G4VLC2_SCHMA Loading...

GYF domain-containing protein

AlphaFold DB , UniProt , Accession G4VLC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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	35.1	Very low	35.6	Very low	226 Å²	226	150.4 Å²	150.4	100%	1.113	76%	0.761	S	S	*	*				0	121.9	0	-73.7	163.6	174.1	0	0	106
2	I	34.7	Very low	35.5	Very low	151 Å²	151	150.8 Å²	150.8	77%	0.774	77%	0.767	S	S	*	*				67.7	112.6	63.8	-62.6	165.9	0	0	0	107.5
3	T	33.2	Very low	34.9	Very low	103 Å²	103	148.1 Å²	148.1	63%	0.632	77%	0.77	S	S	*	*			cis	-154.5	157.5	7.4	10.6	0	0	0	0	109.3
4	E	31.6	Very low	34.5	Very low	166 Å²	166	146.1 Å²	146.1	78%	0.776	77%	0.773	S	S	*	*				40.7	141	90.6	-57.3	-177.6	143	0	0	114.9
5	T	34.8	Very low	34.1	Very low	108 Å²	108	148.6 Å²	148.6	66%	0.663	78%	0.779	S	S	*	*			cis	-153.6	176.5	-2.3	19.1	0	0	0	0	106.6
6	L	36	Very low	33.9	Very low	149 Å²	149	147.1 Å²	147.1	78%	0.78	78%	0.782	S	S	*	*				-161.9	153.9	50.3	-69.9	159.6	0	0	0	106.4
7	K	36.9	Very low	33.6	Very low	143 Å²	143	147.6 Å²	147.6	62%	0.622	79%	0.786	S	S	*	*			cis	75.2	137.8	45.8	-79.3	-176.8	165.8	-86.3	0	115.8
8	E	37.7	Very low	33.4	Very low	121 Å²	121	148 Å²	148	57%	0.565	78%	0.782	S	S	*	*			cis	-91.4	-105.7	5.7	-160.5	60	-102.8	0	0	115.2
9	E	38.9	Very low	33.2	Very low	184 Å²	184	148.8 Å²	148.8	86%	0.86	78%	0.779	S	S	*	*			cis	-149.2	166.8	5.8	-58.8	-174.6	116.6	0	0	110.3
10	D	35.2	Very low	33	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	79%	0.789	S	S	*	*			trans	-77.3	158.1	-166.1	-48.9	-34.7	0	0	0	114.2
11	I	37.1	Very low	33	Very low	157 Å²	157	148.5 Å²	148.5	81%	0.805	79%	0.786	S	S	*	*			cis	-139.8	137.5	31.4	-66.4	167.8	0	0	0	112.6
12	D	34.4	Very low	32.6	Very low	155 Å²	155	145 Å²	145	83%	0.829	77%	0.766	S	S	*	*			trans	19.4	117.7	159.8	-63.1	-31.1	0	0	0	121.7
13	S	28.3	Very low	32.2	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	77%	0.767	S	S	*	*			trans	-81.6	152.9	146.3	55.8	0	0	0	0	111.6
14	C	29.7	Very low	31.9	Very low	120 Å²	120	148.2 Å²	148.2	81%	0.811	77%	0.769	S	S	*	*			trans	-159.3	131.5	135.4	-148.1	0	0	0	0	111.7
15	E	27.3	Very low	31.8	Very low	184 Å²	184	147.4 Å²	147.4	86%	0.86	77%	0.768	S	S	*	*			trans	-79.8	141.7	160.7	-65.1	167.9	115.8	0	0	109
16	C	32.1	Very low	31.3	Very low	124 Å²	124	146.5 Å²	146.5	84%	0.838	77%	0.766	S	S	*	*			trans	-151.2	121.7	158.3	-92.4	0	0	0	0	108.8
17	D	27.6	Very low	30.8	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	77%	0.768	S	S	*	*			trans	-61.2	153.2	168.4	-54.1	-93.5	0	0	0	111.4
18	E	30.9	Very low	30.5	Very low	154 Å²	154	148.7 Å²	148.7	72%	0.72	78%	0.776	S	S	*	*				-164.7	119.7	125.6	-107.2	-171.2	166.1	0	0	113.9
19	K	29.7	Very low	29.9	Very low	164 Å²	164	150 Å²	150	71%	0.713	79%	0.787	S	S	*	*			trans	50.2	76.7	137.8	-59.5	162.4	-172.7	164	0	118.2	S21	K19-S21 VanDerWaalsContact C-N 3.32Å; K19-S21 PolarHBondContact O-N 2.79Å
20	L	28.4	Very low	29.5	Very low	188 Å²	188	148.8 Å²	148.8	98%	0.984	79%	0.787	S	S	*	*			trans	-76.3	89.3	143.1	-85.3	169.1	0	0	0	108.7
21	S	33.2	Very low	29.2	Very low	103 Å²	103	146.7 Å²	146.7	72%	0.72	78%	0.78	S	S	*	*			trans	-68.2	136	-179.4	51.9	0	0	0	0	112.4	K19 E23	K19-S21 VanDerWaalsContact C-N 3.32Å; K19-S21 PolarHBondContact O-N 2.79Å; S21-E23 PolarHBondContact O-N 3.23Å
22	E	26.4	Very low	29.2	Very low	152 Å²	152	146 Å²	146	71%	0.71	78%	0.778	S	S	*	*			trans	-62	131.2	165.7	-58.9	-174.7	141.4	0	0	110.6	K24	E22-K24 IonicContact OE1-NZ 3.88Å; E22-K24 PolarHBondContact OE1-NZ 2.91Å; E22-K24 IonicContact OE2-NZ 3.98Å; E22-K24 PolarHBondContact OE2-NZ 3.13Å
23	E	27.6	Very low	29.5	Very low	169 Å²	169	144.6 Å²	144.6	79%	0.79	77%	0.77	S	S	*	*			trans	-122.7	102.3	152.3	-167.9	166.9	-149.7	0	0	109.3	S21 I25	S21-E23 PolarHBondContact O-N 3.23Å; E23-I25 HydrophobicContact CG-CG1 4.23Å; E23-I25 PolarHBondContact O-N 3.25Å
24	K	26.6	Very low	30.3	Very low	153 Å²	153	146.2 Å²	146.2	67%	0.665	77%	0.77	S	S	*	*			trans	-79.4	103.2	173.7	-65.6	-178	173.9	84.8	0	108.7	E22	E22-K24 IonicContact OE1-NZ 3.88Å; E22-K24 PolarHBondContact OE1-NZ 2.91Å; E22-K24 IonicContact OE2-NZ 3.98Å; E22-K24 PolarHBondContact OE2-NZ 3.13Å
25	I	29.2	Very low	31	Very low	149 Å²	149	145.8 Å²	145.8	76%	0.764	76%	0.759	S	S	*	*			trans	-102.2	107.5	161.2	-58.3	-175.6	0	0	0	108.2	E23	E23-I25 HydrophobicContact CG-CG1 4.23Å; E23-I25 PolarHBondContact O-N 3.25Å
26	S	23.9	Very low	32.3	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	74%	0.736	S	S	*	*			trans	-108.9	149.9	-180	56	0	0	0	0	111.1
27	M	25.4	Very low	33.3	Very low	166 Å²	166	139.6 Å²	139.6	82%	0.818	72%	0.724	S	S	*	*			trans	72.3	145.9	177.3	-38.8	-165.1	-60.7	0	0	112.3
28	E	30	Very low	34.3	Very low	171 Å²	171	134.2 Å²	134.2	80%	0.799	69%	0.692	S	S	*	*			cis	-135.4	169.1	21.7	-66.5	174.4	142.4	0	0	113.1
29	D	26.5	Very low	35.5	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	67%	0.673	S	S	*	*			trans	-63.4	131.9	169.1	-88.3	-58.5	0	0	0	111.6
30	N	30.7	Very low	36.9	Very low	160 Å²	160	126 Å²	126	86%	0.856	66%	0.657	S	S	*	*			trans	-145.7	111.4	156.6	-92.5	-71.4	0	0	0	109.8
31	T	29.2	Very low	37.9	Very low	102 Å²	102	119 Å²	119	63%	0.626	63%	0.626	S	S	*	*			trans	-96.9	157.6	-167.1	46.6	0	0	0	0	114.4	D33	T31-D33 PolarHBondContact O-N 2.69Å
32	D	36.8	Very low	38.8	Very low	143 Å²	143	114.8 Å²	114.8	77%	0.765	60%	0.595	S	S	*	*	S	Bend	trans	75.4	-8.6	146.7	-66.6	-8.2	0	0	0	123.5	N36	D32-N36 PolarHBondContact O-ND2 3.12Å
33	D	39.8	Very low	40.4	Very low	124 Å²	124	109.7 Å²	109.7	66%	0.663	57%	0.572	S	S	*	*	S	Bend	trans	-93	-33.9	-175.1	-106.5	-27.7	0	0	0	117.7	T31 D35 N36	T31-D33 PolarHBondContact O-N 2.69Å; D33-D35 VanDerWaalsContact C-N 3.27Å; D33-D35 PolarHBondContact O-N 3.47Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.38Å; D33-N36 PolarHBondContact OD1-ND2 3.22Å
34	D	44.8	Very low	41.7	Very low	151 Å²	151	108 Å²	108	81%	0.807	56%	0.562	S	S	*	*	H	α-helix	trans	-62.7	-28.8	-174.8	-110.1	26.7	0	0	0	113.9	N36 D37	D34-N36 VanDerWaalsContact C-N 3.27Å; D34-N36 PolarHBondContact O-N 3.02Å; D34-D37 PolarHBondContact O-N 3.21Å
35	D	45.5	Very low	42.6	Very low	110 Å²	110	102.8 Å²	102.8	59%	0.588	54%	0.541	S	S	*	.	H	α-helix	trans	-73.1	-18.2	175.1	-101.7	-41.3	0	0	0	112.5	D33 Y38	D33-D35 VanDerWaalsContact C-N 3.27Å; D33-D35 PolarHBondContact O-N 3.47Å; D35-Y38 HydrophobicContact CB-CE1 4.38Å; D35-Y38 WeakPolarHBondContact OD1-CE1 3.44Å; D35-Y38 PolarHBondContact OD1-OH 2.92Å
36	N	53.5	Low	43.6	Very low	70 Å²	70	95.9 Å²	95.9	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-76.4	-28.2	171.4	-72	-49.8	0	0	0	112.3	D32 D33 D34 K39 L40	D32-N36 PolarHBondContact O-ND2 3.12Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.38Å; D33-N36 PolarHBondContact OD1-ND2 3.22Å; D34-N36 VanDerWaalsContact C-N 3.27Å; D34-N36 PolarHBondContact O-N 3.02Å; N36-K39 CarbonylContact O-C 3.24Å; N36-K39 WeakPolarHBondContact O-CB 3.43Å; N36-K39 PolarHBondContact O-N 3.42Å; N36-L40 VanDerWaalsContact O-CB 3.25Å; N36-L40 WeakPolarHBondContact O-CB 3.36Å; N36-L40 PolarHBondContact O-N 2.69Å
37	D	54.3	Low	44.9	Very low	108 Å²	108	93.1 Å²	93.1	58%	0.578	49%	0.491	S	S	*	.	H	α-helix	trans	-74.1	-38.4	-164.2	-158.7	44.7	0	0	0	113.3	D34 L40 A41	D34-D37 PolarHBondContact O-N 3.21Å; D37-L40 PolarHBondContact O-N 3.49Å; D37-A41 WeakPolarHBondContact O-CB 3.13Å; D37-A41 PolarHBondContact O-N 3.25Å
38	Y	47.9	Very low	46.4	Very low	45 Å²	45	91.8 Å²	91.8	18%	0.176	48%	0.48	C	S	.	.	H	α-helix	trans	-75.1	-25.4	171.6	67	-99.3	0	0	0	113.1	D35 L42 L55 K142	D35-Y38 HydrophobicContact CB-CE1 4.38Å; D35-Y38 WeakPolarHBondContact OD1-CE1 3.44Å; D35-Y38 PolarHBondContact OD1-OH 2.92Å; Y38-L42 VanDerWaalsContact O-CG 3.31Å; Y38-L42 WeakPolarHBondContact O-CG 3Å; Y38-L42 PolarHBondContact O-N 3.46Å; Y38-L55 HydrophobicContact CD2-CD2 4.26Å; Y38-L55 HydrophobicContact CE2-CD2 3.82Å; Y38-K142 PolarHBondContact OH-NZ 3.45Å; Y38-K142 VanDerWaalsContact OH-NZ 3.08Å
39	K	55.7	Low	47.2	Very low	73 Å²	73	91.6 Å²	91.6	32%	0.317	48%	0.48	S	S	.	.	H	α-helix	trans	-67.8	-50.9	170.5	170.6	-175.3	163.3	-157.8	0	109	N36 A41 L42 E43 L55	N36-K39 CarbonylContact O-C 3.24Å; N36-K39 WeakPolarHBondContact O-CB 3.43Å; N36-K39 PolarHBondContact O-N 3.42Å; K39-A41 PolarHBondContact O-N 2.93Å; K39-L42 CarbonylContact O-C 3.55Å; K39-L42 PolarHBondContact O-N 2.79Å; K39-E43 VanDerWaalsContact CE-OE1 3.25Å; K39-E43 WeakPolarHBondContact CE-OE1 3.33Å; K39-E43 HydrophobicContact CG-CG 4.28Å; K39-E43 WeakPolarHBondContact O-CB 3.2Å; K39-E43 VanDerWaalsContact O-CG 3.3Å; K39-E43 WeakPolarHBondContact O-CG 3.42Å; K39-E43 PolarHBondContact O-N 2.96Å; K39-L55 HydrophobicContact CB-CD1 4.14Å; K39-L55 HydrophobicContact CG-CD1 4.11Å
40	L	59	Low	48.2	Very low	72 Å²	72	86 Å²	86	38%	0.377	45%	0.45	S	S	.	.	H	α-helix	trans	-55.2	-38.4	172.7	-173.7	70.4	0	0	0	111.6	N36 D37 K44	N36-L40 VanDerWaalsContact O-CB 3.25Å; N36-L40 WeakPolarHBondContact O-CB 3.36Å; N36-L40 PolarHBondContact O-N 2.69Å; D37-L40 PolarHBondContact O-N 3.49Å; L40-K44 HydrophobicContact CG-CD 4.16Å; L40-K44 VanDerWaalsContact O-CB 3.31Å; L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 WeakPolarHBondContact O-CD 3.49Å; L40-K44 WeakPolarHBondContact O-CG 3.33Å; L40-K44 PolarHBondContact O-N 3.02Å
41	A	50.4	Low	49.3	Very low	42 Å²	42	78.4 Å²	78.4	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-53.7	170.7	0	0	0	0	0	111.5	D37 K39 E43 K44 L45	D37-A41 WeakPolarHBondContact O-CB 3.13Å; D37-A41 PolarHBondContact O-N 3.25Å; K39-A41 PolarHBondContact O-N 2.93Å; A41-E43 VanDerWaalsContact C-N 3.3Å; A41-E43 PolarHBondContact O-N 3.24Å; A41-K44 PolarHBondContact O-N 3.05Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 WeakPolarHBondContact O-CD1 3.43Å; A41-L45 WeakPolarHBondContact O-CG 3.37Å; A41-L45 PolarHBondContact O-N 3.13Å
42	L	50.7	Low	50.4	Low	13 Å²	13	76.6 Å²	76.6	7%	0.068	40%	0.395	C	S	.	.	H	α-helix	trans	-60.8	-37	177.6	-69.1	166.8	0	0	0	112.8	Y38 K39 L45 W46 A51 L55	Y38-L42 VanDerWaalsContact O-CG 3.31Å; Y38-L42 WeakPolarHBondContact O-CG 3Å; Y38-L42 PolarHBondContact O-N 3.46Å; K39-L42 CarbonylContact O-C 3.55Å; K39-L42 PolarHBondContact O-N 2.79Å; L42-L45 PolarHBondContact O-N 2.81Å; L42-W46 HydrophobicContact CD2-CE3 3.71Å; L42-W46 HydrophobicContact CD2-CH2 4.03Å; L42-W46 HydrophobicContact CD2-CZ3 3.31Å; L42-W46 PolarHBondContact O-N 2.84Å; L42-A51 HydrophobicContact CB-CB 3.68Å; L42-L55 HydrophobicContact CD1-CD1 4.17Å; L42-L55 HydrophobicContact CD1-CD2 3.81Å; L42-L55 HydrophobicContact CD1-CG 3.93Å
43	E	61.3	Low	50.9	Low	46 Å²	46	74.9 Å²	74.9	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-39.4	175.9	-67.3	-168.4	176.8	0	0	111.4	K39 A41 G47 K48 A51	K39-E43 VanDerWaalsContact CE-OE1 3.25Å; K39-E43 WeakPolarHBondContact CE-OE1 3.33Å; K39-E43 HydrophobicContact CG-CG 4.28Å; K39-E43 WeakPolarHBondContact O-CB 3.2Å; K39-E43 VanDerWaalsContact O-CG 3.3Å; K39-E43 WeakPolarHBondContact O-CG 3.42Å; K39-E43 PolarHBondContact O-N 2.96Å; A41-E43 VanDerWaalsContact C-N 3.3Å; A41-E43 PolarHBondContact O-N 3.24Å; E43-G47 WeakPolarHBondContact O-CA 3.34Å; E43-G47 PolarHBondContact O-N 3.09Å; E43-K48 HydrophobicContact CG-CB 4.48Å; E43-K48 HydrophobicContact CG-CG 4.48Å; E43-A51 HydrophobicContact CB-CB 4.31Å; E43-A51 HydrophobicContact CG-CB 3.57Å
44	K	54.8	Low	51.2	Low	132 Å²	132	72 Å²	72	57%	0.574	36%	0.36	S	S	*	.	H	α-helix	trans	-70.1	-38.2	172.4	-74.7	167.4	178.2	169.1	0	112.9	L40 A41 N89	L40-K44 HydrophobicContact CG-CD 4.16Å; L40-K44 VanDerWaalsContact O-CB 3.31Å; L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 WeakPolarHBondContact O-CD 3.49Å; L40-K44 WeakPolarHBondContact O-CG 3.33Å; L40-K44 PolarHBondContact O-N 3.02Å; A41-K44 PolarHBondContact O-N 3.05Å; K44-N89 PolarHBondContact O-ND2 3.16Å
45	L	46	Very low	51.4	Low	44 Å²	44	66.3 Å²	66.3	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-51.5	-177.8	-68.7	166.1	0	0	0	111.3	A41 L42 L92	A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 WeakPolarHBondContact O-CD1 3.43Å; A41-L45 WeakPolarHBondContact O-CG 3.37Å; A41-L45 PolarHBondContact O-N 3.13Å; L42-L45 PolarHBondContact O-N 2.81Å; L45-L92 HydrophobicContact CB-CD2 3.83Å; L45-L92 HydrophobicContact CD2-CD2 3.21Å; L45-L92 HydrophobicContact CG-CD2 4.07Å; L45-L92 WeakPolarHBondContact O-CD1 3.33Å; L45-L92 WeakPolarHBondContact O-CG 3.25Å
46	W	50.4	Low	51.5	Low	5 Å²	5	66.4 Å²	66.4	2%	0.019	33%	0.33	C	S	.	.	H	α-helix	trans	-127.9	4.9	-168.5	-54.3	-40.4	0	0	0	114.4	L42 I50 F54 I118 L135	L42-W46 HydrophobicContact CD2-CE3 3.71Å; L42-W46 HydrophobicContact CD2-CH2 4.03Å; L42-W46 HydrophobicContact CD2-CZ3 3.31Å; L42-W46 PolarHBondContact O-N 2.84Å; W46-I50 HydrophobicContact CB-CB 3.94Å; W46-I50 HydrophobicContact CB-CG2 3.57Å; W46-I50 HydrophobicContact CE3-CG2 4.39Å; W46-I50 HydrophobicContact CG-CG2 4.29Å; W46-I50 WeakPolarHBondContact O-CB 3.3Å; W46-I50 WeakPolarHBondContact O-CD1 3.47Å; W46-F54 AromaticContact CE3-CD2 3.73Å; W46-F54 HydrophobicContact CE3-CD2 3.73Å; W46-F54 AromaticContact CE3-CE2 3.76Å; W46-F54 HydrophobicContact CE3-CE2 3.76Å; W46-F54 AromaticContact CZ3-CD2 3.87Å; W46-F54 HydrophobicContact CZ3-CD2 3.87Å; W46-F54 AromaticContact CZ3-CE2 3.9Å; W46-F54 HydrophobicContact CZ3-CE2 3.9Å; W46-F54 HydrophobicContact CZ3-CG 4.49Å; W46-I118 HydrophobicContact CH2-CD1 3.76Å; W46-I118 HydrophobicContact CZ2-CD1 3.28Å; W46-I118 HydrophobicContact CZ2-CG1 4.41Å; W46-L135 HydrophobicContact CH2-CD1 4.42Å; W46-L135 HydrophobicContact CH2-CD2 4.31Å; W46-L135 HydrophobicContact CZ2-CD2 4.36Å
47	G	50.8	Low	50.8	Low	31 Å²	31	65.7 Å²	65.7	32%	0.32	33%	0.33	S	S	.	.			trans	82.8	157.2	-178	0	0	0	0	0	113.5	E43 E49 I50 A51	E43-G47 WeakPolarHBondContact O-CA 3.34Å; E43-G47 PolarHBondContact O-N 3.09Å; G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.04Å; G47-I50 PolarHBondContact O-N 2.86Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.19Å
48	K	57.3	Low	50	Low	137 Å²	137	66.5 Å²	66.5	60%	0.596	33%	0.334	S	S	*	.	H	α-helix	trans	-59.2	-35.5	-170.2	-170.9	165.9	-173.5	171.7	0	114.7	E43 N52	E43-K48 HydrophobicContact CG-CB 4.48Å; E43-K48 HydrophobicContact CG-CG 4.48Å; K48-N52 WeakPolarHBondContact O-CB 3.36Å; K48-N52 PolarHBondContact O-N 3.12Å; K48-N52 VanDerWaalsContact O-N 3.08Å; K48-N52 PolarHBondContact O-ND2 3.13Å
49	E	46.9	Very low	49.4	Very low	168 Å²	168	68.2 Å²	68.2	79%	0.785	35%	0.345	S	S	*	.	H	α-helix	trans	-69.9	-42.4	179.4	-60.1	-172.5	161.7	0	0	112	G47 N52 Y53	G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.04Å; E49-N52 PolarHBondContact O-N 3.13Å; E49-Y53 WeakPolarHBondContact O-CB 3.4Å; E49-Y53 PolarHBondContact O-N 3.44Å
50	I	47.4	Very low	48.4	Very low	31 Å²	31	71 Å²	71	16%	0.159	36%	0.36	C	S	.	.	H	α-helix	trans	-78.4	-34.6	-177.2	-66.2	149.7	0	0	0	110.8	W46 G47 Y53 F54 I86 P87	W46-I50 HydrophobicContact CB-CB 3.94Å; W46-I50 HydrophobicContact CB-CG2 3.57Å; W46-I50 HydrophobicContact CE3-CG2 4.39Å; W46-I50 HydrophobicContact CG-CG2 4.29Å; W46-I50 WeakPolarHBondContact O-CB 3.3Å; W46-I50 WeakPolarHBondContact O-CD1 3.47Å; G47-I50 PolarHBondContact O-N 2.86Å; I50-Y53 PolarHBondContact O-N 2.9Å; I50-F54 HydrophobicContact CG2-CD2 3.68Å; I50-F54 HydrophobicContact CG2-CE2 3.63Å; I50-F54 WeakPolarHBondContact O-CD2 3.44Å; I50-F54 PolarHBondContact O-N 3.19Å; I50-I86 HydrophobicContact CD1-CG2 3.77Å; I50-P87 HydrophobicContact CD1-CG 3.96Å
51	A	52.2	Low	47	Very low	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-56.5	-50.9	166.8	0	0	0	0	0	111.2	L42 E43 G47 Y53 F54 L55	L42-A51 HydrophobicContact CB-CB 3.68Å; E43-A51 HydrophobicContact CB-CB 4.31Å; E43-A51 HydrophobicContact CG-CB 3.57Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.19Å; A51-Y53 VanDerWaalsContact C-N 3.31Å; A51-Y53 PolarHBondContact O-N 2.99Å; A51-F54 PolarHBondContact O-N 2.94Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 VanDerWaalsContact O-CG 3.24Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.07Å
52	N	52.8	Low	46.1	Very low	64 Å²	64	73.1 Å²	73.1	34%	0.342	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-35.9	175.1	-81.1	-50.2	0	0	0	112.8	K48 E49 N56	K48-N52 WeakPolarHBondContact O-CB 3.36Å; K48-N52 PolarHBondContact O-N 3.12Å; K48-N52 VanDerWaalsContact O-N 3.08Å; K48-N52 PolarHBondContact O-ND2 3.13Å; E49-N52 PolarHBondContact O-N 3.13Å; N52-N56 WeakPolarHBondContact O-CA 3.39Å; N52-N56 VanDerWaalsContact O-CB 3.3Å; N52-N56 WeakPolarHBondContact O-CB 3.36Å; N52-N56 PolarHBondContact O-N 3.48Å
53	Y	47.1	Very low	45.1	Very low	106 Å²	106	79.3 Å²	79.3	42%	0.416	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-43.9	176.7	-179.9	-93.4	0	0	0	113	E49 I50 A51 N56 P57	E49-Y53 WeakPolarHBondContact O-CB 3.4Å; E49-Y53 PolarHBondContact O-N 3.44Å; I50-Y53 PolarHBondContact O-N 2.9Å; A51-Y53 VanDerWaalsContact C-N 3.31Å; A51-Y53 PolarHBondContact O-N 2.99Å; Y53-N56 CarbonylContact O-C 3.55Å; Y53-P57 WeakPolarHBondContact O-CA 3.31Å
54	F	47	Very low	43.6	Very low	64 Å²	64	86.5 Å²	86.5	28%	0.281	43%	0.427	S	S	.	.	H	α-helix	trans	-71.3	-36.2	177.4	-84.2	-68.8	0	0	0	112.9	W46 I50 A51 Q146	W46-F54 AromaticContact CE3-CD2 3.73Å; W46-F54 HydrophobicContact CE3-CD2 3.73Å; W46-F54 AromaticContact CE3-CE2 3.76Å; W46-F54 HydrophobicContact CE3-CE2 3.76Å; W46-F54 AromaticContact CZ3-CD2 3.87Å; W46-F54 HydrophobicContact CZ3-CD2 3.87Å; W46-F54 AromaticContact CZ3-CE2 3.9Å; W46-F54 HydrophobicContact CZ3-CE2 3.9Å; W46-F54 HydrophobicContact CZ3-CG 4.49Å; I50-F54 HydrophobicContact CG2-CD2 3.68Å; I50-F54 HydrophobicContact CG2-CE2 3.63Å; I50-F54 WeakPolarHBondContact O-CD2 3.44Å; I50-F54 PolarHBondContact O-N 3.19Å; A51-F54 PolarHBondContact O-N 2.94Å; F54-Q146 PolarHBondContact O-NE2 3.21Å; F54-Q146 VanDerWaalsContact O-NE2 3.08Å
55	L	47.9	Very low	42.3	Very low	32 Å²	32	89 Å²	89	17%	0.168	44%	0.441	C	S	.	.	H	α-helix	trans	-74.7	-40.9	177.4	-66.8	171.6	0	0	0	111.8	Y38 K39 L42 A51 P57 K142 Q146	Y38-L55 HydrophobicContact CD2-CD2 4.26Å; Y38-L55 HydrophobicContact CE2-CD2 3.82Å; K39-L55 HydrophobicContact CB-CD1 4.14Å; K39-L55 HydrophobicContact CG-CD1 4.11Å; L42-L55 HydrophobicContact CD1-CD1 4.17Å; L42-L55 HydrophobicContact CD1-CD2 3.81Å; L42-L55 HydrophobicContact CD1-CG 3.93Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 VanDerWaalsContact O-CG 3.24Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.07Å; L55-P57 WeakPolarHBondContact O-CD 3.46Å; L55-K142 HydrophobicContact CD2-CD 4.45Å; L55-Q146 PolarHBondContact O-NE2 3.49Å
56	N	47.2	Very low	41.5	Very low	112 Å²	112	94.2 Å²	94.2	60%	0.599	47%	0.468	S	S	*	.	S	Bend	trans	-127.4	64.9	-172.8	-53.7	-69	0	0	0	112.4	N52 Y53 N58	N52-N56 WeakPolarHBondContact O-CA 3.39Å; N52-N56 VanDerWaalsContact O-CB 3.3Å; N52-N56 WeakPolarHBondContact O-CB 3.36Å; N52-N56 PolarHBondContact O-N 3.48Å; Y53-N56 CarbonylContact O-C 3.55Å; N56-N58 PolarHBondContact O-N 2.64Å
57	P	40.6	Very low	40.4	Very low	55 Å²	55	102.1 Å²	102.1	36%	0.357	51%	0.511	S	S	.	.			trans	-63.8	125.6	-179	25.5	-34.3	0	0	0	111.9	Y53 L55	Y53-P57 WeakPolarHBondContact O-CA 3.31Å; L55-P57 WeakPolarHBondContact O-CD 3.46Å
58	N	37.2	Very low	39.3	Very low	124 Å²	124	105.4 Å²	105.4	66%	0.663	52%	0.521	S	S	*	.			trans	-86.6	113.6	-173.5	-166.3	-16.3	0	0	0	111.8	N56	N56-N58 PolarHBondContact O-N 2.64Å
59	I	34.9	Very low	37.8	Very low	82 Å²	82	106 Å²	106	42%	0.421	52%	0.524	S	S	.	.			trans	-110.4	84.9	-171.4	-47.2	172.8	0	0	0	111.1	Y150 K199	I59-Y150 HydrophobicContact CD1-CD2 4.47Å; I59-Y150 HydrophobicContact CD1-CE2 4.38Å; I59-K199 HydrophobicContact CG2-CD 4.2Å
60	Q	34.5	Very low	36.9	Very low	132 Å²	132	104.2 Å²	104.2	62%	0.617	51%	0.511	S	S	*	.			trans	-86.6	161.6	-179.1	-63	-173	-10.1	0	0	113.4	K196	Q60-K196 WeakPolarHBondContact O-CE 3.45Å; Q60-K196 WeakPolarHBondContact O-CG 3.13Å
61	K	29.8	Very low	36	Very low	101 Å²	101	103 Å²	103	44%	0.439	50%	0.504	S	S	.	.			trans	-86.1	143	168.9	-58.8	-156.3	-174.2	-158.2	0	111.5	K196 Q197 K199 S200	K61-K196 HydrophobicContact CB-CD 4.48Å; K61-K196 HydrophobicContact CB-CG 4.42Å; K61-K196 HydrophobicContact CD-CB 4.4Å; K61-K196 WeakPolarHBondContact CE-O 3.39Å; K61-K196 HydrophobicContact CG-CB 4.07Å; K61-K196 HydrophobicContact CG-CG 4.19Å; K61-K196 PolarHBondContact NZ-O 2.91Å; K61-Q197 PolarHBondContact NZ-O 3.48Å; K61-K199 WeakPolarHBondContact CE-O 3.37Å; K61-S200 VanDerWaalsContact NZ-CA 3.29Å; K61-S200 VanDerWaalsContact NZ-N 3.14Å
62	S	32	Very low	34.9	Very low	56 Å²	56	106.5 Å²	106.5	39%	0.392	52%	0.522	S	S	.	.			trans	-127	139.8	166.6	60	0	0	0	0	109.5	H193 K196	S62-H193 PolarHBondContact O-ND1 2.63Å; S62-K196 PolarHBondContact OG-NZ 3.02Å
63	I	29.5	Very low	33.7	Very low	144 Å²	144	107.6 Å²	107.6	74%	0.738	53%	0.527	S	S	*	.			trans	-128.1	123.4	175.2	-57.6	173.3	0	0	0	106.5
64	K	29.1	Very low	32.7	Very low	197 Å²	197	104.5 Å²	104.5	86%	0.857	53%	0.528	S	S	*	.			trans	-136.5	156.5	161.5	-82.5	-164.1	172.3	-175.4	0	108.6
65	Q	27.4	Very low	31.7	Very low	183 Å²	183	103.7 Å²	103.7	86%	0.855	54%	0.537	S	S	*	.			trans	-73.4	132.6	-166.6	-59.8	134	-50.2	0	0	111.8
66	L	28.9	Very low	30.6	Very low	155 Å²	155	107.4 Å²	107.4	81%	0.812	55%	0.549	S	S	*	.			trans	161.5	101.1	141.3	-90.3	158.2	0	0	0	109.7	D68	L66-D68 VanDerWaalsContact C-N 3.25Å; L66-D68 PolarHBondContact O-N 3.39Å
67	N	28.9	Very low	29.7	Very low	171 Å²	171	108 Å²	108	91%	0.914	56%	0.56	S	S	*	*	S	Bend	trans	18.5	-23.5	166.6	-64.8	2.8	0	0	0	124.6
68	D	27.2	Very low	28.9	Very low	99 Å²	99	111.3 Å²	111.3	53%	0.529	57%	0.574	S	S	.	*	S	Bend	trans	-94.8	136	175.7	-72.8	-28.2	0	0	0	110.9	L66 Y70	L66-D68 VanDerWaalsContact C-N 3.25Å; L66-D68 PolarHBondContact O-N 3.39Å; D68-Y70 HydrophobicContact CB-CD2 3.5Å; D68-Y70 VanDerWaalsContact CB-CD2 3.5Å; D68-Y70 HydrophobicContact CB-CE1 4.34Å; D68-Y70 HydrophobicContact CB-CE2 3.18Å; D68-Y70 HydrophobicContact CB-CG 4.18Å; D68-Y70 PolarHBondContact O-N 3.4Å; D68-Y70 WeakPolarHBondContact OD2-CE2 3.47Å; D68-Y70 PolarHBondContact OD2-OH 2.9Å
69	K	25.8	Very low	28.4	Very low	150 Å²	150	107.2 Å²	107.2	65%	0.652	56%	0.562	S	S	*	*			trans	-76.7	55	176.2	-71.7	-170.6	172.6	-160.1	0	111.9	Y71 Q197	K69-Y71 WeakPolarHBondContact O-CD2 3.24Å; K69-Q197 VanDerWaalsContact CE-OE1 3.24Å
70	Y	27.2	Very low	27.9	Very low	131 Å²	131	108.1 Å²	108.1	51%	0.514	57%	0.565	S	S	.	*			trans	-77.6	137.7	175.7	-65.4	-52.4	0	0	0	112.7	D68 S190 H193	D68-Y70 HydrophobicContact CB-CD2 3.5Å; D68-Y70 VanDerWaalsContact CB-CD2 3.5Å; D68-Y70 HydrophobicContact CB-CE1 4.34Å; D68-Y70 HydrophobicContact CB-CE2 3.18Å; D68-Y70 HydrophobicContact CB-CG 4.18Å; D68-Y70 PolarHBondContact O-N 3.4Å; D68-Y70 WeakPolarHBondContact OD2-CE2 3.47Å; D68-Y70 PolarHBondContact OD2-OH 2.9Å; Y70-S190 VanDerWaalsContact CD1-OG 3.32Å; Y70-S190 WeakPolarHBondContact CD1-OG 3.34Å; Y70-H193 WeakPolarHBondContact O-CB 3.44Å; Y70-H193 PolarHBondContact O-CD2 2.81Å
71	Y	29.2	Very low	27.6	Very low	6 Å²	6	107.1 Å²	107.1	2%	0.024	56%	0.563	C	S	.	*			trans	-98.6	94.4	-172.9	-91.7	-97.8	0	0	0	117.8	K69 N189 S190 L191 I192 H193 I194 M195 Q197 L198	K69-Y71 WeakPolarHBondContact O-CD2 3.24Å; Y71-N189 CarbonylContact C-O 3.52Å; Y71-N189 PolarHBondContact N-O 3.35Å; Y71-N189 CarbonylContact O-C 3.58Å; Y71-N189 VanDerWaalsContact O-O 3.07Å; Y71-S190 WeakPolarHBondContact CB-O 3.47Å; Y71-S190 VanDerWaalsContact N-CA 3.29Å; Y71-S190 CarbonylContact O-C 3.4Å; Y71-S190 VanDerWaalsContact O-C 3.31Å; Y71-S190 WeakPolarHBondContact O-CA 3.48Å; Y71-S190 PolarHBondContact O-N 3.01Å; Y71-L191 VanDerWaalsContact CB-CA 3.43Å; Y71-L191 WeakPolarHBondContact CD1-O 3.22Å; Y71-L191 CarbonylContact O-C 2.94Å; Y71-L191 WeakPolarHBondContact O-CA 3.18Å; Y71-L191 PolarHBondContact O-N 3.48Å; Y71-I192 VanDerWaalsContact CB-N 3.3Å; Y71-I192 WeakPolarHBondContact CD1-O 3.11Å; Y71-I192 PolarHBondContact O-N 2.88Å; Y71-H193 HydrophobicContact CD1-CB 4.41Å; Y71-H193 VanDerWaalsContact CD2-C 3.48Å; Y71-H193 WeakPolarHBondContact CE1-O 3.1Å; Y71-H193 HydrophobicContact CG-CB 4.35Å; Y71-I194 HydrophobicContact CD1-CB 3.9Å; Y71-I194 HydrophobicContact CD2-CB 2.91Å; Y71-I194 HydrophobicContact CD2-CD1 4.39Å; Y71-I194 HydrophobicContact CD2-CG1 2.87Å; Y71-I194 HydrophobicContact CD2-CG2 3.9Å; Y71-I194 HydrophobicContact CE1-CB 3.73Å; Y71-I194 HydrophobicContact CE1-CG2 4.23Å; Y71-I194 WeakPolarHBondContact CE1-O 3.36Å; Y71-I194 HydrophobicContact CE2-CB 2.65Å; Y71-I194 HydrophobicContact CE2-CG1 3.16Å; Y71-I194 HydrophobicContact CE2-CG2 2.93Å; Y71-I194 HydrophobicContact CG-CB 3.56Å; Y71-I194 HydrophobicContact CG-CG1 3.81Å; Y71-I194 VanDerWaalsContact CZ-O 3.29Å; Y71-I194 WeakPolarHBondContact OH-CA 3.25Å; Y71-I194 VanDerWaalsContact OH-CG2 3.25Å; Y71-I194 WeakPolarHBondContact OH-CG2 3.39Å; Y71-I194 PolarHBondContact OH-N 3.07Å; Y71-M195 HydrophobicContact CD1-CB 4.36Å; Y71-M195 VanDerWaalsContact CE1-CA 3.49Å; Y71-Q197 HydrophobicContact CE1-CB 3.78Å; Y71-Q197 VanDerWaalsContact CZ-CB 3.45Å; Y71-Q197 WeakPolarHBondContact OH-CB 3.35Å; Y71-L198 HydrophobicContact CE1-CG 4.29Å; Y71-L198 WeakPolarHBondContact OH-CG 3.47Å
72	L	28.5	Very low	27.4	Very low	72 Å²	72	111 Å²	111	38%	0.377	58%	0.583	S	S	.	*			trans	-77	133.1	174.8	-66.7	86.5	0	0	0	115.6	G74 N189 I192 H193 K196	L72-G74 PolarHBondContact O-N 3.44Å; L72-N189 HydrophobicContact CD2-CB 4.38Å; L72-N189 HydrophobicContact CG-CB 3.83Å; L72-N189 WeakPolarHBondContact CG-OD1 3Å; L72-N189 PolarHBondContact N-O 3.08Å; L72-I192 CarbonylContact O-C 2.89Å; L72-I192 WeakPolarHBondContact O-CA 3.33Å; L72-I192 WeakPolarHBondContact O-CB 3.49Å; L72-I192 VanDerWaalsContact O-CG2 3.25Å; L72-I192 WeakPolarHBondContact O-CG2 3.41Å; L72-H193 PolarHBondContact O-N 3.25Å; L72-K196 PolarHBondContact O-NZ 3.25Å
73	I	28.2	Very low	27.1	Very low	88 Å²	88	112 Å²	112	45%	0.451	60%	0.602	S	S	.	*			trans	-65.2	113.5	151.5	-74.3	179.9	0	0	0	107.1	I192	I73-I192 HydrophobicContact CB-CB 4.26Å; I73-I192 HydrophobicContact CD1-CD1 4.01Å; I73-I192 HydrophobicContact CD1-CG1 4.41Å; I73-I192 HydrophobicContact CG1-CB 3.58Å; I73-I192 HydrophobicContact CG1-CD1 3.59Å; I73-I192 HydrophobicContact CG1-CG1 3.59Å; I73-I192 HydrophobicContact CG1-CG2 4.25Å
74	G	25.9	Very low	26.9	Very low	41 Å²	41	107.5 Å²	107.5	42%	0.423	58%	0.584	S	S	.	*			trans	-78.8	114.8	157.2	0	0	0	0	0	106.7	L72	L72-G74 PolarHBondContact O-N 3.44Å
75	G	25.4	Very low	26.7	Very low	46 Å²	46	109.5 Å²	109.5	47%	0.474	59%	0.586	S	S	.	*			cis	71.8	102.8	11.8	0	0	0	0	0	109.2
76	Y	26.2	Very low	26.7	Very low	110 Å²	110	104.1 Å²	104.1	43%	0.431	56%	0.562	S	S	.	*			trans	-52.6	143.2	-175.6	-82.6	-96	0	0	0	111.6	N78 G79 M80 L81	Y76-N78 PolarHBondContact O-N 3.37Å; Y76-G79 PolarHBondContact O-N 2.7Å; Y76-M80 HydrophobicContact CD1-CB 4.28Å; Y76-M80 HydrophobicContact CD2-CB 3.98Å; Y76-M80 WeakPolarHBondContact CD2-O 3.49Å; Y76-M80 HydrophobicContact CE2-CB 4.43Å; Y76-M80 WeakPolarHBondContact CE2-O 3.48Å; Y76-M80 HydrophobicContact CG-CB 3.9Å; Y76-L81 HydrophobicContact CD2-CG 4.19Å; Y76-L81 HydrophobicContact CE2-CG 4.25Å
77	P	27.2	Very low	26.5	Very low	125 Å²	125	101.4 Å²	101.4	81%	0.812	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-18.5	167.4	-23.9	34.2	0	0	0	113.6
78	N	24.8	Very low	26.5	Very low	124 Å²	124	96.8 Å²	96.8	66%	0.663	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	5.3	-175.5	-51.6	8.9	0	0	0	113.2	Y76 M80	Y76-N78 PolarHBondContact O-N 3.37Å; N78-M80 HydrophobicContact CB-CG 4.04Å; N78-M80 HydrophobicContact CB-SD 4.18Å; N78-M80 PolarHBondContact O-N 3.04Å
79	G	25.3	Very low	26.7	Very low	39 Å²	39	94.2 Å²	94.2	40%	0.402	51%	0.512	S	S	.	.			trans	70.8	5.9	-178.3	0	0	0	0	0	116.2	Y76 L81 H82	Y76-G79 PolarHBondContact O-N 2.7Å; G79-L81 PolarHBondContact O-N 3.35Å; G79-H82 PolarHBondContact O-N 3.44Å
80	M	24.7	Very low	26.9	Very low	100 Å²	100	96.3 Å²	96.3	49%	0.493	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	43.2	-176.5	-65.8	177.3	64.9	0	0	115.7	Y76 N78 S84	Y76-M80 HydrophobicContact CD1-CB 4.28Å; Y76-M80 HydrophobicContact CD2-CB 3.98Å; Y76-M80 WeakPolarHBondContact CD2-O 3.49Å; Y76-M80 HydrophobicContact CE2-CB 4.43Å; Y76-M80 WeakPolarHBondContact CE2-O 3.48Å; Y76-M80 HydrophobicContact CG-CB 3.9Å; N78-M80 HydrophobicContact CB-CG 4.04Å; N78-M80 HydrophobicContact CB-SD 4.18Å; N78-M80 PolarHBondContact O-N 3.04Å; M80-S84 WeakPolarHBondContact CA-OG 3.35Å; M80-S84 PolarHBondContact O-OG 2.76Å; M80-S84 VanDerWaalsContact O-OG 3.05Å
81	L	28.5	Very low	27.4	Very low	111 Å²	111	96.6 Å²	96.6	58%	0.581	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	3.1	152.1	-83.1	177	0	0	0	112.8	Y76 G79 G83 S84	Y76-L81 HydrophobicContact CD2-CG 4.19Å; Y76-L81 HydrophobicContact CE2-CG 4.25Å; G79-L81 PolarHBondContact O-N 3.35Å; L81-G83 PolarHBondContact O-N 2.89Å; L81-S84 PolarHBondContact N-OG 2.81Å
82	H	26.2	Very low	27.5	Very low	182 Å²	182	96.7 Å²	96.7	84%	0.843	52%	0.524	S	S	*	.	S	Bend	trans	-77.4	105	159.3	-77.5	-73	0	0	0	109.4	G79 S84	G79-H82 PolarHBondContact O-N 3.44Å; H82-S84 VanDerWaalsContact C-N 3.26Å; H82-S84 PolarHBondContact O-N 3.45Å
83	G	25.8	Very low	28	Very low	77 Å²	77	99 Å²	99	79%	0.794	53%	0.531	S	S	*	.	S	Bend	trans	70.6	12.1	172.2	0	0	0	0	0	116	L81 R85	L81-G83 PolarHBondContact O-N 2.89Å; G83-R85 PolarHBondContact O-N 3.36Å; G83-R85 VanDerWaalsContact O-N 3.13Å
84	S	24.8	Very low	28.5	Very low	51 Å²	51	98.9 Å²	98.9	36%	0.357	54%	0.536	S	S	.	.			trans	-69.4	109.7	-174.6	-56.7	0	0	0	0	111.9	M80 L81 H82 I86	M80-S84 WeakPolarHBondContact CA-OG 3.35Å; M80-S84 PolarHBondContact O-OG 2.76Å; M80-S84 VanDerWaalsContact O-OG 3.05Å; L81-S84 PolarHBondContact N-OG 2.81Å; H82-S84 VanDerWaalsContact C-N 3.26Å; H82-S84 PolarHBondContact O-N 3.45Å; S84-I86 PolarHBondContact O-N 3.32Å
85	R	25.5	Very low	29.4	Very low	238 Å²	238	99.3 Å²	99.3	90%	0.898	53%	0.525	S	S	*	.			trans	-61.9	114	175.8	-62.1	174.5	-179.2	173.2	-1.5	109.3	G83 P87	G83-R85 PolarHBondContact O-N 3.36Å; G83-R85 VanDerWaalsContact O-N 3.13Å; R85-P87 WeakPolarHBondContact O-CD 3.29Å
86	I	26.1	Very low	30	Very low	71 Å²	71	97.7 Å²	97.7	36%	0.364	51%	0.505	S	S	.	.			trans	-65	124.3	162.7	-59	178.4	0	0	0	106.6	I50 S84 F88	I50-I86 HydrophobicContact CD1-CG2 3.77Å; S84-I86 PolarHBondContact O-N 3.32Å; I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 HydrophobicContact CB-CD2 4.22Å; I86-F88 HydrophobicContact CB-CE2 4.39Å; I86-F88 HydrophobicContact CG2-CD2 4.06Å; I86-F88 HydrophobicContact CG2-CE2 4.32Å; I86-F88 PolarHBondContact O-N 2.99Å
87	P	25.7	Very low	30.6	Very low	97 Å²	97	97.3 Å²	97.3	63%	0.63	51%	0.51	S	S	*	.			trans	-65.7	93.2	167.9	27.5	-34	0	0	0	108.9	I50 R85	I50-P87 HydrophobicContact CD1-CG 3.96Å; R85-P87 WeakPolarHBondContact O-CD 3.29Å
88	F	28.6	Very low	31.2	Very low	74 Å²	74	96.7 Å²	96.7	33%	0.325	50%	0.5	S	S	.	.			trans	-63.8	132.6	169.8	-97.6	-131.7	0	0	0	108.9	I86 Y90 L92 I118	I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 HydrophobicContact CB-CD2 4.22Å; I86-F88 HydrophobicContact CB-CE2 4.39Å; I86-F88 HydrophobicContact CG2-CD2 4.06Å; I86-F88 HydrophobicContact CG2-CE2 4.32Å; I86-F88 PolarHBondContact O-N 2.99Å; F88-Y90 PolarHBondContact O-N 2.93Å; F88-L92 HydrophobicContact CB-CD1 4.14Å; F88-L92 HydrophobicContact CD1-CD1 3.19Å; F88-L92 HydrophobicContact CE1-CD1 3.59Å; F88-L92 HydrophobicContact CG-CD1 3.74Å; F88-L92 HydrophobicContact CZ-CD1 4.42Å; F88-I118 HydrophobicContact CZ-CD1 4.49Å
89	N	31.6	Very low	31.8	Very low	45 Å²	45	92.6 Å²	92.6	24%	0.241	48%	0.478	C	S	.	.			trans	-64	124.6	160.1	-175	2.3	0	0	0	107.6	K44 E91 L92	K44-N89 PolarHBondContact O-ND2 3.16Å; N89-E91 PolarHBondContact ND2-OE2 3.37Å; N89-E91 PolarHBondContact O-N 3.19Å; N89-E91 WeakPolarHBondContact OD1-CG 3.46Å; N89-E91 PolarHBondContact OD1-N 3.39Å; N89-E91 PolarHBondContact OD1-OE2 2.87Å; N89-L92 HydrophobicContact CB-CG 4.5Å; N89-L92 WeakPolarHBondContact O-CB 3.36Å; N89-L92 WeakPolarHBondContact O-CD1 3.29Å; N89-L92 WeakPolarHBondContact O-CG 3.16Å; N89-L92 PolarHBondContact O-N 3.18Å; N89-L92 VanDerWaalsContact O-N 3.12Å
90	Y	30.6	Very low	32.4	Very low	194 Å²	194	93.6 Å²	93.6	76%	0.761	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.8	-177.4	63	-87.7	0	0	0	112.4	F88 L92	F88-Y90 PolarHBondContact O-N 2.93Å; Y90-L92 PolarHBondContact O-N 2.85Å
91	E	35.9	Very low	33	Very low	138 Å²	138	96.1 Å²	96.1	65%	0.645	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-2.9	171	-55	173.1	144.7	0	0	112.9	N89 K93	N89-E91 PolarHBondContact ND2-OE2 3.37Å; N89-E91 PolarHBondContact O-N 3.19Å; N89-E91 WeakPolarHBondContact OD1-CG 3.46Å; N89-E91 PolarHBondContact OD1-N 3.39Å; N89-E91 PolarHBondContact OD1-OE2 2.87Å; E91-K93 PolarHBondContact O-N 3.42Å
92	L	31.8	Very low	33.3	Very low	8 Å²	8	94.8 Å²	94.8	4%	0.042	49%	0.487	C	S	.	.	S	Bend	trans	-58.8	118.9	176.3	-84.8	174.7	0	0	0	112	L45 F88 N89 Y90 L96	L45-L92 HydrophobicContact CB-CD2 3.83Å; L45-L92 HydrophobicContact CD2-CD2 3.21Å; L45-L92 HydrophobicContact CG-CD2 4.07Å; L45-L92 WeakPolarHBondContact O-CD1 3.33Å; L45-L92 WeakPolarHBondContact O-CG 3.25Å; F88-L92 HydrophobicContact CB-CD1 4.14Å; F88-L92 HydrophobicContact CD1-CD1 3.19Å; F88-L92 HydrophobicContact CE1-CD1 3.59Å; F88-L92 HydrophobicContact CG-CD1 3.74Å; F88-L92 HydrophobicContact CZ-CD1 4.42Å; N89-L92 HydrophobicContact CB-CG 4.5Å; N89-L92 WeakPolarHBondContact O-CB 3.36Å; N89-L92 WeakPolarHBondContact O-CD1 3.29Å; N89-L92 WeakPolarHBondContact O-CG 3.16Å; N89-L92 PolarHBondContact O-N 3.18Å; N89-L92 VanDerWaalsContact O-N 3.12Å; Y90-L92 PolarHBondContact O-N 2.85Å; L92-L96 HydrophobicContact CD2-CD1 4.18Å
93	K	40.2	Very low	33.6	Very low	119 Å²	119	91.2 Å²	91.2	52%	0.517	47%	0.474	S	S	.	.			trans	-32.7	129.4	-175.7	-68.9	-173.6	173.7	-175	0	113.3	E91 W95 L96	E91-K93 PolarHBondContact O-N 3.42Å; K93-W95 PolarHBondContact O-N 3.25Å; K93-L96 PolarHBondContact O-N 3.29Å
94	P	38.4	Very low	34.1	Very low	86 Å²	86	93.4 Å²	93.4	56%	0.558	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-49.7	-27.5	-172.6	-32.9	35.6	0	0	0	116.8	L96 L97 N98	P94-L96 PolarHBondContact O-N 3.47Å; P94-L96 VanDerWaalsContact O-N 3.16Å; P94-L97 PolarHBondContact O-N 3.27Å; P94-N98 VanDerWaalsContact O-CB 3.22Å; P94-N98 WeakPolarHBondContact O-CB 3.28Å; P94-N98 PolarHBondContact O-N 2.69Å; P94-N98 PolarHBondContact O-OD1 2.99Å
95	W	44.5	Very low	34.3	Very low	51 Å²	51	99 Å²	99	19%	0.193	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-60.9	-21.9	176.3	72	-98.1	0	0	0	114.6	K93 H125 S131 A132	K93-W95 PolarHBondContact O-N 3.25Å; W95-H125 PolarHBondContact O-CE1 3.47Å; W95-H125 PolarHBondContact O-NE2 3.05Å; W95-S131 VanDerWaalsContact CZ2-CB 3.43Å; W95-S131 PolarHBondContact NE1-OG 2.87Å; W95-A132 HydrophobicContact CZ3-CB 4.48Å
96	L	36.9	Very low	34.4	Very low	12 Å²	12	97 Å²	97	6%	0.063	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-79.6	-17.9	174.7	-100.2	157.9	0	0	0	113.4	L92 K93 P94	L92-L96 HydrophobicContact CD2-CD1 4.18Å; K93-L96 PolarHBondContact O-N 3.29Å; P94-L96 PolarHBondContact O-N 3.47Å; P94-L96 VanDerWaalsContact O-N 3.16Å
97	L	39.9	Very low	34.5	Very low	101 Å²	101	99.3 Å²	99.3	53%	0.529	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-32.1	-177.7	-60.5	174.5	0	0	0	111.6	P94 I99	P94-L97 PolarHBondContact O-N 3.27Å; L97-I99 PolarHBondContact O-N 2.76Å
98	N	40.5	Very low	34.6	Very low	113 Å²	113	98.1 Å²	98.1	60%	0.604	51%	0.512	S	S	*	.			trans	-76.1	59.8	177.3	-66.3	-4.9	0	0	0	111.4	P94 P100	P94-N98 VanDerWaalsContact O-CB 3.22Å; P94-N98 WeakPolarHBondContact O-CB 3.28Å; P94-N98 PolarHBondContact O-N 2.69Å; P94-N98 PolarHBondContact O-OD1 2.99Å; N98-P100 VanDerWaalsContact O-CD 3.31Å; N98-P100 WeakPolarHBondContact O-CD 3.36Å
99	I	36.9	Very low	34.6	Very low	38 Å²	38	99.2 Å²	99.2	20%	0.195	53%	0.529	C	S	.	.			trans	-71.5	122.1	163.9	-46.3	174.3	0	0	0	107.4	L97 H101 M104 L121 Y124	L97-I99 PolarHBondContact O-N 2.76Å; I99-H101 PolarHBondContact O-N 3.37Å; I99-M104 HydrophobicContact CG2-SD 4.43Å; I99-L121 HydrophobicContact CD1-CD2 3.7Å; I99-L121 HydrophobicContact CG1-CD2 3.98Å; I99-Y124 HydrophobicContact CG2-CE1 4.45Å
100	P	37.4	Very low	34.4	Very low	59 Å²	59	103.7 Å²	103.7	38%	0.383	56%	0.56	S	S	.	*			trans	-62.8	100.5	170	-21.2	33.5	0	0	0	110.7	N98 S102 N103 Y124	N98-P100 VanDerWaalsContact O-CD 3.31Å; N98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-S102 PolarHBondContact O-N 2.91Å; P100-N103 PolarHBondContact O-N 3.41Å; P100-Y124 WeakPolarHBondContact CD-OH 3.4Å; P100-Y124 HydrophobicContact CG-CE1 4.47Å
101	H	38.3	Very low	34.2	Very low	153 Å²	153	99 Å²	99	71%	0.708	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-56.3	-18.9	178.5	-77.1	-49.9	0	0	0	113.6	I99 N103 M104	I99-H101 PolarHBondContact O-N 3.37Å; H101-N103 PolarHBondContact O-N 3.38Å; H101-M104 PolarHBondContact O-N 2.89Å
102	S	33.6	Very low	33.8	Very low	84 Å²	84	98.2 Å²	98.2	59%	0.587	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-52.4	-35.7	170.6	53.7	0	0	0	0	113.3	P100	P100-S102 PolarHBondContact O-N 2.91Å
103	N	33.6	Very low	33.6	Very low	106 Å²	106	103.2 Å²	103.2	57%	0.567	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-98	4.7	-168.7	-63.2	17.3	0	0	0	113.5	P100 H101 Y124	P100-N103 PolarHBondContact O-N 3.41Å; H101-N103 PolarHBondContact O-N 3.38Å; N103-Y124 HydrophobicContact CB-CE2 4.14Å; N103-Y124 PolarHBondContact ND2-OH 3.27Å
104	M	34.7	Very low	33.3	Very low	123 Å²	123	106.5 Å²	106.5	61%	0.606	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-92.1	7.3	174.3	-65	-165.1	77.2	0	0	113.5	I99 H101	I99-M104 HydrophobicContact CG2-SD 4.43Å; H101-M104 PolarHBondContact O-N 2.89Å
105	K	29.1	Very low	32.9	Very low	170 Å²	170	108.1 Å²	108.1	74%	0.739	62%	0.615	S	S	*	*			trans	-91.3	148.9	172.4	-66.9	-176.9	178.5	179.7	0	110.4
106	Q	29.3	Very low	32.6	Very low	194 Å²	194	108 Å²	108	91%	0.907	62%	0.621	S	S	*	*			trans	77.8	73.8	174.3	-47.7	-176	24.8	0	0	117.9
107	S	28.2	Very low	33	Very low	121 Å²	121	111.6 Å²	111.6	85%	0.846	64%	0.64	S	S	*	*	S	Bend		-173.4	123.9	112.9	65.4	0	0	0	0	112.9
108	G	27.6	Very low	33.2	Very low	71 Å²	71	107.8 Å²	107.8	73%	0.732	62%	0.62	S	S	*	*	S	Bend	trans	70.4	102.7	152.7	0	0	0	0	0	119.6
109	S	28.7	Very low	33.5	Very low	98 Å²	98	106 Å²	106	69%	0.685	61%	0.609	S	S	*	*			trans	51.7	123.3	157.6	60	0	0	0	0	120	T111	S109-T111 PolarHBondContact O-N 2.9Å; S109-T111 VanDerWaalsContact O-N 3.15Å
110	P	26	Very low	34	Very low	138 Å²	138	107.5 Å²	107.5	90%	0.896	62%	0.618	S	S	*	*			trans	-82.6	90	176.4	34	-33.8	0	0	0	112.5
111	T	26.9	Very low	34.5	Very low	95 Å²	95	105.6 Å²	105.6	58%	0.583	61%	0.605	S	S	*	*			trans	-112.6	113.9	168.9	48.5	0	0	0	0	112	S109	S109-T111 PolarHBondContact O-N 2.9Å; S109-T111 VanDerWaalsContact O-N 3.15Å
112	T	27.3	Very low	35	Very low	122 Å²	122	98.5 Å²	98.5	75%	0.748	57%	0.572	S	S	*	*	S	Bend	trans	43.2	95.8	161.6	54.4	0	0	0	0	117.7	K114	T112-K114 PolarHBondContact O-N 3.42Å
113	S	27	Very low	35.8	Very low	114 Å²	114	97.9 Å²	97.9	80%	0.797	56%	0.558	S	S	*	*			trans	49.6	43.6	144.2	65.9	0	0	0	0	117.8	V115	S113-V115 PolarHBondContact O-N 3.41Å
114	K	34.5	Very low	36.5	Very low	188 Å²	188	97 Å²	97	82%	0.817	55%	0.548	S	S	*	.			trans	-70.5	76.7	164	-72.9	-178.2	-179.4	171.5	0	110.6	T112	T112-K114 PolarHBondContact O-N 3.42Å
115	V	29.8	Very low	37	Very low	120 Å²	120	92 Å²	92	73%	0.727	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-53.2	126	155.6	179.4	0	0	0	0	106.2	S113 N117	S113-V115 PolarHBondContact O-N 3.41Å; V115-N117 PolarHBondContact O-N 3.49Å; V115-N117 VanDerWaalsContact O-N 3.16Å
116	P	37.9	Very low	38	Very low	49 Å²	49	86.3 Å²	86.3	32%	0.318	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-60	124.6	-179.2	24.8	-33.4	0	0	0	108.6	D120 L121	P116-D120 HydrophobicContact CB-CB 4.41Å; P116-L121 HydrophobicContact CB-CG 4.32Å; P116-L121 HydrophobicContact CG-CD1 4.41Å; P116-L121 HydrophobicContact CG-CG 4.43Å
117	N	45.5	Very low	38.5	Very low	86 Å²	86	80.9 Å²	80.9	46%	0.46	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-61.4	153	174.6	-169.3	-42.2	0	0	0	107.8	V115 I119 D120 L121	V115-N117 PolarHBondContact O-N 3.49Å; V115-N117 VanDerWaalsContact O-N 3.16Å; N117-I119 HydrophobicContact CB-CB 4.43Å; N117-I119 PolarHBondContact O-N 3.06Å; N117-I119 VanDerWaalsContact O-N 3.1Å; N117-I119 PolarHBondContact OD1-N 3.44Å; N117-I119 VanDerWaalsContact OD1-N 3.13Å; N117-D120 WeakPolarHBondContact CB-OD2 3.49Å; N117-D120 PolarHBondContact N-OD2 2.79Å; N117-D120 VanDerWaalsContact N-OD2 3.14Å; N117-D120 WeakPolarHBondContact O-CA 3.34Å; N117-D120 WeakPolarHBondContact O-CB 3.45Å; N117-D120 PolarHBondContact O-N 2.87Å; N117-L121 PolarHBondContact O-N 2.8Å
118	I	45	Very low	39.5	Very low	22 Å²	22	80.3 Å²	80.3	11%	0.113	49%	0.492	C	S	.	.	H	α-helix	trans	-56.6	-29.3	173.6	-153.6	161.6	0	0	0	111.4	W46 F88 L122	W46-I118 HydrophobicContact CH2-CD1 3.76Å; W46-I118 HydrophobicContact CZ2-CD1 3.28Å; W46-I118 HydrophobicContact CZ2-CG1 4.41Å; F88-I118 HydrophobicContact CZ-CD1 4.49Å; I118-L122 WeakPolarHBondContact O-CB 3.36Å; I118-L122 WeakPolarHBondContact O-CD1 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.92Å
119	I	46.7	Very low	40.4	Very low	74 Å²	74	78.8 Å²	78.8	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-31.6	170.4	-75	170.6	0	0	0	113	N117 K123 W136	N117-I119 HydrophobicContact CB-CB 4.43Å; N117-I119 PolarHBondContact O-N 3.06Å; N117-I119 VanDerWaalsContact O-N 3.1Å; N117-I119 PolarHBondContact OD1-N 3.44Å; N117-I119 VanDerWaalsContact OD1-N 3.13Å; I119-K123 VanDerWaalsContact CG2-CE 3.45Å; I119-K123 WeakPolarHBondContact O-CE 3.44Å; I119-K123 VanDerWaalsContact O-CG 3.23Å; I119-K123 WeakPolarHBondContact O-CG 3.4Å; I119-K123 PolarHBondContact O-N 3.5Å; I119-W136 HydrophobicContact CG2-CZ3 4.3Å
120	D	47.5	Very low	41.2	Very low	70 Å²	70	77.9 Å²	77.9	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-82.9	-40.5	177.8	-58.7	-43.3	0	0	0	112	P116 N117 L122 K123 Y124	P116-D120 HydrophobicContact CB-CB 4.41Å; N117-D120 WeakPolarHBondContact CB-OD2 3.49Å; N117-D120 PolarHBondContact N-OD2 2.79Å; N117-D120 VanDerWaalsContact N-OD2 3.14Å; N117-D120 WeakPolarHBondContact O-CA 3.34Å; N117-D120 WeakPolarHBondContact O-CB 3.45Å; N117-D120 PolarHBondContact O-N 2.87Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 2.81Å; D120-K123 WeakPolarHBondContact O-CB 3.5Å; D120-K123 PolarHBondContact O-N 2.85Å; D120-K123 IonicContact OD1-NZ 2.59Å; D120-K123 PolarHBondContact OD1-NZ 2.97Å; D120-Y124 PolarHBondContact O-N 2.88Å
121	L	47.5	Very low	42.1	Very low	20 Å²	20	71.8 Å²	71.8	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-53.8	-48.5	167.4	-85.4	153.4	0	0	0	111.2	I99 P116 N117 Y124 H125	I99-L121 HydrophobicContact CD1-CD2 3.7Å; I99-L121 HydrophobicContact CG1-CD2 3.98Å; P116-L121 HydrophobicContact CB-CG 4.32Å; P116-L121 HydrophobicContact CG-CD1 4.41Å; P116-L121 HydrophobicContact CG-CG 4.43Å; N117-L121 PolarHBondContact O-N 2.8Å; L121-Y124 WeakPolarHBondContact O-CB 3.23Å; L121-Y124 PolarHBondContact O-N 3.3Å; L121-H125 PolarHBondContact O-CD2 2.72Å; L121-H125 PolarHBondContact O-N 2.93Å
122	L	48.9	Very low	43	Very low	4 Å²	4	67.3 Å²	67.3	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-46	176.8	-74	168.7	0	0	0	112.2	I118 D120 Y124 H125 L126 A132 L135 W136 L139	I118-L122 WeakPolarHBondContact O-CB 3.36Å; I118-L122 WeakPolarHBondContact O-CD1 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.92Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 2.81Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 3.15Å; L122-H125 PolarHBondContact O-N 3.22Å; L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 3.12Å; L122-A132 HydrophobicContact CD2-CB 3.63Å; L122-A132 WeakPolarHBondContact O-CB 3.23Å; L122-L135 HydrophobicContact CD1-CG 4.37Å; L122-L135 HydrophobicContact CD2-CB 3.91Å; L122-L135 HydrophobicContact CD2-CD2 3.94Å; L122-L135 HydrophobicContact CD2-CG 3.88Å; L122-W136 HydrophobicContact CB-CE3 4.06Å; L122-L139 HydrophobicContact CD1-CD1 3.44Å; L122-L139 VanDerWaalsContact CD1-CD1 3.44Å
123	K	50.3	Low	43.9	Very low	70 Å²	70	66.8 Å²	66.8	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-54.7	-43.2	175	-74.1	165.7	-150.1	160.6	0	112.2	I119 D120 H125 L126 W136	I119-K123 VanDerWaalsContact CG2-CE 3.45Å; I119-K123 WeakPolarHBondContact O-CE 3.44Å; I119-K123 VanDerWaalsContact O-CG 3.23Å; I119-K123 WeakPolarHBondContact O-CG 3.4Å; I119-K123 PolarHBondContact O-N 3.5Å; D120-K123 WeakPolarHBondContact O-CB 3.5Å; D120-K123 PolarHBondContact O-N 2.85Å; D120-K123 IonicContact OD1-NZ 2.59Å; D120-K123 PolarHBondContact OD1-NZ 2.97Å; K123-H125 VanDerWaalsContact C-N 3.27Å; K123-H125 PolarHBondContact O-N 3.46Å; K123-L126 WeakPolarHBondContact O-CB 3.2Å; K123-L126 PolarHBondContact O-N 3.3Å; K123-W136 HydrophobicContact CG-CH2 4.38Å; K123-W136 HydrophobicContact CG-CZ3 4.23Å
124	Y	49	Very low	44.8	Very low	89 Å²	89	63.9 Å²	63.9	35%	0.349	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-37.9	-179	-174.2	-91.3	0	0	0	112.2	I99 P100 N103 D120 L121 L122	I99-Y124 HydrophobicContact CG2-CE1 4.45Å; P100-Y124 WeakPolarHBondContact CD-OH 3.4Å; P100-Y124 HydrophobicContact CG-CE1 4.47Å; N103-Y124 HydrophobicContact CB-CE2 4.14Å; N103-Y124 PolarHBondContact ND2-OH 3.27Å; D120-Y124 PolarHBondContact O-N 2.88Å; L121-Y124 WeakPolarHBondContact O-CB 3.23Å; L121-Y124 PolarHBondContact O-N 3.3Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 3.15Å
125	H	43.9	Very low	45.5	Very low	18 Å²	18	55.7 Å²	55.7	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-93.9	-1.1	-179.3	-64.2	-68.5	0	0	0	114.7	W95 L121 L122 K123 G127 S128 N129 A132	W95-H125 PolarHBondContact O-CE1 3.47Å; W95-H125 PolarHBondContact O-NE2 3.05Å; L121-H125 PolarHBondContact O-CD2 2.72Å; L121-H125 PolarHBondContact O-N 2.93Å; L122-H125 PolarHBondContact O-N 3.22Å; K123-H125 VanDerWaalsContact C-N 3.27Å; K123-H125 PolarHBondContact O-N 3.46Å; H125-G127 PolarHBondContact O-N 2.8Å; H125-S128 PolarHBondContact O-N 3.13Å; H125-N129 HydrophobicContact CB-CB 4.27Å; H125-N129 PolarHBondContact O-N 3.21Å; H125-A132 HydrophobicContact CB-CB 3.48Å; H125-A132 VanDerWaalsContact CB-CB 3.48Å
126	L	50.7	Low	46.4	Very low	50 Å²	50	51.5 Å²	51.5	26%	0.262	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.6	-176.1	-92.7	-176.5	0	0	0	114.6	L122 K123 Q133 W136	L122-L126 WeakPolarHBondContact O-CG 3.27Å; L122-L126 PolarHBondContact O-N 3.12Å; K123-L126 WeakPolarHBondContact O-CB 3.2Å; K123-L126 PolarHBondContact O-N 3.3Å; L126-Q133 HydrophobicContact CD2-CB 4.48Å; L126-Q133 HydrophobicContact CD2-CG 4.47Å; L126-W136 HydrophobicContact CD1-CD2 4Å; L126-W136 HydrophobicContact CD1-CE3 4.39Å; L126-W136 HydrophobicContact CD1-CG 4.23Å; L126-W136 HydrophobicContact CD1-CZ2 4.47Å; L126-W136 HydrophobicContact CD2-CB 3.66Å; L126-W136 HydrophobicContact CD2-CD2 4.28Å; L126-W136 HydrophobicContact CD2-CG 3.7Å; L126-W136 HydrophobicContact CG-CG 4.41Å
127	G	39.5	Very low	46.8	Very low	80 Å²	80	52.6 Å²	52.6	83%	0.825	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.7	-174.3	0	0	0	0	0	115.5	H125	H125-G127 PolarHBondContact O-N 2.8Å
128	S	48.8	Very low	47	Very low	109 Å²	109	49.3 Å²	49.3	76%	0.762	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.2	4.4	-166.6	56.1	0	0	0	0	116.1	H125	H125-S128 PolarHBondContact O-N 3.13Å
129	N	48	Very low	47.1	Very low	39 Å²	39	50.6 Å²	50.6	21%	0.209	27%	0.272	C	S	.	.			trans	-139.3	126.1	-172.2	-168.5	-2.2	0	0	0	113.5	H125 S131 A132 Q133	H125-N129 HydrophobicContact CB-CB 4.27Å; H125-N129 PolarHBondContact O-N 3.21Å; N129-S131 PolarHBondContact O-N 3.05Å; N129-S131 WeakPolarHBondContact OD1-CA 3.49Å; N129-S131 PolarHBondContact OD1-N 3.01Å; N129-S131 PolarHBondContact OD1-OG 2.85Å; N129-A132 PolarHBondContact O-N 3.08Å; N129-Q133 PolarHBondContact O-N 3.07Å; N129-Q133 VanDerWaalsContact O-N 3.11Å
130	Y	44.7	Very low	47.2	Very low	79 Å²	79	53 Å²	53	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-42.5	-41.8	161.3	167.2	-161.4	0	0	0	109.1	A132 Q133 Y134 F420 V421	Y130-A132 PolarHBondContact O-N 2.59Å; Y130-Q133 PolarHBondContact O-N 3.03Å; Y130-Y134 VanDerWaalsContact CD2-CB 3.45Å; Y130-Y134 HydrophobicContact CD2-CG 4.11Å; Y130-Y134 AromaticContact CE2-CD1 3.83Å; Y130-Y134 HydrophobicContact CE2-CD1 3.83Å; Y130-Y134 AromaticContact CE2-CD2 3.92Å; Y130-Y134 HydrophobicContact CE2-CD2 3.92Å; Y130-Y134 HydrophobicContact CE2-CE1 4.42Å; Y130-Y134 AromaticContact CE2-CG 3.54Å; Y130-Y134 HydrophobicContact CE2-CG 3.54Å; Y130-Y134 PolarHBondContact O-N 2.81Å; Y130-F420 HydrophobicContact CD1-CB 2.3Å; Y130-F420 AromaticContact CD1-CD1 3.73Å; Y130-F420 HydrophobicContact CD1-CD1 3.73Å; Y130-F420 AromaticContact CD1-CD2 2.6Å; Y130-F420 HydrophobicContact CD1-CD2 2.6Å; Y130-F420 AromaticContact CD1-CE2 3.98Å; Y130-F420 HydrophobicContact CD1-CE2 3.98Å; Y130-F420 AromaticContact CD1-CG 2.29Å; Y130-F420 HydrophobicContact CD1-CG 2.29Å; Y130-F420 VanDerWaalsContact CD1-N 3.3Å; Y130-F420 HydrophobicContact CD2-CB 2.31Å; Y130-F420 AromaticContact CD2-CD1 2.68Å; Y130-F420 HydrophobicContact CD2-CD1 2.68Å; Y130-F420 AromaticContact CD2-CD2 3.7Å; Y130-F420 HydrophobicContact CD2-CD2 3.7Å; Y130-F420 HydrophobicContact CD2-CE1 4.05Å; Y130-F420 AromaticContact CD2-CG 2.3Å; Y130-F420 HydrophobicContact CD2-CG 2.3Å; Y130-F420 HydrophobicContact CE1-CB 2.3Å; Y130-F420 AromaticContact CE1-CD1 3.65Å; Y130-F420 HydrophobicContact CE1-CD1 3.65Å; Y130-F420 AromaticContact CE1-CD2 2.6Å; Y130-F420 HydrophobicContact CE1-CD2 2.6Å; Y130-F420 AromaticContact CE1-CE2 3.87Å; Y130-F420 HydrophobicContact CE1-CE2 3.87Å; Y130-F420 AromaticContact CE1-CG 2.28Å; Y130-F420 HydrophobicContact CE1-CG 2.28Å; Y130-F420 HydrophobicContact CE2-CB 2.29Å; Y130-F420 AromaticContact CE2-CD1 2.57Å; Y130-F420 HydrophobicContact CE2-CD1 2.57Å; Y130-F420 AromaticContact CE2-CD2 3.73Å; Y130-F420 HydrophobicContact CE2-CD2 3.73Å; Y130-F420 AromaticContact CE2-CE1 3.88Å; Y130-F420 HydrophobicContact CE2-CE1 3.88Å; Y130-F420 AromaticContact CE2-CG 2.3Å; Y130-F420 HydrophobicContact CE2-CG 2.3Å; Y130-F420 HydrophobicContact CG-CB 2.33Å; Y130-F420 AromaticContact CG-CD1 3.29Å; Y130-F420 HydrophobicContact CG-CD1 3.29Å; Y130-F420 AromaticContact CG-CD2 3.19Å; Y130-F420 HydrophobicContact CG-CD2 3.19Å; Y130-F420 HydrophobicContact CG-CE2 4.44Å; Y130-F420 AromaticContact CG-CG 2.3Å; Y130-F420 HydrophobicContact CG-CG 2.3Å; Y130-F420 AromaticContact CZ-CD1 3.08Å; Y130-F420 AromaticContact CZ-CD2 3.2Å; Y130-F420 AromaticContact CZ-CG 2.27Å; Y130-F420 WeakPolarHBondContact OH-CA 3.12Å; Y130-F420 WeakPolarHBondContact OH-CB 3.41Å; Y130-F420 WeakPolarHBondContact OH-CG 3.13Å; Y130-V421 PolarHBondContact OH-N 3.13Å
131	S	44.1	Very low	47.2	Very low	10 Å²	10	53 Å²	53	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-37.1	-70.5	-177.6	74.3	0	0	0	0	111.4	W95 N129 L135 F420	W95-S131 VanDerWaalsContact CZ2-CB 3.43Å; W95-S131 PolarHBondContact NE1-OG 2.87Å; N129-S131 PolarHBondContact O-N 3.05Å; N129-S131 WeakPolarHBondContact OD1-CA 3.49Å; N129-S131 PolarHBondContact OD1-N 3.01Å; N129-S131 PolarHBondContact OD1-OG 2.85Å; S131-L135 VanDerWaalsContact O-CB 3.27Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.36Å; S131-F420 WeakPolarHBondContact OG-CE2 3.45Å
132	A	45.4	Very low	47.2	Very low	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-86	-30.7	-176.3	0	0	0	0	0	113.6	W95 L122 H125 N129 Y130 Y134 L135 W136	W95-A132 HydrophobicContact CZ3-CB 4.48Å; L122-A132 HydrophobicContact CD2-CB 3.63Å; L122-A132 WeakPolarHBondContact O-CB 3.23Å; H125-A132 HydrophobicContact CB-CB 3.48Å; H125-A132 VanDerWaalsContact CB-CB 3.48Å; N129-A132 PolarHBondContact O-N 3.08Å; Y130-A132 PolarHBondContact O-N 2.59Å; A132-Y134 PolarHBondContact O-N 3.47Å; A132-L135 PolarHBondContact O-N 2.98Å; A132-W136 WeakPolarHBondContact O-CA 3.48Å; A132-W136 WeakPolarHBondContact O-CB 3.49Å; A132-W136 PolarHBondContact O-N 3.04Å
133	Q	47	Very low	47	Very low	111 Å²	111	55 Å²	55	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-42.6	-177.6	-159.4	-171.4	46	0	0	111.9	L126 N129 Y130 N137	L126-Q133 HydrophobicContact CD2-CB 4.48Å; L126-Q133 HydrophobicContact CD2-CG 4.47Å; N129-Q133 PolarHBondContact O-N 3.07Å; N129-Q133 VanDerWaalsContact O-N 3.11Å; Y130-Q133 PolarHBondContact O-N 3.03Å; Q133-N137 WeakPolarHBondContact O-CB 3.43Å; Q133-N137 VanDerWaalsContact O-CG 3.23Å; Q133-N137 PolarHBondContact O-N 3.08Å; Q133-N137 PolarHBondContact O-ND2 3.14Å; Q133-N137 VanDerWaalsContact O-ND2 3.17Å
134	Y	46.4	Very low	46.8	Very low	54 Å²	54	57.7 Å²	57.7	21%	0.212	29%	0.293	C	S	.	.	H	α-helix	trans	-75.6	-41.2	173.5	177.8	-97.1	0	0	0	112.2	Y130 A132 W136 N137 L138 F420 V421	Y130-Y134 VanDerWaalsContact CD2-CB 3.45Å; Y130-Y134 HydrophobicContact CD2-CG 4.11Å; Y130-Y134 AromaticContact CE2-CD1 3.83Å; Y130-Y134 HydrophobicContact CE2-CD1 3.83Å; Y130-Y134 AromaticContact CE2-CD2 3.92Å; Y130-Y134 HydrophobicContact CE2-CD2 3.92Å; Y130-Y134 HydrophobicContact CE2-CE1 4.42Å; Y130-Y134 AromaticContact CE2-CG 3.54Å; Y130-Y134 HydrophobicContact CE2-CG 3.54Å; Y130-Y134 PolarHBondContact O-N 2.81Å; A132-Y134 PolarHBondContact O-N 3.47Å; Y134-W136 VanDerWaalsContact C-N 3.26Å; Y134-W136 PolarHBondContact O-N 3.45Å; Y134-N137 CarbonylContact O-C 3.55Å; Y134-N137 PolarHBondContact O-N 3.02Å; Y134-N137 VanDerWaalsContact O-N 3.12Å; Y134-L138 HydrophobicContact CE1-CD2 4.22Å; Y134-L138 WeakPolarHBondContact O-CB 3.46Å; Y134-L138 PolarHBondContact O-N 3.2Å; Y134-F420 AromaticContact CD1-CD1 3.72Å; Y134-F420 HydrophobicContact CD1-CD1 3.72Å; Y134-F420 AromaticContact CD1-CE1 3.93Å; Y134-F420 HydrophobicContact CD1-CE1 3.93Å; Y134-F420 HydrophobicContact CG-CD1 4.06Å; Y134-V421 HydrophobicContact CE2-CG1 4.48Å
135	L	48.3	Very low	46.8	Very low	15 Å²	15	55.7 Å²	55.7	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-35.2	178	-176.4	50.1	0	0	0	111.5	W46 L122 S131 A132 L138 L139	W46-L135 HydrophobicContact CH2-CD1 4.42Å; W46-L135 HydrophobicContact CH2-CD2 4.31Å; W46-L135 HydrophobicContact CZ2-CD2 4.36Å; L122-L135 HydrophobicContact CD1-CG 4.37Å; L122-L135 HydrophobicContact CD2-CB 3.91Å; L122-L135 HydrophobicContact CD2-CD2 3.94Å; L122-L135 HydrophobicContact CD2-CG 3.88Å; S131-L135 VanDerWaalsContact O-CB 3.27Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.36Å; A132-L135 PolarHBondContact O-N 2.98Å; L135-L138 HydrophobicContact CD1-CD2 4.2Å; L135-L139 HydrophobicContact CD1-CD1 4.41Å; L135-L139 HydrophobicContact CD1-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 4.4Å; L135-L139 WeakPolarHBondContact O-CB 3.13Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.97Å
136	W	48.5	Very low	46.9	Very low	32 Å²	32	57.9 Å²	57.9	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-45	169.1	-179.9	-94.1	0	0	0	112.8	I119 L122 K123 L126 A132 Y134 L138 L139 R140	I119-W136 HydrophobicContact CG2-CZ3 4.3Å; L122-W136 HydrophobicContact CB-CE3 4.06Å; K123-W136 HydrophobicContact CG-CH2 4.38Å; K123-W136 HydrophobicContact CG-CZ3 4.23Å; L126-W136 HydrophobicContact CD1-CD2 4Å; L126-W136 HydrophobicContact CD1-CE3 4.39Å; L126-W136 HydrophobicContact CD1-CG 4.23Å; L126-W136 HydrophobicContact CD1-CZ2 4.47Å; L126-W136 HydrophobicContact CD2-CB 3.66Å; L126-W136 HydrophobicContact CD2-CD2 4.28Å; L126-W136 HydrophobicContact CD2-CG 3.7Å; L126-W136 HydrophobicContact CG-CG 4.41Å; A132-W136 WeakPolarHBondContact O-CA 3.48Å; A132-W136 WeakPolarHBondContact O-CB 3.49Å; A132-W136 PolarHBondContact O-N 3.04Å; Y134-W136 VanDerWaalsContact C-N 3.26Å; Y134-W136 PolarHBondContact O-N 3.45Å; W136-L138 VanDerWaalsContact C-N 3.31Å; W136-L138 PolarHBondContact O-N 3.09Å; W136-L139 PolarHBondContact O-N 3.2Å; W136-R140 WeakPolarHBondContact O-CB 3.04Å; W136-R140 PolarHBondContact O-N 3.27Å
137	N	47.5	Very low	46.8	Very low	73 Å²	73	56.4 Å²	56.4	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-68.3	-30.2	176.1	-76.4	-28.2	0	0	0	112.5	Q133 Y134 Y141	Q133-N137 WeakPolarHBondContact O-CB 3.43Å; Q133-N137 VanDerWaalsContact O-CG 3.23Å; Q133-N137 PolarHBondContact O-N 3.08Å; Q133-N137 PolarHBondContact O-ND2 3.14Å; Q133-N137 VanDerWaalsContact O-ND2 3.17Å; Y134-N137 CarbonylContact O-C 3.55Å; Y134-N137 PolarHBondContact O-N 3.02Å; Y134-N137 VanDerWaalsContact O-N 3.12Å; N137-Y141 WeakPolarHBondContact O-CB 3.48Å; N137-Y141 PolarHBondContact O-N 3.08Å
138	L	49.4	Very low	47.3	Very low	17 Å²	17	55 Å²	55	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-48.1	173.8	172.1	57	0	0	0	110.3	Y134 L135 W136 Y141 K142	Y134-L138 HydrophobicContact CE1-CD2 4.22Å; Y134-L138 WeakPolarHBondContact O-CB 3.46Å; Y134-L138 PolarHBondContact O-N 3.2Å; L135-L138 HydrophobicContact CD1-CD2 4.2Å; W136-L138 VanDerWaalsContact C-N 3.31Å; W136-L138 PolarHBondContact O-N 3.09Å; L138-Y141 PolarHBondContact O-N 3.37Å; L138-K142 HydrophobicContact CD1-CG 4.13Å; L138-K142 WeakPolarHBondContact O-CB 3.46Å; L138-K142 PolarHBondContact O-N 2.77Å
139	L	47.3	Very low	47.5	Very low	49 Å²	49	52.4 Å²	52.4	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-42.8	173.2	-74	167.4	0	0	0	111.7	L122 L135 W136 K142 S143	L122-L139 HydrophobicContact CD1-CD1 3.44Å; L122-L139 VanDerWaalsContact CD1-CD1 3.44Å; L135-L139 HydrophobicContact CD1-CD1 4.41Å; L135-L139 HydrophobicContact CD1-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 4.4Å; L135-L139 WeakPolarHBondContact O-CB 3.13Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.97Å; W136-L139 PolarHBondContact O-N 3.2Å; L139-K142 PolarHBondContact O-N 2.91Å; L139-S143 WeakPolarHBondContact O-CB 3.46Å; L139-S143 PolarHBondContact O-N 3.29Å; L139-S143 PolarHBondContact O-OG 2.79Å
140	R	49.2	Very low	47.6	Very low	124 Å²	124	51.7 Å²	51.7	47%	0.468	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-50.8	174	178.6	-176.6	-78.7	168.3	-11.8	110.4	W136 S143 Y144	W136-R140 WeakPolarHBondContact O-CB 3.04Å; W136-R140 PolarHBondContact O-N 3.27Å; R140-S143 PolarHBondContact O-N 3.16Å; R140-S143 PolarHBondContact O-OG 3.24Å; R140-Y144 WeakPolarHBondContact O-CB 3.39Å; R140-Y144 PolarHBondContact O-N 3.47Å
141	Y	46.4	Very low	47.9	Very low	69 Å²	69	51.3 Å²	51.3	27%	0.271	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-50.3	176.4	-177.7	-76.2	0	0	0	111.2	N137 L138 S143 Y144 E145 K423 T424	N137-Y141 WeakPolarHBondContact O-CB 3.48Å; N137-Y141 PolarHBondContact O-N 3.08Å; L138-Y141 PolarHBondContact O-N 3.37Å; Y141-S143 VanDerWaalsContact C-N 3.26Å; Y141-S143 PolarHBondContact O-N 3.26Å; Y141-Y144 CarbonylContact O-C 3.56Å; Y141-Y144 WeakPolarHBondContact O-CA 3.27Å; Y141-Y144 PolarHBondContact O-N 2.88Å; Y141-E145 HydrophobicContact CD1-CB 4.17Å; Y141-E145 HydrophobicContact CE1-CB 4.05Å; Y141-E145 HydrophobicContact CE1-CG 4.29Å; Y141-E145 WeakPolarHBondContact CE1-OE2 3.41Å; Y141-E145 VanDerWaalsContact O-CB 3.27Å; Y141-E145 WeakPolarHBondContact O-CB 3.19Å; Y141-E145 PolarHBondContact O-N 3.22Å; Y141-K423 HydrophobicContact CD1-CD 4.12Å; Y141-K423 HydrophobicContact CD2-CD 4.2Å; Y141-K423 HydrophobicContact CE1-CD 4.19Å; Y141-K423 HydrophobicContact CE2-CD 4.31Å; Y141-K423 HydrophobicContact CG-CD 4.11Å; Y141-T424 HydrophobicContact CE2-CG2 3.62Å; Y141-T424 VanDerWaalsContact OH-CG2 3.26Å; Y141-T424 WeakPolarHBondContact OH-CG2 3.37Å
142	K	47.8	Very low	48.4	Very low	32 Å²	32	56.6 Å²	56.6	14%	0.139	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-29.9	180	-81	-80.7	168.7	-163.2	0	111.5	Y38 L55 L138 L139 E145 Q146	Y38-K142 PolarHBondContact OH-NZ 3.45Å; Y38-K142 VanDerWaalsContact OH-NZ 3.08Å; L55-K142 HydrophobicContact CD2-CD 4.45Å; L138-K142 HydrophobicContact CD1-CG 4.13Å; L138-K142 WeakPolarHBondContact O-CB 3.46Å; L138-K142 PolarHBondContact O-N 2.77Å; L139-K142 PolarHBondContact O-N 2.91Å; K142-E145 WeakPolarHBondContact CD-OE2 3.43Å; K142-E145 WeakPolarHBondContact CE-OE2 3.49Å; K142-E145 IonicContact NZ-OE1 3.03Å; K142-E145 PolarHBondContact NZ-OE1 2.65Å; K142-E145 IonicContact NZ-OE2 2.81Å; K142-E145 PolarHBondContact NZ-OE2 3.2Å; K142-Q146 WeakPolarHBondContact O-CA 3.45Å; K142-Q146 WeakPolarHBondContact O-CB 3.31Å; K142-Q146 WeakPolarHBondContact O-CG 3.33Å; K142-Q146 PolarHBondContact O-N 3.31Å
143	S	44.5	Very low	48.7	Very low	36 Å²	36	61 Å²	61	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-72	-31.7	170.3	75.9	0	0	0	0	113.1	L139 R140 Y141 L147	L139-S143 WeakPolarHBondContact O-CB 3.46Å; L139-S143 PolarHBondContact O-N 3.29Å; L139-S143 PolarHBondContact O-OG 2.79Å; R140-S143 PolarHBondContact O-N 3.16Å; R140-S143 PolarHBondContact O-OG 3.24Å; Y141-S143 VanDerWaalsContact C-N 3.26Å; Y141-S143 PolarHBondContact O-N 3.26Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.24Å; S143-L147 PolarHBondContact O-N 3.13Å
144	Y	47.3	Very low	48.6	Very low	126 Å²	126	56.3 Å²	56.3	49%	0.494	26%	0.256	S	S	.	.	H	α-helix	trans	-79.7	-35.9	175.8	-173.8	-120.6	0	0	0	112.2	R140 Y141 L147 I148	R140-Y144 WeakPolarHBondContact O-CB 3.39Å; R140-Y144 PolarHBondContact O-N 3.47Å; Y141-Y144 CarbonylContact O-C 3.56Å; Y141-Y144 WeakPolarHBondContact O-CA 3.27Å; Y141-Y144 PolarHBondContact O-N 2.88Å; Y144-L147 HydrophobicContact CD2-CD1 4.43Å; Y144-L147 WeakPolarHBondContact O-CB 3.21Å; Y144-L147 PolarHBondContact O-N 3.35Å; Y144-I148 HydrophobicContact CD1-CD1 3.82Å; Y144-I148 HydrophobicContact CE1-CD1 3.44Å; Y144-I148 VanDerWaalsContact CE1-CD1 3.44Å; Y144-I148 HydrophobicContact CE1-CG1 4.43Å; Y144-I148 HydrophobicContact CE2-CD1 4.17Å; Y144-I148 HydrophobicContact CE2-CG1 4.32Å; Y144-I148 HydrophobicContact CG-CD1 4.35Å; Y144-I148 WeakPolarHBondContact O-CB 3.04Å; Y144-I148 WeakPolarHBondContact O-CG1 3.43Å; Y144-I148 PolarHBondContact O-N 3.16Å
145	E	48.1	Very low	48.9	Very low	46 Å²	46	53.7 Å²	53.7	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-44.3	167.9	-173.5	-164	145.6	0	0	110	Y141 K142 L147 N149	Y141-E145 HydrophobicContact CD1-CB 4.17Å; Y141-E145 HydrophobicContact CE1-CB 4.05Å; Y141-E145 HydrophobicContact CE1-CG 4.29Å; Y141-E145 WeakPolarHBondContact CE1-OE2 3.41Å; Y141-E145 VanDerWaalsContact O-CB 3.27Å; Y141-E145 WeakPolarHBondContact O-CB 3.19Å; Y141-E145 PolarHBondContact O-N 3.22Å; K142-E145 WeakPolarHBondContact CD-OE2 3.43Å; K142-E145 WeakPolarHBondContact CE-OE2 3.49Å; K142-E145 IonicContact NZ-OE1 3.03Å; K142-E145 PolarHBondContact NZ-OE1 2.65Å; K142-E145 IonicContact NZ-OE2 2.81Å; K142-E145 PolarHBondContact NZ-OE2 3.2Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3.15Å; E145-N149 WeakPolarHBondContact O-CB 3.42Å; E145-N149 PolarHBondContact O-N 2.99Å; E145-N149 PolarHBondContact O-ND2 3.31Å
146	Q	46.9	Very low	48.9	Very low	65 Å²	65	53.7 Å²	53.7	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-34	170.4	-78.7	169.7	-3.1	0	0	111.5	F54 L55 K142 N149 Y150	F54-Q146 PolarHBondContact O-NE2 3.21Å; F54-Q146 VanDerWaalsContact O-NE2 3.08Å; L55-Q146 PolarHBondContact O-NE2 3.49Å; K142-Q146 WeakPolarHBondContact O-CA 3.45Å; K142-Q146 WeakPolarHBondContact O-CB 3.31Å; K142-Q146 WeakPolarHBondContact O-CG 3.33Å; K142-Q146 PolarHBondContact O-N 3.31Å; Q146-N149 CarbonylContact O-C 3.34Å; Q146-Y150 WeakPolarHBondContact O-CA 3.34Å; Q146-Y150 WeakPolarHBondContact O-CB 3.22Å; Q146-Y150 PolarHBondContact O-N 3.11Å
147	L	47.9	Very low	48.8	Very low	19 Å²	19	57 Å²	57	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-51.4	173.4	-86.7	163.6	0	0	0	112.6	S143 Y144 E145 N149 Y150 E151 Y162 L179	S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.24Å; S143-L147 PolarHBondContact O-N 3.13Å; Y144-L147 HydrophobicContact CD2-CD1 4.43Å; Y144-L147 WeakPolarHBondContact O-CB 3.21Å; Y144-L147 PolarHBondContact O-N 3.35Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3.15Å; L147-N149 PolarHBondContact O-N 3.42Å; L147-Y150 CarbonylContact O-C 3.6Å; L147-Y150 WeakPolarHBondContact O-CA 3.42Å; L147-Y150 VanDerWaalsContact O-CB 3.3Å; L147-Y150 WeakPolarHBondContact O-CB 3.32Å; L147-Y150 PolarHBondContact O-N 3.38Å; L147-E151 WeakPolarHBondContact O-CB 3.33Å; L147-E151 PolarHBondContact O-N 3.24Å; L147-Y162 HydrophobicContact CD2-CE2 3.72Å; L147-L179 HydrophobicContact CD1-CB 3.62Å; L147-L179 HydrophobicContact CD1-CD1 4.36Å; L147-L179 HydrophobicContact CD1-CD2 3.96Å; L147-L179 HydrophobicContact CD1-CG 4.17Å; L147-L179 HydrophobicContact CD2-CD1 3.73Å; L147-L179 HydrophobicContact CD2-CD2 3.8Å; L147-L179 HydrophobicContact CD2-CG 4.19Å; L147-L179 HydrophobicContact CG-CD2 4.08Å
148	I	50.8	Low	48.6	Very low	50 Å²	50	53.7 Å²	53.7	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-38.2	174.8	-73.7	167	0	0	0	110	Y144 K152	Y144-I148 HydrophobicContact CD1-CD1 3.82Å; Y144-I148 HydrophobicContact CE1-CD1 3.44Å; Y144-I148 VanDerWaalsContact CE1-CD1 3.44Å; Y144-I148 HydrophobicContact CE1-CG1 4.43Å; Y144-I148 HydrophobicContact CE2-CD1 4.17Å; Y144-I148 HydrophobicContact CE2-CG1 4.32Å; Y144-I148 HydrophobicContact CG-CD1 4.35Å; Y144-I148 WeakPolarHBondContact O-CB 3.04Å; Y144-I148 WeakPolarHBondContact O-CG1 3.43Å; Y144-I148 PolarHBondContact O-N 3.16Å; I148-K152 HydrophobicContact CG2-CD 4.08Å; I148-K152 WeakPolarHBondContact O-CB 3.26Å; I148-K152 WeakPolarHBondContact O-CD 3.16Å; I148-K152 WeakPolarHBondContact O-CG 3.17Å; I148-K152 PolarHBondContact O-N 3.34Å
149	N	52.7	Low	48.4	Very low	54 Å²	54	56.9 Å²	56.9	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-75.5	-26.4	175.2	-67.9	-16.9	0	0	0	112.2	E145 Q146 L147 K152 Q153	E145-N149 WeakPolarHBondContact O-CB 3.42Å; E145-N149 PolarHBondContact O-N 2.99Å; E145-N149 PolarHBondContact O-ND2 3.31Å; Q146-N149 CarbonylContact O-C 3.34Å; L147-N149 PolarHBondContact O-N 3.42Å; N149-K152 PolarHBondContact OD1-NZ 3.4Å; N149-Q153 WeakPolarHBondContact O-CB 3.36Å; N149-Q153 VanDerWaalsContact O-CD 3.29Å; N149-Q153 WeakPolarHBondContact O-CG 3.48Å; N149-Q153 PolarHBondContact O-N 3.24Å; N149-Q153 VanDerWaalsContact O-N 3.09Å; N149-Q153 PolarHBondContact O-NE2 3.2Å
150	Y	49	Very low	48.1	Very low	24 Å²	24	56.5 Å²	56.5	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-45.8	172.8	-178	-82.3	0	0	0	109.9	I59 Q146 L147 Q153 L154 Y162 M195 K199	I59-Y150 HydrophobicContact CD1-CD2 4.47Å; I59-Y150 HydrophobicContact CD1-CE2 4.38Å; Q146-Y150 WeakPolarHBondContact O-CA 3.34Å; Q146-Y150 WeakPolarHBondContact O-CB 3.22Å; Q146-Y150 PolarHBondContact O-N 3.11Å; L147-Y150 CarbonylContact O-C 3.6Å; L147-Y150 WeakPolarHBondContact O-CA 3.42Å; L147-Y150 VanDerWaalsContact O-CB 3.3Å; L147-Y150 WeakPolarHBondContact O-CB 3.32Å; L147-Y150 PolarHBondContact O-N 3.38Å; Y150-Q153 CarbonylContact O-C 3.31Å; Y150-Q153 WeakPolarHBondContact O-CA 3.36Å; Y150-Q153 VanDerWaalsContact O-CB 3.25Å; Y150-Q153 WeakPolarHBondContact O-CB 3.41Å; Y150-Q153 PolarHBondContact O-N 2.87Å; Y150-L154 HydrophobicContact CD1-CD1 4.39Å; Y150-L154 HydrophobicContact CD1-CD2 3.51Å; Y150-L154 HydrophobicContact CD1-CG 4.03Å; Y150-L154 HydrophobicContact CE1-CD1 4.38Å; Y150-L154 HydrophobicContact CE1-CD2 3.15Å; Y150-L154 HydrophobicContact CE1-CG 4.09Å; Y150-L154 HydrophobicContact CG-CD2 4.47Å; Y150-L154 VanDerWaalsContact O-CG 3.26Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 2.79Å; Y150-Y162 HydrophobicContact CD1-CD2 4.35Å; Y150-Y162 HydrophobicContact CD1-CE2 4.42Å; Y150-Y162 HydrophobicContact CE1-CD2 4.47Å; Y150-M195 HydrophobicContact CE1-CE 3.78Å; Y150-M195 HydrophobicContact CE1-SD 4.4Å; Y150-M195 HydrophobicContact CE2-CE 4.44Å; Y150-M195 HydrophobicContact CE2-SD 4.28Å; Y150-M195 VanDerWaalsContact OH-CB 3.29Å; Y150-M195 WeakPolarHBondContact OH-CB 2.98Å; Y150-M195 VanDerWaalsContact OH-CG 3.24Å; Y150-M195 WeakPolarHBondContact OH-CG 3.08Å; Y150-M195 PolarHBondContact OH-SD 2.93Å; Y150-K199 WeakPolarHBondContact OH-CE 3.42Å
151	E	50.8	Low	47.7	Very low	71 Å²	71	53.1 Å²	53.1	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-56.6	-53.9	171.2	-175.5	175.7	172.5	0	0	112	L147 Q153 L154 Y159 Y162	L147-E151 WeakPolarHBondContact O-CB 3.33Å; L147-E151 PolarHBondContact O-N 3.24Å; E151-Q153 PolarHBondContact O-N 3.35Å; E151-L154 WeakPolarHBondContact O-CB 3.38Å; E151-L154 PolarHBondContact O-N 3.43Å; E151-Y159 HydrophobicContact CG-CE2 4.39Å; E151-Y162 HydrophobicContact CB-CE1 3.89Å; E151-Y162 HydrophobicContact CG-CD1 4.24Å; E151-Y162 HydrophobicContact CG-CE1 3.55Å; E151-Y162 WeakPolarHBondContact OE2-CE1 3.3Å; E151-Y162 PolarHBondContact OE2-OH 2.87Å
152	K	55.8	Low	47.5	Very low	121 Å²	121	51 Å²	51	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.6	168	-69	164.5	-172.8	166.8	0	113.5	I148 N149	I148-K152 HydrophobicContact CG2-CD 4.08Å; I148-K152 WeakPolarHBondContact O-CB 3.26Å; I148-K152 WeakPolarHBondContact O-CD 3.16Å; I148-K152 WeakPolarHBondContact O-CG 3.17Å; I148-K152 PolarHBondContact O-N 3.34Å; N149-K152 PolarHBondContact OD1-NZ 3.4Å
153	Q	52	Low	47.1	Very low	94 Å²	94	50.4 Å²	50.4	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.2	177.6	-78.8	176.5	50.7	0	0	113.6	N149 Y150 E151 K204	N149-Q153 WeakPolarHBondContact O-CB 3.36Å; N149-Q153 VanDerWaalsContact O-CD 3.29Å; N149-Q153 WeakPolarHBondContact O-CG 3.48Å; N149-Q153 PolarHBondContact O-N 3.24Å; N149-Q153 VanDerWaalsContact O-N 3.09Å; N149-Q153 PolarHBondContact O-NE2 3.2Å; Y150-Q153 CarbonylContact O-C 3.31Å; Y150-Q153 WeakPolarHBondContact O-CA 3.36Å; Y150-Q153 VanDerWaalsContact O-CB 3.25Å; Y150-Q153 WeakPolarHBondContact O-CB 3.41Å; Y150-Q153 PolarHBondContact O-N 2.87Å; E151-Q153 PolarHBondContact O-N 3.35Å; Q153-K204 VanDerWaalsContact CA-NZ 3.31Å; Q153-K204 VanDerWaalsContact O-CD 3.23Å; Q153-K204 WeakPolarHBondContact O-CD 3.13Å; Q153-K204 WeakPolarHBondContact O-CE 3.42Å; Q153-K204 PolarHBondContact O-NZ 2.78Å
154	L	44.6	Very low	46.8	Very low	11 Å²	11	52.6 Å²	52.6	6%	0.058	26%	0.256	C	S	.	.			trans	-77.7	159.9	-175.4	-78.7	-172	0	0	0	113.3	Y150 E151 D158 Y159 Y162	Y150-L154 HydrophobicContact CD1-CD1 4.39Å; Y150-L154 HydrophobicContact CD1-CD2 3.51Å; Y150-L154 HydrophobicContact CD1-CG 4.03Å; Y150-L154 HydrophobicContact CE1-CD1 4.38Å; Y150-L154 HydrophobicContact CE1-CD2 3.15Å; Y150-L154 HydrophobicContact CE1-CG 4.09Å; Y150-L154 HydrophobicContact CG-CD2 4.47Å; Y150-L154 VanDerWaalsContact O-CG 3.26Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 2.79Å; E151-L154 WeakPolarHBondContact O-CB 3.38Å; E151-L154 PolarHBondContact O-N 3.43Å; L154-D158 HydrophobicContact CB-CB 3.92Å; L154-D158 HydrophobicContact CD1-CB 4.09Å; L154-D158 HydrophobicContact CD2-CB 3.38Å; L154-D158 WeakPolarHBondContact CD2-OD2 3.23Å; L154-D158 HydrophobicContact CG-CB 3.94Å; L154-Y159 HydrophobicContact CD1-CD2 4.48Å; L154-Y162 HydrophobicContact CD1-CD1 3.95Å; L154-Y162 HydrophobicContact CD1-CD2 3.99Å; L154-Y162 HydrophobicContact CD1-CG 3.52Å
155	S	52.9	Low	46.5	Very low	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.			trans	-90.9	-175.9	153.5	119.2	0	0	0	0	111.3	D158 Y159 L198 I203 L207	S155-D158 WeakPolarHBondContact CA-OD1 3.34Å; S155-D158 WeakPolarHBondContact CB-OD1 3.4Å; S155-D158 PolarHBondContact N-OD1 2.89Å; S155-D158 PolarHBondContact N-OD2 2.94Å; S155-D158 CarbonylContact O-C 3.52Å; S155-D158 WeakPolarHBondContact O-CB 3.37Å; S155-D158 PolarHBondContact O-N 3.21Å; S155-D158 PolarHBondContact OG-OD1 3.17Å; S155-Y159 WeakPolarHBondContact O-CA 3.47Å; S155-Y159 VanDerWaalsContact O-CB 3.23Å; S155-Y159 WeakPolarHBondContact O-CB 3.29Å; S155-Y159 PolarHBondContact O-N 2.83Å; S155-L198 PolarHBondContact OG-O 2.8Å; S155-I203 VanDerWaalsContact OG-CB 3.24Å; S155-I203 WeakPolarHBondContact OG-CB 3.22Å; S155-I203 WeakPolarHBondContact OG-CG2 3.42Å; S155-L207 VanDerWaalsContact C-CD1 3.48Å; S155-L207 VanDerWaalsContact CA-CD1 3.48Å; S155-L207 VanDerWaalsContact CA-CD2 3.48Å; S155-L207 WeakPolarHBondContact O-CD2 3.16Å
156	H	47.3	Very low	46.2	Very low	14 Å²	14	48.5 Å²	48.5	7%	0.065	24%	0.243	C	C	.	.	H	α-helix	trans	-96.4	-35.2	-169.7	-125.6	-72.6	0	0	0	110.2	D158 Y159 N160 L207 M210 E298	H156-D158 PolarHBondContact O-N 3.06Å; H156-Y159 AromaticContact CE1-CD1 3.66Å; H156-Y159 PolarHBondContact O-N 3.02Å; H156-N160 PolarHBondContact ND1-OD1 2.76Å; H156-N160 VanDerWaalsContact O-CB 3.23Å; H156-N160 WeakPolarHBondContact O-CB 3.43Å; H156-N160 PolarHBondContact O-N 3.31Å; H156-N160 PolarHBondContact O-OD1 2.72Å; H156-L207 VanDerWaalsContact CA-CD2 3.45Å; H156-L207 HydrophobicContact CB-CD1 3.56Å; H156-L207 HydrophobicContact CB-CD2 3.59Å; H156-L207 HydrophobicContact CB-CG 3.55Å; H156-L207 WeakPolarHBondContact CD2-CD2 3.41Å; H156-L207 VanDerWaalsContact N-CG 3.25Å; H156-M210 HydrophobicContact CB-CE 3.94Å; H156-M210 VanDerWaalsContact CD2-CE 3.43Å; H156-M210 WeakPolarHBondContact CD2-CE 3.3Å; H156-E298 IonicContact CD2-OE1 2.63Å; H156-E298 IonicContact CE1-OE1 2.86Å; H156-E298 IonicContact CE1-OE2 3.53Å; H156-E298 PolarHBondContact CE1-OE2 2.99Å; H156-E298 IonicContact ND1-OE2 2.66Å; H156-E298 IonicContact NE2-OE1 3.7Å; H156-E298 PolarHBondContact NE2-OE1 2.95Å; H156-E298 IonicContact NE2-OE2 3.85Å; H156-E298 PolarHBondContact NE2-OE2 3.36Å
157	E	46.2	Very low	45.6	Very low	101 Å²	101	52.4 Å²	52.4	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-52.3	-43.9	159.6	-55.4	171.9	-148.4	0	0	107.7	T161 L198 I203	E157-T161 PolarHBondContact O-N 2.97Å; E157-T161 PolarHBondContact O-OG1 3.25Å; E157-L198 HydrophobicContact CB-CD2 3.51Å; E157-L198 WeakPolarHBondContact O-CD1 3.33Å; E157-I203 HydrophobicContact CB-CG2 4.42Å; E157-I203 HydrophobicContact CG-CG2 3.91Å; E157-I203 WeakPolarHBondContact OE1-CG1 3.37Å; E157-I203 VanDerWaalsContact OE1-CG2 3.26Å; E157-I203 WeakPolarHBondContact OE1-CG2 3.36Å; E157-I203 WeakPolarHBondContact OE2-CD1 3.5Å
158	D	44	Very low	44.9	Very low	4 Å²	4	58.5 Å²	58.5	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-45.8	172.4	-28.6	14.7	0	0	0	113.8	L154 S155 H156 T161 Y162 L198 K199	L154-D158 HydrophobicContact CB-CB 3.92Å; L154-D158 HydrophobicContact CD1-CB 4.09Å; L154-D158 HydrophobicContact CD2-CB 3.38Å; L154-D158 WeakPolarHBondContact CD2-OD2 3.23Å; L154-D158 HydrophobicContact CG-CB 3.94Å; S155-D158 WeakPolarHBondContact CA-OD1 3.34Å; S155-D158 WeakPolarHBondContact CB-OD1 3.4Å; S155-D158 PolarHBondContact N-OD1 2.89Å; S155-D158 PolarHBondContact N-OD2 2.94Å; S155-D158 CarbonylContact O-C 3.52Å; S155-D158 WeakPolarHBondContact O-CB 3.37Å; S155-D158 PolarHBondContact O-N 3.21Å; S155-D158 PolarHBondContact OG-OD1 3.17Å; H156-D158 PolarHBondContact O-N 3.06Å; D158-T161 CarbonylContact O-C 3.11Å; D158-T161 WeakPolarHBondContact O-CA 3.07Å; D158-T161 WeakPolarHBondContact O-CB 3.45Å; D158-T161 PolarHBondContact O-N 2.83Å; D158-T161 VanDerWaalsContact O-N 3.11Å; D158-Y162 VanDerWaalsContact O-CB 3.27Å; D158-Y162 WeakPolarHBondContact O-CB 3.22Å; D158-Y162 PolarHBondContact O-N 3.37Å; D158-L198 HydrophobicContact CB-CB 3.87Å; D158-L198 HydrophobicContact CB-CD1 4.31Å; D158-L198 WeakPolarHBondContact OD1-CA 3.4Å; D158-L198 WeakPolarHBondContact OD1-CB 3.42Å; D158-L198 VanDerWaalsContact OD2-C 3.29Å; D158-K199 PolarHBondContact OD2-N 3.42Å
159	Y	44.4	Very low	44.2	Very low	84 Å²	84	58.9 Å²	58.9	33%	0.329	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-41.7	-173.9	-178.6	-98.4	0	0	0	109.4	E151 L154 S155 H156 T161 Y162 A163	E151-Y159 HydrophobicContact CG-CE2 4.39Å; L154-Y159 HydrophobicContact CD1-CD2 4.48Å; S155-Y159 WeakPolarHBondContact O-CA 3.47Å; S155-Y159 VanDerWaalsContact O-CB 3.23Å; S155-Y159 WeakPolarHBondContact O-CB 3.29Å; S155-Y159 PolarHBondContact O-N 2.83Å; H156-Y159 AromaticContact CE1-CD1 3.66Å; H156-Y159 PolarHBondContact O-N 3.02Å; Y159-T161 VanDerWaalsContact C-N 3.25Å; Y159-T161 PolarHBondContact O-N 3.07Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y159-A163 HydrophobicContact CE1-CB 4.42Å; Y159-A163 WeakPolarHBondContact O-CA 3.27Å; Y159-A163 WeakPolarHBondContact O-CB 3.42Å; Y159-A163 PolarHBondContact O-N 2.91Å
160	N	41.5	Very low	43.3	Very low	42 Å²	42	60.6 Å²	60.6	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-36.6	172.6	-63.5	17.6	0	0	0	110.9	H156 S164	H156-N160 PolarHBondContact ND1-OD1 2.76Å; H156-N160 VanDerWaalsContact O-CB 3.23Å; H156-N160 WeakPolarHBondContact O-CB 3.43Å; H156-N160 PolarHBondContact O-N 3.31Å; H156-N160 PolarHBondContact O-OD1 2.72Å; N160-S164 WeakPolarHBondContact O-CB 3.46Å; N160-S164 PolarHBondContact O-N 2.86Å; N160-S164 PolarHBondContact O-OG 2.9Å
161	T	41.6	Very low	42.5	Very low	53 Å²	53	65.1 Å²	65.1	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-72.4	-39.1	176.5	-57.7	0	0	0	0	112.3	E157 D158 Y159 F165 L198	E157-T161 PolarHBondContact O-N 2.97Å; E157-T161 PolarHBondContact O-OG1 3.25Å; D158-T161 CarbonylContact O-C 3.11Å; D158-T161 WeakPolarHBondContact O-CA 3.07Å; D158-T161 WeakPolarHBondContact O-CB 3.45Å; D158-T161 PolarHBondContact O-N 2.83Å; D158-T161 VanDerWaalsContact O-N 3.11Å; Y159-T161 VanDerWaalsContact C-N 3.25Å; Y159-T161 PolarHBondContact O-N 3.07Å; T161-F165 WeakPolarHBondContact O-CB 3.48Å; T161-F165 PolarHBondContact O-N 2.76Å; T161-L198 HydrophobicContact CG2-CD1 4.04Å; T161-L198 WeakPolarHBondContact OG1-CD1 3.38Å
162	Y	41.4	Very low	42.1	Very low	23 Å²	23	64.2 Å²	64.2	9%	0.09	32%	0.321	C	S	.	.	H	α-helix	trans	-73.1	-40.9	177.8	173.3	-91.6	0	0	0	112.2	L147 Y150 E151 L154 D158 Y159 F165 T166	L147-Y162 HydrophobicContact CD2-CE2 3.72Å; Y150-Y162 HydrophobicContact CD1-CD2 4.35Å; Y150-Y162 HydrophobicContact CD1-CE2 4.42Å; Y150-Y162 HydrophobicContact CE1-CD2 4.47Å; E151-Y162 HydrophobicContact CB-CE1 3.89Å; E151-Y162 HydrophobicContact CG-CD1 4.24Å; E151-Y162 HydrophobicContact CG-CE1 3.55Å; E151-Y162 WeakPolarHBondContact OE2-CE1 3.3Å; E151-Y162 PolarHBondContact OE2-OH 2.87Å; L154-Y162 HydrophobicContact CD1-CD1 3.95Å; L154-Y162 HydrophobicContact CD1-CD2 3.99Å; L154-Y162 HydrophobicContact CD1-CG 3.52Å; D158-Y162 VanDerWaalsContact O-CB 3.27Å; D158-Y162 WeakPolarHBondContact O-CB 3.22Å; D158-Y162 PolarHBondContact O-N 3.37Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y162-F165 PolarHBondContact O-N 2.94Å; Y162-T166 HydrophobicContact CE1-CG2 4.31Å; Y162-T166 HydrophobicContact CE2-CG2 4.4Å; Y162-T166 WeakPolarHBondContact O-CB 3.2Å; Y162-T166 WeakPolarHBondContact O-CG2 3.23Å; Y162-T166 PolarHBondContact O-N 3.42Å; Y162-T166 PolarHBondContact O-OG1 3.22Å
163	A	39.9	Very low	41.3	Very low	21 Å²	21	68 Å²	68	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-57.4	172.1	0	0	0	0	0	108.5	Y159 F165 T166 Y167	Y159-A163 HydrophobicContact CE1-CB 4.42Å; Y159-A163 WeakPolarHBondContact O-CA 3.27Å; Y159-A163 WeakPolarHBondContact O-CB 3.42Å; Y159-A163 PolarHBondContact O-N 2.91Å; A163-F165 PolarHBondContact O-N 3.37Å; A163-F165 VanDerWaalsContact O-N 3.07Å; A163-T166 PolarHBondContact O-N 3.06Å; A163-T166 PolarHBondContact O-OG1 2.94Å; A163-Y167 WeakPolarHBondContact O-CA 3.4Å; A163-Y167 WeakPolarHBondContact O-CB 3.42Å; A163-Y167 PolarHBondContact O-N 3.21Å
164	S	37.5	Very low	40.6	Very low	82 Å²	82	68.3 Å²	68.3	57%	0.573	34%	0.337	S	S	*	.	H	α-helix	trans	-48	-44.3	173.8	-61	0	0	0	0	111.9	N160 E168	N160-S164 WeakPolarHBondContact O-CB 3.46Å; N160-S164 PolarHBondContact O-N 2.86Å; N160-S164 PolarHBondContact O-OG 2.9Å; S164-E168 PolarHBondContact O-N 2.72Å
165	F	40.9	Very low	40.5	Very low	58 Å²	58	76.2 Å²	76.2	25%	0.254	37%	0.374	S	S	.	.	H	α-helix	trans	-70.1	-34.7	179.8	-174.2	-94.9	0	0	0	114.8	T161 Y162 A163 L179 F182	T161-F165 WeakPolarHBondContact O-CB 3.48Å; T161-F165 PolarHBondContact O-N 2.76Å; Y162-F165 PolarHBondContact O-N 2.94Å; A163-F165 PolarHBondContact O-N 3.37Å; A163-F165 VanDerWaalsContact O-N 3.07Å; F165-L179 HydrophobicContact CD1-CD1 4.45Å; F165-L179 HydrophobicContact CE1-CD1 4.27Å; F165-F182 AromaticContact CD1-CD1 3.74Å; F165-F182 HydrophobicContact CD1-CD1 3.74Å; F165-F182 AromaticContact CD1-CE1 3.76Å; F165-F182 HydrophobicContact CD1-CE1 3.76Å; F165-F182 HydrophobicContact CD1-CG 4.36Å; F165-F182 HydrophobicContact CD1-CZ 4.45Å; F165-F182 HydrophobicContact CD2-CD1 4.18Å; F165-F182 HydrophobicContact CD2-CD2 4.34Å; F165-F182 AromaticContact CD2-CE1 3.65Å; F165-F182 HydrophobicContact CD2-CE1 3.65Å; F165-F182 AromaticContact CD2-CE2 3.87Å; F165-F182 HydrophobicContact CD2-CE2 3.87Å; F165-F182 HydrophobicContact CD2-CG 4.48Å; F165-F182 AromaticContact CD2-CZ 3.48Å; F165-F182 HydrophobicContact CD2-CZ 3.48Å; F165-F182 VanDerWaalsContact CD2-CZ 3.48Å; F165-F182 HydrophobicContact CE1-CB 3.74Å; F165-F182 AromaticContact CE1-CD1 3.22Å; F165-F182 HydrophobicContact CE1-CD1 3.22Å; F165-F182 HydrophobicContact CE1-CD2 4.1Å; F165-F182 AromaticContact CE1-CE1 3.67Å; F165-F182 HydrophobicContact CE1-CE1 3.67Å; F165-F182 AromaticContact CE1-CG 3.44Å; F165-F182 HydrophobicContact CE1-CG 3.44Å; F165-F182 VanDerWaalsContact CE1-CG 3.44Å; F165-F182 HydrophobicContact CE1-CZ 4.3Å; F165-F182 HydrophobicContact CE2-CB 4.47Å; F165-F182 AromaticContact CE2-CD1 3.74Å; F165-F182 HydrophobicContact CE2-CD1 3.74Å; F165-F182 AromaticContact CE2-CD2 3.35Å; F165-F182 HydrophobicContact CE2-CD2 3.35Å; F165-F182 AromaticContact CE2-CE1 3.58Å; F165-F182 HydrophobicContact CE2-CE1 3.58Å; F165-F182 AromaticContact CE2-CE2 3.22Å; F165-F182 HydrophobicContact CE2-CE2 3.22Å; F165-F182 AromaticContact CE2-CG 3.62Å; F165-F182 HydrophobicContact CE2-CG 3.62Å; F165-F182 AromaticContact CE2-CZ 3.32Å; F165-F182 HydrophobicContact CE2-CZ 3.32Å; F165-F182 HydrophobicContact CG-CD1 4.24Å; F165-F182 AromaticContact CG-CE1 3.81Å; F165-F182 HydrophobicContact CG-CE1 3.81Å; F165-F182 HydrophobicContact CG-CZ 4.12Å; F165-F182 HydrophobicContact CZ-CB 3.49Å; F165-F182 VanDerWaalsContact CZ-CB 3.49Å; F165-F182 AromaticContact CZ-CD1 3.27Å; F165-F182 HydrophobicContact CZ-CD1 3.27Å; F165-F182 AromaticContact CZ-CD2 3.24Å; F165-F182 HydrophobicContact CZ-CD2 3.24Å; F165-F182 AromaticContact CZ-CE1 3.63Å; F165-F182 HydrophobicContact CZ-CE1 3.63Å; F165-F182 AromaticContact CZ-CE2 3.64Å; F165-F182 HydrophobicContact CZ-CE2 3.64Å; F165-F182 AromaticContact CZ-CG 3.04Å; F165-F182 HydrophobicContact CZ-CG 3.04Å; F165-F182 AromaticContact CZ-CZ 3.81Å; F165-F182 HydrophobicContact CZ-CZ 3.81Å
166	T	41.4	Very low	40	Very low	28 Å²	28	83.6 Å²	83.6	17%	0.172	41%	0.406	C	S	.	.	H	α-helix	trans	-88.1	-26.5	179.1	50.3	0	0	0	0	112.8	Y162 A163 Y169 V170	Y162-T166 HydrophobicContact CE1-CG2 4.31Å; Y162-T166 HydrophobicContact CE2-CG2 4.4Å; Y162-T166 WeakPolarHBondContact O-CB 3.2Å; Y162-T166 WeakPolarHBondContact O-CG2 3.23Å; Y162-T166 PolarHBondContact O-N 3.42Å; Y162-T166 PolarHBondContact O-OG1 3.22Å; A163-T166 PolarHBondContact O-N 3.06Å; A163-T166 PolarHBondContact O-OG1 2.94Å; T166-Y169 WeakPolarHBondContact O-CA 3.46Å; T166-Y169 VanDerWaalsContact O-CB 3.32Å; T166-Y169 WeakPolarHBondContact O-CB 3.43Å; T166-Y169 PolarHBondContact O-N 2.91Å; T166-Y169 VanDerWaalsContact O-N 3.11Å; T166-V170 WeakPolarHBondContact O-CG2 3.47Å; T166-V170 PolarHBondContact O-N 2.88Å
167	Y	34.5	Very low	39.5	Very low	147 Å²	147	85.4 Å²	85.4	58%	0.576	42%	0.419	S	S	*	.	H	α-helix	trans	-74.4	-37.6	-175	-160.5	-102.6	0	0	0	112.2	A163 Y169 V170 L171	A163-Y167 WeakPolarHBondContact O-CA 3.4Å; A163-Y167 WeakPolarHBondContact O-CB 3.42Å; A163-Y167 PolarHBondContact O-N 3.21Å; Y167-Y169 PolarHBondContact O-N 2.93Å; Y167-V170 PolarHBondContact O-N 2.99Å; Y167-L171 HydrophobicContact CD1-CD1 3.64Å; Y167-L171 HydrophobicContact CD1-CG 4.03Å; Y167-L171 HydrophobicContact CE1-CD1 3.81Å; Y167-L171 HydrophobicContact CE1-CD2 4.26Å; Y167-L171 HydrophobicContact CE1-CG 4.09Å; Y167-L171 WeakPolarHBondContact O-CB 3.21Å; Y167-L171 VanDerWaalsContact O-CG 3.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.15Å; Y167-L171 PolarHBondContact O-N 3.35Å
168	E	33.6	Very low	39.3	Very low	147 Å²	147	82.1 Å²	82.1	69%	0.687	41%	0.407	S	S	*	.	H	α-helix	trans	-53.4	-36.6	165.7	-77.4	-162.2	146.3	0	0	111.6	S164 S172	S164-E168 PolarHBondContact O-N 2.72Å; E168-S172 PolarHBondContact O-N 3.49Å
169	Y	37	Very low	38.9	Very low	58 Å²	58	83.4 Å²	83.4	23%	0.227	41%	0.414	C	S	.	.	H	α-helix	trans	-76.1	-40	179.5	-141.1	-72.9	0	0	0	112.6	T166 Y167 S172 K174 P177 P178	T166-Y169 WeakPolarHBondContact O-CA 3.46Å; T166-Y169 VanDerWaalsContact O-CB 3.32Å; T166-Y169 WeakPolarHBondContact O-CB 3.43Å; T166-Y169 PolarHBondContact O-N 2.91Å; T166-Y169 VanDerWaalsContact O-N 3.11Å; Y167-Y169 PolarHBondContact O-N 2.93Å; Y169-S172 WeakPolarHBondContact O-CB 3.18Å; Y169-S172 PolarHBondContact O-N 3.45Å; Y169-S172 PolarHBondContact O-OG 3.49Å; Y169-K174 HydrophobicContact CD1-CB 4.09Å; Y169-K174 HydrophobicContact CE1-CB 3.62Å; Y169-K174 HydrophobicContact CE1-CD 3.63Å; Y169-K174 HydrophobicContact CE1-CG 4.26Å; Y169-P177 HydrophobicContact CD1-CB 4.29Å; Y169-P177 HydrophobicContact CG-CB 4.29Å; Y169-P178 HydrophobicContact CE1-CG 4.06Å; Y169-P178 HydrophobicContact CE2-CG 4.13Å; Y169-P178 WeakPolarHBondContact OH-CD 3.45Å; Y169-P178 WeakPolarHBondContact OH-CG 3.13Å
170	V	33.8	Very low	38.4	Very low	90 Å²	90	81.6 Å²	81.6	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.6	172.4	0	0	0	0	111.3	T166 Y167 S172 K173	T166-V170 WeakPolarHBondContact O-CG2 3.47Å; T166-V170 PolarHBondContact O-N 2.88Å; Y167-V170 PolarHBondContact O-N 2.99Å; V170-S172 PolarHBondContact O-N 3.17Å; V170-S172 VanDerWaalsContact O-N 3.16Å; V170-K173 PolarHBondContact O-N 2.79Å
171	L	31.8	Very low	38.3	Very low	118 Å²	118	81.6 Å²	81.6	62%	0.618	41%	0.412	S	S	*	.	H	α-helix	trans	-59.2	-25.4	175.9	-73.5	171	0	0	0	113.1	Y167 K173	Y167-L171 HydrophobicContact CD1-CD1 3.64Å; Y167-L171 HydrophobicContact CD1-CG 4.03Å; Y167-L171 HydrophobicContact CE1-CD1 3.81Å; Y167-L171 HydrophobicContact CE1-CD2 4.26Å; Y167-L171 HydrophobicContact CE1-CG 4.09Å; Y167-L171 WeakPolarHBondContact O-CB 3.21Å; Y167-L171 VanDerWaalsContact O-CG 3.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.15Å; Y167-L171 PolarHBondContact O-N 3.35Å; L171-K173 PolarHBondContact O-N 3.08Å; L171-K173 VanDerWaalsContact O-N 3.08Å
172	S	41	Very low	38	Very low	52 Å²	52	80.5 Å²	80.5	36%	0.364	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	7	178.6	80.6	0	0	0	0	115.2	E168 Y169 V170 K174	E168-S172 PolarHBondContact O-N 3.49Å; Y169-S172 WeakPolarHBondContact O-CB 3.18Å; Y169-S172 PolarHBondContact O-N 3.45Å; Y169-S172 PolarHBondContact O-OG 3.49Å; V170-S172 PolarHBondContact O-N 3.17Å; V170-S172 VanDerWaalsContact O-N 3.16Å; S172-K174 PolarHBondContact O-N 2.63Å; S172-K174 WeakPolarHBondContact OG-CD 3.22Å; S172-K174 WeakPolarHBondContact OG-CG 3.4Å
173	K	40	Very low	37.6	Very low	200 Å²	200	84.1 Å²	84.1	87%	0.87	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	8.1	-172.4	-65.3	-171.4	176	-176.2	0	115.4	V170 L171 Q175	V170-K173 PolarHBondContact O-N 2.79Å; L171-K173 PolarHBondContact O-N 3.08Å; L171-K173 VanDerWaalsContact O-N 3.08Å; K173-Q175 PolarHBondContact O-N 2.85Å
174	K	36.8	Very low	37.5	Very low	101 Å²	101	89.1 Å²	89.1	44%	0.439	44%	0.437	S	S	.	.			trans	-80.9	107.4	177.5	-67.4	175.2	-174.1	172.3	0	109.9	Y169 S172 K176	Y169-K174 HydrophobicContact CD1-CB 4.09Å; Y169-K174 HydrophobicContact CE1-CB 3.62Å; Y169-K174 HydrophobicContact CE1-CD 3.63Å; Y169-K174 HydrophobicContact CE1-CG 4.26Å; S172-K174 PolarHBondContact O-N 2.63Å; S172-K174 WeakPolarHBondContact OG-CD 3.22Å; S172-K174 WeakPolarHBondContact OG-CG 3.4Å; K174-K176 PolarHBondContact O-N 2.69Å
175	Q	42.5	Very low	37.4	Very low	178 Å²	178	91.9 Å²	91.9	83%	0.832	44%	0.441	S	S	*	.	S	Bend	trans	-52.5	-9.7	-172.6	-66.6	-175.1	-6.7	0	0	117.6	K173	K173-Q175 PolarHBondContact O-N 2.85Å
176	K	41.9	Very low	36.9	Very low	154 Å²	154	93.2 Å²	93.2	67%	0.67	45%	0.451	S	S	*	.	S	Bend	trans	-145.2	117.7	-176.2	-63.3	-176.5	175.9	68.4	0	109.2	K174 P178	K174-K176 PolarHBondContact O-N 2.69Å; K176-P178 WeakPolarHBondContact O-CD 3.45Å
177	P	37.9	Very low	36.8	Very low	53 Å²	53	97 Å²	97	34%	0.344	48%	0.476	S	S	.	.			trans	-73.2	112.5	173.5	28.8	-32.6	0	0	0	109.9	Y169 L179	Y169-P177 HydrophobicContact CD1-CB 4.29Å; Y169-P177 HydrophobicContact CG-CB 4.29Å; P177-L179 PolarHBondContact O-N 3.2Å; P177-L179 VanDerWaalsContact O-N 3.14Å
178	P	42.4	Very low	36.8	Very low	32 Å²	32	91.8 Å²	91.8	21%	0.208	46%	0.461	C	S	.	.			trans	-84.2	90.6	172.2	25.9	-11.2	0	0	0	107.3	Y169 K176 C180 D181 F182	Y169-P178 HydrophobicContact CE1-CG 4.06Å; Y169-P178 HydrophobicContact CE2-CG 4.13Å; Y169-P178 WeakPolarHBondContact OH-CD 3.45Å; Y169-P178 WeakPolarHBondContact OH-CG 3.13Å; K176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-C180 HydrophobicContact CB-CB 4.44Å; P178-C180 PolarHBondContact O-N 2.81Å; P178-D181 HydrophobicContact CB-CB 3.91Å; P178-D181 WeakPolarHBondContact CB-OD2 3.38Å; P178-D181 HydrophobicContact CG-CB 3.89Å; P178-D181 VanDerWaalsContact CG-OD2 3.22Å; P178-D181 WeakPolarHBondContact CG-OD2 3.5Å; P178-D181 WeakPolarHBondContact O-CA 3.18Å; P178-D181 WeakPolarHBondContact O-CB 3.07Å; P178-D181 PolarHBondContact O-N 3.13Å; P178-F182 PolarHBondContact O-N 3.2Å; P178-F182 VanDerWaalsContact O-N 3.13Å
179	L	35.7	Very low	37.1	Very low	31 Å²	31	89.5 Å²	89.5	16%	0.162	45%	0.453	C	S	.	.	H	α-helix	trans	-58.2	-25	161.3	-163.4	103.9	0	0	0	110.8	L147 F165 P177 D181 F182 I183	L147-L179 HydrophobicContact CD1-CB 3.62Å; L147-L179 HydrophobicContact CD1-CD1 4.36Å; L147-L179 HydrophobicContact CD1-CD2 3.96Å; L147-L179 HydrophobicContact CD1-CG 4.17Å; L147-L179 HydrophobicContact CD2-CD1 3.73Å; L147-L179 HydrophobicContact CD2-CD2 3.8Å; L147-L179 HydrophobicContact CD2-CG 4.19Å; L147-L179 HydrophobicContact CG-CD2 4.08Å; F165-L179 HydrophobicContact CD1-CD1 4.45Å; F165-L179 HydrophobicContact CE1-CD1 4.27Å; P177-L179 PolarHBondContact O-N 3.2Å; P177-L179 VanDerWaalsContact O-N 3.14Å; L179-D181 PolarHBondContact O-N 3.16Å; L179-F182 HydrophobicContact CD1-CD1 4.34Å; L179-F182 PolarHBondContact O-N 2.68Å; L179-F182 VanDerWaalsContact O-N 3.16Å; L179-I183 HydrophobicContact CD2-CD1 3.53Å; L179-I183 HydrophobicContact CD2-CG1 4.14Å; L179-I183 HydrophobicContact CG-CD1 4.3Å; L179-I183 HydrophobicContact CG-CG1 4.39Å; L179-I183 WeakPolarHBondContact O-CB 3.13Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.14Å
180	C	33.7	Very low	37	Very low	45 Å²	45	89.2 Å²	89.2	30%	0.304	46%	0.46	S	S	.	.	H	α-helix	trans	-50.6	-39	164.5	-47.7	0	0	0	0	112.4	P178 R184	P178-C180 HydrophobicContact CB-CB 4.44Å; P178-C180 PolarHBondContact O-N 2.81Å; C180-R184 WeakPolarHBondContact O-CB 3.36Å; C180-R184 VanDerWaalsContact O-CD 3.26Å; C180-R184 WeakPolarHBondContact O-CD 3.18Å; C180-R184 WeakPolarHBondContact O-CG 3.16Å; C180-R184 PolarHBondContact O-N 2.66Å; C180-R184 VanDerWaalsContact O-N 3.12Å
181	D	39	Very low	37.1	Very low	42 Å²	42	86.6 Å²	86.6	23%	0.225	44%	0.443	C	S	.	.	H	α-helix	trans	-84.1	-29.8	177.3	-66.2	-19.1	0	0	0	112.3	P178 L179 R184 H185	P178-D181 HydrophobicContact CB-CB 3.91Å; P178-D181 WeakPolarHBondContact CB-OD2 3.38Å; P178-D181 HydrophobicContact CG-CB 3.89Å; P178-D181 VanDerWaalsContact CG-OD2 3.22Å; P178-D181 WeakPolarHBondContact CG-OD2 3.5Å; P178-D181 WeakPolarHBondContact O-CA 3.18Å; P178-D181 WeakPolarHBondContact O-CB 3.07Å; P178-D181 PolarHBondContact O-N 3.13Å; L179-D181 PolarHBondContact O-N 3.16Å; D181-R184 WeakPolarHBondContact O-CB 3.15Å; D181-R184 PolarHBondContact O-N 2.78Å; D181-R184 WeakPolarHBondContact OD1-CD 3.27Å; D181-R184 IonicContact OD1-CZ 3.24Å; D181-R184 IonicContact OD1-NE 2.99Å; D181-R184 IonicContact OD1-NH1 2.69Å; D181-R184 PolarHBondContact OD1-NH1 3.32Å; D181-H185 PolarHBondContact O-N 3.29Å; D181-H185 VanDerWaalsContact O-N 3.07Å; D181-H185 PolarHBondContact O-ND1 3.32Å
182	F	34.1	Very low	37.6	Very low	31 Å²	31	82 Å²	82	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-48	171.1	-175.6	-140.7	0	0	0	111.9	F165 P178 L179 R184 H185 N186 L191	F165-F182 AromaticContact CD1-CD1 3.74Å; F165-F182 HydrophobicContact CD1-CD1 3.74Å; F165-F182 AromaticContact CD1-CE1 3.76Å; F165-F182 HydrophobicContact CD1-CE1 3.76Å; F165-F182 HydrophobicContact CD1-CG 4.36Å; F165-F182 HydrophobicContact CD1-CZ 4.45Å; F165-F182 HydrophobicContact CD2-CD1 4.18Å; F165-F182 HydrophobicContact CD2-CD2 4.34Å; F165-F182 AromaticContact CD2-CE1 3.65Å; F165-F182 HydrophobicContact CD2-CE1 3.65Å; F165-F182 AromaticContact CD2-CE2 3.87Å; F165-F182 HydrophobicContact CD2-CE2 3.87Å; F165-F182 HydrophobicContact CD2-CG 4.48Å; F165-F182 AromaticContact CD2-CZ 3.48Å; F165-F182 HydrophobicContact CD2-CZ 3.48Å; F165-F182 VanDerWaalsContact CD2-CZ 3.48Å; F165-F182 HydrophobicContact CE1-CB 3.74Å; F165-F182 AromaticContact CE1-CD1 3.22Å; F165-F182 HydrophobicContact CE1-CD1 3.22Å; F165-F182 HydrophobicContact CE1-CD2 4.1Å; F165-F182 AromaticContact CE1-CE1 3.67Å; F165-F182 HydrophobicContact CE1-CE1 3.67Å; F165-F182 AromaticContact CE1-CG 3.44Å; F165-F182 HydrophobicContact CE1-CG 3.44Å; F165-F182 VanDerWaalsContact CE1-CG 3.44Å; F165-F182 HydrophobicContact CE1-CZ 4.3Å; F165-F182 HydrophobicContact CE2-CB 4.47Å; F165-F182 AromaticContact CE2-CD1 3.74Å; F165-F182 HydrophobicContact CE2-CD1 3.74Å; F165-F182 AromaticContact CE2-CD2 3.35Å; F165-F182 HydrophobicContact CE2-CD2 3.35Å; F165-F182 AromaticContact CE2-CE1 3.58Å; F165-F182 HydrophobicContact CE2-CE1 3.58Å; F165-F182 AromaticContact CE2-CE2 3.22Å; F165-F182 HydrophobicContact CE2-CE2 3.22Å; F165-F182 AromaticContact CE2-CG 3.62Å; F165-F182 HydrophobicContact CE2-CG 3.62Å; F165-F182 AromaticContact CE2-CZ 3.32Å; F165-F182 HydrophobicContact CE2-CZ 3.32Å; F165-F182 HydrophobicContact CG-CD1 4.24Å; F165-F182 AromaticContact CG-CE1 3.81Å; F165-F182 HydrophobicContact CG-CE1 3.81Å; F165-F182 HydrophobicContact CG-CZ 4.12Å; F165-F182 HydrophobicContact CZ-CB 3.49Å; F165-F182 VanDerWaalsContact CZ-CB 3.49Å; F165-F182 AromaticContact CZ-CD1 3.27Å; F165-F182 HydrophobicContact CZ-CD1 3.27Å; F165-F182 AromaticContact CZ-CD2 3.24Å; F165-F182 HydrophobicContact CZ-CD2 3.24Å; F165-F182 AromaticContact CZ-CE1 3.63Å; F165-F182 HydrophobicContact CZ-CE1 3.63Å; F165-F182 AromaticContact CZ-CE2 3.64Å; F165-F182 HydrophobicContact CZ-CE2 3.64Å; F165-F182 AromaticContact CZ-CG 3.04Å; F165-F182 HydrophobicContact CZ-CG 3.04Å; F165-F182 AromaticContact CZ-CZ 3.81Å; F165-F182 HydrophobicContact CZ-CZ 3.81Å; P178-F182 PolarHBondContact O-N 3.2Å; P178-F182 VanDerWaalsContact O-N 3.13Å; L179-F182 HydrophobicContact CD1-CD1 4.34Å; L179-F182 PolarHBondContact O-N 2.68Å; L179-F182 VanDerWaalsContact O-N 3.16Å; F182-R184 VanDerWaalsContact C-N 3.27Å; F182-R184 PolarHBondContact O-N 2.74Å; F182-H185 PolarHBondContact O-N 3.11Å; F182-H185 VanDerWaalsContact O-N 3.13Å; F182-N186 HydrophobicContact CD2-CB 4.08Å; F182-N186 HydrophobicContact CE2-CB 3.76Å; F182-N186 PolarHBondContact O-N 3.23Å; F182-L191 HydrophobicContact CD1-CD2 4.11Å; F182-L191 HydrophobicContact CE1-CD1 3.78Å; F182-L191 HydrophobicContact CE1-CD2 3.37Å; F182-L191 HydrophobicContact CE1-CG 4.17Å; F182-L191 HydrophobicContact CE2-CD2 4.46Å; F182-L191 HydrophobicContact CZ-CD1 3.58Å; F182-L191 HydrophobicContact CZ-CD2 3.58Å; F182-L191 HydrophobicContact CZ-CG 4.23Å
183	I	34.9	Very low	37.6	Very low	99 Å²	99	81.2 Å²	81.2	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-30.7	175.8	-66.7	179.3	0	0	0	111.4	L179	L179-I183 HydrophobicContact CD2-CD1 3.53Å; L179-I183 HydrophobicContact CD2-CG1 4.14Å; L179-I183 HydrophobicContact CG-CD1 4.3Å; L179-I183 HydrophobicContact CG-CG1 4.39Å; L179-I183 WeakPolarHBondContact O-CB 3.13Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.14Å
184	R	36.6	Very low	37.4	Very low	125 Å²	125	75.5 Å²	75.5	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-39.5	170.6	-84.2	159.9	136.3	166.8	-6.2	113.2	C180 D181 F182	C180-R184 WeakPolarHBondContact O-CB 3.36Å; C180-R184 VanDerWaalsContact O-CD 3.26Å; C180-R184 WeakPolarHBondContact O-CD 3.18Å; C180-R184 WeakPolarHBondContact O-CG 3.16Å; C180-R184 PolarHBondContact O-N 2.66Å; C180-R184 VanDerWaalsContact O-N 3.12Å; D181-R184 WeakPolarHBondContact O-CB 3.15Å; D181-R184 PolarHBondContact O-N 2.78Å; D181-R184 WeakPolarHBondContact OD1-CD 3.27Å; D181-R184 IonicContact OD1-CZ 3.24Å; D181-R184 IonicContact OD1-NE 2.99Å; D181-R184 IonicContact OD1-NH1 2.69Å; D181-R184 PolarHBondContact OD1-NH1 3.32Å; F182-R184 VanDerWaalsContact C-N 3.27Å; F182-R184 PolarHBondContact O-N 2.74Å
185	H	36.3	Very low	37.5	Very low	140 Å²	140	72.6 Å²	72.6	65%	0.648	38%	0.376	S	S	*	.	H	α-helix	trans	-102.5	-22	-167.9	-64.6	100.8	0	0	0	114.5	D181 F182 P187	D181-H185 PolarHBondContact O-N 3.29Å; D181-H185 VanDerWaalsContact O-N 3.07Å; D181-H185 PolarHBondContact O-ND1 3.32Å; F182-H185 PolarHBondContact O-N 3.11Å; F182-H185 VanDerWaalsContact O-N 3.13Å; H185-P187 VanDerWaalsContact C-CD 3.44Å
186	N	30.8	Very low	37.4	Very low	86 Å²	86	64.3 Å²	64.3	46%	0.46	34%	0.337	S	S	.	.			trans	-127.5	65.3	178.5	-76.2	-71.6	0	0	0	113.1	F182 S188	F182-N186 HydrophobicContact CD2-CB 4.08Å; F182-N186 HydrophobicContact CE2-CB 3.76Å; F182-N186 PolarHBondContact O-N 3.23Å; N186-S188 PolarHBondContact O-N 2.66Å
187	P	37.6	Very low	37.2	Very low	107 Å²	107	59.5 Å²	59.5	70%	0.695	32%	0.317	S	S	*	.			trans	-76	47.8	172.7	36.4	-38.4	0	0	0	111.3	H185	H185-P187 VanDerWaalsContact C-CD 3.44Å
188	S	35.9	Very low	37.1	Very low	39 Å²	39	57.6 Å²	57.6	27%	0.273	30%	0.304	S	S	.	.			trans	-81.5	144.2	-172.9	74.2	0	0	0	0	111.5	N186 S190 L191	N186-S188 PolarHBondContact O-N 2.66Å; S188-S190 PolarHBondContact O-N 2.8Å; S188-S190 WeakPolarHBondContact OG-CA 3.28Å; S188-S190 WeakPolarHBondContact OG-CB 3.06Å; S188-S190 PolarHBondContact OG-N 2.94Å; S188-S190 VanDerWaalsContact OG-N 3.13Å; S188-L191 PolarHBondContact O-N 3.24Å; S188-L191 PolarHBondContact OG-N 2.84Å
189	N	38.3	Very low	36.9	Very low	98 Å²	98	58.2 Å²	58.2	52%	0.524	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	20	156.6	-90.7	-23.8	0	0	0	112.4	Y71 L72	Y71-N189 CarbonylContact C-O 3.52Å; Y71-N189 PolarHBondContact N-O 3.35Å; Y71-N189 CarbonylContact O-C 3.58Å; Y71-N189 VanDerWaalsContact O-O 3.07Å; L72-N189 HydrophobicContact CD2-CB 4.38Å; L72-N189 HydrophobicContact CG-CB 3.83Å; L72-N189 WeakPolarHBondContact CG-OD1 3Å; L72-N189 PolarHBondContact N-O 3.08Å
190	S	34.9	Very low	36.9	Very low	53 Å²	53	57.6 Å²	57.6	37%	0.371	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	16.4	179.8	-57.2	0	0	0	0	113.6	Y70 Y71 S188	Y70-S190 VanDerWaalsContact CD1-OG 3.32Å; Y70-S190 WeakPolarHBondContact CD1-OG 3.34Å; Y71-S190 WeakPolarHBondContact CB-O 3.47Å; Y71-S190 VanDerWaalsContact N-CA 3.29Å; Y71-S190 CarbonylContact O-C 3.4Å; Y71-S190 VanDerWaalsContact O-C 3.31Å; Y71-S190 WeakPolarHBondContact O-CA 3.48Å; Y71-S190 PolarHBondContact O-N 3.01Å; S188-S190 PolarHBondContact O-N 2.8Å; S188-S190 WeakPolarHBondContact OG-CA 3.28Å; S188-S190 WeakPolarHBondContact OG-CB 3.06Å; S188-S190 PolarHBondContact OG-N 2.94Å; S188-S190 VanDerWaalsContact OG-N 3.13Å
191	L	36.2	Very low	37	Very low	34 Å²	34	60 Å²	60	18%	0.178	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-33.1	175.8	-165.9	66.8	0	0	0	119.5	Y71 F182 S188 M195	Y71-L191 VanDerWaalsContact CB-CA 3.43Å; Y71-L191 WeakPolarHBondContact CD1-O 3.22Å; Y71-L191 CarbonylContact O-C 2.94Å; Y71-L191 WeakPolarHBondContact O-CA 3.18Å; Y71-L191 PolarHBondContact O-N 3.48Å; F182-L191 HydrophobicContact CD1-CD2 4.11Å; F182-L191 HydrophobicContact CE1-CD1 3.78Å; F182-L191 HydrophobicContact CE1-CD2 3.37Å; F182-L191 HydrophobicContact CE1-CG 4.17Å; F182-L191 HydrophobicContact CE2-CD2 4.46Å; F182-L191 HydrophobicContact CZ-CD1 3.58Å; F182-L191 HydrophobicContact CZ-CD2 3.58Å; F182-L191 HydrophobicContact CZ-CG 4.23Å; S188-L191 PolarHBondContact O-N 3.24Å; S188-L191 PolarHBondContact OG-N 2.84Å; L191-M195 PolarHBondContact O-N 3.37Å
192	I	42	Very low	37.1	Very low	21 Å²	21	61.2 Å²	61.2	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-96.2	-4.7	170.9	-74.1	59.5	0	0	0	124.8	Y71 L72 I73 M195 K196	Y71-I192 VanDerWaalsContact CB-N 3.3Å; Y71-I192 WeakPolarHBondContact CD1-O 3.11Å; Y71-I192 PolarHBondContact O-N 2.88Å; L72-I192 CarbonylContact O-C 2.89Å; L72-I192 WeakPolarHBondContact O-CA 3.33Å; L72-I192 WeakPolarHBondContact O-CB 3.49Å; L72-I192 VanDerWaalsContact O-CG2 3.25Å; L72-I192 WeakPolarHBondContact O-CG2 3.41Å; I73-I192 HydrophobicContact CB-CB 4.26Å; I73-I192 HydrophobicContact CD1-CD1 4.01Å; I73-I192 HydrophobicContact CD1-CG1 4.41Å; I73-I192 HydrophobicContact CG1-CB 3.58Å; I73-I192 HydrophobicContact CG1-CD1 3.59Å; I73-I192 HydrophobicContact CG1-CG1 3.59Å; I73-I192 HydrophobicContact CG1-CG2 4.25Å; I192-M195 HydrophobicContact CD1-CB 4.32Å; I192-M195 HydrophobicContact CD1-CG 4.16Å; I192-M195 HydrophobicContact CD1-SD 3.44Å; I192-M195 WeakPolarHBondContact CD1-SD 3.3Å; I192-M195 HydrophobicContact CG1-CB 3.99Å; I192-M195 HydrophobicContact CG1-CG 4.32Å; I192-M195 HydrophobicContact CG1-SD 3.71Å; I192-K196 HydrophobicContact CG2-CD 4.13Å; I192-K196 HydrophobicContact CG2-CG 3.99Å; I192-K196 WeakPolarHBondContact O-CA 3.33Å; I192-K196 WeakPolarHBondContact O-CB 3.1Å; I192-K196 WeakPolarHBondContact O-CD 2.99Å; I192-K196 WeakPolarHBondContact O-CG 3.49Å; I192-K196 PolarHBondContact O-N 2.81Å
193	H	42	Very low	37.3	Very low	37 Å²	37	60.6 Å²	60.6	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-89.2	-26	160.2	167.5	107.5	0	0	0	128.9	S62 Y70 Y71 L72 K196 Q197	S62-H193 PolarHBondContact O-ND1 2.63Å; Y70-H193 WeakPolarHBondContact O-CB 3.44Å; Y70-H193 PolarHBondContact O-CD2 2.81Å; Y71-H193 HydrophobicContact CD1-CB 4.41Å; Y71-H193 VanDerWaalsContact CD2-C 3.48Å; Y71-H193 WeakPolarHBondContact CE1-O 3.1Å; Y71-H193 HydrophobicContact CG-CB 4.35Å; L72-H193 PolarHBondContact O-N 3.25Å; H193-K196 HydrophobicContact CB-CD 4.02Å; H193-Q197 PolarHBondContact NE2-NE2 2.78Å; H193-Q197 VanDerWaalsContact NE2-NE2 3.15Å; H193-Q197 VanDerWaalsContact O-CB 3.32Å; H193-Q197 WeakPolarHBondContact O-CB 3.42Å; H193-Q197 PolarHBondContact O-N 3.04Å; H193-Q197 VanDerWaalsContact O-N 3.14Å; H193-Q197 PolarHBondContact O-NE2 2.73Å
194	I	36.1	Very low	37.5	Very low	80 Å²	80	59.7 Å²	59.7	41%	0.41	32%	0.321	S	S	.	.	H	α-helix		38.6	-63.3	53.8	71.3	153.6	0	0	0	123.4	Y71 L198	Y71-I194 HydrophobicContact CD1-CB 3.9Å; Y71-I194 HydrophobicContact CD2-CB 2.91Å; Y71-I194 HydrophobicContact CD2-CD1 4.39Å; Y71-I194 HydrophobicContact CD2-CG1 2.87Å; Y71-I194 HydrophobicContact CD2-CG2 3.9Å; Y71-I194 HydrophobicContact CE1-CB 3.73Å; Y71-I194 HydrophobicContact CE1-CG2 4.23Å; Y71-I194 WeakPolarHBondContact CE1-O 3.36Å; Y71-I194 HydrophobicContact CE2-CB 2.65Å; Y71-I194 HydrophobicContact CE2-CG1 3.16Å; Y71-I194 HydrophobicContact CE2-CG2 2.93Å; Y71-I194 HydrophobicContact CG-CB 3.56Å; Y71-I194 HydrophobicContact CG-CG1 3.81Å; Y71-I194 VanDerWaalsContact CZ-O 3.29Å; Y71-I194 WeakPolarHBondContact OH-CA 3.25Å; Y71-I194 VanDerWaalsContact OH-CG2 3.25Å; Y71-I194 WeakPolarHBondContact OH-CG2 3.39Å; Y71-I194 PolarHBondContact OH-N 3.07Å; I194-L198 HydrophobicContact CG2-CD1 4.05Å; I194-L198 HydrophobicContact CG2-CG 4.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.03Å; I194-L198 WeakPolarHBondContact O-CG 3.41Å
195	M	38.2	Very low	37.9	Very low	39 Å²	39	60.9 Å²	60.9	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-73.4	-44.5	137.2	-68.8	-174.6	155.3	0	0	122.9	Y71 Y150 L191 I192 L198 K199	Y71-M195 HydrophobicContact CD1-CB 4.36Å; Y71-M195 VanDerWaalsContact CE1-CA 3.49Å; Y150-M195 HydrophobicContact CE1-CE 3.78Å; Y150-M195 HydrophobicContact CE1-SD 4.4Å; Y150-M195 HydrophobicContact CE2-CE 4.44Å; Y150-M195 HydrophobicContact CE2-SD 4.28Å; Y150-M195 VanDerWaalsContact OH-CB 3.29Å; Y150-M195 WeakPolarHBondContact OH-CB 2.98Å; Y150-M195 VanDerWaalsContact OH-CG 3.24Å; Y150-M195 WeakPolarHBondContact OH-CG 3.08Å; Y150-M195 PolarHBondContact OH-SD 2.93Å; L191-M195 PolarHBondContact O-N 3.37Å; I192-M195 HydrophobicContact CD1-CB 4.32Å; I192-M195 HydrophobicContact CD1-CG 4.16Å; I192-M195 HydrophobicContact CD1-SD 3.44Å; I192-M195 WeakPolarHBondContact CD1-SD 3.3Å; I192-M195 HydrophobicContact CG1-CB 3.99Å; I192-M195 HydrophobicContact CG1-CG 4.32Å; I192-M195 HydrophobicContact CG1-SD 3.71Å; M195-L198 WeakPolarHBondContact O-CB 3.26Å; M195-K199 WeakPolarHBondContact O-CG 3.35Å; M195-K199 PolarHBondContact O-N 3.06Å; M195-K199 VanDerWaalsContact O-N 3.14Å
196	K	40.3	Very low	38.2	Very low	4 Å²	4	57.6 Å²	57.6	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-54.3	-178.3	-79.5	152.9	179.8	155.5	0	115.2	Q60 K61 S62 L72 I192 H193 L198 K199	Q60-K196 WeakPolarHBondContact O-CE 3.45Å; Q60-K196 WeakPolarHBondContact O-CG 3.13Å; K61-K196 HydrophobicContact CB-CD 4.48Å; K61-K196 HydrophobicContact CB-CG 4.42Å; K61-K196 HydrophobicContact CD-CB 4.4Å; K61-K196 WeakPolarHBondContact CE-O 3.39Å; K61-K196 HydrophobicContact CG-CB 4.07Å; K61-K196 HydrophobicContact CG-CG 4.19Å; K61-K196 PolarHBondContact NZ-O 2.91Å; S62-K196 PolarHBondContact OG-NZ 3.02Å; L72-K196 PolarHBondContact O-NZ 3.25Å; I192-K196 HydrophobicContact CG2-CD 4.13Å; I192-K196 HydrophobicContact CG2-CG 3.99Å; I192-K196 WeakPolarHBondContact O-CA 3.33Å; I192-K196 WeakPolarHBondContact O-CB 3.1Å; I192-K196 WeakPolarHBondContact O-CD 2.99Å; I192-K196 WeakPolarHBondContact O-CG 3.49Å; I192-K196 PolarHBondContact O-N 2.81Å; H193-K196 HydrophobicContact CB-CD 4.02Å; K196-L198 PolarHBondContact O-N 3.48Å; K196-K199 WeakPolarHBondContact O-CA 3.37Å; K196-K199 WeakPolarHBondContact O-CB 2.9Å; K196-K199 PolarHBondContact O-N 3.33Å
197	Q	39.1	Very low	38.7	Very low	54 Å²	54	54.1 Å²	54.1	25%	0.252	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-49	-176.7	-118.7	171.5	80.6	0	0	109	K61 K69 Y71 H193 S200	K61-Q197 PolarHBondContact NZ-O 3.48Å; K69-Q197 VanDerWaalsContact CE-OE1 3.24Å; Y71-Q197 HydrophobicContact CE1-CB 3.78Å; Y71-Q197 VanDerWaalsContact CZ-CB 3.45Å; Y71-Q197 WeakPolarHBondContact OH-CB 3.35Å; H193-Q197 PolarHBondContact NE2-NE2 2.78Å; H193-Q197 VanDerWaalsContact NE2-NE2 3.15Å; H193-Q197 VanDerWaalsContact O-CB 3.32Å; H193-Q197 WeakPolarHBondContact O-CB 3.42Å; H193-Q197 PolarHBondContact O-N 3.04Å; H193-Q197 VanDerWaalsContact O-N 3.14Å; H193-Q197 PolarHBondContact O-NE2 2.73Å; Q197-S200 PolarHBondContact O-N 3.34Å
198	L	35.4	Very low	38.9	Very low	13 Å²	13	55.5 Å²	55.5	7%	0.068	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45	-56.3	167	-60.5	-159.7	0	0	0	113.5	Y71 S155 E157 D158 T161 I194 M195 K196 S200 I203	Y71-L198 HydrophobicContact CE1-CG 4.29Å; Y71-L198 WeakPolarHBondContact OH-CG 3.47Å; S155-L198 PolarHBondContact OG-O 2.8Å; E157-L198 HydrophobicContact CB-CD2 3.51Å; E157-L198 WeakPolarHBondContact O-CD1 3.33Å; D158-L198 HydrophobicContact CB-CB 3.87Å; D158-L198 HydrophobicContact CB-CD1 4.31Å; D158-L198 WeakPolarHBondContact OD1-CA 3.4Å; D158-L198 WeakPolarHBondContact OD1-CB 3.42Å; D158-L198 VanDerWaalsContact OD2-C 3.29Å; T161-L198 HydrophobicContact CG2-CD1 4.04Å; T161-L198 WeakPolarHBondContact OG1-CD1 3.38Å; I194-L198 HydrophobicContact CG2-CD1 4.05Å; I194-L198 HydrophobicContact CG2-CG 4.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.03Å; I194-L198 WeakPolarHBondContact O-CG 3.41Å; M195-L198 WeakPolarHBondContact O-CB 3.26Å; K196-L198 PolarHBondContact O-N 3.48Å; L198-S200 PolarHBondContact O-N 3.12Å; L198-I203 WeakPolarHBondContact O-CD1 3.23Å
199	K	37.1	Very low	39.3	Very low	44 Å²	44	59.7 Å²	59.7	19%	0.191	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	25.7	171.5	-72.9	179.5	173.1	-67.9	0	117.2	I59 K61 Y150 D158 M195 K196	I59-K199 HydrophobicContact CG2-CD 4.2Å; K61-K199 WeakPolarHBondContact CE-O 3.37Å; Y150-K199 WeakPolarHBondContact OH-CE 3.42Å; D158-K199 PolarHBondContact OD2-N 3.42Å; M195-K199 WeakPolarHBondContact O-CG 3.35Å; M195-K199 PolarHBondContact O-N 3.06Å; M195-K199 VanDerWaalsContact O-N 3.14Å; K196-K199 WeakPolarHBondContact O-CA 3.37Å; K196-K199 WeakPolarHBondContact O-CB 2.9Å; K196-K199 PolarHBondContact O-N 3.33Å
200	S	35.5	Very low	39.4	Very low	18 Å²	18	57.5 Å²	57.5	13%	0.126	30%	0.295	C	S	.	.			trans	-69	148.8	171.8	84.5	0	0	0	0	111.8	K61 Q197 L198 S202 I203 K204	K61-S200 VanDerWaalsContact NZ-CA 3.29Å; K61-S200 VanDerWaalsContact NZ-N 3.14Å; Q197-S200 PolarHBondContact O-N 3.34Å; L198-S200 PolarHBondContact O-N 3.12Å; S200-S202 VanDerWaalsContact C-N 3.27Å; S200-S202 PolarHBondContact O-N 3.34Å; S200-S202 PolarHBondContact OG-OG 2.69Å; S200-S202 VanDerWaalsContact OG-OG 3.08Å; S200-I203 WeakPolarHBondContact OG-CD1 3.49Å; S200-I203 WeakPolarHBondContact OG-CG1 3.4Å; S200-I203 PolarHBondContact OG-N 2.86Å; S200-K204 VanDerWaalsContact O-CB 3.23Å; S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 3.38Å
201	S	36.6	Very low	39.8	Very low	95 Å²	95	58.4 Å²	58.4	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-68.9	-24	174.4	52.8	0	0	0	0	113.1	K205	S201-K205 VanDerWaalsContact O-CB 3.3Å; S201-K205 WeakPolarHBondContact O-CB 3.26Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 3.43Å; S201-K205 VanDerWaalsContact O-N 3.15Å
202	S	41.3	Very low	40	Very low	69 Å²	69	61.2 Å²	61.2	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-76.1	-43.9	177.7	52.4	0	0	0	0	112.1	S200 Q206	S200-S202 VanDerWaalsContact C-N 3.27Å; S200-S202 PolarHBondContact O-N 3.34Å; S200-S202 PolarHBondContact OG-OG 2.69Å; S200-S202 VanDerWaalsContact OG-OG 3.08Å; S202-Q206 WeakPolarHBondContact O-CG 3.43Å; S202-Q206 PolarHBondContact O-N 3.4Å; S202-Q206 VanDerWaalsContact O-N 3.15Å; S202-Q206 PolarHBondContact O-NE2 3.45Å
203	I	39.5	Very low	39.9	Very low	18 Å²	18	63.5 Å²	63.5	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-71.6	-46.3	176.7	-42.6	150.9	0	0	0	108.8	S155 E157 L198 S200 K205 Q206 L207	S155-I203 VanDerWaalsContact OG-CB 3.24Å; S155-I203 WeakPolarHBondContact OG-CB 3.22Å; S155-I203 WeakPolarHBondContact OG-CG2 3.42Å; E157-I203 HydrophobicContact CB-CG2 4.42Å; E157-I203 HydrophobicContact CG-CG2 3.91Å; E157-I203 WeakPolarHBondContact OE1-CG1 3.37Å; E157-I203 VanDerWaalsContact OE1-CG2 3.26Å; E157-I203 WeakPolarHBondContact OE1-CG2 3.36Å; E157-I203 WeakPolarHBondContact OE2-CD1 3.5Å; L198-I203 WeakPolarHBondContact O-CD1 3.23Å; S200-I203 WeakPolarHBondContact OG-CD1 3.49Å; S200-I203 WeakPolarHBondContact OG-CG1 3.4Å; S200-I203 PolarHBondContact OG-N 2.86Å; I203-K205 PolarHBondContact O-N 3.21Å; I203-K205 VanDerWaalsContact O-N 3.14Å; I203-Q206 CarbonylContact O-C 3.13Å; I203-Q206 WeakPolarHBondContact O-CA 3.44Å; I203-Q206 WeakPolarHBondContact O-CB 3.24Å; I203-Q206 PolarHBondContact O-N 3.11Å; I203-L207 HydrophobicContact CG2-CD1 3.78Å; I203-L207 WeakPolarHBondContact O-CD1 3.07Å; I203-L207 PolarHBondContact O-N 2.81Å
204	K	37.9	Very low	39.9	Very low	80 Å²	80	63.7 Å²	63.7	35%	0.348	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-34.1	178.9	-176.7	174.7	179.2	163.1	0	113.4	Q153 S200 L207 H208	Q153-K204 VanDerWaalsContact CA-NZ 3.31Å; Q153-K204 VanDerWaalsContact O-CD 3.23Å; Q153-K204 WeakPolarHBondContact O-CD 3.13Å; Q153-K204 WeakPolarHBondContact O-CE 3.42Å; Q153-K204 PolarHBondContact O-NZ 2.78Å; S200-K204 VanDerWaalsContact O-CB 3.23Å; S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 3.38Å; K204-L207 PolarHBondContact O-N 3.35Å; K204-H208 PolarHBondContact O-N 2.77Å; K204-H208 VanDerWaalsContact O-N 3.15Å
205	K	44.8	Very low	40.2	Very low	150 Å²	150	64.6 Å²	64.6	65%	0.652	34%	0.337	S	S	*	.	H	α-helix	trans	-67.8	-46.7	170.1	-82.5	-177.4	173.8	-169.2	0	112.9	S201 I203 L207 H208 Q209	S201-K205 VanDerWaalsContact O-CB 3.3Å; S201-K205 WeakPolarHBondContact O-CB 3.26Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 3.43Å; S201-K205 VanDerWaalsContact O-N 3.15Å; I203-K205 PolarHBondContact O-N 3.21Å; I203-K205 VanDerWaalsContact O-N 3.14Å; K205-L207 PolarHBondContact O-N 2.99Å; K205-L207 VanDerWaalsContact O-N 3.11Å; K205-H208 PolarHBondContact O-N 3.2Å; K205-Q209 WeakPolarHBondContact O-CG 3.44Å; K205-Q209 PolarHBondContact O-N 2.77Å
206	Q	42.1	Very low	40.3	Very low	71 Å²	71	69.3 Å²	69.3	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-54.7	-29.7	174.6	-76.7	169.3	85	0	0	111.6	S202 I203 M210	S202-Q206 WeakPolarHBondContact O-CG 3.43Å; S202-Q206 PolarHBondContact O-N 3.4Å; S202-Q206 VanDerWaalsContact O-N 3.15Å; S202-Q206 PolarHBondContact O-NE2 3.45Å; I203-Q206 CarbonylContact O-C 3.13Å; I203-Q206 WeakPolarHBondContact O-CA 3.44Å; I203-Q206 WeakPolarHBondContact O-CB 3.24Å; I203-Q206 PolarHBondContact O-N 3.11Å; Q206-M210 WeakPolarHBondContact O-CB 2.91Å; Q206-M210 PolarHBondContact O-N 2.9Å
207	L	42.9	Very low	40.2	Very low	12 Å²	12	70.3 Å²	70.3	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-81.2	-41.7	179.7	-98.2	83.7	0	0	0	115.1	S155 H156 I203 K204 K205 Q209 M210 N211	S155-L207 VanDerWaalsContact C-CD1 3.48Å; S155-L207 VanDerWaalsContact CA-CD1 3.48Å; S155-L207 VanDerWaalsContact CA-CD2 3.48Å; S155-L207 WeakPolarHBondContact O-CD2 3.16Å; H156-L207 VanDerWaalsContact CA-CD2 3.45Å; H156-L207 HydrophobicContact CB-CD1 3.56Å; H156-L207 HydrophobicContact CB-CD2 3.59Å; H156-L207 HydrophobicContact CB-CG 3.55Å; H156-L207 WeakPolarHBondContact CD2-CD2 3.41Å; H156-L207 VanDerWaalsContact N-CG 3.25Å; I203-L207 HydrophobicContact CG2-CD1 3.78Å; I203-L207 WeakPolarHBondContact O-CD1 3.07Å; I203-L207 PolarHBondContact O-N 2.81Å; K204-L207 PolarHBondContact O-N 3.35Å; K205-L207 PolarHBondContact O-N 2.99Å; K205-L207 VanDerWaalsContact O-N 3.11Å; L207-Q209 PolarHBondContact O-N 3.43Å; L207-M210 PolarHBondContact O-N 2.76Å; L207-M210 VanDerWaalsContact O-N 3.08Å; L207-N211 WeakPolarHBondContact O-CB 3.42Å; L207-N211 PolarHBondContact O-N 3.49Å; L207-N211 PolarHBondContact O-ND2 3.01Å
208	H	41.7	Very low	40.4	Very low	137 Å²	137	70.8 Å²	70.8	63%	0.634	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-38.7	174.4	-161.3	49.9	0	0	0	108.3	K204 K205 I212	K204-H208 PolarHBondContact O-N 2.77Å; K204-H208 VanDerWaalsContact O-N 3.15Å; K205-H208 PolarHBondContact O-N 3.2Å; H208-I212 WeakPolarHBondContact O-CB 3.47Å; H208-I212 VanDerWaalsContact O-CD1 3.28Å; H208-I212 WeakPolarHBondContact O-CD1 3.06Å; H208-I212 WeakPolarHBondContact O-CG1 2.77Å; H208-I212 PolarHBondContact O-N 2.88Å
209	Q	43.6	Very low	40.6	Very low	126 Å²	126	80.1 Å²	80.1	59%	0.589	40%	0.4	S	S	*	.	H	α-helix	trans	-63	-44.6	168.5	-67.4	177.1	-56.3	0	0	113.5	K205 L207 I212 S213	K205-Q209 WeakPolarHBondContact O-CG 3.44Å; K205-Q209 PolarHBondContact O-N 2.77Å; L207-Q209 PolarHBondContact O-N 3.43Å; Q209-I212 PolarHBondContact O-N 3.33Å; Q209-S213 WeakPolarHBondContact O-CB 3.24Å; Q209-S213 PolarHBondContact O-N 2.77Å; Q209-S213 PolarHBondContact O-OG 3.46Å
210	M	41.1	Very low	40.8	Very low	52 Å²	52	79.4 Å²	79.4	26%	0.256	40%	0.399	S	S	.	.	H	α-helix	trans	-66.5	-52.4	-178.4	-154.6	151.6	66.8	0	0	111.5	H156 Q206 L207 I212 S213 T214 E298	H156-M210 HydrophobicContact CB-CE 3.94Å; H156-M210 VanDerWaalsContact CD2-CE 3.43Å; H156-M210 WeakPolarHBondContact CD2-CE 3.3Å; Q206-M210 WeakPolarHBondContact O-CB 2.91Å; Q206-M210 PolarHBondContact O-N 2.9Å; L207-M210 PolarHBondContact O-N 2.76Å; L207-M210 VanDerWaalsContact O-N 3.08Å; M210-I212 VanDerWaalsContact C-N 3.34Å; M210-I212 PolarHBondContact O-N 3.32Å; M210-S213 CarbonylContact O-C 3.51Å; M210-S213 WeakPolarHBondContact O-CA 3.37Å; M210-S213 VanDerWaalsContact O-CB 3.3Å; M210-S213 WeakPolarHBondContact O-CB 3.26Å; M210-S213 PolarHBondContact O-N 2.71Å; M210-T214 PolarHBondContact O-N 2.76Å; M210-T214 PolarHBondContact O-OG1 3.48Å; M210-T214 VanDerWaalsContact O-OG1 3.06Å; M210-E298 HydrophobicContact CE-CB 3.95Å; M210-E298 HydrophobicContact CE-CG 3.71Å; M210-E298 WeakPolarHBondContact CE-OE1 3.31Å; M210-E298 HydrophobicContact CG-CG 4.32Å; M210-E298 WeakPolarHBondContact CG-OE1 3.13Å; M210-E298 HydrophobicContact SD-CB 4.44Å; M210-E298 HydrophobicContact SD-CG 3.91Å
211	N	43.3	Very low	41.2	Very low	73 Å²	73	81.7 Å²	81.7	39%	0.39	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-37.1	174.2	-85.8	-77.1	0	0	0	113.1	L207 S213 L215	L207-N211 WeakPolarHBondContact O-CB 3.42Å; L207-N211 PolarHBondContact O-N 3.49Å; L207-N211 PolarHBondContact O-ND2 3.01Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-L215 VanDerWaalsContact O-CB 3.27Å; N211-L215 WeakPolarHBondContact O-CB 3.25Å; N211-L215 VanDerWaalsContact O-CG 3.24Å; N211-L215 WeakPolarHBondContact O-CG 2.99Å; N211-L215 PolarHBondContact O-N 3.25Å
212	I	40.3	Very low	41.5	Very low	92 Å²	92	81.7 Å²	81.7	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-64.3	-38.1	171.4	-74.3	168.1	0	0	0	110.7	H208 Q209 M210 W216	H208-I212 WeakPolarHBondContact O-CB 3.47Å; H208-I212 VanDerWaalsContact O-CD1 3.28Å; H208-I212 WeakPolarHBondContact O-CD1 3.06Å; H208-I212 WeakPolarHBondContact O-CG1 2.77Å; H208-I212 PolarHBondContact O-N 2.88Å; Q209-I212 PolarHBondContact O-N 3.33Å; M210-I212 VanDerWaalsContact C-N 3.34Å; M210-I212 PolarHBondContact O-N 3.32Å; I212-W216 WeakPolarHBondContact O-CB 3.43Å; I212-W216 PolarHBondContact O-N 2.83Å
213	S	39.6	Very low	41.5	Very low	69 Å²	69	83.2 Å²	83.2	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-41.9	177.3	-55.1	0	0	0	0	112	Q209 M210 N211 W216 A217	Q209-S213 WeakPolarHBondContact O-CB 3.24Å; Q209-S213 PolarHBondContact O-N 2.77Å; Q209-S213 PolarHBondContact O-OG 3.46Å; M210-S213 CarbonylContact O-C 3.51Å; M210-S213 WeakPolarHBondContact O-CA 3.37Å; M210-S213 VanDerWaalsContact O-CB 3.3Å; M210-S213 WeakPolarHBondContact O-CB 3.26Å; M210-S213 PolarHBondContact O-N 2.71Å; N211-S213 VanDerWaalsContact C-N 3.31Å; S213-W216 PolarHBondContact O-N 2.71Å; S213-A217 WeakPolarHBondContact O-CB 3.19Å; S213-A217 PolarHBondContact O-N 2.75Å
214	T	41.9	Very low	41.5	Very low	41 Å²	41	86.9 Å²	86.9	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-43.7	176.3	-45.9	0	0	0	0	111.2	M210 W216 A217 N218	M210-T214 PolarHBondContact O-N 2.76Å; M210-T214 PolarHBondContact O-OG1 3.48Å; M210-T214 VanDerWaalsContact O-OG1 3.06Å; T214-W216 VanDerWaalsContact C-N 3.29Å; T214-W216 PolarHBondContact O-N 2.77Å; T214-A217 PolarHBondContact O-N 2.8Å; T214-N218 WeakPolarHBondContact O-CB 3.44Å; T214-N218 VanDerWaalsContact O-CG 3.28Å; T214-N218 PolarHBondContact O-N 2.98Å; T214-N218 PolarHBondContact O-OD1 3.19Å
215	L	41.3	Very low	41.9	Very low	100 Å²	100	88.7 Å²	88.7	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-30.1	173.8	-71.4	171	0	0	0	112.7	N211 R219	N211-L215 VanDerWaalsContact O-CB 3.27Å; N211-L215 WeakPolarHBondContact O-CB 3.25Å; N211-L215 VanDerWaalsContact O-CG 3.24Å; N211-L215 WeakPolarHBondContact O-CG 2.99Å; N211-L215 PolarHBondContact O-N 3.25Å; L215-R219 WeakPolarHBondContact O-CB 3.15Å; L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.34Å; L215-R219 PolarHBondContact O-N 3.09Å
216	W	41.3	Very low	42	Very low	137 Å²	137	86.2 Å²	86.2	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-71.8	-42	170.9	-178.1	82.1	0	0	0	111.3	I212 S213 T214 R219 N220 F224	I212-W216 WeakPolarHBondContact O-CB 3.43Å; I212-W216 PolarHBondContact O-N 2.83Å; S213-W216 PolarHBondContact O-N 2.71Å; T214-W216 VanDerWaalsContact C-N 3.29Å; T214-W216 PolarHBondContact O-N 2.77Å; W216-R219 PolarHBondContact O-N 3.32Å; W216-N220 VanDerWaalsContact CD1-ND2 3.29Å; W216-N220 PolarHBondContact NE1-ND2 3.25Å; W216-N220 WeakPolarHBondContact O-CB 3.48Å; W216-N220 PolarHBondContact O-N 3.06Å; W216-N220 PolarHBondContact O-ND2 3.04Å; W216-F224 HydrophobicContact CE3-CE2 4.04Å; W216-F224 HydrophobicContact CE3-CZ 4.34Å; W216-F224 HydrophobicContact CH2-CE2 4.12Å; W216-F224 HydrophobicContact CH2-CZ 4.35Å; W216-F224 AromaticContact CZ3-CE2 3.55Å; W216-F224 HydrophobicContact CZ3-CE2 3.55Å; W216-F224 AromaticContact CZ3-CZ 3.63Å; W216-F224 HydrophobicContact CZ3-CZ 3.63Å
217	A	37.9	Very low	42.1	Very low	25 Å²	25	87.2 Å²	87.2	21%	0.207	42%	0.42	C	S	.	.	H	α-helix	trans	-59.4	-51.7	174.8	0	0	0	0	0	111.4	S213 T214 R219 N220 Q221 F224	S213-A217 WeakPolarHBondContact O-CB 3.19Å; S213-A217 PolarHBondContact O-N 2.75Å; T214-A217 PolarHBondContact O-N 2.8Å; A217-R219 VanDerWaalsContact C-N 3.3Å; A217-R219 PolarHBondContact O-N 2.88Å; A217-N220 CarbonylContact O-C 3.57Å; A217-N220 PolarHBondContact O-N 2.93Å; A217-Q221 PolarHBondContact O-N 3.32Å; A217-F224 HydrophobicContact CB-CE2 4.06Å; A217-F224 HydrophobicContact CB-CZ 4.42Å
218	N	42.5	Very low	42.1	Very low	64 Å²	64	89.9 Å²	89.9	34%	0.342	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-38.1	179.6	-66.3	13.3	0	0	0	112.1	T214 Q221	T214-N218 WeakPolarHBondContact O-CB 3.44Å; T214-N218 VanDerWaalsContact O-CG 3.28Å; T214-N218 PolarHBondContact O-N 2.98Å; T214-N218 PolarHBondContact O-OD1 3.19Å; N218-Q221 WeakPolarHBondContact O-CG 3.21Å
219	R	40.7	Very low	42.4	Very low	209 Å²	209	85.9 Å²	85.9	79%	0.789	42%	0.419	S	S	*	.	H	α-helix	trans	-75.1	-20.4	175.8	-79.5	177.5	166.4	160.1	-3.7	114.9	L215 W216 A217	L215-R219 WeakPolarHBondContact O-CB 3.15Å; L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.34Å; L215-R219 PolarHBondContact O-N 3.09Å; W216-R219 PolarHBondContact O-N 3.32Å; A217-R219 VanDerWaalsContact C-N 3.3Å; A217-R219 PolarHBondContact O-N 2.88Å
220	N	41.5	Very low	42.6	Very low	30 Å²	30	85.1 Å²	85.1	16%	0.16	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	23	-178.4	-66.5	-88.3	0	0	0	111.2	W216 A217 D222 Q223 F224	W216-N220 VanDerWaalsContact CD1-ND2 3.29Å; W216-N220 PolarHBondContact NE1-ND2 3.25Å; W216-N220 WeakPolarHBondContact O-CB 3.48Å; W216-N220 PolarHBondContact O-N 3.06Å; W216-N220 PolarHBondContact O-ND2 3.04Å; A217-N220 CarbonylContact O-C 3.57Å; A217-N220 PolarHBondContact O-N 2.93Å; N220-D222 PolarHBondContact O-N 3.29Å; N220-Q223 HydrophobicContact CB-CB 4.16Å; N220-Q223 HydrophobicContact CB-CG 4.22Å; N220-Q223 CarbonylContact O-C 3.56Å; N220-Q223 WeakPolarHBondContact O-CA 3.46Å; N220-Q223 WeakPolarHBondContact O-CB 3.18Å; N220-Q223 PolarHBondContact O-N 2.99Å; N220-Q223 VanDerWaalsContact OD1-CD 3.25Å; N220-Q223 PolarHBondContact OD1-NE2 3.15Å; N220-Q223 PolarHBondContact OD1-OE1 3.11Å; N220-F224 HydrophobicContact CB-CD2 4.37Å; N220-F224 WeakPolarHBondContact O-CD2 3.28Å; N220-F224 PolarHBondContact O-N 3.37Å
221	Q	42.9	Very low	43	Very low	65 Å²	65	86.9 Å²	86.9	30%	0.304	42%	0.423	S	S	.	.	H	α-helix	trans	-50.5	-34.3	177.6	-82.3	179.6	-4.9	0	0	112	A217 N218 F224 R225	A217-Q221 PolarHBondContact O-N 3.32Å; N218-Q221 WeakPolarHBondContact O-CG 3.21Å; Q221-F224 CarbonylContact O-C 3.53Å; Q221-F224 PolarHBondContact O-N 3.36Å; Q221-R225 WeakPolarHBondContact O-CB 3.5Å; Q221-R225 WeakPolarHBondContact O-CG 3.18Å; Q221-R225 PolarHBondContact O-N 3.17Å
222	D	43.2	Very low	43.5	Very low	95 Å²	95	85.9 Å²	85.9	51%	0.508	42%	0.418	S	S	.	.	H	α-helix	trans	-71.5	-35.8	175.5	-58.1	-34.3	0	0	0	113.5	N220 F224 R225 I226	N220-D222 PolarHBondContact O-N 3.29Å; D222-F224 VanDerWaalsContact C-N 3.33Å; D222-R225 PolarHBondContact O-N 2.92Å; D222-R225 IonicContact OD1-CZ 2.94Å; D222-R225 VanDerWaalsContact OD1-CZ 3.24Å; D222-R225 IonicContact OD1-NE 3.42Å; D222-R225 PolarHBondContact OD1-NE 3.04Å; D222-R225 IonicContact OD1-NH2 3.78Å; D222-R225 PolarHBondContact OD1-NH2 3.27Å; D222-I226 WeakPolarHBondContact O-CB 3.24Å; D222-I226 WeakPolarHBondContact O-CD1 3.36Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.25Å; D222-I226 PolarHBondContact O-N 3.48Å
223	Q	42.5	Very low	44.3	Very low	102 Å²	102	81.8 Å²	81.8	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-67.7	-36.8	169.9	-56.1	-171.2	0.7	0	0	110.9	N220 I226 L227	N220-Q223 HydrophobicContact CB-CB 4.16Å; N220-Q223 HydrophobicContact CB-CG 4.22Å; N220-Q223 CarbonylContact O-C 3.56Å; N220-Q223 WeakPolarHBondContact O-CA 3.46Å; N220-Q223 WeakPolarHBondContact O-CB 3.18Å; N220-Q223 PolarHBondContact O-N 2.99Å; N220-Q223 VanDerWaalsContact OD1-CD 3.25Å; N220-Q223 PolarHBondContact OD1-NE2 3.15Å; N220-Q223 PolarHBondContact OD1-OE1 3.11Å; Q223-I226 PolarHBondContact O-N 2.68Å; Q223-L227 VanDerWaalsContact O-CB 3.27Å; Q223-L227 WeakPolarHBondContact O-CB 3.43Å; Q223-L227 WeakPolarHBondContact O-CG 3.06Å; Q223-L227 PolarHBondContact O-N 3.2Å
224	F	38.7	Very low	45.3	Very low	94 Å²	94	83.2 Å²	83.2	41%	0.412	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-38.9	172.6	-84.3	-84.1	0	0	0	112.2	W216 A217 N220 Q221 D222 L227 S228	W216-F224 HydrophobicContact CE3-CE2 4.04Å; W216-F224 HydrophobicContact CE3-CZ 4.34Å; W216-F224 HydrophobicContact CH2-CE2 4.12Å; W216-F224 HydrophobicContact CH2-CZ 4.35Å; W216-F224 AromaticContact CZ3-CE2 3.55Å; W216-F224 HydrophobicContact CZ3-CE2 3.55Å; W216-F224 AromaticContact CZ3-CZ 3.63Å; W216-F224 HydrophobicContact CZ3-CZ 3.63Å; A217-F224 HydrophobicContact CB-CE2 4.06Å; A217-F224 HydrophobicContact CB-CZ 4.42Å; N220-F224 HydrophobicContact CB-CD2 4.37Å; N220-F224 WeakPolarHBondContact O-CD2 3.28Å; N220-F224 PolarHBondContact O-N 3.37Å; Q221-F224 CarbonylContact O-C 3.53Å; Q221-F224 PolarHBondContact O-N 3.36Å; D222-F224 VanDerWaalsContact C-N 3.33Å; F224-L227 PolarHBondContact O-N 2.93Å; F224-S228 WeakPolarHBondContact O-CB 3.4Å; F224-S228 PolarHBondContact O-N 3.33Å
225	R	45.8	Very low	46.2	Very low	119 Å²	119	84.4 Å²	84.4	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-60.3	-48.8	171.1	-76.5	-173	-96.7	-130.4	1.6	110.8	Q221 D222 S228 Y229	Q221-R225 WeakPolarHBondContact O-CB 3.5Å; Q221-R225 WeakPolarHBondContact O-CG 3.18Å; Q221-R225 PolarHBondContact O-N 3.17Å; D222-R225 PolarHBondContact O-N 2.92Å; D222-R225 IonicContact OD1-CZ 2.94Å; D222-R225 VanDerWaalsContact OD1-CZ 3.24Å; D222-R225 IonicContact OD1-NE 3.42Å; D222-R225 PolarHBondContact OD1-NE 3.04Å; D222-R225 IonicContact OD1-NH2 3.78Å; D222-R225 PolarHBondContact OD1-NH2 3.27Å; R225-S228 PolarHBondContact O-N 3.23Å; R225-Y229 WeakPolarHBondContact O-CB 3.04Å; R225-Y229 PolarHBondContact O-N 3.02Å
226	I	46.8	Very low	47.3	Very low	98 Å²	98	81 Å²	81	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.8	-68.8	163.1	0	0	0	111.7	D222 Q223 Y229 Q230	D222-I226 WeakPolarHBondContact O-CB 3.24Å; D222-I226 WeakPolarHBondContact O-CD1 3.36Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.25Å; D222-I226 PolarHBondContact O-N 3.48Å; Q223-I226 PolarHBondContact O-N 2.68Å; I226-Y229 PolarHBondContact O-N 3.39Å; I226-Q230 WeakPolarHBondContact O-CB 3.2Å; I226-Q230 VanDerWaalsContact O-CG 3.29Å; I226-Q230 WeakPolarHBondContact O-CG 3.27Å; I226-Q230 PolarHBondContact O-N 2.99Å
227	L	44.1	Very low	48.4	Very low	92 Å²	92	74.8 Å²	74.8	48%	0.482	36%	0.359	S	S	.	.	H	α-helix	trans	-68.5	-37.5	179.4	-73.6	168.7	0	0	0	112.1	Q223 F224 Q230 Q231	Q223-L227 VanDerWaalsContact O-CB 3.27Å; Q223-L227 WeakPolarHBondContact O-CB 3.43Å; Q223-L227 WeakPolarHBondContact O-CG 3.06Å; Q223-L227 PolarHBondContact O-N 3.2Å; F224-L227 PolarHBondContact O-N 2.93Å; L227-Q230 PolarHBondContact O-N 2.99Å; L227-Q231 WeakPolarHBondContact O-CB 3.19Å; L227-Q231 PolarHBondContact O-N 3.12Å
228	S	42.8	Very low	49.7	Very low	68 Å²	68	79 Å²	79	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-41.9	173.9	-166.4	0	0	0	0	110.9	F224 R225 Q231 D232	F224-S228 WeakPolarHBondContact O-CB 3.4Å; F224-S228 PolarHBondContact O-N 3.33Å; R225-S228 PolarHBondContact O-N 3.23Å; S228-Q231 PolarHBondContact O-N 3.14Å; S228-D232 WeakPolarHBondContact O-CB 3.23Å; S228-D232 PolarHBondContact O-N 3.34Å
229	Y	48.1	Very low	50.8	Low	52 Å²	52	79.2 Å²	79.2	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-41.6	174.5	-177.2	-105.6	0	0	0	112.1	R225 I226 Q231 L233 V263	R225-Y229 WeakPolarHBondContact O-CB 3.04Å; R225-Y229 PolarHBondContact O-N 3.02Å; I226-Y229 PolarHBondContact O-N 3.39Å; Y229-Q231 PolarHBondContact O-N 2.87Å; Y229-L233 HydrophobicContact CD1-CD1 3.85Å; Y229-L233 HydrophobicContact CD1-CG 4.49Å; Y229-L233 HydrophobicContact CE1-CD1 3.41Å; Y229-L233 VanDerWaalsContact CE1-CD1 3.41Å; Y229-L233 HydrophobicContact CE1-CG 4.16Å; Y229-L233 WeakPolarHBondContact O-CB 3.3Å; Y229-L233 VanDerWaalsContact O-CG 3.3Å; Y229-L233 WeakPolarHBondContact O-CG 3.31Å; Y229-L233 PolarHBondContact O-N 2.88Å; Y229-V263 HydrophobicContact CE1-CG1 4.26Å; Y229-V263 WeakPolarHBondContact OH-CG1 3.02Å
230	Q	48.2	Very low	51.7	Low	110 Å²	110	71.1 Å²	71.1	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-64.4	-37	173.4	-73.8	174.9	8	0	0	112.7	I226 L227 K234	I226-Q230 WeakPolarHBondContact O-CB 3.2Å; I226-Q230 VanDerWaalsContact O-CG 3.29Å; I226-Q230 WeakPolarHBondContact O-CG 3.27Å; I226-Q230 PolarHBondContact O-N 2.99Å; L227-Q230 PolarHBondContact O-N 2.99Å; Q230-K234 VanDerWaalsContact O-CB 3.29Å; Q230-K234 WeakPolarHBondContact O-CB 3.25Å; Q230-K234 PolarHBondContact O-N 2.63Å
231	Q	50.1	Low	52.6	Low	90 Å²	90	71.8 Å²	71.8	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-74.4	-40.9	177.4	-175.8	58.2	34.2	0	0	111.8	L227 S228 Y229 K234 D235	L227-Q231 WeakPolarHBondContact O-CB 3.19Å; L227-Q231 PolarHBondContact O-N 3.12Å; S228-Q231 PolarHBondContact O-N 3.14Å; Y229-Q231 PolarHBondContact O-N 2.87Å; Q231-K234 PolarHBondContact O-N 3.22Å; Q231-K234 VanDerWaalsContact O-N 3.15Å; Q231-D235 VanDerWaalsContact NE2-CG 3.28Å; Q231-D235 PolarHBondContact NE2-OD2 2.94Å; Q231-D235 PolarHBondContact O-N 2.45Å
232	D	54.4	Low	53.4	Low	52 Å²	52	73.4 Å²	73.4	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-56.7	-49.4	170.5	-91.5	-2.1	0	0	0	110.4	S228 K234 D235 T236 K276	S228-D232 WeakPolarHBondContact O-CB 3.23Å; S228-D232 PolarHBondContact O-N 3.34Å; D232-K234 VanDerWaalsContact C-N 3.31Å; D232-K234 PolarHBondContact O-N 3.43Å; D232-D235 PolarHBondContact O-N 2.88Å; D232-T236 WeakPolarHBondContact O-CB 3.24Å; D232-T236 PolarHBondContact O-N 3.13Å; D232-T236 PolarHBondContact O-OG1 3.48Å; D232-K276 IonicContact OD1-NZ 2.64Å; D232-K276 IonicContact OD2-NZ 3.17Å; D232-K276 PolarHBondContact OD2-NZ 3.38Å
233	L	56	Low	54.1	Low	6 Å²	6	74.8 Å²	74.8	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-56.6	-44.3	174	-79.3	174.6	0	0	0	111.7	Y229 T236 I237 M258 V263 L266 L273	Y229-L233 HydrophobicContact CD1-CD1 3.85Å; Y229-L233 HydrophobicContact CD1-CG 4.49Å; Y229-L233 HydrophobicContact CE1-CD1 3.41Å; Y229-L233 VanDerWaalsContact CE1-CD1 3.41Å; Y229-L233 HydrophobicContact CE1-CG 4.16Å; Y229-L233 WeakPolarHBondContact O-CB 3.3Å; Y229-L233 VanDerWaalsContact O-CG 3.3Å; Y229-L233 WeakPolarHBondContact O-CG 3.31Å; Y229-L233 PolarHBondContact O-N 2.88Å; L233-T236 PolarHBondContact O-N 2.86Å; L233-I237 VanDerWaalsContact O-CG1 3.31Å; L233-I237 WeakPolarHBondContact O-CG1 3.19Å; L233-I237 PolarHBondContact O-N 3.46Å; L233-M258 HydrophobicContact CB-CE 3.91Å; L233-M258 HydrophobicContact CD1-CE 3.98Å; L233-M258 HydrophobicContact CD2-CE 4.49Å; L233-M258 HydrophobicContact CG-CE 4.37Å; L233-V263 HydrophobicContact CD1-CG1 4.47Å; L233-V263 HydrophobicContact CD1-CG2 4.32Å; L233-L266 HydrophobicContact CD2-CB 4.39Å; L233-L266 HydrophobicContact CD2-CD1 4.21Å; L233-L273 HydrophobicContact CD2-CD1 3.94Å
234	K	60.6	Low	54.3	Low	99 Å²	99	74.3 Å²	74.3	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-66.7	-42.3	-179.5	-172.5	171.3	-172.5	165.8	0	112.9	Q230 Q231 D232 I237 K238 L254	Q230-K234 VanDerWaalsContact O-CB 3.29Å; Q230-K234 WeakPolarHBondContact O-CB 3.25Å; Q230-K234 PolarHBondContact O-N 2.63Å; Q231-K234 PolarHBondContact O-N 3.22Å; Q231-K234 VanDerWaalsContact O-N 3.15Å; D232-K234 VanDerWaalsContact C-N 3.31Å; D232-K234 PolarHBondContact O-N 3.43Å; K234-I237 PolarHBondContact O-N 3.34Å; K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.38Å; K234-K238 PolarHBondContact O-N 2.88Å; K234-L254 HydrophobicContact CG-CD2 4.2Å
235	D	61.1	Low	54.4	Low	65 Å²	65	79.8 Å²	79.8	35%	0.348	40%	0.404	S	S	.	.	H	α-helix	trans	-75.6	-25.9	176	-78.8	-34.3	0	0	0	112	Q231 D232 K238 T239	Q231-D235 VanDerWaalsContact NE2-CG 3.28Å; Q231-D235 PolarHBondContact NE2-OD2 2.94Å; Q231-D235 PolarHBondContact O-N 2.45Å; D232-D235 PolarHBondContact O-N 2.88Å; D235-K238 PolarHBondContact O-N 3.47Å; D235-T239 WeakPolarHBondContact O-CB 3.23Å; D235-T239 WeakPolarHBondContact O-CG2 3.48Å; D235-T239 PolarHBondContact O-N 3.18Å; D235-T239 PolarHBondContact O-OG1 2.81Å
236	T	64.1	Low	54.1	Low	29 Å²	29	82.9 Å²	82.9	18%	0.178	42%	0.417	C	S	.	.	H	α-helix	trans	-66.8	-45.6	168.2	-48.1	0	0	0	0	110.4	D232 L233 K238 T239 M240	D232-T236 WeakPolarHBondContact O-CB 3.24Å; D232-T236 PolarHBondContact O-N 3.13Å; D232-T236 PolarHBondContact O-OG1 3.48Å; L233-T236 PolarHBondContact O-N 2.86Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.23Å; T236-T239 WeakPolarHBondContact CA-OG1 3.4Å; T236-T239 PolarHBondContact O-N 2.54Å; T236-T239 PolarHBondContact O-OG1 3.27Å; T236-M240 HydrophobicContact CG2-CE 3.5Å; T236-M240 VanDerWaalsContact CG2-CE 3.5Å; T236-M240 WeakPolarHBondContact O-CG 3.29Å; T236-M240 PolarHBondContact O-N 3.13Å
237	I	64.9	Low	53.7	Low	7 Å²	7	82 Å²	82	4%	0.036	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-40.4	173.2	-70.6	162.3	0	0	0	111.5	L233 K234 M240 A241 L253 L254 M258 L266	L233-I237 VanDerWaalsContact O-CG1 3.31Å; L233-I237 WeakPolarHBondContact O-CG1 3.19Å; L233-I237 PolarHBondContact O-N 3.46Å; K234-I237 PolarHBondContact O-N 3.34Å; I237-M240 WeakPolarHBondContact O-CB 3.21Å; I237-M240 PolarHBondContact O-N 3.08Å; I237-A241 WeakPolarHBondContact O-CB 3.48Å; I237-A241 PolarHBondContact O-N 2.84Å; I237-L253 HydrophobicContact CG2-CB 4.19Å; I237-L254 HydrophobicContact CG2-CD2 4.26Å; I237-L254 HydrophobicContact CG2-CG 4.15Å; I237-M258 HydrophobicContact CD1-CE 3.48Å; I237-M258 VanDerWaalsContact CD1-CE 3.48Å; I237-M258 HydrophobicContact CD1-SD 3.53Å; I237-M258 VanDerWaalsContact CD1-SD 3.53Å; I237-L266 HydrophobicContact CD1-CD1 4.01Å; I237-L266 HydrophobicContact CG1-CD1 4.26Å; I237-L266 HydrophobicContact CG1-CD2 4.38Å
238	K	65.4	Low	53.7	Low	114 Å²	114	83.1 Å²	83.1	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-67.9	-39.1	178	-172.8	-177.7	171.1	-166.5	0	112.2	K234 D235 T236 A241 T242	K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.38Å; K234-K238 PolarHBondContact O-N 2.88Å; D235-K238 PolarHBondContact O-N 3.47Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.23Å; K238-A241 CarbonylContact O-C 3.52Å; K238-A241 WeakPolarHBondContact O-CB 3.45Å; K238-A241 PolarHBondContact O-N 3.45Å; K238-T242 PolarHBondContact O-N 3.32Å; K238-T242 PolarHBondContact O-OG1 3.46Å
239	T	64.3	Low	53.7	Low	68 Å²	68	83.6 Å²	83.6	42%	0.417	44%	0.439	S	S	.	.	H	α-helix	trans	-72.1	-31.7	174.5	48.2	0	0	0	0	112.3	D235 T236 A241 T242 N243	D235-T239 WeakPolarHBondContact O-CB 3.23Å; D235-T239 WeakPolarHBondContact O-CG2 3.48Å; D235-T239 PolarHBondContact O-N 3.18Å; D235-T239 PolarHBondContact O-OG1 2.81Å; T236-T239 WeakPolarHBondContact CA-OG1 3.4Å; T236-T239 PolarHBondContact O-N 2.54Å; T236-T239 PolarHBondContact O-OG1 3.27Å; T239-A241 VanDerWaalsContact C-N 3.33Å; T239-T242 WeakPolarHBondContact CA-OG1 3.33Å; T239-T242 PolarHBondContact O-N 3.42Å; T239-T242 PolarHBondContact O-OG1 3.08Å; T239-N243 WeakPolarHBondContact O-CB 3.43Å; T239-N243 PolarHBondContact O-N 3.4Å; T239-N243 PolarHBondContact O-OD1 3.39Å
240	M	60.2	Low	53.4	Low	38 Å²	38	82.8 Å²	82.8	19%	0.187	44%	0.441	C	S	.	.	H	α-helix	trans	-58.9	-45.9	163.7	-70.1	176.5	-138.4	0	0	111.2	T236 I237 T242 N243 N244 L266 Y270	T236-M240 HydrophobicContact CG2-CE 3.5Å; T236-M240 VanDerWaalsContact CG2-CE 3.5Å; T236-M240 WeakPolarHBondContact O-CG 3.29Å; T236-M240 PolarHBondContact O-N 3.13Å; I237-M240 WeakPolarHBondContact O-CB 3.21Å; I237-M240 PolarHBondContact O-N 3.08Å; M240-T242 VanDerWaalsContact C-N 3.27Å; M240-T242 PolarHBondContact O-N 3.2Å; M240-N243 PolarHBondContact O-N 3.21Å; M240-N244 WeakPolarHBondContact O-CB 3.39Å; M240-N244 PolarHBondContact O-N 3.47Å; M240-L266 HydrophobicContact CE-CD2 3.41Å; M240-L266 VanDerWaalsContact CE-CD2 3.41Å; M240-L266 HydrophobicContact SD-CD2 4.35Å; M240-Y270 HydrophobicContact CE-CD2 3.62Å; M240-Y270 HydrophobicContact CE-CE1 4.44Å; M240-Y270 HydrophobicContact CE-CE2 3.13Å; M240-Y270 HydrophobicContact CE-CG 4.48Å; M240-Y270 HydrophobicContact CG-CE2 4.42Å; M240-Y270 HydrophobicContact SD-CE2 3.77Å
241	A	59.5	Low	53.1	Low	44 Å²	44	81.1 Å²	81.1	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-68.2	-19.5	-180	0	0	0	0	0	114.4	I237 K238 T239	I237-A241 WeakPolarHBondContact O-CB 3.48Å; I237-A241 PolarHBondContact O-N 2.84Å; K238-A241 CarbonylContact O-C 3.52Å; K238-A241 WeakPolarHBondContact O-CB 3.45Å; K238-A241 PolarHBondContact O-N 3.45Å; T239-A241 VanDerWaalsContact C-N 3.33Å
242	T	61	Low	53	Low	99 Å²	99	80.3 Å²	80.3	61%	0.607	45%	0.445	S	S	*	.	H	α-helix	trans	-94.6	-31.3	171.9	56.9	0	0	0	0	113.7	K238 T239 M240	K238-T242 PolarHBondContact O-N 3.32Å; K238-T242 PolarHBondContact O-OG1 3.46Å; T239-T242 WeakPolarHBondContact CA-OG1 3.33Å; T239-T242 PolarHBondContact O-N 3.42Å; T239-T242 PolarHBondContact O-OG1 3.08Å; M240-T242 VanDerWaalsContact C-N 3.27Å; M240-T242 PolarHBondContact O-N 3.2Å
243	N	58.3	Low	52.6	Low	124 Å²	124	80.3 Å²	80.3	66%	0.663	45%	0.445	S	S	*	.	H	α-helix	trans	-99.2	-27.9	-169.7	-59.1	1.6	0	0	0	112.8	T239 M240	T239-N243 WeakPolarHBondContact O-CB 3.43Å; T239-N243 PolarHBondContact O-N 3.4Å; T239-N243 PolarHBondContact O-OD1 3.39Å; M240-N243 PolarHBondContact O-N 3.21Å
244	N	45.5	Very low	52.2	Low	92 Å²	92	82.5 Å²	82.5	49%	0.492	46%	0.457	S	S	.	.			trans	-100.5	124.9	176.6	-81.7	-23.1	0	0	0	111.6	M240 Y246	M240-N244 WeakPolarHBondContact O-CB 3.39Å; M240-N244 PolarHBondContact O-N 3.47Å; N244-Y246 PolarHBondContact O-N 2.96Å
245	F	42	Very low	51.6	Low	209 Å²	209	84.5 Å²	84.5	92%	0.917	47%	0.472	S	S	*	.			trans	-72.4	33.6	177.8	-130.3	-93.5	0	0	0	113.2
246	Y	39.5	Very low	50.8	Low	184 Å²	184	87.3 Å²	87.3	72%	0.722	49%	0.487	S	S	*	.			trans	-120.9	100.3	-165.8	-81.9	-79.8	0	0	0	114.2	N244	N244-Y246 PolarHBondContact O-N 2.96Å
247	S	38.2	Very low	50	Low	80 Å²	80	95.3 Å²	95.3	56%	0.559	52%	0.523	S	S	*	.			trans	47.1	94.3	139	59.5	0	0	0	0	118.1	S249	S247-S249 PolarHBondContact O-N 3.26Å; S247-S249 PolarHBondContact O-OG 3.43Å
248	S	43.4	Very low	49.6	Very low	115 Å²	115	97.2 Å²	97.2	80%	0.804	53%	0.532	S	S	*	.	S	Bend		60.9	-10.5	128.5	-45.6	0	0	0	0	121.2
249	S	43.3	Very low	49.3	Very low	78 Å²	78	96 Å²	96	55%	0.545	53%	0.531	S	S	.	.			trans	-118.1	-17.4	-167	-56.9	0	0	0	0	113.6	S247 S251 S252	S247-S249 PolarHBondContact O-N 3.26Å; S247-S249 PolarHBondContact O-OG 3.43Å; S249-S251 VanDerWaalsContact C-N 3.27Å; S249-S251 PolarHBondContact O-N 3.05Å; S249-S252 PolarHBondContact O-OG 3.06Å; S249-S252 VanDerWaalsContact O-OG 3.06Å
250	S	41.6	Very low	49.1	Very low	36 Å²	36	100.6 Å²	100.6	25%	0.252	55%	0.547	S	S	.	.	H	α-helix	trans	-71.6	-19.3	175.8	49.8	0	0	0	0	113.6
251	S	42.4	Very low	49.5	Very low	75 Å²	75	105.5 Å²	105.5	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-73.3	-29.5	179.1	54.5	0	0	0	0	113.9	S249	S249-S251 VanDerWaalsContact C-N 3.27Å; S249-S251 PolarHBondContact O-N 3.05Å
252	S	47.1	Very low	49.7	Very low	72 Å²	72	106.2 Å²	106.2	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-79.4	-28.2	177.3	59.9	0	0	0	0	112.8	S249 L254	S249-S252 PolarHBondContact O-OG 3.06Å; S249-S252 VanDerWaalsContact O-OG 3.06Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.15Å
253	L	47.1	Very low	49.7	Very low	53 Å²	53	102.6 Å²	102.6	28%	0.277	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-22.9	174.7	-78.2	162.7	0	0	0	113.6	I237 N255 M258	I237-L253 HydrophobicContact CG2-CB 4.19Å; L253-N255 PolarHBondContact O-N 3.15Å; L253-M258 HydrophobicContact CD2-CG 3.95Å; L253-M258 HydrophobicContact CD2-SD 4.04Å
254	L	47.5	Very low	50.1	Low	52 Å²	52	101.2 Å²	101.2	27%	0.272	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.7	-174.9	-82.8	163.9	0	0	0	115.2	K234 I237 S252	K234-L254 HydrophobicContact CG-CD2 4.2Å; I237-L254 HydrophobicContact CG2-CD2 4.26Å; I237-L254 HydrophobicContact CG2-CG 4.15Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.15Å
255	N	47.4	Very low	51.2	Low	141 Å²	141	101 Å²	101	75%	0.754	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-12.5	-170.4	-75.8	-23.3	0	0	0	115.4	L253	L253-N255 PolarHBondContact O-N 3.15Å
256	N	44.8	Very low	52.2	Low	124 Å²	124	91.7 Å²	91.7	66%	0.663	49%	0.49	S	S	*	.	S	Bend	trans	-119.8	156.3	-176	-71.4	-38.2	0	0	0	111.5	M258	N256-M258 PolarHBondContact O-N 3.04Å
257	Q	46.9	Very low	53.4	Low	197 Å²	197	83.8 Å²	83.8	92%	0.921	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-59.7	122.5	171.1	-70.4	175.1	-38.9	0	0	109.7
258	M	55.8	Low	54.9	Low	47 Å²	47	84.3 Å²	84.3	23%	0.232	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-68.3	136.4	170.9	-79.7	-166.5	-72.5	0	0	110.5	L233 I237 L253 N256 Q262 V263 L266	L233-M258 HydrophobicContact CB-CE 3.91Å; L233-M258 HydrophobicContact CD1-CE 3.98Å; L233-M258 HydrophobicContact CD2-CE 4.49Å; L233-M258 HydrophobicContact CG-CE 4.37Å; I237-M258 HydrophobicContact CD1-CE 3.48Å; I237-M258 VanDerWaalsContact CD1-CE 3.48Å; I237-M258 HydrophobicContact CD1-SD 3.53Å; I237-M258 VanDerWaalsContact CD1-SD 3.53Å; L253-M258 HydrophobicContact CD2-CG 3.95Å; L253-M258 HydrophobicContact CD2-SD 4.04Å; N256-M258 PolarHBondContact O-N 3.04Å; M258-Q262 HydrophobicContact CB-CB 4.41Å; M258-Q262 HydrophobicContact CG-CB 4.46Å; M258-Q262 HydrophobicContact SD-CB 4.36Å; M258-V263 HydrophobicContact CB-CG2 4.26Å; M258-L266 HydrophobicContact CE-CD1 3.94Å; M258-L266 HydrophobicContact SD-CD1 3.44Å; M258-L266 WeakPolarHBondContact SD-CD1 2.82Å
259	N	60	Low	55.8	Low	87 Å²	87	84.5 Å²	84.5	47%	0.465	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-79.7	160.8	171.6	69.2	53.2	0	0	0	110.8	K261 Q262 V263	N259-K261 PolarHBondContact O-N 2.77Å; N259-K261 VanDerWaalsContact O-N 3.12Å; N259-K261 WeakPolarHBondContact OD1-CB 3.33Å; N259-K261 PolarHBondContact OD1-N 3.13Å; N259-K261 VanDerWaalsContact OD1-N 3.13Å; N259-Q262 PolarHBondContact ND2-OE1 2.91Å; N259-Q262 WeakPolarHBondContact O-CB 3.41Å; N259-Q262 PolarHBondContact O-N 3.14Å; N259-Q262 VanDerWaalsContact O-N 3.07Å; N259-Q262 WeakPolarHBondContact OD1-CG 2.93Å; N259-Q262 PolarHBondContact OD1-N 3.01Å; N259-V263 PolarHBondContact O-N 3.27Å
260	Q	60.2	Low	56.7	Low	165 Å²	165	84.4 Å²	84.4	77%	0.771	44%	0.443	S	S	*	.	H	α-helix	trans	-63.5	-22.6	-173.6	-138.8	154.4	-7.8	0	0	113.4	N264	Q260-N264 PolarHBondContact O-N 2.99Å; Q260-N264 VanDerWaalsContact O-N 3.13Å; Q260-N264 PolarHBondContact O-ND2 3.26Å; Q260-N264 PolarHBondContact O-OD1 3Å
261	K	68	Low	57.5	Low	141 Å²	141	86.7 Å²	86.7	61%	0.613	46%	0.457	S	S	*	.	H	α-helix	trans	-72.2	-42.9	174	-171.7	176.6	-175.3	-79.8	0	111.8	N259 V263 N264 E265	N259-K261 PolarHBondContact O-N 2.77Å; N259-K261 VanDerWaalsContact O-N 3.12Å; N259-K261 WeakPolarHBondContact OD1-CB 3.33Å; N259-K261 PolarHBondContact OD1-N 3.13Å; N259-K261 VanDerWaalsContact OD1-N 3.13Å; K261-V263 VanDerWaalsContact C-N 3.31Å; K261-V263 PolarHBondContact O-N 3.1Å; K261-N264 PolarHBondContact O-N 3.26Å; K261-E265 IonicContact NZ-OE1 2.69Å; K261-E265 PolarHBondContact NZ-OE1 2.97Å; K261-E265 WeakPolarHBondContact O-CG 3.19Å; K261-E265 PolarHBondContact O-N 3.14Å
262	Q	63.3	Low	58.2	Low	60 Å²	60	88.9 Å²	88.9	28%	0.28	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-37.4	174.5	-69.5	166.5	-40.6	0	0	111.9	M258 N259 E265 L266	M258-Q262 HydrophobicContact CB-CB 4.41Å; M258-Q262 HydrophobicContact CG-CB 4.46Å; M258-Q262 HydrophobicContact SD-CB 4.36Å; N259-Q262 PolarHBondContact ND2-OE1 2.91Å; N259-Q262 WeakPolarHBondContact O-CB 3.41Å; N259-Q262 PolarHBondContact O-N 3.14Å; N259-Q262 VanDerWaalsContact O-N 3.07Å; N259-Q262 WeakPolarHBondContact OD1-CG 2.93Å; N259-Q262 PolarHBondContact OD1-N 3.01Å; Q262-E265 PolarHBondContact O-N 3.36Å; Q262-L266 WeakPolarHBondContact O-CB 3.46Å; Q262-L266 PolarHBondContact O-N 2.77Å
263	V	60.6	Low	58.5	Low	23 Å²	23	85.8 Å²	85.8	14%	0.139	44%	0.439	C	S	.	.	H	α-helix	trans	-64	-45	174.1	177.1	0	0	0	0	111.1	Y229 L233 M258 N259 K261 E265 L266 I267	Y229-V263 HydrophobicContact CE1-CG1 4.26Å; Y229-V263 WeakPolarHBondContact OH-CG1 3.02Å; L233-V263 HydrophobicContact CD1-CG1 4.47Å; L233-V263 HydrophobicContact CD1-CG2 4.32Å; M258-V263 HydrophobicContact CB-CG2 4.26Å; N259-V263 PolarHBondContact O-N 3.27Å; K261-V263 VanDerWaalsContact C-N 3.31Å; K261-V263 PolarHBondContact O-N 3.1Å; V263-E265 PolarHBondContact O-N 2.77Å; V263-L266 WeakPolarHBondContact O-CB 3.09Å; V263-L266 PolarHBondContact O-N 3.08Å; V263-I267 HydrophobicContact CG1-CD1 3.95Å; V263-I267 WeakPolarHBondContact O-CG1 3.25Å; V263-I267 PolarHBondContact O-N 2.66Å
264	N	67.3	Low	58.9	Low	95 Å²	95	88.6 Å²	88.6	51%	0.508	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-39.1	176.6	-68.8	-9.8	0	0	0	112.6	Q260 K261 I267 S268	Q260-N264 PolarHBondContact O-N 2.99Å; Q260-N264 VanDerWaalsContact O-N 3.13Å; Q260-N264 PolarHBondContact O-ND2 3.26Å; Q260-N264 PolarHBondContact O-OD1 3Å; K261-N264 PolarHBondContact O-N 3.26Å; N264-I267 PolarHBondContact O-N 2.77Å; N264-S268 PolarHBondContact O-N 3.45Å
265	E	68.9	Low	59.2	Low	86 Å²	86	91.6 Å²	91.6	40%	0.402	47%	0.466	S	S	.	.	H	α-helix	trans	-61.5	-43.8	173.1	-73.4	164.7	-173.7	0	0	110.7	K261 Q262 V263 S268 L269	K261-E265 IonicContact NZ-OE1 2.69Å; K261-E265 PolarHBondContact NZ-OE1 2.97Å; K261-E265 WeakPolarHBondContact O-CG 3.19Å; K261-E265 PolarHBondContact O-N 3.14Å; Q262-E265 PolarHBondContact O-N 3.36Å; V263-E265 PolarHBondContact O-N 2.77Å; E265-S268 PolarHBondContact O-N 3.14Å; E265-S268 PolarHBondContact O-OG 3.42Å; E265-L269 WeakPolarHBondContact O-CG 2.94Å; E265-L269 PolarHBondContact O-N 3.43Å; E265-L269 VanDerWaalsContact O-N 3.12Å
266	L	62.7	Low	59.3	Low	15 Å²	15	90 Å²	90	8%	0.079	45%	0.452	C	S	.	.	H	α-helix	trans	-60.8	-45.6	174.1	-87.6	158.4	0	0	0	113.4	L233 I237 M240 M258 Q262 V263 S268 L269 Y270 L273	L233-L266 HydrophobicContact CD2-CB 4.39Å; L233-L266 HydrophobicContact CD2-CD1 4.21Å; I237-L266 HydrophobicContact CD1-CD1 4.01Å; I237-L266 HydrophobicContact CG1-CD1 4.26Å; I237-L266 HydrophobicContact CG1-CD2 4.38Å; M240-L266 HydrophobicContact CE-CD2 3.41Å; M240-L266 VanDerWaalsContact CE-CD2 3.41Å; M240-L266 HydrophobicContact SD-CD2 4.35Å; M258-L266 HydrophobicContact CE-CD1 3.94Å; M258-L266 HydrophobicContact SD-CD1 3.44Å; M258-L266 WeakPolarHBondContact SD-CD1 2.82Å; Q262-L266 WeakPolarHBondContact O-CB 3.46Å; Q262-L266 PolarHBondContact O-N 2.77Å; V263-L266 WeakPolarHBondContact O-CB 3.09Å; V263-L266 PolarHBondContact O-N 3.08Å; L266-S268 VanDerWaalsContact C-N 3.26Å; L266-S268 PolarHBondContact O-N 3.47Å; L266-L269 PolarHBondContact O-N 2.97Å; L266-Y270 PolarHBondContact O-N 2.75Å; L266-L273 HydrophobicContact CB-CD1 4.31Å
267	I	66	Low	59.2	Low	18 Å²	18	89 Å²	89	9%	0.092	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-35	176	-65.9	164	0	0	0	111.1	V263 N264 Y270 L273 K274	V263-I267 HydrophobicContact CG1-CD1 3.95Å; V263-I267 WeakPolarHBondContact O-CG1 3.25Å; V263-I267 PolarHBondContact O-N 2.66Å; N264-I267 PolarHBondContact O-N 2.77Å; I267-Y270 CarbonylContact O-C 3.5Å; I267-L273 HydrophobicContact CG1-CB 4.27Å; I267-K274 HydrophobicContact CG2-CB 3.76Å; I267-K274 HydrophobicContact CG2-CD 4.47Å; I267-K274 HydrophobicContact CG2-CG 3.89Å
268	S	68.4	Low	59	Low	90 Å²	90	83.8 Å²	83.8	63%	0.629	42%	0.421	S	S	*	.	H	α-helix	trans	-70.8	-33.1	178	78.4	0	0	0	0	113.4	N264 E265 L266	N264-S268 PolarHBondContact O-N 3.45Å; E265-S268 PolarHBondContact O-N 3.14Å; E265-S268 PolarHBondContact O-OG 3.42Å; L266-S268 VanDerWaalsContact C-N 3.26Å; L266-S268 PolarHBondContact O-N 3.47Å
269	L	61.9	Low	58.1	Low	120 Å²	120	86.9 Å²	86.9	63%	0.628	44%	0.436	S	S	*	.	H	α-helix	trans	-80.2	-27.2	178.6	-70.2	168.1	0	0	0	112.8	E265 L266	E265-L269 WeakPolarHBondContact O-CG 2.94Å; E265-L269 PolarHBondContact O-N 3.43Å; E265-L269 VanDerWaalsContact O-N 3.12Å; L266-L269 PolarHBondContact O-N 2.97Å
270	Y	62.5	Low	56.9	Low	75 Å²	75	88.4 Å²	88.4	29%	0.294	45%	0.448	S	S	.	.			trans	-130.2	89.1	-176.2	-66.3	-88.1	0	0	0	110.8	M240 L266 I267 I272 L273	M240-Y270 HydrophobicContact CE-CD2 3.62Å; M240-Y270 HydrophobicContact CE-CE1 4.44Å; M240-Y270 HydrophobicContact CE-CE2 3.13Å; M240-Y270 HydrophobicContact CE-CG 4.48Å; M240-Y270 HydrophobicContact CG-CE2 4.42Å; M240-Y270 HydrophobicContact SD-CE2 3.77Å; L266-Y270 PolarHBondContact O-N 2.75Å; I267-Y270 CarbonylContact O-C 3.5Å; Y270-I272 PolarHBondContact O-N 3.02Å; Y270-L273 WeakPolarHBondContact O-CB 3.21Å; Y270-L273 PolarHBondContact O-N 3.2Å
271	P	59	Low	55.6	Low	84 Å²	84	85.6 Å²	85.6	55%	0.545	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.2	179.2	-29.1	36.4	0	0	0	114.7	L273 K274 D275	P271-L273 PolarHBondContact O-N 2.66Å; P271-K274 WeakPolarHBondContact O-CA 3.35Å; P271-K274 WeakPolarHBondContact O-CB 3.46Å; P271-K274 PolarHBondContact O-N 3.21Å; P271-D275 PolarHBondContact O-N 3.15Å
272	I	57.7	Low	53.8	Low	122 Å²	122	85.2 Å²	85.2	63%	0.626	44%	0.437	S	S	*	.	H	α-helix	trans	-57.8	-30	173.6	-56.8	169.8	0	0	0	112	Y270 K274	Y270-I272 PolarHBondContact O-N 3.02Å; I272-K274 VanDerWaalsContact C-N 3.34Å
273	L	52.4	Low	52.4	Low	7 Å²	7	90.2 Å²	90.2	4%	0.037	47%	0.466	C	S	.	.	H	α-helix	trans	-76.4	-21.7	172.8	-60.4	178.5	0	0	0	112.6	L233 L266 I267 Y270 P271 H277	L233-L273 HydrophobicContact CD2-CD1 3.94Å; L266-L273 HydrophobicContact CB-CD1 4.31Å; I267-L273 HydrophobicContact CG1-CB 4.27Å; Y270-L273 WeakPolarHBondContact O-CB 3.21Å; Y270-L273 PolarHBondContact O-N 3.2Å; P271-L273 PolarHBondContact O-N 2.66Å; L273-H277 WeakPolarHBondContact O-CB 3.48Å; L273-H277 PolarHBondContact O-N 2.69Å; L273-H277 VanDerWaalsContact O-N 3.13Å
274	K	55.3	Low	50.9	Low	111 Å²	111	95.1 Å²	95.1	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-77.5	-40.4	-179.9	-162.6	179.2	-179.4	-177.4	0	111.3	I267 P271 I272 H277 N278	I267-K274 HydrophobicContact CG2-CB 3.76Å; I267-K274 HydrophobicContact CG2-CD 4.47Å; I267-K274 HydrophobicContact CG2-CG 3.89Å; P271-K274 WeakPolarHBondContact O-CA 3.35Å; P271-K274 WeakPolarHBondContact O-CB 3.46Å; P271-K274 PolarHBondContact O-N 3.21Å; I272-K274 VanDerWaalsContact C-N 3.34Å; K274-H277 CarbonylContact O-C 3.56Å; K274-H277 PolarHBondContact O-N 3.02Å; K274-H277 VanDerWaalsContact O-N 3.13Å; K274-N278 VanDerWaalsContact O-CB 3.25Å; K274-N278 WeakPolarHBondContact O-CB 3.19Å; K274-N278 PolarHBondContact O-N 3.15Å
275	D	54	Low	49.3	Very low	115 Å²	115	97.5 Å²	97.5	62%	0.615	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-47.2	174.6	-56.2	-34.8	0	0	0	110	P271 H277 N278 E279	P271-D275 PolarHBondContact O-N 3.15Å; D275-H277 PolarHBondContact O-N 2.84Å; D275-H277 VanDerWaalsContact O-N 3.16Å; D275-N278 CarbonylContact O-C 3.52Å; D275-N278 PolarHBondContact O-N 3.48Å; D275-E279 PolarHBondContact O-N 2.92Å; D275-E279 VanDerWaalsContact O-N 3.09Å
276	K	49.3	Very low	47.7	Very low	109 Å²	109	99.5 Å²	99.5	47%	0.474	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-19.5	171.6	-74.5	-175.3	166.9	-171.7	0	115.4	D232	D232-K276 IonicContact OD1-NZ 2.64Å; D232-K276 IonicContact OD2-NZ 3.17Å; D232-K276 PolarHBondContact OD2-NZ 3.38Å
277	H	43.5	Very low	46.6	Very low	101 Å²	101	104 Å²	104	47%	0.468	54%	0.537	S	S	.	.	H	α-helix	trans	-95.2	-18.4	176.9	-175.6	-69.9	0	0	0	111.8	L273 K274 D275	L273-H277 WeakPolarHBondContact O-CB 3.48Å; L273-H277 PolarHBondContact O-N 2.69Å; L273-H277 VanDerWaalsContact O-N 3.13Å; K274-H277 CarbonylContact O-C 3.56Å; K274-H277 PolarHBondContact O-N 3.02Å; K274-H277 VanDerWaalsContact O-N 3.13Å; D275-H277 PolarHBondContact O-N 2.84Å; D275-H277 VanDerWaalsContact O-N 3.16Å
278	N	41.5	Very low	45.1	Very low	88 Å²	88	105.3 Å²	105.3	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-114.7	13.3	-174.3	-69.6	2	0	0	0	113.2	K274 D275 T280	K274-N278 VanDerWaalsContact O-CB 3.25Å; K274-N278 WeakPolarHBondContact O-CB 3.19Å; K274-N278 PolarHBondContact O-N 3.15Å; D275-N278 CarbonylContact O-C 3.52Å; D275-N278 PolarHBondContact O-N 3.48Å; N278-T280 PolarHBondContact O-N 3.1Å
279	E	38.8	Very low	43.4	Very low	113 Å²	113	107.5 Å²	107.5	53%	0.528	55%	0.551	S	S	.	*			trans	-63.3	77.8	152.9	-74.6	-175.7	167.9	0	0	108.7	D275 F281	D275-E279 PolarHBondContact O-N 2.92Å; D275-E279 VanDerWaalsContact O-N 3.09Å; E279-F281 VanDerWaalsContact C-N 3.26Å; E279-F281 HydrophobicContact CB-CD2 4.39Å; E279-F281 HydrophobicContact CB-CE2 3.88Å; E279-F281 HydrophobicContact CB-CZ 3.95Å; E279-F281 WeakPolarHBondContact O-CD2 3.32Å; E279-F281 VanDerWaalsContact O-CE2 3.27Å; E279-F281 WeakPolarHBondContact O-CE2 2.95Å; E279-F281 PolarHBondContact O-N 3.16Å; E279-F281 WeakPolarHBondContact OE2-CZ 3.41Å
280	T	32.9	Very low	42.3	Very low	119 Å²	119	104.4 Å²	104.4	73%	0.73	53%	0.533	S	S	*	.			trans	-68.5	91	162.4	48.2	0	0	0	0	106.8	N278 I282	N278-T280 PolarHBondContact O-N 3.1Å; T280-I282 PolarHBondContact O-N 3.39Å
281	F	33.2	Very low	41.1	Very low	105 Å²	105	105 Å²	105	46%	0.461	54%	0.542	S	S	.	.			trans	-57.1	94.4	-174.2	-71.1	-89.5	0	0	0	111.8	E279 L286	E279-F281 VanDerWaalsContact C-N 3.26Å; E279-F281 HydrophobicContact CB-CD2 4.39Å; E279-F281 HydrophobicContact CB-CE2 3.88Å; E279-F281 HydrophobicContact CB-CZ 3.95Å; E279-F281 WeakPolarHBondContact O-CD2 3.32Å; E279-F281 VanDerWaalsContact O-CE2 3.27Å; E279-F281 WeakPolarHBondContact O-CE2 2.95Å; E279-F281 PolarHBondContact O-N 3.16Å; E279-F281 WeakPolarHBondContact OE2-CZ 3.41Å; F281-L286 HydrophobicContact CD1-CD1 4.03Å; F281-L286 HydrophobicContact CE1-CD1 3.66Å
282	I	31.6	Very low	39.7	Very low	133 Å²	133	108.7 Å²	108.7	68%	0.682	55%	0.545	S	S	*	.			trans	-72	127.6	162.3	-62.7	171.9	0	0	0	106.3	T280 N284	T280-I282 PolarHBondContact O-N 3.39Å; I282-N284 PolarHBondContact O-N 3.25Å
283	D	33.1	Very low	38.5	Very low	166 Å²	166	109.5 Å²	109.5	89%	0.888	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	6.2	-164.5	-74.8	-64.1	0	0	0	117.7
284	N	29.6	Very low	37.9	Very low	126 Å²	126	113 Å²	113	67%	0.674	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-33.8	-158	-67.2	-25.8	0	0	0	116.5	I282	I282-N284 PolarHBondContact O-N 3.25Å
285	D	34.2	Very low	37.3	Very low	144 Å²	144	110.3 Å²	110.3	77%	0.77	56%	0.559	S	S	*	*	S	Bend	trans	-125.6	-4.3	-161	-73.4	-71.3	0	0	0	116.9
286	L	34.8	Very low	36.5	Very low	129 Å²	129	110.7 Å²	110.7	68%	0.675	55%	0.553	S	S	*	*			trans	-112.9	86.9	-179.6	-77	172.3	0	0	0	112.6	F281	F281-L286 HydrophobicContact CD1-CD1 4.03Å; F281-L286 HydrophobicContact CE1-CD1 3.66Å
287	Q	38.3	Very low	36	Very low	110 Å²	110	108.8 Å²	108.8	51%	0.514	55%	0.551	S	S	.	*			trans	-70.9	143.2	168.7	-60.5	-153.9	8.3	0	0	111.4	N291 Y292	Q287-N291 HydrophobicContact CB-CB 3.93Å; Q287-N291 PolarHBondContact OE1-ND2 3.28Å; Q287-Y292 HydrophobicContact CB-CE2 4.01Å
288	P	34.8	Very low	36.2	Very low	45 Å²	45	104.7 Å²	104.7	29%	0.292	53%	0.532	S	S	.	.			trans	-52	154.5	173.6	-26.9	33	0	0	0	113.6	E290 N291	P288-E290 HydrophobicContact CB-CB 4.46Å; P288-E290 VanDerWaalsContact CB-OE2 3.25Å; P288-E290 WeakPolarHBondContact CB-OE2 3.12Å; P288-E290 PolarHBondContact O-N 2.92Å; P288-N291 WeakPolarHBondContact O-CB 3.33Å; P288-N291 PolarHBondContact O-N 3.46Å
289	L	32.3	Very low	36.1	Very low	136 Å²	136	104.4 Å²	104.4	71%	0.712	53%	0.53	S	S	*	.	H	α-helix	trans	-61.9	-28.1	174.6	-87.5	79.9	0	0	0	111.6	N291 F293	L289-N291 PolarHBondContact O-N 2.86Å; L289-F293 PolarHBondContact O-N 3.3Å
290	E	38.8	Very low	36.1	Very low	54 Å²	54	102.3 Å²	102.3	25%	0.252	52%	0.52	S	S	.	.	H	α-helix	trans	-60.6	-23.2	171.6	-64.9	73.5	-156.7	0	0	113.4	P288 P294	P288-E290 HydrophobicContact CB-CB 4.46Å; P288-E290 VanDerWaalsContact CB-OE2 3.25Å; P288-E290 WeakPolarHBondContact CB-OE2 3.12Å; P288-E290 PolarHBondContact O-N 2.92Å; E290-P294 VanDerWaalsContact O-CA 3.23Å; E290-P294 WeakPolarHBondContact O-CA 3.33Å; E290-P294 WeakPolarHBondContact O-CB 3.32Å; E290-P294 WeakPolarHBondContact O-CD 3.13Å
291	N	37.4	Very low	36.5	Very low	89 Å²	89	97.9 Å²	97.9	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-80.4	-33.7	-176.2	-75.1	29.8	0	0	0	113.5	Q287 P288 L289	Q287-N291 HydrophobicContact CB-CB 3.93Å; Q287-N291 PolarHBondContact OE1-ND2 3.28Å; P288-N291 WeakPolarHBondContact O-CB 3.33Å; P288-N291 PolarHBondContact O-N 3.46Å; L289-N291 PolarHBondContact O-N 2.86Å
292	Y	31	Very low	37.1	Very low	160 Å²	160	95.5 Å²	95.5	63%	0.627	49%	0.492	S	S	*	.	H	α-helix	trans	-83.8	-31.8	179	-73.7	-75	0	0	0	112.4	Q287	Q287-Y292 HydrophobicContact CB-CE2 4.01Å
293	F	32.6	Very low	37.2	Very low	140 Å²	140	94.4 Å²	94.4	61%	0.614	49%	0.486	S	S	*	.			trans	-150.7	84.1	178	-60.7	-85.9	0	0	0	110.8	L289 D295 Y296	L289-F293 PolarHBondContact O-N 3.3Å; F293-D295 VanDerWaalsContact C-N 3.3Å; F293-D295 PolarHBondContact O-N 3.5Å; F293-Y296 HydrophobicContact CB-CD2 4.32Å; F293-Y296 HydrophobicContact CB-CG 4.36Å; F293-Y296 WeakPolarHBondContact O-CB 3.44Å; F293-Y296 PolarHBondContact O-N 3.22Å; F293-Y296 VanDerWaalsContact O-N 3.08Å
294	P	39.1	Very low	37.5	Very low	81 Å²	81	90 Å²	90	53%	0.526	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.1	-176.1	20.3	-32	0	0	0	112.9	E290 Y296 P297	E290-P294 VanDerWaalsContact O-CA 3.23Å; E290-P294 WeakPolarHBondContact O-CA 3.33Å; E290-P294 WeakPolarHBondContact O-CB 3.32Å; E290-P294 WeakPolarHBondContact O-CD 3.13Å; P294-Y296 PolarHBondContact O-N 2.75Å; P294-P297 WeakPolarHBondContact O-CD 3.49Å
295	D	43.4	Very low	38.2	Very low	54 Å²	54	89.1 Å²	89.1	29%	0.289	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3	-178.6	-51.4	-21.5	0	0	0	113.7	F293 E298 I299	F293-D295 VanDerWaalsContact C-N 3.3Å; F293-D295 PolarHBondContact O-N 3.5Å; D295-E298 PolarHBondContact O-N 2.85Å; D295-I299 HydrophobicContact CB-CD1 3.68Å; D295-I299 HydrophobicContact CB-CG1 4.07Å; D295-I299 WeakPolarHBondContact O-CB 3.24Å; D295-I299 WeakPolarHBondContact O-CG1 3.22Å; D295-I299 PolarHBondContact O-N 2.94Å
296	Y	36.3	Very low	38.3	Very low	123 Å²	123	90.1 Å²	90.1	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-56.9	-43.9	-169.4	-175	-101.8	0	0	0	115.2	F293 P294 E298 Q300	F293-Y296 HydrophobicContact CB-CD2 4.32Å; F293-Y296 HydrophobicContact CB-CG 4.36Å; F293-Y296 WeakPolarHBondContact O-CB 3.44Å; F293-Y296 PolarHBondContact O-N 3.22Å; F293-Y296 VanDerWaalsContact O-N 3.08Å; P294-Y296 PolarHBondContact O-N 2.75Å; Y296-E298 PolarHBondContact O-N 3.47Å; Y296-Q300 VanDerWaalsContact CE1-NE2 3.31Å; Y296-Q300 WeakPolarHBondContact O-CG 3.42Å; Y296-Q300 PolarHBondContact O-N 3.02Å; Y296-Q300 VanDerWaalsContact O-N 3.13Å
297	P	39.7	Very low	38.2	Very low	69 Å²	69	86.7 Å²	86.7	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-66.5	-26.4	177.2	-17.2	32.2	0	0	0	112.5	P294 A301	P294-P297 WeakPolarHBondContact O-CD 3.49Å; P297-A301 WeakPolarHBondContact O-CB 3.25Å; P297-A301 PolarHBondContact O-N 2.97Å
298	E	47	Very low	37.8	Very low	15 Å²	15	85.4 Å²	85.4	7%	0.07	43%	0.429	C	S	.	.	H	α-helix	trans	-96.5	-34.3	-164.3	-55	176.4	138	0	0	110.2	H156 M210 D295 Y296 A301 S302	H156-E298 IonicContact CD2-OE1 2.63Å; H156-E298 IonicContact CE1-OE1 2.86Å; H156-E298 IonicContact CE1-OE2 3.53Å; H156-E298 PolarHBondContact CE1-OE2 2.99Å; H156-E298 IonicContact ND1-OE2 2.66Å; H156-E298 IonicContact NE2-OE1 3.7Å; H156-E298 PolarHBondContact NE2-OE1 2.95Å; H156-E298 IonicContact NE2-OE2 3.85Å; H156-E298 PolarHBondContact NE2-OE2 3.36Å; M210-E298 HydrophobicContact CE-CB 3.95Å; M210-E298 HydrophobicContact CE-CG 3.71Å; M210-E298 WeakPolarHBondContact CE-OE1 3.31Å; M210-E298 HydrophobicContact CG-CG 4.32Å; M210-E298 WeakPolarHBondContact CG-OE1 3.13Å; M210-E298 HydrophobicContact SD-CB 4.44Å; M210-E298 HydrophobicContact SD-CG 3.91Å; D295-E298 PolarHBondContact O-N 2.85Å; Y296-E298 PolarHBondContact O-N 3.47Å; E298-A301 PolarHBondContact O-N 2.78Å; E298-S302 WeakPolarHBondContact O-CB 3.09Å; E298-S302 PolarHBondContact O-N 3.01Å; E298-S302 PolarHBondContact O-OG 3.16Å
299	I	40	Very low	37.6	Very low	82 Å²	82	89.1 Å²	89.1	42%	0.421	45%	0.446	S	S	.	.	H	α-helix	trans	-57.9	-47.9	157.9	-67.9	167.5	0	0	0	109.8	D295 A301 S302 I303	D295-I299 HydrophobicContact CB-CD1 3.68Å; D295-I299 HydrophobicContact CB-CG1 4.07Å; D295-I299 WeakPolarHBondContact O-CB 3.24Å; D295-I299 WeakPolarHBondContact O-CG1 3.22Å; D295-I299 PolarHBondContact O-N 2.94Å; I299-A301 PolarHBondContact O-N 2.85Å; I299-S302 PolarHBondContact O-N 2.79Å; I299-I303 HydrophobicContact CG2-CD1 3.73Å; I299-I303 HydrophobicContact CG2-CG1 4.49Å; I299-I303 VanDerWaalsContact O-CG1 3.3Å; I299-I303 WeakPolarHBondContact O-CG1 3.36Å; I299-I303 PolarHBondContact O-N 2.86Å
300	Q	38.1	Very low	37.5	Very low	69 Å²	69	88 Å²	88	32%	0.322	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.1	-81.3	-157.6	42.7	0	0	113.2	Y296 S302 K304	Y296-Q300 VanDerWaalsContact CE1-NE2 3.31Å; Y296-Q300 WeakPolarHBondContact O-CG 3.42Å; Y296-Q300 PolarHBondContact O-N 3.02Å; Y296-Q300 VanDerWaalsContact O-N 3.13Å; Q300-S302 VanDerWaalsContact C-N 3.32Å; Q300-K304 WeakPolarHBondContact O-CB 3.47Å; Q300-K304 WeakPolarHBondContact O-CD 3.36Å; Q300-K304 WeakPolarHBondContact O-CG 3.3Å; Q300-K304 PolarHBondContact O-N 3.16Å
301	A	41.4	Very low	37	Very low	26 Å²	26	88.7 Å²	88.7	22%	0.215	45%	0.452	C	S	.	.	H	α-helix	trans	-66	-35.4	176.8	0	0	0	0	0	112.1	P297 E298 I299 K305	P297-A301 WeakPolarHBondContact O-CB 3.25Å; P297-A301 PolarHBondContact O-N 2.97Å; E298-A301 PolarHBondContact O-N 2.78Å; I299-A301 PolarHBondContact O-N 2.85Å; A301-K305 WeakPolarHBondContact O-CB 3.38Å; A301-K305 WeakPolarHBondContact O-CG 3.48Å; A301-K305 PolarHBondContact O-N 3.24Å; A301-K305 VanDerWaalsContact O-N 3.08Å
302	S	46	Very low	36.6	Very low	54 Å²	54	91.1 Å²	91.1	38%	0.378	47%	0.465	S	S	.	.	H	α-helix	trans	-68.6	-50.4	176.3	-57.1	0	0	0	0	111.4	E298 I299 Q300 K304 K305 E306	E298-S302 WeakPolarHBondContact O-CB 3.09Å; E298-S302 PolarHBondContact O-N 3.01Å; E298-S302 PolarHBondContact O-OG 3.16Å; I299-S302 PolarHBondContact O-N 2.79Å; Q300-S302 VanDerWaalsContact C-N 3.32Å; S302-K304 PolarHBondContact O-N 2.86Å; S302-K305 PolarHBondContact O-N 2.77Å; S302-E306 PolarHBondContact O-N 3.19Å
303	I	33.3	Very low	36.5	Very low	111 Å²	111	93.1 Å²	93.1	57%	0.569	48%	0.477	S	S	*	.	H	α-helix	trans	-55.1	-38.6	174.9	-68.7	166.2	0	0	0	111.4	I299 S307	I299-I303 HydrophobicContact CG2-CD1 3.73Å; I299-I303 HydrophobicContact CG2-CG1 4.49Å; I299-I303 VanDerWaalsContact O-CG1 3.3Å; I299-I303 WeakPolarHBondContact O-CG1 3.36Å; I299-I303 PolarHBondContact O-N 2.86Å; I303-S307 PolarHBondContact O-OG 2.75Å
304	K	39	Very low	36.3	Very low	73 Å²	73	91.2 Å²	91.2	32%	0.317	48%	0.476	S	S	.	.	H	α-helix	trans	-81.9	-8	177.2	-68.4	166	178.3	159.9	0	114.5	Q300 S302 S307 H325 L326	Q300-K304 WeakPolarHBondContact O-CB 3.47Å; Q300-K304 WeakPolarHBondContact O-CD 3.36Å; Q300-K304 WeakPolarHBondContact O-CG 3.3Å; Q300-K304 PolarHBondContact O-N 3.16Å; S302-K304 PolarHBondContact O-N 2.86Å; K304-S307 WeakPolarHBondContact CA-OG 3.48Å; K304-H325 CarbonylContact O-C 3.5Å; K304-H325 VanDerWaalsContact O-C 3.24Å; K304-H325 VanDerWaalsContact O-O 3.11Å; K304-L326 HydrophobicContact CB-CD1 3.71Å; K304-L326 HydrophobicContact CB-CG 3.79Å; K304-L326 WeakPolarHBondContact O-CD1 3.33Å; K304-L326 PolarHBondContact O-N 2.95Å
305	K	44.2	Very low	35.9	Very low	107 Å²	107	93.7 Å²	93.7	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-100.2	-38.8	173.7	-83	-177.5	-178.6	169.7	0	113	A301 S302 S307 K308 L326	A301-K305 WeakPolarHBondContact O-CB 3.38Å; A301-K305 WeakPolarHBondContact O-CG 3.48Å; A301-K305 PolarHBondContact O-N 3.24Å; A301-K305 VanDerWaalsContact O-N 3.08Å; S302-K305 PolarHBondContact O-N 2.77Å; K305-S307 VanDerWaalsContact C-N 3.29Å; K305-S307 PolarHBondContact O-N 3.06Å; K305-K308 WeakPolarHBondContact O-CA 2.83Å; K305-K308 WeakPolarHBondContact O-CB 3.49Å; K305-K308 PolarHBondContact O-N 2.89Å; K305-L326 HydrophobicContact CG-CD1 3.57Å
306	E	36.1	Very low	35.1	Very low	165 Å²	165	96.7 Å²	96.7	77%	0.771	51%	0.51	S	S	*	.	H	α-helix	trans	-70.4	-28.4	177.8	-66.6	-161.3	124.8	0	0	112.4	S302 K308 L309	S302-E306 PolarHBondContact O-N 3.19Å; E306-K308 PolarHBondContact O-N 3.45Å; E306-L309 PolarHBondContact O-N 2.82Å
307	S	32.6	Very low	34.7	Very low	58 Å²	58	100.4 Å²	100.4	41%	0.406	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	2.5	164.7	47.9	0	0	0	0	114.3	I303 K304 K305 L323	I303-S307 PolarHBondContact O-OG 2.75Å; K304-S307 WeakPolarHBondContact CA-OG 3.48Å; K305-S307 VanDerWaalsContact C-N 3.29Å; K305-S307 PolarHBondContact O-N 3.06Å; S307-L323 WeakPolarHBondContact O-CD2 3.42Å
308	K	31.7	Very low	34.1	Very low	82 Å²	82	106.9 Å²	106.9	36%	0.357	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.5	15.6	177.8	-139.3	173.9	-150	173.2	0	115.9	K305 E306 P310 L323 N324 H325 L326	K305-K308 WeakPolarHBondContact O-CA 2.83Å; K305-K308 WeakPolarHBondContact O-CB 3.49Å; K305-K308 PolarHBondContact O-N 2.89Å; E306-K308 PolarHBondContact O-N 3.45Å; K308-P310 WeakPolarHBondContact O-CD 3.2Å; K308-P310 VanDerWaalsContact O-N 3.17Å; K308-L323 WeakPolarHBondContact CE-O 3.3Å; K308-L323 HydrophobicContact CG-CB 4.44Å; K308-L323 WeakPolarHBondContact CG-O 3.31Å; K308-N324 WeakPolarHBondContact CE-OD1 3.4Å; K308-N324 PolarHBondContact NZ-OD1 3.33Å; K308-H325 WeakPolarHBondContact CB-O 3.34Å; K308-H325 WeakPolarHBondContact CD-O 3.48Å; K308-H325 VanDerWaalsContact CE-O 3.22Å; K308-H325 WeakPolarHBondContact CE-O 3.2Å; K308-H325 WeakPolarHBondContact CG-O 3.14Å; K308-L326 PolarHBondContact NZ-O 3.24Å
309	L	30.6	Very low	33.1	Very low	123 Å²	123	110 Å²	110	64%	0.644	58%	0.578	S	S	*	*			trans	-54	105.8	-178.9	-170.4	157.3	0	0	0	113.9	E306 N311 L323	E306-L309 PolarHBondContact O-N 2.82Å; L309-N311 PolarHBondContact O-N 3.21Å; L309-L323 HydrophobicContact CB-CD2 4.26Å; L309-L323 VanDerWaalsContact O-CD1 3.28Å; L309-L323 WeakPolarHBondContact O-CD1 3.33Å; L309-L323 WeakPolarHBondContact O-CD2 3.46Å; L309-L323 WeakPolarHBondContact O-CG 3.25Å
310	P	28.8	Very low	32.6	Very low	112 Å²	112	112.1 Å²	112.1	73%	0.727	60%	0.596	S	S	*	*			trans	-62.9	137.1	-172.2	-24.3	35.7	0	0	0	113.7	K308 L312	K308-P310 WeakPolarHBondContact O-CD 3.2Å; K308-P310 VanDerWaalsContact O-N 3.17Å; P310-L312 PolarHBondContact O-N 3.36Å
311	N	29.5	Very low	32.4	Very low	70 Å²	70	115.5 Å²	115.5	37%	0.374	61%	0.609	S	S	.	*			trans	-55.9	135.7	-165.6	-128.5	39.1	0	0	0	114.9	L309 K313 K321	L309-N311 PolarHBondContact O-N 3.21Å; N311-K313 PolarHBondContact O-N 2.92Å; N311-K313 VanDerWaalsContact O-N 3.1Å; N311-K321 VanDerWaalsContact CB-O 3.24Å; N311-K321 WeakPolarHBondContact CB-O 3.45Å; N311-K321 PolarHBondContact ND2-N 3.12Å
312	L	28.5	Very low	31.7	Very low	140 Å²	140	119.9 Å²	119.9	73%	0.733	64%	0.635	S	S	*	*			trans	-52.4	111.5	158.4	-158.1	74.1	0	0	0	109.6	P310 T314	P310-L312 PolarHBondContact O-N 3.36Å; L312-T314 VanDerWaalsContact C-N 3.33Å; L312-T314 HydrophobicContact CD2-CG2 3.91Å; L312-T314 HydrophobicContact CG-CG2 4.26Å; L312-T314 PolarHBondContact O-N 2.76Å; L312-T314 VanDerWaalsContact O-N 3.16Å
313	K	28	Very low	30.8	Very low	202 Å²	202	120 Å²	120	88%	0.878	63%	0.632	S	S	*	*			trans	-85	80.7	169.6	-104.3	-171	177	-179.2	0	109.6	N311	N311-K313 PolarHBondContact O-N 2.92Å; N311-K313 VanDerWaalsContact O-N 3.1Å
314	T	29.7	Very low	30.5	Very low	99 Å²	99	118.7 Å²	118.7	61%	0.607	63%	0.626	S	S	*	*			trans	-62.7	137.5	165.3	42.2	0	0	0	0	111	L312	L312-T314 VanDerWaalsContact C-N 3.33Å; L312-T314 HydrophobicContact CD2-CG2 3.91Å; L312-T314 HydrophobicContact CG-CG2 4.26Å; L312-T314 PolarHBondContact O-N 2.76Å; L312-T314 VanDerWaalsContact O-N 3.16Å
315	T	28.9	Very low	29.8	Very low	134 Å²	134	120.4 Å²	120.4	82%	0.822	64%	0.635	S	S	*	*	S	Bend	trans	-61.2	128.4	145.8	39.4	0	0	0	0	107.3
316	T	27.5	Very low	28.9	Very low	116 Å²	116	118.6 Å²	118.6	71%	0.712	63%	0.629	S	S	*	*	S	Bend	cis	-145.4	165	6.6	57.4	0	0	0	0	111.5	K318	T316-K318 PolarHBondContact O-N 3.25Å
317	K	27.7	Very low	28.4	Very low	202 Å²	202	113.7 Å²	113.7	88%	0.878	61%	0.613	S	S	*	*	S	Bend	trans	38.3	67.1	163.8	-68.7	-173.4	175.8	179	0	118.2
318	K	26.8	Very low	28	Very low	205 Å²	205	118.9 Å²	118.9	89%	0.891	63%	0.629	S	S	*	*			trans	177.9	164.2	140.6	-101.9	159	-176.1	-179	0	112.8	T316	T316-K318 PolarHBondContact O-N 3.25Å
319	A	25.7	Very low	27.7	Very low	79 Å²	79	126.8 Å²	126.8	65%	0.653	66%	0.657	S	S	*	*			trans	49.6	87.1	160.5	0	0	0	0	0	118.4
320	T	30.3	Very low	27.5	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	67%	0.67	S	S	*	*			trans	-57.7	132.6	148	44.6	0	0	0	0	110.9
321	K	33.8	Very low	27.3	Very low	139 Å²	139	129.2 Å²	129.2	60%	0.604	67%	0.67	S	S	*	*			trans	-121.7	112.3	151.4	-61.8	-176.5	177.8	-176.7	0	108.6	N311 L323	N311-K321 VanDerWaalsContact CB-O 3.24Å; N311-K321 WeakPolarHBondContact CB-O 3.45Å; N311-K321 PolarHBondContact ND2-N 3.12Å; K321-L323 HydrophobicContact CB-CD1 4.1Å
322	P	27.1	Very low	27.1	Very low	119 Å²	119	133 Å²	133	77%	0.773	69%	0.69	S	S	*	*			trans	-65.8	148.9	152.9	32.8	-32.6	0	0	0	107.3
323	L	26.3	Very low	27	Very low	57 Å²	57	134.9 Å²	134.9	30%	0.298	70%	0.695	S	S	.	*			trans	-103	142.8	175	-89.8	81.3	0	0	0	112.9	S307 K308 L309 K321	S307-L323 WeakPolarHBondContact O-CD2 3.42Å; K308-L323 WeakPolarHBondContact CE-O 3.3Å; K308-L323 HydrophobicContact CG-CB 4.44Å; K308-L323 WeakPolarHBondContact CG-O 3.31Å; L309-L323 HydrophobicContact CB-CD2 4.26Å; L309-L323 VanDerWaalsContact O-CD1 3.28Å; L309-L323 WeakPolarHBondContact O-CD1 3.33Å; L309-L323 WeakPolarHBondContact O-CD2 3.46Å; L309-L323 WeakPolarHBondContact O-CG 3.25Å; K321-L323 HydrophobicContact CB-CD1 4.1Å
324	N	27.2	Very low	27	Very low	83 Å²	83	130.2 Å²	130.2	44%	0.444	69%	0.686	S	S	.	*			trans	-158.5	148.6	-175.4	-155.6	63.1	0	0	0	109.3	K308 L326 S327	K308-N324 WeakPolarHBondContact CE-OD1 3.4Å; K308-N324 PolarHBondContact NZ-OD1 3.33Å; N324-L326 PolarHBondContact OD1-O 3.21Å; N324-S327 PolarHBondContact ND2-OG 3.24Å
325	H	25.6	Very low	26.8	Very low	109 Å²	109	132.3 Å²	132.3	51%	0.505	69%	0.691	S	S	.	*			cis	-87.7	-162.5	12.5	-58.1	-91.6	0	0	0	112.2	K304 K308 S327	K304-H325 CarbonylContact O-C 3.5Å; K304-H325 VanDerWaalsContact O-C 3.24Å; K304-H325 VanDerWaalsContact O-O 3.11Å; K308-H325 WeakPolarHBondContact CB-O 3.34Å; K308-H325 WeakPolarHBondContact CD-O 3.48Å; K308-H325 VanDerWaalsContact CE-O 3.22Å; K308-H325 WeakPolarHBondContact CE-O 3.2Å; K308-H325 WeakPolarHBondContact CG-O 3.14Å; H325-S327 PolarHBondContact ND1-OG 3.39Å
326	L	24.4	Very low	26.9	Very low	68 Å²	68	135.2 Å²	135.2	36%	0.356	69%	0.693	S	S	.	*			cis	-53	145.9	-11.5	-80.2	102.1	0	0	0	113.5	K304 K305 K308 N324	K304-L326 HydrophobicContact CB-CD1 3.71Å; K304-L326 HydrophobicContact CB-CG 3.79Å; K304-L326 WeakPolarHBondContact O-CD1 3.33Å; K304-L326 PolarHBondContact O-N 2.95Å; K305-L326 HydrophobicContact CG-CD1 3.57Å; K308-L326 PolarHBondContact NZ-O 3.24Å; N324-L326 PolarHBondContact OD1-O 3.21Å
327	S	25.7	Very low	27.1	Very low	62 Å²	62	140.4 Å²	140.4	43%	0.434	70%	0.701	S	S	.	*			trans	-155	106.3	159.6	55	0	0	0	0	108.2	N324 H325	N324-S327 PolarHBondContact ND2-OG 3.24Å; H325-S327 PolarHBondContact ND1-OG 3.39Å
328	F	24.9	Very low	27.3	Very low	168 Å²	168	136 Å²	136	74%	0.737	69%	0.693	S	S	*	*			trans	-137.3	156.2	172.9	-94.7	-97.9	0	0	0	107.7
329	W	25.2	Very low	27.6	Very low	247 Å²	247	132.1 Å²	132.1	94%	0.936	68%	0.682	S	S	*	*			trans	69	70.4	-169	-55.4	97.3	0	0	0	115.4
330	H	25.8	Very low	27.9	Very low	199 Å²	199	136.8 Å²	136.8	92%	0.921	69%	0.688	S	S	*	*			trans	-124.7	109.8	150.3	-90.6	-47.5	0	0	0	109.5
331	A	24.3	Very low	27.9	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	69%	0.685	S	S	*	*			trans	-156.9	72.7	167	0	0	0	0	0	110.9
332	N	25.2	Very low	27.7	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	70%	0.696	S	S	*	*	S	Bend	trans	149.9	157.5	133.1	-71.4	-19.7	0	0	0	113.9
333	Q	26.7	Very low	27.7	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	70%	0.695	S	S	*	*			trans	68.1	104.8	175	-48.2	-56.6	-8.1	0	0	118
334	P	27.6	Very low	27.9	Very low	105 Å²	105	144.1 Å²	144.1	68%	0.682	71%	0.712	S	S	*	*			trans	-103.2	164.3	167.3	37.4	-29.9	0	0	0	113.1
335	I	26.2	Very low	27.8	Very low	142 Å²	142	150.2 Å²	150.2	73%	0.728	73%	0.73	S	S	*	*			trans	159.6	120.2	131.4	-84.3	159.7	0	0	0	114.9
336	K	30	Very low	28	Very low	196 Å²	196	153 Å²	153	85%	0.852	74%	0.744	S	S	*	*			trans	58.2	138.6	150.6	-64.9	169.8	-165.8	172.6	0	122.8
337	Y	32.8	Very low	28.1	Very low	225 Å²	225	154.5 Å²	154.5	88%	0.882	76%	0.76	S	S	*	*			trans	-130.6	154.4	170.2	-96.1	-75.2	0	0	0	113.5
338	P	31.9	Very low	28.2	Very low	110 Å²	110	158.4 Å²	158.4	71%	0.714	77%	0.774	S	S	*	*			trans	-108.2	-162.7	153.4	40.3	-31.3	0	0	0	112.6
339	N	32.3	Very low	28.7	Very low	123 Å²	123	156.6 Å²	156.6	66%	0.658	77%	0.772	S	S	*	*				-159.8	135.2	-90.5	-131	-109.1	0	0	0	112.4
340	K	32.8	Very low	28.9	Very low	177 Å²	177	151.2 Å²	151.2	77%	0.77	76%	0.762	S	S	*	*			trans	69.1	154.3	157.8	-64.1	178.5	-178.8	-178	0	118.3
341	T	30.2	Very low	29.4	Very low	118 Å²	118	150.3 Å²	150.3	72%	0.724	76%	0.755	S	S	*	*			cis	-160.8	130.1	-4.5	10.7	0	0	0	0	113.8
342	E	29.2	Very low	29.9	Very low	180 Å²	180	153 Å²	153	84%	0.841	75%	0.753	S	S	*	*			trans	45.7	-167	158.7	-57.4	-159.4	57.9	0	0	119.6
343	I	26.9	Very low	30.3	Very low	149 Å²	149	151.6 Å²	151.6	76%	0.764	74%	0.741	S	S	*	*			cis	-156.2	179.3	5.2	-156.9	159.5	0	0	0	108.1
344	K	30.5	Very low	30.7	Very low	150 Å²	150	150.4 Å²	150.4	65%	0.652	73%	0.734	S	S	*	*			cis	-155.7	-163.8	13.2	-165.8	-131.1	165.9	-159.5	0	109.9
345	Y	24.8	Very low	30.8	Very low	210 Å²	210	152.4 Å²	152.4	82%	0.824	74%	0.738	S	S	*	*			trans	-133.1	156	176.7	-75.1	-103	0	0	0	113.7
346	Q	30.4	Very low	31	Very low	169 Å²	169	150.3 Å²	150.3	79%	0.79	74%	0.736	S	S	*	*				171.6	-169.8	127.6	-94	167.2	-24.6	0	0	113.9
347	S	27.6	Very low	31	Very low	99 Å²	99	150.8 Å²	150.8	69%	0.692	73%	0.734	S	S	*	*			trans	-155.4	-174.4	-145.3	48.4	0	0	0	0	115.7
348	I	27.9	Very low	30.8	Very low	143 Å²	143	147.9 Å²	147.9	73%	0.733	73%	0.728	S	S	*	*			trans	114.8	132.5	149.3	-66.4	158	0	0	0	121.4
349	N	34.1	Very low	30.9	Very low	130 Å²	130	147.2 Å²	147.2	70%	0.695	72%	0.724	S	S	*	*			trans	78.2	116.6	151.2	-77.1	-8.5	0	0	0	128.1
350	N	30.5	Very low	30.9	Very low	134 Å²	134	151 Å²	151	72%	0.717	74%	0.735	S	S	*	*				48.8	136.2	114.6	-54.2	-12.1	0	0	0	125.1
351	K	35.4	Very low	30.7	Very low	181 Å²	181	148.1 Å²	148.1	79%	0.787	74%	0.737	S	S	*	*				177.3	139.9	111.2	-100.5	174.8	170.3	-169.7	0	116.9
352	Q	35.5	Very low	30.8	Very low	143 Å²	143	148 Å²	148	67%	0.668	74%	0.738	S	S	*	*			trans	60.3	152.4	138.9	-71.8	-179.7	-83.1	0	0	122.2
353	E	33.3	Very low	30.8	Very low	119 Å²	119	151.3 Å²	151.3	56%	0.556	74%	0.742	S	S	*	*			cis	-171.4	157.8	-25.1	-125.9	-167.9	132.1	0	0	112.3
354	K	35.1	Very low	30.8	Very low	156 Å²	156	151.5 Å²	151.5	68%	0.678	74%	0.74	S	S	*	*			trans	65.8	152	154.5	-66.1	170.6	172.1	117.5	0	118.8
355	L	30.7	Very low	30.6	Very low	147 Å²	147	151.6 Å²	151.6	77%	0.77	74%	0.743	S	S	*	*			cis	-164.5	158.1	-14	-116.6	169.1	0	0	0	112.7
356	S	29	Very low	30.8	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	74%	0.741	S	S	*	*			trans	108.9	109.8	140.6	-146.9	0	0	0	0	123.9
357	Y	29.6	Very low	30.5	Very low	206 Å²	206	147.3 Å²	147.3	81%	0.808	74%	0.739	S	S	*	*			trans	36.1	146.6	134.9	-71.6	-110.5	0	0	0	123.2
358	Q	29.5	Very low	30.4	Very low	164 Å²	164	149.7 Å²	149.7	77%	0.766	74%	0.743	S	S	*	*			cis	-166.1	173.5	-15.2	-105.5	-73.2	-68.1	0	0	108.8
359	P	33.9	Very low	30.2	Very low	96 Å²	96	147.1 Å²	147.1	62%	0.623	74%	0.738	S	S	*	*			trans	-119.7	-167.1	-160.9	45.6	-36.7	0	0	0	116
360	K	32.6	Very low	29.7	Very low	203 Å²	203	148.4 Å²	148.4	88%	0.883	74%	0.743	S	S	*	*			trans	-164.7	116.9	150.4	-110.7	158.5	-172.5	176.3	0	117.8
361	S	28.6	Very low	29.3	Very low	116 Å²	116	146.2 Å²	146.2	81%	0.811	74%	0.738	S	S	*	*			trans	72	144.4	132.7	-143.9	0	0	0	0	124
362	P	31.7	Very low	28.8	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	74%	0.739	S	S	*	*			trans	-127.4	-173.1	-176.1	46.1	-33.4	0	0	0	115.7
363	R	29.5	Very low	28.3	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	74%	0.743	S	S	*	*			trans	-164.6	172.9	141.3	-119.5	175.9	178.6	166.2	-0.1	114.8
364	E	27.4	Very low	27.9	Very low	154 Å²	154	142 Å²	142	72%	0.72	75%	0.749	S	S	*	*			trans	-132.5	175	-164.6	-47.1	165.8	65.6	0	0	114.2
365	Q	26.2	Very low	27.6	Very low	152 Å²	152	142.7 Å²	142.7	71%	0.71	76%	0.76	S	S	*	*			trans	68.6	148	153.9	-70	166.3	41.6	0	0	117
366	L	27.9	Very low	27.3	Very low	148 Å²	148	143.4 Å²	143.4	78%	0.775	77%	0.765	S	S	*	*			cis	-155.6	168.9	41	-126.2	139	0	0	0	113.4
367	D	23.7	Very low	27.4	Very low	141 Å²	141	148.4 Å²	148.4	75%	0.754	77%	0.774	S	S	*	*			trans	-82.7	170	179.6	-59.6	-87.2	0	0	0	116
368	L	26.4	Very low	27.1	Very low	148 Å²	148	148.7 Å²	148.7	78%	0.775	78%	0.779	S	S	*	*				-178.4	126.1	115.9	-115.1	75.4	0	0	0	115.5
369	S	23.3	Very low	26.9	Very low	89 Å²	89	148.7 Å²	148.7	62%	0.622	78%	0.784	S	S	*	*				26.6	154.1	129.2	65.6	0	0	0	0	123.8
370	I	23.5	Very low	26.5	Very low	157 Å²	157	152.8 Å²	152.8	81%	0.805	80%	0.795	S	S	*	*			cis	-171.4	168	-20.6	-110.6	156.6	0	0	0	109.2
371	S	23.5	Very low	26.2	Very low	88 Å²	88	149.1 Å²	149.1	62%	0.615	79%	0.792	S	S	*	*			trans	-13.7	162.4	169.7	78.9	0	0	0	0	121.3
372	N	23.7	Very low	25.9	Very low	152 Å²	152	150 Å²	150	81%	0.813	79%	0.786	S	S	*	*				-176.2	-179.4	61	-136.2	-20.8	0	0	0	115.6
373	S	25.5	Very low	25.7	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	77%	0.766	S	S	*	*			trans	77.9	150.3	167.6	-163.4	0	0	0	0	118.4
374	S	25.1	Very low	25.7	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	75%	0.754	S	S	*	*				-174.4	132.5	-76.4	56	0	0	0	0	109.5
375	N	28.2	Very low	25.7	Very low	170 Å²	170	139.4 Å²	139.4	91%	0.909	74%	0.742	S	S	*	*			trans	-166.7	105.1	162.9	-112.8	-42.9	0	0	0	111.3
376	N	24.6	Very low	26	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	73%	0.727	S	S	*	*			trans	-96.8	114.7	-179	-90.5	-41.8	0	0	0	111.4
377	K	30.4	Very low	26	Very low	203 Å²	203	131.9 Å²	131.9	88%	0.883	71%	0.707	S	S	*	*			trans	-125.2	109.1	153.7	-75.9	-171.1	176.3	-178.2	0	108.6	L379	K377-L379 PolarHBondContact O-N 2.86Å; K377-L379 VanDerWaalsContact O-N 3.16Å
378	K	24.8	Very low	26.3	Very low	211 Å²	211	132 Å²	132	92%	0.917	70%	0.701	S	S	*	*			trans	-68.4	107.9	175.5	-77	-176.7	175.4	179.3	0	109.5
379	L	23.8	Very low	26.7	Very low	165 Å²	165	131.5 Å²	131.5	86%	0.864	70%	0.695	S	S	*	*			trans	-78.1	135.6	157.8	-70.8	168	0	0	0	108.5	K377	K377-L379 PolarHBondContact O-N 2.86Å; K377-L379 VanDerWaalsContact O-N 3.16Å
380	Q	25.9	Very low	27.2	Very low	182 Å²	182	132.4 Å²	132.4	85%	0.85	69%	0.693	S	S	*	*			trans	-72	137.8	171.1	-70.9	-175.1	-12.9	0	0	109.6	L382	Q380-L382 PolarHBondContact O-N 3.42Å; Q380-L382 VanDerWaalsContact O-N 3.15Å
381	P	25.5	Very low	27.8	Very low	126 Å²	126	128.2 Å²	128.2	82%	0.818	67%	0.672	S	S	*	*			trans	-73.3	108.4	179.7	29	-33	0	0	0	110.4	C383	P381-C383 PolarHBondContact O-N 3.08Å
382	L	24.1	Very low	28.3	Very low	134 Å²	134	132.7 Å²	132.7	70%	0.702	68%	0.68	S	S	*	*			trans	-52.9	129	170.4	-77.8	161	0	0	0	110.4	Q380	Q380-L382 PolarHBondContact O-N 3.42Å; Q380-L382 VanDerWaalsContact O-N 3.15Å
383	C	27	Very low	28.9	Very low	47 Å²	47	133.5 Å²	133.5	32%	0.318	68%	0.679	S	S	.	*			trans	-73.5	129.7	175.6	170.9	0	0	0	0	109.2	P381 S385 D386	P381-C383 PolarHBondContact O-N 3.08Å; C383-S385 PolarHBondContact O-N 3.32Å; C383-D386 VanDerWaalsContact CB-OD1 3.23Å; C383-D386 WeakPolarHBondContact CB-OD1 3.35Å; C383-D386 WeakPolarHBondContact CB-OD2 3.4Å; C383-D386 WeakPolarHBondContact O-CB 3.43Å; C383-D386 PolarHBondContact O-N 3.23Å; C383-D386 PolarHBondContact SG-OD1 3.33Å
384	W	28.3	Very low	29.2	Very low	182 Å²	182	134.8 Å²	134.8	69%	0.689	67%	0.671	S	S	*	*	H	α-helix	trans	-72	-18.2	-173.8	-80.1	68.7	0	0	0	113.1	D386 L387 F388	W384-D386 VanDerWaalsContact C-N 3.33Å; W384-L387 HydrophobicContact CD2-CD1 4.34Å; W384-L387 HydrophobicContact CE3-CD1 4.48Å; W384-L387 PolarHBondContact O-N 2.99Å; W384-F388 HydrophobicContact CE3-CE2 4.3Å; W384-F388 WeakPolarHBondContact O-CD2 3.33Å; W384-F388 PolarHBondContact O-N 2.77Å
385	S	28.8	Very low	29.3	Very low	67 Å²	67	137.4 Å²	137.4	47%	0.469	68%	0.677	S	S	.	*	H	α-helix	trans	-57.9	-48.5	169.4	-52.5	0	0	0	0	110.7	C383 L387 F388 E389	C383-S385 PolarHBondContact O-N 3.32Å; S385-L387 PolarHBondContact O-N 3.2Å; S385-F388 WeakPolarHBondContact O-CA 3.48Å; S385-F388 PolarHBondContact O-N 3.47Å; S385-E389 PolarHBondContact O-N 3.05Å
386	D	31.7	Very low	29.4	Very low	74 Å²	74	136 Å²	136	40%	0.396	66%	0.66	S	S	.	*	H	α-helix	trans	-61.2	-36.2	-178.3	-35	2.5	0	0	0	110.3	C383 W384 N390	C383-D386 VanDerWaalsContact CB-OD1 3.23Å; C383-D386 WeakPolarHBondContact CB-OD1 3.35Å; C383-D386 WeakPolarHBondContact CB-OD2 3.4Å; C383-D386 WeakPolarHBondContact O-CB 3.43Å; C383-D386 PolarHBondContact O-N 3.23Å; C383-D386 PolarHBondContact SG-OD1 3.33Å; W384-D386 VanDerWaalsContact C-N 3.33Å; D386-N390 WeakPolarHBondContact O-CB 3.4Å; D386-N390 PolarHBondContact O-N 3.04Å; D386-N390 PolarHBondContact O-ND2 2.83Å
387	L	27.5	Very low	29.8	Very low	68 Å²	68	133 Å²	133	36%	0.356	65%	0.652	S	S	.	*	H	α-helix	trans	-69.4	-27.3	173.1	-93.5	165.2	0	0	0	113.7	W384 S385 N391	W384-L387 HydrophobicContact CD2-CD1 4.34Å; W384-L387 HydrophobicContact CE3-CD1 4.48Å; W384-L387 PolarHBondContact O-N 2.99Å; S385-L387 PolarHBondContact O-N 3.2Å; L387-N391 PolarHBondContact O-ND2 3.43Å
388	F	31.7	Very low	29.9	Very low	144 Å²	144	131.3 Å²	131.3	63%	0.632	65%	0.645	S	S	*	*	H	α-helix	trans	-86.7	-27.4	175.6	-80.6	-66.7	0	0	0	113.1	W384 S385	W384-F388 HydrophobicContact CE3-CE2 4.3Å; W384-F388 WeakPolarHBondContact O-CD2 3.33Å; W384-F388 PolarHBondContact O-N 2.77Å; S385-F388 WeakPolarHBondContact O-CA 3.48Å; S385-F388 PolarHBondContact O-N 3.47Å
389	E	34.7	Very low	30.2	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	63%	0.628	S	S	*	*	H	α-helix	trans	-74.7	-46.1	173.4	-69.2	-179.8	166.7	0	0	111.1	S385 N391 K392	S385-E389 PolarHBondContact O-N 3.05Å; E389-N391 PolarHBondContact O-N 2.95Å; E389-N391 VanDerWaalsContact O-N 3.12Å; E389-K392 PolarHBondContact O-N 2.93Å; E389-K392 VanDerWaalsContact O-N 3.09Å
390	N	33.5	Very low	30.5	Very low	108 Å²	108	126.5 Å²	126.5	58%	0.578	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-18.4	176	-80.4	-72.8	0	0	0	114.7	D386	D386-N390 WeakPolarHBondContact O-CB 3.4Å; D386-N390 PolarHBondContact O-N 3.04Å; D386-N390 PolarHBondContact O-ND2 2.83Å
391	N	35	Very low	30.8	Very low	69 Å²	69	124.8 Å²	124.8	37%	0.369	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	-6.8	176.5	-80.9	-54.1	0	0	0	114.2	L387 E389 Q393	L387-N391 PolarHBondContact O-ND2 3.43Å; E389-N391 PolarHBondContact O-N 2.95Å; E389-N391 VanDerWaalsContact O-N 3.12Å; N391-Q393 VanDerWaalsContact C-N 3.34Å
392	K	35.3	Very low	31	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-18.8	173.1	-79.9	-178	174.4	-177.5	0	114.1	E389	E389-K392 PolarHBondContact O-N 2.93Å; E389-K392 VanDerWaalsContact O-N 3.09Å
393	Q	35.6	Very low	31.2	Very low	169 Å²	169	127.3 Å²	127.3	79%	0.79	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	3.4	-174.1	-69.5	-176.4	-22.2	0	0	114.4	N391	N391-Q393 VanDerWaalsContact C-N 3.34Å
394	K	31.1	Very low	31.3	Very low	133 Å²	133	130.1 Å²	130.1	58%	0.578	63%	0.63	S	S	*	*			trans	-98.4	113.6	179.9	-71.1	-175.5	178.2	177.9	0	111.1	Y396	K394-Y396 HydrophobicContact CB-CD2 4.48Å; K394-Y396 HydrophobicContact CB-CE2 4.01Å; K394-Y396 WeakPolarHBondContact O-CD2 3.1Å; K394-Y396 PolarHBondContact O-N 2.88Å; K394-Y396 VanDerWaalsContact O-N 3.08Å
395	N	28.6	Very low	31.2	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	63%	0.634	S	S	*	*			trans	-65.2	104.8	174	-74.5	-28.7	0	0	0	110.6	S397	N395-S397 PolarHBondContact O-N 3.29Å
396	Y	29.5	Very low	31.3	Very low	140 Å²	140	131.8 Å²	131.8	55%	0.549	65%	0.653	S	S	.	*			trans	-80.9	18.7	178.3	-81.9	-81.8	0	0	0	114.3	K394 K398 F399	K394-Y396 HydrophobicContact CB-CD2 4.48Å; K394-Y396 HydrophobicContact CB-CE2 4.01Å; K394-Y396 WeakPolarHBondContact O-CD2 3.1Å; K394-Y396 PolarHBondContact O-N 2.88Å; K394-Y396 VanDerWaalsContact O-N 3.08Å; Y396-K398 PolarHBondContact O-N 3.31Å; Y396-F399 HydrophobicContact CD1-CD2 4.18Å; Y396-F399 PolarHBondContact O-N 3.22Å
397	S	32.4	Very low	31.1	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-6.7	177.2	49.1	0	0	0	0	114.9	N395	N395-S397 PolarHBondContact O-N 3.29Å
398	K	34.1	Very low	31.3	Very low	169 Å²	169	135.5 Å²	135.5	74%	0.735	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	9.9	179.3	-90.3	-167.3	169.9	-170.5	0	116.2	Y396	Y396-K398 PolarHBondContact O-N 3.31Å
399	F	30.6	Very low	31.2	Very low	127 Å²	127	135.2 Å²	135.2	56%	0.557	69%	0.693	S	S	*	*	S	Bend	trans	-96.3	-3.8	178.1	-113	-85.1	0	0	0	115.4	Y396 E401 L402	Y396-F399 HydrophobicContact CD1-CD2 4.18Å; Y396-F399 PolarHBondContact O-N 3.22Å; F399-E401 VanDerWaalsContact C-N 3.31Å; F399-E401 PolarHBondContact O-N 2.88Å; F399-L402 HydrophobicContact CD1-CD1 4.28Å; F399-L402 HydrophobicContact CE1-CD1 3.92Å; F399-L402 HydrophobicContact CZ-CD1 4.35Å
400	N	30.3	Very low	31	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-8	-179	-72.5	-4.5	0	0	0	114.4
401	E	32.1	Very low	31	Very low	145 Å²	145	135.9 Å²	135.9	68%	0.678	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-5.1	-173.3	-62.6	178.7	139.3	0	0	113.9	F399	F399-E401 VanDerWaalsContact C-N 3.31Å; F399-E401 PolarHBondContact O-N 2.88Å
402	L	29.2	Very low	30.7	Very low	118 Å²	118	144 Å²	144	62%	0.618	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	5.5	-173.5	-74.6	171.1	0	0	0	115.3	F399	F399-L402 HydrophobicContact CD1-CD1 4.28Å; F399-L402 HydrophobicContact CE1-CD1 3.92Å; F399-L402 HydrophobicContact CZ-CD1 4.35Å
403	F	28.9	Very low	30.5	Very low	195 Å²	195	139.7 Å²	139.7	86%	0.855	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	37.5	177.2	-71.8	-74.9	0	0	0	113.4
404	T	27.6	Very low	30.3	Very low	107 Å²	107	140.3 Å²	140.3	66%	0.656	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-72.4	125.2	164.9	43.5	0	0	0	0	110.6
405	P	27.5	Very low	30.1	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-81.1	140.2	-178.1	32.1	-34.3	0	0	0	112.3
406	L	29.4	Very low	30.1	Very low	164 Å²	164	139.3 Å²	139.3	86%	0.859	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-87.4	145	162.7	-95.8	69.4	0	0	0	110.3
407	P	28.3	Very low	29.8	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	75%	0.752	S	S	*	*			trans	-97.5	-173.8	-168.3	40	-38.7	0	0	0	114.3
408	S	31	Very low	29.8	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	75%	0.751	S	S	*	*			trans	70.6	133.8	-176.4	71.1	0	0	0	0	115
409	D	30.6	Very low	29.6	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	75%	0.748	S	S	*	*			cis	-152.5	155.5	-8.6	-106.8	-19.5	0	0	0	110.4
410	N	31.1	Very low	29.5	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	74%	0.738	S	S	*	*			trans	48.2	115.6	164.5	-58.6	-49.2	0	0	0	117.6
411	S	32.5	Very low	29.3	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	73%	0.726	S	S	*	*			cis	-166.9	163.6	19.1	58.9	0	0	0	0	112
412	R	29.4	Very low	29.2	Very low	240 Å²	240	135.7 Å²	135.7	91%	0.906	73%	0.727	S	S	*	*			trans	10.9	132.4	163.4	-64.6	174.9	174	168	-3.1	119.1
413	S	30.2	Very low	29.3	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	71%	0.714	S	S	*	*			cis	-179.8	140.8	1.7	49.6	0	0	0	0	113.3
414	H	31	Very low	29.3	Very low	181 Å²	181	129.7 Å²	129.7	84%	0.838	70%	0.704	S	S	*	*			trans	60.9	153	158.8	-54.9	-60.5	0	0	0	121.3
415	S	27.6	Very low	29.5	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	70%	0.703	S	S	*	*				-174.8	131.9	-50.3	45.6	0	0	0	0	115.3
416	I	28.8	Very low	29.4	Very low	171 Å²	171	134 Å²	134	88%	0.877	70%	0.702	S	S	*	*			trans	82.7	163.1	142.3	-63.6	167.3	0	0	0	121.3
417	Y	23.1	Very low	29.4	Very low	226 Å²	226	134.9 Å²	134.9	89%	0.886	70%	0.699	S	S	*	*			trans	-109.3	-123.5	-162.6	-91.3	-113	0	0	0	117.7
418	P	33	Very low	29.8	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	70%	0.703	S	S	*	*				-139.2	177.4	-119.4	45.7	-26.5	0	0	0	122.4
419	S	28.7	Very low	29.7	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	71%	0.708	S	S	*	*			trans	113.7	82	133.7	66.1	0	0	0	0	130
420	F	28.2	Very low	29.9	Very low	78 Å²	78	140 Å²	140	34%	0.342	72%	0.717	S	S	.	*				74	153.6	115.9	-92.9	-112.3	0	0	0	129.6	Y130 S131 Y134 K422	Y130-F420 HydrophobicContact CD1-CB 2.3Å; Y130-F420 AromaticContact CD1-CD1 3.73Å; Y130-F420 HydrophobicContact CD1-CD1 3.73Å; Y130-F420 AromaticContact CD1-CD2 2.6Å; Y130-F420 HydrophobicContact CD1-CD2 2.6Å; Y130-F420 AromaticContact CD1-CE2 3.98Å; Y130-F420 HydrophobicContact CD1-CE2 3.98Å; Y130-F420 AromaticContact CD1-CG 2.29Å; Y130-F420 HydrophobicContact CD1-CG 2.29Å; Y130-F420 VanDerWaalsContact CD1-N 3.3Å; Y130-F420 HydrophobicContact CD2-CB 2.31Å; Y130-F420 AromaticContact CD2-CD1 2.68Å; Y130-F420 HydrophobicContact CD2-CD1 2.68Å; Y130-F420 AromaticContact CD2-CD2 3.7Å; Y130-F420 HydrophobicContact CD2-CD2 3.7Å; Y130-F420 HydrophobicContact CD2-CE1 4.05Å; Y130-F420 AromaticContact CD2-CG 2.3Å; Y130-F420 HydrophobicContact CD2-CG 2.3Å; Y130-F420 HydrophobicContact CE1-CB 2.3Å; Y130-F420 AromaticContact CE1-CD1 3.65Å; Y130-F420 HydrophobicContact CE1-CD1 3.65Å; Y130-F420 AromaticContact CE1-CD2 2.6Å; Y130-F420 HydrophobicContact CE1-CD2 2.6Å; Y130-F420 AromaticContact CE1-CE2 3.87Å; Y130-F420 HydrophobicContact CE1-CE2 3.87Å; Y130-F420 AromaticContact CE1-CG 2.28Å; Y130-F420 HydrophobicContact CE1-CG 2.28Å; Y130-F420 HydrophobicContact CE2-CB 2.29Å; Y130-F420 AromaticContact CE2-CD1 2.57Å; Y130-F420 HydrophobicContact CE2-CD1 2.57Å; Y130-F420 AromaticContact CE2-CD2 3.73Å; Y130-F420 HydrophobicContact CE2-CD2 3.73Å; Y130-F420 AromaticContact CE2-CE1 3.88Å; Y130-F420 HydrophobicContact CE2-CE1 3.88Å; Y130-F420 AromaticContact CE2-CG 2.3Å; Y130-F420 HydrophobicContact CE2-CG 2.3Å; Y130-F420 HydrophobicContact CG-CB 2.33Å; Y130-F420 AromaticContact CG-CD1 3.29Å; Y130-F420 HydrophobicContact CG-CD1 3.29Å; Y130-F420 AromaticContact CG-CD2 3.19Å; Y130-F420 HydrophobicContact CG-CD2 3.19Å; Y130-F420 HydrophobicContact CG-CE2 4.44Å; Y130-F420 AromaticContact CG-CG 2.3Å; Y130-F420 HydrophobicContact CG-CG 2.3Å; Y130-F420 AromaticContact CZ-CD1 3.08Å; Y130-F420 AromaticContact CZ-CD2 3.2Å; Y130-F420 AromaticContact CZ-CG 2.27Å; Y130-F420 WeakPolarHBondContact OH-CA 3.12Å; Y130-F420 WeakPolarHBondContact OH-CB 3.41Å; Y130-F420 WeakPolarHBondContact OH-CG 3.13Å; S131-F420 WeakPolarHBondContact OG-CE2 3.45Å; Y134-F420 AromaticContact CD1-CD1 3.72Å; Y134-F420 HydrophobicContact CD1-CD1 3.72Å; Y134-F420 AromaticContact CD1-CE1 3.93Å; Y134-F420 HydrophobicContact CD1-CE1 3.93Å; Y134-F420 HydrophobicContact CG-CD1 4.06Å; F420-K422 PolarHBondContact O-NZ 3.18Å
421	V	27.8	Very low	29.7	Very low	88 Å²	88	137.5 Å²	137.5	53%	0.533	72%	0.717	S	S	.	*			trans	-128	-159.3	-153.7	86.5	0	0	0	0	122.7	Y130 Y134	Y130-V421 PolarHBondContact OH-N 3.13Å; Y134-V421 HydrophobicContact CE2-CG1 4.48Å
422	K	29.5	Very low	29.4	Very low	161 Å²	161	140 Å²	140	70%	0.7	72%	0.721	S	S	*	*			trans	-144.9	-164.2	-155.7	-64	95.6	-146.1	177.1	0	119.1	F420	F420-K422 PolarHBondContact O-NZ 3.18Å
423	K	32.2	Very low	29.5	Very low	81 Å²	81	135.2 Å²	135.2	35%	0.352	72%	0.717	S	S	.	*			trans	-167.3	155.4	-170.1	-74.2	-169	166.8	-172.2	0	121.7	Y141	Y141-K423 HydrophobicContact CD1-CD 4.12Å; Y141-K423 HydrophobicContact CD2-CD 4.2Å; Y141-K423 HydrophobicContact CE1-CD 4.19Å; Y141-K423 HydrophobicContact CE2-CD 4.31Å; Y141-K423 HydrophobicContact CG-CD 4.11Å
424	T	28.6	Very low	30	Very low	106 Å²	106	139.7 Å²	139.7	65%	0.65	75%	0.749	S	S	*	*				131.6	116.3	129.2	68.5	0	0	0	0	127.4	Y141	Y141-T424 HydrophobicContact CE2-CG2 3.62Å; Y141-T424 VanDerWaalsContact OH-CG2 3.26Å; Y141-T424 WeakPolarHBondContact OH-CG2 3.37Å
425	L	30.2	Very low	29.9	Very low	122 Å²	122	137.6 Å²	137.6	64%	0.639	74%	0.744	S	S	*	*			trans	74.2	125.7	130.2	-121	82.3	0	0	0	132.4
426	W	27	Very low	30	Very low	197 Å²	197	140 Å²	140	75%	0.746	75%	0.749	S	S	*	*			trans	77.3	168.2	146.2	-84.2	3.7	0	0	0	123.4
427	K	29.8	Very low	30.1	Very low	182 Å²	182	138.3 Å²	138.3	79%	0.791	74%	0.742	S	S	*	*			cis	-170.6	158	25.3	-152.3	179.3	-176.4	-179.4	0	116.3
428	P	36	Very low	30.5	Very low	127 Å²	127	133.1 Å²	133.1	83%	0.825	73%	0.734	S	S	*	*			trans	-138.6	175.1	-178	45.1	-30.7	0	0	0	121.2
429	S	29.2	Very low	30.4	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	74%	0.737	S	S	*	*			trans	-175.9	151.5	147.6	63.1	0	0	0	0	117.7
430	K	34.3	Very low	30.5	Very low	219 Å²	219	137.5 Å²	137.5	95%	0.952	74%	0.742	S	S	*	*			trans	-172.5	159	169.7	-103.7	159.5	-175.3	175.7	0	112.3
431	A	27.4	Very low	30.6	Very low	96 Å²	96	141.8 Å²	141.8	79%	0.793	77%	0.771	S	S	*	*			trans	-169.2	179.7	-179.6	0	0	0	0	0	116.7
432	I	26.1	Very low	30.9	Very low	163 Å²	163	145.9 Å²	145.9	84%	0.836	79%	0.789	S	S	*	*			trans	95.4	153.2	162.3	-53.2	177.2	0	0	0	118.6
433	V	31.4	Very low	31	Very low	138 Å²	138	144.7 Å²	144.7	84%	0.836	80%	0.796	S	S	*	*			trans	87.5	132.3	178.4	-171	0	0	0	0	114.6
434	S	39.5	Very low	30.9	Very low	185 Å²	185	150.5 Å²	150.5	100%	1.294	84%	0.837	S	S	*	*			cis	-120.3	0	0.5	61.4	0	0	0	0	112.8

Retrieved 434 of 434 residues in 66 ms (Link to these results)

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