124	T	38.2	Very low	43.6	Very low	76 Å²	76	77.3 Å²	77.3	47%	0.466	46%	0.461	S	S	.	.			trans	-24.6	120.3	-178.2	45.9	0	0	0	0	114.3	K75 K126	K75-T124 HydrophobicContact CD-CG2 4.04Å; K75-T124 HydrophobicContact CG-CG2 4.29Å; T124-K126 PolarHBondContact O-N 3.34Å
125	A	39.8	Very low	43.7	Very low	33 Å²	33	77.7 Å²	77.7	27%	0.273	46%	0.458	S	S	.	.			trans	-56.8	104.6	-179.8	0	0	0	0	0	110.5	V114 K117 T123 V127	V114-A125 HydrophobicContact CG1-CB 4.18Å; K117-A125 HydrophobicContact CB-CB 4.47Å; T123-A125 PolarHBondContact O-N 2.82Å; A125-V127 PolarHBondContact O-N 2.85Å
126	K	41.4	Very low	44.1	Very low	123 Å²	123	75.4 Å²	75.4	54%	0.535	44%	0.441	S	S	.	.			trans	-67.5	100.1	166.9	-63.2	-173.6	178.3	-170.5	0	107.2	K117 T124 S128	K117-K126 PolarHBondContact NZ-O 3.17Å; T124-K126 PolarHBondContact O-N 3.34Å; K126-S128 PolarHBondContact O-N 2.94Å
127	V	44.2	Very low	44.6	Very low	36 Å²	36	70.1 Å²	70.1	22%	0.218	43%	0.429	C	S	.	.			trans	-74.8	111.6	169.9	-179.9	0	0	0	0	106.1	A125 V132	A125-V127 PolarHBondContact O-N 2.85Å; V127-V132 HydrophobicContact CG1-CG2 4Å
128	S	41.2	Very low	45.3	Very low	50 Å²	50	71.2 Å²	71.2	35%	0.35	43%	0.432	S	S	.	.			trans	-64.8	136.8	178.8	-75.5	0	0	0	0	109.6	K126 L130 I131	K126-S128 PolarHBondContact O-N 2.94Å; S128-L130 PolarHBondContact O-N 2.82Å; S128-L130 VanDerWaalsContact O-N 3.08Å; S128-I131 WeakPolarHBondContact O-CB 3.48Å; S128-I131 PolarHBondContact O-N 3.19Å
129	P	43.1	Very low	45.9	Very low	76 Å²	76	71.5 Å²	71.5	49%	0.494	43%	0.425	S	S	.	.	H	α-helix	trans	-50.1	-35.6	175.5	-28	34.2	0	0	0	113.1	I131 V132 E133	P129-I131 VanDerWaalsContact C-N 3.27Å; P129-I131 PolarHBondContact O-N 3.43Å; P129-V132 CarbonylContact O-C 3.39Å; P129-V132 WeakPolarHBondContact O-CA 3.47Å; P129-V132 WeakPolarHBondContact O-CB 3.34Å; P129-V132 PolarHBondContact O-N 3.29Å; P129-E133 PolarHBondContact O-N 3.11Å
130	L	41.4	Very low	46.6	Very low	143 Å²	143	67.6 Å²	67.6	75%	0.749	40%	0.398	S	S	*	.	H	α-helix	trans	-57.6	-32.7	176.8	-64.8	175.4	0	0	0	114.5	S128 V132 G134	S128-L130 PolarHBondContact O-N 2.82Å; S128-L130 VanDerWaalsContact O-N 3.08Å; L130-V132 VanDerWaalsContact C-N 3.28Å; L130-G134 PolarHBondContact O-N 3.17Å
131	I	49.3	Very low	47.4	Very low	43 Å²	43	66.1 Å²	66.1	22%	0.221	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-38.9	175.9	-64	173.9	0	0	0	109.1	L110 Y113 S128 P129 G134 W135	L110-I131 HydrophobicContact CD1-CG2 4.37Å; Y113-I131 HydrophobicContact CD1-CD1 4.05Å; Y113-I131 HydrophobicContact CD2-CD1 4.08Å; Y113-I131 HydrophobicContact CE1-CD1 3.57Å; Y113-I131 HydrophobicContact CE2-CD1 3.58Å; Y113-I131 HydrophobicContact CG-CD1 4.29Å; S128-I131 WeakPolarHBondContact O-CB 3.48Å; S128-I131 PolarHBondContact O-N 3.19Å; P129-I131 VanDerWaalsContact C-N 3.27Å; P129-I131 PolarHBondContact O-N 3.43Å; I131-G134 PolarHBondContact O-N 2.81Å; I131-W135 PolarHBondContact O-N 3.47Å
132	V	49.9	Very low	47.8	Very low	30 Å²	30	61.7 Å²	61.7	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-71.6	-42.3	179.7	-166.6	0	0	0	0	110.5	F42 V127 P129 L130 G134 W135 I136	F42-V132 HydrophobicContact CD2-CG1 4.23Å; F42-V132 HydrophobicContact CE1-CG1 4.49Å; F42-V132 HydrophobicContact CE2-CB 4.39Å; F42-V132 HydrophobicContact CE2-CG1 3.25Å; F42-V132 HydrophobicContact CZ-CB 4.09Å; F42-V132 HydrophobicContact CZ-CG1 3.41Å; F42-V132 VanDerWaalsContact CZ-CG1 3.41Å; V127-V132 HydrophobicContact CG1-CG2 4Å; P129-V132 CarbonylContact O-C 3.39Å; P129-V132 WeakPolarHBondContact O-CA 3.47Å; P129-V132 WeakPolarHBondContact O-CB 3.34Å; P129-V132 PolarHBondContact O-N 3.29Å; L130-V132 VanDerWaalsContact C-N 3.28Å; V132-G134 VanDerWaalsContact C-N 3.35Å; V132-G134 PolarHBondContact O-N 3.49Å; V132-W135 WeakPolarHBondContact O-CA 3.33Å; V132-W135 WeakPolarHBondContact O-CB 3.47Å; V132-W135 PolarHBondContact O-N 2.81Å; V132-W135 VanDerWaalsContact O-N 3.09Å; V132-I136 HydrophobicContact CG1-CD1 4.17Å; V132-I136 WeakPolarHBondContact O-CD1 3.43Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.16Å; V132-I136 PolarHBondContact O-N 2.81Å
133	E	46.9	Very low	48.2	Very low	77 Å²	77	61 Å²	61	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-45.8	170.8	-68.8	-68.7	143	0	0	111.9	P129 W135 I136 G137	P129-E133 PolarHBondContact O-N 3.11Å; E133-W135 VanDerWaalsContact C-N 3.26Å; E133-W135 PolarHBondContact O-N 3.36Å; E133-I136 PolarHBondContact O-N 3.45Å; E133-I136 VanDerWaalsContact O-N 3.16Å; E133-G137 PolarHBondContact O-N 2.73Å
134	G	54.1	Low	49.3	Very low	48 Å²	48	57.9 Å²	57.9	50%	0.495	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-31.4	175.6	0	0	0	0	0	113.4	L130 I131 V132 R138	L130-G134 PolarHBondContact O-N 3.17Å; I131-G134 PolarHBondContact O-N 2.81Å; V132-G134 VanDerWaalsContact C-N 3.35Å; V132-G134 PolarHBondContact O-N 3.49Å; G134-R138 PolarHBondContact O-N 2.6Å
135	W	52.4	Low	49.9	Very low	47 Å²	47	57.7 Å²	57.7	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-71	-40.3	172.6	-79.9	34.4	0	0	0	112.3	L88 T106 L110 I131 V132 E133 R138 I139	L88-W135 HydrophobicContact CD2-CE3 4.3Å; L88-W135 HydrophobicContact CD2-CZ3 4.08Å; T106-W135 HydrophobicContact CG2-CD2 3.57Å; T106-W135 HydrophobicContact CG2-CE3 3.89Å; T106-W135 HydrophobicContact CG2-CG 4.2Å; T106-W135 HydrophobicContact CG2-CH2 3.5Å; T106-W135 HydrophobicContact CG2-CZ2 3.2Å; T106-W135 HydrophobicContact CG2-CZ3 3.86Å; T106-W135 WeakPolarHBondContact O-CH2 3.46Å; T106-W135 WeakPolarHBondContact O-CZ2 3.29Å; L110-W135 HydrophobicContact CB-CH2 3.5Å; L110-W135 HydrophobicContact CB-CZ2 3.48Å; L110-W135 VanDerWaalsContact CB-CZ2 3.48Å; L110-W135 HydrophobicContact CD1-CD2 4.47Å; L110-W135 HydrophobicContact CD1-CH2 3.65Å; L110-W135 HydrophobicContact CD1-CZ2 3.32Å; L110-W135 HydrophobicContact CD1-CZ3 4.29Å; L110-W135 HydrophobicContact CD2-CH2 4.09Å; L110-W135 HydrophobicContact CG-CH2 3.92Å; L110-W135 HydrophobicContact CG-CZ2 3.92Å; I131-W135 PolarHBondContact O-N 3.47Å; V132-W135 WeakPolarHBondContact O-CA 3.33Å; V132-W135 WeakPolarHBondContact O-CB 3.47Å; V132-W135 PolarHBondContact O-N 2.81Å; V132-W135 VanDerWaalsContact O-N 3.09Å; E133-W135 VanDerWaalsContact C-N 3.26Å; E133-W135 PolarHBondContact O-N 3.36Å; W135-R138 WeakPolarHBondContact O-CB 3.23Å; W135-R138 PolarHBondContact O-N 2.99Å; W135-I139 WeakPolarHBondContact O-CG1 3.43Å; W135-I139 PolarHBondContact O-N 2.99Å
136	I	56.3	Low	50.4	Low	22 Å²	22	62.1 Å²	62.1	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-52.8	178.2	-67.6	154.3	0	0	0	109.7	P38 F42 V132 E133 R138 I139 E140	P38-I136 HydrophobicContact CB-CG2 3.73Å; F42-I136 HydrophobicContact CB-CD1 3.6Å; F42-I136 HydrophobicContact CB-CG1 4.39Å; F42-I136 HydrophobicContact CD1-CD1 3.71Å; F42-I136 HydrophobicContact CD2-CD1 3.34Å; F42-I136 HydrophobicContact CD2-CG1 4.13Å; F42-I136 HydrophobicContact CE1-CD1 4.13Å; F42-I136 HydrophobicContact CE2-CD1 3.83Å; F42-I136 HydrophobicContact CG-CD1 3.26Å; F42-I136 HydrophobicContact CG-CG1 4.33Å; F42-I136 HydrophobicContact CZ-CD1 4.18Å; V132-I136 HydrophobicContact CG1-CD1 4.17Å; V132-I136 WeakPolarHBondContact O-CD1 3.43Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.16Å; V132-I136 PolarHBondContact O-N 2.81Å; E133-I136 PolarHBondContact O-N 3.45Å; E133-I136 VanDerWaalsContact O-N 3.16Å; I136-R138 PolarHBondContact O-N 3.47Å; I136-I139 PolarHBondContact O-N 3.01Å; I136-E140 HydrophobicContact CG2-CG 4.32Å; I136-E140 WeakPolarHBondContact O-CG 3.25Å; I136-E140 PolarHBondContact O-N 3.14Å
137	G	57.6	Low	50.9	Low	37 Å²	37	62.5 Å²	62.5	38%	0.381	34%	0.343	S	S	.	.	H	α-helix	trans	-55.5	-30.7	177.8	0	0	0	0	0	112.3	E133 W141	E133-G137 PolarHBondContact O-N 2.73Å; G137-W141 VanDerWaalsContact O-CB 3.27Å; G137-W141 WeakPolarHBondContact O-CB 3.41Å; G137-W141 PolarHBondContact O-N 2.68Å
138	R	53.9	Low	50.8	Low	67 Å²	67	66.4 Å²	66.4	25%	0.253	39%	0.391	S	S	.	.	H	α-helix	trans	-71.9	-45.7	173.3	-164.5	178.8	-150.6	91.2	13.5	113.4	F23 G134 W135 I136 E140 W141 M142	F23-R138 VanDerWaalsContact CD1-NH1 3.29Å; F23-R138 VanDerWaalsContact CZ-NE 3.33Å; G134-R138 PolarHBondContact O-N 2.6Å; W135-R138 WeakPolarHBondContact O-CB 3.23Å; W135-R138 PolarHBondContact O-N 2.99Å; I136-R138 PolarHBondContact O-N 3.47Å; R138-E140 PolarHBondContact O-N 2.93Å; R138-W141 PolarHBondContact O-N 3.47Å; R138-M142 HydrophobicContact CG-SD 4.25Å; R138-M142 WeakPolarHBondContact O-CB 3.21Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.28Å
139	I	53.5	Low	51.3	Low	58 Å²	58	67.3 Å²	67.3	30%	0.297	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-38.1	176.6	-68.2	169.7	0	0	0	110.3	L88 F91 W135 I136 M142 D143	L88-I139 HydrophobicContact CD1-CD1 3.85Å; L88-I139 HydrophobicContact CD2-CD1 4.29Å; L88-I139 HydrophobicContact CG-CD1 4.31Å; F91-I139 HydrophobicContact CE1-CG2 4.5Å; W135-I139 WeakPolarHBondContact O-CG1 3.43Å; W135-I139 PolarHBondContact O-N 2.99Å; I136-I139 PolarHBondContact O-N 3.01Å; I139-M142 WeakPolarHBondContact O-CB 3.3Å; I139-M142 PolarHBondContact O-N 3.49Å; I139-D143 PolarHBondContact O-N 3.03Å
140	E	56.6	Low	51.7	Low	46 Å²	46	66.8 Å²	66.8	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-71.2	-42.7	177.2	-67.4	-166.5	128.2	0	0	113.7	P38 I136 R138 M142 D143 G144	P38-E140 WeakPolarHBondContact CA-OE1 3.38Å; P38-E140 HydrophobicContact CB-CG 4.39Å; P38-E140 WeakPolarHBondContact CB-OE1 3.3Å; P38-E140 WeakPolarHBondContact CB-OE2 3.47Å; P38-E140 WeakPolarHBondContact CD-OE1 3.31Å; P38-E140 VanDerWaalsContact CG-CD 3.43Å; P38-E140 WeakPolarHBondContact CG-OE1 3.48Å; P38-E140 WeakPolarHBondContact CG-OE2 3.37Å; P38-E140 VanDerWaalsContact N-OE1 3.11Å; I136-E140 HydrophobicContact CG2-CG 4.32Å; I136-E140 WeakPolarHBondContact O-CG 3.25Å; I136-E140 PolarHBondContact O-N 3.14Å; R138-E140 PolarHBondContact O-N 2.93Å; E140-M142 PolarHBondContact O-N 2.91Å; E140-D143 PolarHBondContact O-N 3.31Å; E140-D143 VanDerWaalsContact O-N 3.12Å; E140-G144 PolarHBondContact O-N 3.29Å
141	W	59.3	Low	52.3	Low	93 Å²	93	62.6 Å²	62.6	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-38.8	171.3	-179.6	87	0	0	0	110.7	G137 R138 L145	G137-W141 VanDerWaalsContact O-CB 3.27Å; G137-W141 WeakPolarHBondContact O-CB 3.41Å; G137-W141 PolarHBondContact O-N 2.68Å; R138-W141 PolarHBondContact O-N 3.47Å; W141-L145 HydrophobicContact CD2-CD1 4.18Å; W141-L145 HydrophobicContact CE3-CD1 3.82Å; W141-L145 HydrophobicContact CH2-CD1 3.59Å; W141-L145 HydrophobicContact CZ2-CD1 3.96Å; W141-L145 HydrophobicContact CZ3-CD1 3.51Å; W141-L145 PolarHBondContact O-N 3.29Å
142	M	46.4	Very low	52.5	Low	19 Å²	19	63.7 Å²	63.7	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-34.6	174.9	-69.4	170.3	68.7	0	0	113.7	M99 E102 R138 I139 E140 L145	M99-M142 HydrophobicContact CB-CE 3.74Å; M99-M142 HydrophobicContact CE-CB 3.81Å; M99-M142 HydrophobicContact CE-CE 3.82Å; M99-M142 HydrophobicContact CE-CG 4.25Å; M99-M142 HydrophobicContact CG-CE 3.58Å; M99-M142 HydrophobicContact SD-CB 4.25Å; M99-M142 HydrophobicContact SD-CE 3.32Å; M99-M142 WeakPolarHBondContact SD-CE 3.04Å; E102-M142 HydrophobicContact CB-CE 4.12Å; E102-M142 WeakPolarHBondContact OE2-CE 3.42Å; E102-M142 VanDerWaalsContact OE2-SD 3.36Å; R138-M142 HydrophobicContact CG-SD 4.25Å; R138-M142 WeakPolarHBondContact O-CB 3.21Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.28Å; I139-M142 WeakPolarHBondContact O-CB 3.3Å; I139-M142 PolarHBondContact O-N 3.49Å; E140-M142 PolarHBondContact O-N 2.91Å; M142-L145 WeakPolarHBondContact O-CB 3.39Å
143	D	51.7	Low	52.6	Low	64 Å²	64	65.8 Å²	65.8	34%	0.342	39%	0.388	S	S	.	.	H	α-helix	trans	-74.7	-37.1	175.9	-158.5	46.6	0	0	0	111.3	I139 E140 L145 K146	I139-D143 PolarHBondContact O-N 3.03Å; E140-D143 PolarHBondContact O-N 3.31Å; E140-D143 VanDerWaalsContact O-N 3.12Å; D143-L145 PolarHBondContact O-N 3.41Å; D143-K146 WeakPolarHBondContact O-CB 3.47Å; D143-K146 PolarHBondContact O-N 3.08Å
144	G	58.6	Low	53	Low	28 Å²	28	65.1 Å²	65.1	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-29.6	174	0	0	0	0	0	113.6	E140 K146 D147	E140-G144 PolarHBondContact O-N 3.29Å; G144-K146 PolarHBondContact O-N 3.13Å; G144-K146 VanDerWaalsContact O-N 3.11Å; G144-D147 PolarHBondContact O-N 3.36Å
145	L	49.7	Very low	52.9	Low	72 Å²	72	66.3 Å²	66.3	38%	0.377	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.6	171.7	-103.6	155.8	0	0	0	114	L30 W141 M142 D143	L30-L145 HydrophobicContact CD1-CD2 4.41Å; L30-L145 HydrophobicContact CD1-CG 4.43Å; W141-L145 HydrophobicContact CD2-CD1 4.18Å; W141-L145 HydrophobicContact CE3-CD1 3.82Å; W141-L145 HydrophobicContact CH2-CD1 3.59Å; W141-L145 HydrophobicContact CZ2-CD1 3.96Å; W141-L145 HydrophobicContact CZ3-CD1 3.51Å; W141-L145 PolarHBondContact O-N 3.29Å; M142-L145 WeakPolarHBondContact O-CB 3.39Å; D143-L145 PolarHBondContact O-N 3.41Å
146	K	50.5	Low	53	Low	126 Å²	126	67.8 Å²	67.8	55%	0.548	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.8	-179.5	-159.1	172	172.7	175.3	0	113.3	D143 G144	D143-K146 WeakPolarHBondContact O-CB 3.47Å; D143-K146 PolarHBondContact O-N 3.08Å; G144-K146 PolarHBondContact O-N 3.13Å; G144-K146 VanDerWaalsContact O-N 3.11Å
147	D	51.6	Low	52.7	Low	130 Å²	130	71.6 Å²	71.6	70%	0.695	42%	0.423	S	S	*	.			trans	-108.5	2	-175.9	-69.3	-44.2	0	0	0	114.2	G144	G144-D147 PolarHBondContact O-N 3.36Å
148	G	42.8	Very low	52.2	Low	119 Å²	119	74.7 Å²	74.7	100%	1.227	43%	0.426	S	S	*	.			trans	-103.4	0	173.5	0	0	0	0	0	112.6

Retrieved 148 of 148 residues in 60.8 ms (Link to these results)

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