A0A077ZAU1_TRITR Loading...

Subunit of mRNA cleavage and polyadenylation fact or

AlphaFold DB , UniProt , Accession A0A077ZAU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 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	30.1	Very low	37	Very low	247 Å²	247	86.1 Å²	86.1	100%	1.217	52%	0.515	S	S	*	.				0	123.3	0	-78	166.8	70.3	0	0	107.5
2	V	28.7	Very low	37.2	Very low	88 Å²	88	87.8 Å²	87.8	53%	0.533	54%	0.535	S	S	.	.			trans	-94.4	124.1	174.8	-177.7	0	0	0	0	107.2
3	D	30.9	Very low	37.3	Very low	94 Å²	94	83.5 Å²	83.5	50%	0.503	51%	0.511	S	S	.	.			trans	-57.7	120.9	-179.3	-157.5	-25.7	0	0	0	110.3	A5 N6	D3-A5 PolarHBondContact O-N 3.12Å; D3-A5 PolarHBondContact OD1-N 3.4Å; D3-N6 HydrophobicContact CB-CB 4.5Å; D3-N6 PolarHBondContact O-N 2.94Å
4	P	35.1	Very low	37.5	Very low	96 Å²	96	80 Å²	80	62%	0.623	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26	-178.8	22.1	-31.9	0	0	0	113.1	N6 S7	P4-N6 PolarHBondContact O-N 2.74Å; P4-S7 PolarHBondContact O-N 2.93Å
5	A	42.3	Very low	37.6	Very low	87 Å²	87	78.5 Å²	78.5	72%	0.719	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.1	176.2	0	0	0	0	0	113.6	D3	D3-A5 PolarHBondContact O-N 3.12Å; D3-A5 PolarHBondContact OD1-N 3.4Å
6	N	39.6	Very low	37.7	Very low	120 Å²	120	76.4 Å²	76.4	64%	0.642	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-101.6	19.9	178.9	-75.5	-33.2	0	0	0	112.8	D3 P4 P8	D3-N6 HydrophobicContact CB-CB 4.5Å; D3-N6 PolarHBondContact O-N 2.94Å; P4-N6 PolarHBondContact O-N 2.74Å; N6-P8 VanDerWaalsContact O-CD 3.24Å; N6-P8 WeakPolarHBondContact O-CD 3.25Å
7	S	37.5	Very low	37.7	Very low	29 Å²	29	72.4 Å²	72.4	20%	0.203	44%	0.438	C	S	.	.			trans	-64.6	118.9	168	-174	0	0	0	0	108.3	P4 F9 S10	P4-S7 PolarHBondContact O-N 2.93Å; S7-F9 PolarHBondContact O-N 2.84Å; S7-F9 PolarHBondContact OG-N 2.9Å; S7-S10 PolarHBondContact O-N 2.51Å
8	P	41	Very low	37.5	Very low	86 Å²	86	71.1 Å²	71.1	56%	0.558	43%	0.433	S	S	*	.	S	Bend	trans	-63.7	-5.6	170.6	28	-32.8	0	0	0	111.9	N6	N6-P8 VanDerWaalsContact O-CD 3.24Å; N6-P8 WeakPolarHBondContact O-CD 3.25Å
9	F	39.9	Very low	37.4	Very low	25 Å²	25	69.4 Å²	69.4	11%	0.11	42%	0.423	C	S	.	.			trans	-108	46.1	-179	-52.8	-68.4	0	0	0	111.4	S7 Y14 A138 L173 T176	S7-F9 PolarHBondContact O-N 2.84Å; S7-F9 PolarHBondContact OG-N 2.9Å; F9-Y14 WeakPolarHBondContact CB-OH 3.49Å; F9-A138 HydrophobicContact CB-CB 4.29Å; F9-L173 HydrophobicContact CD1-CD2 4.26Å; F9-L173 HydrophobicContact CE1-CD2 3.52Å; F9-L173 HydrophobicContact CE1-CG 3.72Å; F9-L173 HydrophobicContact CE2-CD2 4.31Å; F9-L173 HydrophobicContact CZ-CD2 3.56Å; F9-L173 HydrophobicContact CZ-CG 3.97Å; F9-T176 HydrophobicContact CE2-CG2 4.39Å
10	S	42	Very low	37.1	Very low	47 Å²	47	70.9 Å²	70.9	33%	0.329	43%	0.428	S	S	.	.			trans	-72.7	128.4	170.8	82.5	0	0	0	0	109	S7 S12 S13 Y14	S7-S10 PolarHBondContact O-N 2.51Å; S10-S12 PolarHBondContact O-N 3.17Å; S10-S12 PolarHBondContact OG-OG 2.88Å; S10-S13 WeakPolarHBondContact O-CB 2.98Å; S10-S13 PolarHBondContact O-N 3.48Å; S10-S13 PolarHBondContact O-OG 3Å; S10-S13 PolarHBondContact OG-OG 3.37Å; S10-S13 VanDerWaalsContact OG-OG 3.12Å; S10-Y14 WeakPolarHBondContact O-CD2 3.24Å; S10-Y14 WeakPolarHBondContact O-CE2 3.35Å
11	A	39.8	Very low	37.1	Very low	28 Å²	28	70.4 Å²	70.4	23%	0.231	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-50.3	-25.5	179.5	0	0	0	0	0	113.5	S13 Y14 E131	A11-S13 PolarHBondContact O-N 3.36Å; A11-Y14 VanDerWaalsContact C-CD2 3.48Å; A11-Y14 WeakPolarHBondContact O-CB 3.05Å; A11-Y14 VanDerWaalsContact O-CD2 3.23Å; A11-Y14 WeakPolarHBondContact O-CD2 3.49Å; A11-Y14 PolarHBondContact O-N 3.21Å; A11-E131 HydrophobicContact CB-CB 4.3Å; A11-E131 HydrophobicContact CB-CG 4.29Å
12	S	39.7	Very low	37.3	Very low	107 Å²	107	59.7 Å²	59.7	75%	0.748	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.1	173.9	64.2	0	0	0	0	115.3	S10 Y14	S10-S12 PolarHBondContact O-N 3.17Å; S10-S12 PolarHBondContact OG-OG 2.88Å; S12-Y14 VanDerWaalsContact C-N 3.25Å
13	S	38.7	Very low	37.4	Very low	32 Å²	32	60.4 Å²	60.4	22%	0.224	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-83	-2.9	179.1	-56.7	0	0	0	0	113	S10 A11 G42	S10-S13 WeakPolarHBondContact O-CB 2.98Å; S10-S13 PolarHBondContact O-N 3.48Å; S10-S13 PolarHBondContact O-OG 3Å; S10-S13 PolarHBondContact OG-OG 3.37Å; S10-S13 VanDerWaalsContact OG-OG 3.12Å; A11-S13 PolarHBondContact O-N 3.36Å; S13-G42 VanDerWaalsContact O-O 3.07Å
14	Y	40.1	Very low	37.6	Very low	34 Å²	34	64.1 Å²	64.1	13%	0.133	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-102.4	128.8	-169.7	-62.2	-103.3	0	0	0	110.9	F9 S10 A11 S12 L39 C41 V134	F9-Y14 WeakPolarHBondContact CB-OH 3.49Å; S10-Y14 WeakPolarHBondContact O-CD2 3.24Å; S10-Y14 WeakPolarHBondContact O-CE2 3.35Å; A11-Y14 VanDerWaalsContact C-CD2 3.48Å; A11-Y14 WeakPolarHBondContact O-CB 3.05Å; A11-Y14 VanDerWaalsContact O-CD2 3.23Å; A11-Y14 WeakPolarHBondContact O-CD2 3.49Å; A11-Y14 PolarHBondContact O-N 3.21Å; S12-Y14 VanDerWaalsContact C-N 3.25Å; Y14-L39 HydrophobicContact CD1-CD2 3.69Å; Y14-L39 HydrophobicContact CG-CD2 4.03Å; Y14-C41 VanDerWaalsContact CD1-CA 3.43Å; Y14-C41 HydrophobicContact CD1-CB 3.58Å; Y14-C41 WeakPolarHBondContact CD1-SG 3.47Å; Y14-C41 HydrophobicContact CE1-CB 3.46Å; Y14-C41 VanDerWaalsContact CE1-CB 3.46Å; Y14-C41 WeakPolarHBondContact CE1-SG 3.19Å; Y14-V134 HydrophobicContact CD1-CG1 4.46Å; Y14-V134 HydrophobicContact CE1-CG1 3.75Å; Y14-V134 HydrophobicContact CE2-CG1 4.5Å
15	S	39.1	Very low	37.7	Very low	57 Å²	57	60.6 Å²	60.6	40%	0.399	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.5	178.4	-70.6	0	0	0	0	109.8	L17 A40	S15-L17 PolarHBondContact O-N 2.91Å; S15-A40 PolarHBondContact N-O 2.97Å; S15-A40 WeakPolarHBondContact O-CB 3.27Å; S15-A40 PolarHBondContact O-N 2.83Å
16	L	38.3	Very low	37.4	Very low	45 Å²	45	58.5 Å²	58.5	24%	0.236	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.1	167.2	-93.3	143.3	0	0	0	109.9	S18 M37 L39 K127	L16-S18 PolarHBondContact O-N 2.61Å; L16-M37 HydrophobicContact CD2-CB 3.79Å; L16-M37 HydrophobicContact CD2-CE 4.14Å; L16-M37 HydrophobicContact CD2-SD 4.4Å; L16-L39 HydrophobicContact CD1-CD1 3.73Å; L16-L39 HydrophobicContact CD2-CB 4.01Å; L16-L39 HydrophobicContact CD2-CD1 3.99Å; L16-L39 HydrophobicContact CD2-CG 4.29Å; L16-L39 HydrophobicContact CG-CB 4.14Å; L16-L39 HydrophobicContact CG-CD1 3.55Å; L16-L39 HydrophobicContact CG-CG 3.89Å; L16-K127 HydrophobicContact CD1-CB 3.66Å; L16-K127 HydrophobicContact CD1-CD 3.43Å; L16-K127 VanDerWaalsContact CD1-CD 3.43Å; L16-K127 HydrophobicContact CD1-CG 3.35Å
17	L	38.2	Very low	37.3	Very low	8 Å²	8	61.1 Å²	61.1	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.1	166.2	-70.2	170.2	0	0	0	107.4	S15 V25 V38 A40 L48	S15-L17 PolarHBondContact O-N 2.91Å; L17-V25 HydrophobicContact CD1-CG1 4.38Å; L17-V38 WeakPolarHBondContact CA-O 3.34Å; L17-V38 WeakPolarHBondContact CB-O 3.32Å; L17-V38 PolarHBondContact N-O 3.41Å; L17-A40 HydrophobicContact CD1-CB 4.38Å; L17-A40 HydrophobicContact CG-CB 4.42Å; L17-L48 HydrophobicContact CD1-CD2 4.44Å; L17-L48 HydrophobicContact CD2-CB 4.49Å; L17-L48 HydrophobicContact CD2-CD1 3.77Å; L17-L48 HydrophobicContact CD2-CD2 4.22Å; L17-L48 HydrophobicContact CD2-CG 4.38Å
18	S	34.2	Very low	37.2	Very low	50 Å²	50	63 Å²	63	35%	0.35	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-60.6	150.7	166.9	76.4	0	0	0	0	109.4	L16 L20 T21 M22	L16-S18 PolarHBondContact O-N 2.61Å; S18-L20 PolarHBondContact O-N 3.34Å; S18-L20 PolarHBondContact OG-N 3.2Å; S18-T21 PolarHBondContact N-OG1 3.42Å; S18-T21 VanDerWaalsContact N-OG1 3.09Å; S18-T21 PolarHBondContact O-N 3.49Å; S18-T21 VanDerWaalsContact O-N 3.13Å; S18-T21 PolarHBondContact O-OG1 2.85Å; S18-T21 PolarHBondContact OG-N 3.24Å; S18-T21 PolarHBondContact OG-OG1 3.15Å; S18-M22 PolarHBondContact O-N 2.82Å; S18-M22 VanDerWaalsContact O-N 3.07Å
19	P	35	Very low	36.9	Very low	38 Å²	38	67 Å²	67	25%	0.247	37%	0.368	C	S	.	.	H	α-helix	trans	-54.1	-20.9	174.1	-25.6	33.7	0	0	0	113.8	M22	P19-M22 WeakPolarHBondContact O-CB 3.04Å
20	L	32.1	Very low	36.5	Very low	100 Å²	100	76.3 Å²	76.3	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-78.5	-45.2	178.7	-68.3	168.4	0	0	0	112.4	S18 M22 N23 V114	S18-L20 PolarHBondContact O-N 3.34Å; S18-L20 PolarHBondContact OG-N 3.2Å; L20-M22 PolarHBondContact O-N 2.81Å; L20-N23 PolarHBondContact O-N 2.81Å; L20-V114 HydrophobicContact CD1-CG2 4.21Å; L20-V114 HydrophobicContact CD2-CG2 3.92Å
21	T	37.4	Very low	36.1	Very low	61 Å²	61	78 Å²	78	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-24.2	169.3	30.6	0	0	0	0	111.9	S18 E24 V25	S18-T21 PolarHBondContact N-OG1 3.42Å; S18-T21 VanDerWaalsContact N-OG1 3.09Å; S18-T21 PolarHBondContact O-N 3.49Å; S18-T21 VanDerWaalsContact O-N 3.13Å; S18-T21 PolarHBondContact O-OG1 2.85Å; S18-T21 PolarHBondContact OG-N 3.24Å; S18-T21 PolarHBondContact OG-OG1 3.15Å; T21-E24 PolarHBondContact O-N 2.87Å; T21-V25 WeakPolarHBondContact O-CB 3.38Å; T21-V25 WeakPolarHBondContact O-CG2 3.45Å; T21-V25 PolarHBondContact O-N 3.34Å
22	M	34	Very low	35.8	Very low	21 Å²	21	82.9 Å²	82.9	10%	0.103	43%	0.429	C	S	.	.	H	α-helix	trans	-66.8	-31.3	176.5	-156	171.8	165.6	0	0	113.1	S18 P19 L20 E24 V25 V26 L31 V38	S18-M22 PolarHBondContact O-N 2.82Å; S18-M22 VanDerWaalsContact O-N 3.07Å; P19-M22 WeakPolarHBondContact O-CB 3.04Å; L20-M22 PolarHBondContact O-N 2.81Å; M22-E24 VanDerWaalsContact C-N 3.34Å; M22-E24 PolarHBondContact O-N 3.38Å; M22-V25 PolarHBondContact O-N 2.96Å; M22-V26 HydrophobicContact CG-CG2 4.04Å; M22-V26 WeakPolarHBondContact O-CA 3.42Å; M22-V26 WeakPolarHBondContact O-CB 3.49Å; M22-V26 PolarHBondContact O-N 3.28Å; M22-L31 HydrophobicContact CE-CB 4.37Å; M22-L31 HydrophobicContact CE-CD1 3.51Å; M22-L31 HydrophobicContact CE-CD2 4.06Å; M22-L31 HydrophobicContact CE-CG 4.17Å; M22-V38 HydrophobicContact CE-CG2 3.4Å; M22-V38 HydrophobicContact SD-CB 4.46Å; M22-V38 HydrophobicContact SD-CG2 3.76Å
23	N	31.4	Very low	35.6	Very low	103 Å²	103	87 Å²	87	55%	0.551	43%	0.434	S	S	*	.	H	α-helix	trans	-72.8	-23.5	177.5	-86.6	-35.3	0	0	0	113.7	L20	L20-N23 PolarHBondContact O-N 2.81Å
24	E	33.9	Very low	35.4	Very low	172 Å²	172	87.8 Å²	87.8	80%	0.804	44%	0.439	S	S	*	.	H	α-helix	trans	-81.9	-31.7	171.2	-71.4	-168.2	156.2	0	0	111.7	T21 M22	T21-E24 PolarHBondContact O-N 2.87Å; M22-E24 VanDerWaalsContact C-N 3.34Å; M22-E24 PolarHBondContact O-N 3.38Å
25	V	38.2	Very low	35.3	Very low	23 Å²	23	91.1 Å²	91.1	14%	0.139	45%	0.454	C	S	.	.	H	α-helix	trans	-85.9	-30.3	-176.3	159	0	0	0	0	112.9	L17 T21 M22 V51	L17-V25 HydrophobicContact CD1-CG1 4.38Å; T21-V25 WeakPolarHBondContact O-CB 3.38Å; T21-V25 WeakPolarHBondContact O-CG2 3.45Å; T21-V25 PolarHBondContact O-N 3.34Å; M22-V25 PolarHBondContact O-N 2.96Å; V25-V51 HydrophobicContact CB-CB 4.13Å; V25-V51 HydrophobicContact CB-CG2 4.42Å; V25-V51 HydrophobicContact CG1-CB 3.39Å; V25-V51 HydrophobicContact CG1-CG1 3.4Å; V25-V51 VanDerWaalsContact CG1-CG1 3.4Å; V25-V51 HydrophobicContact CG1-CG2 3.62Å; V25-V51 HydrophobicContact CG2-CB 4.16Å; V25-V51 HydrophobicContact CG2-CG2 4.09Å
26	V	34.7	Very low	35.2	Very low	43 Å²	43	89.9 Å²	89.9	26%	0.261	44%	0.444	S	S	.	.			trans	-130.7	79.9	-173.6	-167.5	0	0	0	0	108.9	M22 L31	M22-V26 HydrophobicContact CG-CG2 4.04Å; M22-V26 WeakPolarHBondContact O-CA 3.42Å; M22-V26 WeakPolarHBondContact O-CB 3.49Å; M22-V26 PolarHBondContact O-N 3.28Å; V26-L31 HydrophobicContact CG1-CD1 4.02Å
27	K	37.6	Very low	35.1	Very low	174 Å²	174	88.9 Å²	88.9	76%	0.757	44%	0.438	S	S	*	.			trans	-78.7	-4.1	167.5	-82.9	-173.7	177.5	174.4	0	113.3
28	D	36.1	Very low	35	Very low	69 Å²	69	88.9 Å²	88.9	37%	0.369	44%	0.438	S	S	.	.	S	Bend	trans	-97.5	129.8	-176.5	-72.9	-57.1	0	0	0	115	R30 D53	D28-R30 PolarHBondContact O-N 3.45Å; D28-D53 VanDerWaalsContact CG-CG 3.48Å; D28-D53 WeakPolarHBondContact OD2-CB 3.4Å
29	Q	33.7	Very low	35	Very low	169 Å²	169	86.5 Å²	86.5	79%	0.79	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	111.1	-167	-65.8	169.9	10.5	0	0	110.6
30	R	32.3	Very low	35.2	Very low	221 Å²	221	85.3 Å²	85.3	83%	0.834	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	176.7	-2.3	145.7	-99.2	168.2	-154.4	-142.3	9.4	113.6	D28 N32	D28-R30 PolarHBondContact O-N 3.45Å; R30-N32 PolarHBondContact O-N 3.04Å
31	L	34.5	Very low	35.4	Very low	82 Å²	82	80.7 Å²	80.7	43%	0.429	39%	0.391	S	S	.	.	S	Bend	trans	-70.7	69.3	156.5	-78.2	150.7	0	0	0	108.6	M22 V26 K33	M22-L31 HydrophobicContact CE-CB 4.37Å; M22-L31 HydrophobicContact CE-CD1 3.51Å; M22-L31 HydrophobicContact CE-CD2 4.06Å; M22-L31 HydrophobicContact CE-CG 4.17Å; V26-L31 HydrophobicContact CG1-CD1 4.02Å; L31-K33 PolarHBondContact O-N 3.14Å
32	N	31.4	Very low	35.3	Very low	132 Å²	132	78.6 Å²	78.6	71%	0.706	38%	0.382	S	S	*	.			trans	-70.2	96.4	-174	-150.7	-7.1	0	0	0	107.3	R30 S34	R30-N32 PolarHBondContact O-N 3.04Å; N32-S34 PolarHBondContact O-N 2.89Å
33	K	37.1	Very low	35.1	Very low	192 Å²	192	80.4 Å²	80.4	84%	0.835	40%	0.395	S	S	*	.	S	Bend	trans	60.1	-2.7	163.8	-64.5	-178.1	177	-179.9	0	118.7	L31 K35	L31-K33 PolarHBondContact O-N 3.14Å; K33-K35 PolarHBondContact O-N 3.29Å
34	S	33.8	Very low	35	Very low	49 Å²	49	79.2 Å²	79.2	34%	0.343	40%	0.395	S	S	.	.			trans	-78.9	114.7	168.9	72.6	0	0	0	0	108.2	N32 D36	N32-S34 PolarHBondContact O-N 2.89Å; S34-D36 WeakPolarHBondContact CB-OD2 3.46Å; S34-D36 PolarHBondContact O-N 3.35Å; S34-D36 PolarHBondContact OG-OD2 2.9Å
35	K	37.3	Very low	34.7	Very low	104 Å²	104	81.2 Å²	81.2	45%	0.452	40%	0.396	S	S	.	.			trans	-67.2	37.6	170.4	-62.7	176.6	176.1	175.6	0	110.7	K33 M37 N116 V118	K33-K35 PolarHBondContact O-N 3.29Å; K35-M37 PolarHBondContact O-N 3.45Å; K35-N116 PolarHBondContact NZ-O 3.29Å; K35-V118 HydrophobicContact CB-CG2 3.94Å; K35-V118 HydrophobicContact CD-CG2 3.71Å
36	D	37.1	Very low	34.1	Very low	32 Å²	32	83.7 Å²	83.7	17%	0.171	42%	0.415	C	S	.	.			trans	-74.6	126.9	-174.7	-77.9	-46.2	0	0	0	108.7	S34 V38 R162	S34-D36 WeakPolarHBondContact CB-OD2 3.46Å; S34-D36 PolarHBondContact O-N 3.35Å; S34-D36 PolarHBondContact OG-OD2 2.9Å; D36-V38 PolarHBondContact O-N 2.74Å; D36-R162 HydrophobicContact CB-CG 4.49Å; D36-R162 IonicContact OD1-CZ 3.79Å; D36-R162 IonicContact OD1-NE 3.89Å; D36-R162 IonicContact OD1-NH2 3.92Å; D36-R162 PolarHBondContact OD1-NH2 3.31Å
37	M	36.2	Very low	33.8	Very low	24 Å²	24	86 Å²	86	12%	0.118	43%	0.43	C	S	.	.			trans	-61.8	132.9	177.6	-64.5	176.9	103.3	0	0	110.3	L16 K35 E123 A126 R162	L16-M37 HydrophobicContact CD2-CB 3.79Å; L16-M37 HydrophobicContact CD2-CE 4.14Å; L16-M37 HydrophobicContact CD2-SD 4.4Å; K35-M37 PolarHBondContact O-N 3.45Å; M37-E123 HydrophobicContact CE-CB 3.55Å; M37-E123 HydrophobicContact CE-CG 3.87Å; M37-E123 WeakPolarHBondContact SD-CA 3.4Å; M37-E123 HydrophobicContact SD-CB 3.81Å; M37-E123 HydrophobicContact SD-CG 4.04Å; M37-A126 HydrophobicContact SD-CB 3.93Å; M37-R162 WeakPolarHBondContact O-CB 3.2Å; M37-R162 WeakPolarHBondContact O-CG 3.38Å
38	V	36.3	Very low	33.5	Very low	7 Å²	7	81 Å²	81	4%	0.042	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	175.3	179.3	0	0	0	0	108.8	L17 M22 D36 R162 I164	L17-V38 WeakPolarHBondContact CA-O 3.34Å; L17-V38 WeakPolarHBondContact CB-O 3.32Å; L17-V38 PolarHBondContact N-O 3.41Å; M22-V38 HydrophobicContact CE-CG2 3.4Å; M22-V38 HydrophobicContact SD-CB 4.46Å; M22-V38 HydrophobicContact SD-CG2 3.76Å; D36-V38 PolarHBondContact O-N 2.74Å; V38-R162 CarbonylContact C-O 3.5Å; V38-R162 WeakPolarHBondContact CA-O 3.35Å; V38-I164 HydrophobicContact CG1-CB 4.44Å; V38-I164 HydrophobicContact CG1-CD1 3.54Å; V38-I164 HydrophobicContact CG1-CG1 3.65Å
39	L	35.4	Very low	33	Very low	1 Å²	1	86 Å²	86	1%	0.005	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.8	180	-163.7	140.5	0	0	0	108.6	Y14 L16 C41 I130 E131 R162 V163 I164	Y14-L39 HydrophobicContact CD1-CD2 3.69Å; Y14-L39 HydrophobicContact CG-CD2 4.03Å; L16-L39 HydrophobicContact CD1-CD1 3.73Å; L16-L39 HydrophobicContact CD2-CB 4.01Å; L16-L39 HydrophobicContact CD2-CD1 3.99Å; L16-L39 HydrophobicContact CD2-CG 4.29Å; L16-L39 HydrophobicContact CG-CB 4.14Å; L16-L39 HydrophobicContact CG-CD1 3.55Å; L16-L39 HydrophobicContact CG-CG 3.89Å; L39-C41 VanDerWaalsContact CD2-SG 3.51Å; L39-I130 HydrophobicContact CB-CG2 3.93Å; L39-I130 HydrophobicContact CD1-CB 4.23Å; L39-I130 HydrophobicContact CD1-CG2 3.71Å; L39-I130 HydrophobicContact CD2-CG2 4.35Å; L39-I130 HydrophobicContact CG-CG2 4.22Å; L39-E131 HydrophobicContact CD1-CG 4.35Å; L39-R162 PolarHBondContact N-O 2.85Å; L39-V163 HydrophobicContact CB-CG2 4.46Å; L39-V163 WeakPolarHBondContact O-CA 3.43Å; L39-I164 PolarHBondContact O-N 3.42Å
40	A	38.6	Very low	32.8	Very low	13 Å²	13	82.3 Å²	82.3	11%	0.107	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.5	174	0	0	0	0	0	109.2	S15 L17 L48 I164	S15-A40 PolarHBondContact N-O 2.97Å; S15-A40 WeakPolarHBondContact O-CB 3.27Å; S15-A40 PolarHBondContact O-N 2.83Å; L17-A40 HydrophobicContact CD1-CB 4.38Å; L17-A40 HydrophobicContact CG-CB 4.42Å; A40-L48 HydrophobicContact CB-CD2 3.77Å; A40-I164 CarbonylContact C-O 3.54Å; A40-I164 WeakPolarHBondContact CA-O 3.31Å
41	C	36.4	Very low	32.5	Very low	3 Å²	3	73.4 Å²	73.4	2%	0.02	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.6	178.1	-66.2	0	0	0	0	110.9	Y14 L39 V163 I164 L165 S166	Y14-C41 VanDerWaalsContact CD1-CA 3.43Å; Y14-C41 HydrophobicContact CD1-CB 3.58Å; Y14-C41 WeakPolarHBondContact CD1-SG 3.47Å; Y14-C41 HydrophobicContact CE1-CB 3.46Å; Y14-C41 VanDerWaalsContact CE1-CB 3.46Å; Y14-C41 WeakPolarHBondContact CE1-SG 3.19Å; L39-C41 VanDerWaalsContact CD2-SG 3.51Å; C41-V163 HydrophobicContact CB-CG1 4.25Å; C41-V163 WeakPolarHBondContact SG-CG1 3.11Å; C41-I164 PolarHBondContact N-O 2.86Å; C41-L165 HydrophobicContact CB-CD2 3.38Å; C41-L165 HydrophobicContact CB-CG 4.3Å; C41-L165 WeakPolarHBondContact O-CA 3.42Å; C41-S166 PolarHBondContact O-N 3.37Å; C41-S166 PolarHBondContact O-OG 2.82Å
42	G	35.7	Very low	32.1	Very low	17 Å²	17	71.7 Å²	71.7	18%	0.175	38%	0.381	C	S	.	.	S	Bend	trans	169.1	161	176.1	0	0	0	0	0	111.6	S13 S44 S166	S13-G42 VanDerWaalsContact O-O 3.07Å; G42-S44 PolarHBondContact O-N 3.28Å; G42-S166 WeakPolarHBondContact CA-OG 3.35Å
43	P	29.1	Very low	32	Very low	59 Å²	59	67.9 Å²	67.9	38%	0.383	36%	0.361	S	S	.	.			trans	-52.8	132	172.5	20.6	-29.5	0	0	0	109.5	Y45 Q168	P43-Y45 PolarHBondContact O-N 2.92Å; P43-Q168 HydrophobicContact CG-CB 4.26Å; P43-Q168 HydrophobicContact CG-CG 3.68Å
44	S	29.6	Very low	31.5	Very low	78 Å²	78	62 Å²	62	55%	0.545	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	8.3	-166.3	52.8	0	0	0	0	116.8	G42	G42-S44 PolarHBondContact O-N 3.28Å
45	Y	28.3	Very low	31.1	Very low	213 Å²	213	64.5 Å²	64.5	84%	0.835	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	17	-173.5	-80.7	-81.1	0	0	0	115.1	P43	P43-Y45 PolarHBondContact O-N 2.92Å
46	S	25.5	Very low	30.8	Very low	76 Å²	76	64.9 Å²	64.9	53%	0.531	35%	0.348	S	S	.	.	S	Bend	trans	-102.6	110.2	168.8	-161.7	0	0	0	0	110	L48	S46-L48 PolarHBondContact O-N 3.42Å
47	P	27.4	Very low	30.3	Very low	91 Å²	91	65.8 Å²	65.8	59%	0.591	35%	0.349	S	S	*	.			trans	-62.7	121.9	174.3	26.2	-29.4	0	0	0	107.9	Q49	P47-Q49 PolarHBondContact O-N 3.01Å
48	L	31.4	Very low	29.9	Very low	70 Å²	70	68 Å²	68	37%	0.366	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.2	25.4	-176.8	-68.5	148.3	0	0	0	113.7	L17 A40 S46 D50	L17-L48 HydrophobicContact CD1-CD2 4.44Å; L17-L48 HydrophobicContact CD2-CB 4.49Å; L17-L48 HydrophobicContact CD2-CD1 3.77Å; L17-L48 HydrophobicContact CD2-CD2 4.22Å; L17-L48 HydrophobicContact CD2-CG 4.38Å; A40-L48 HydrophobicContact CB-CD2 3.77Å; S46-L48 PolarHBondContact O-N 3.42Å; L48-D50 VanDerWaalsContact C-N 3.27Å; L48-D50 PolarHBondContact O-N 2.95Å
49	Q	26.8	Very low	29.5	Very low	173 Å²	173	70.6 Å²	70.6	81%	0.808	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-78.3	-7.5	-176.5	-77.7	-172	-11.3	0	0	114	P47	P47-Q49 PolarHBondContact O-N 3.01Å
50	D	28.5	Very low	29.1	Very low	91 Å²	91	77.2 Å²	77.2	49%	0.487	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-124.7	34.3	-168.3	-63.8	-44	0	0	0	113.8	L48 T52 Q203	L48-D50 VanDerWaalsContact C-N 3.27Å; L48-D50 PolarHBondContact O-N 2.95Å; D50-T52 PolarHBondContact O-N 2.89Å; D50-Q203 HydrophobicContact CB-CG 4.47Å; D50-Q203 WeakPolarHBondContact O-CB 3.37Å; D50-Q203 WeakPolarHBondContact O-CG 3.21Å
51	V	26.6	Very low	28.8	Very low	35 Å²	35	80.8 Å²	80.8	21%	0.212	44%	0.435	C	S	.	.			trans	-79.1	119.2	172.7	-171.4	0	0	0	0	109.4	V25	V25-V51 HydrophobicContact CB-CB 4.13Å; V25-V51 HydrophobicContact CB-CG2 4.42Å; V25-V51 HydrophobicContact CG1-CB 3.39Å; V25-V51 HydrophobicContact CG1-CG1 3.4Å; V25-V51 VanDerWaalsContact CG1-CG1 3.4Å; V25-V51 HydrophobicContact CG1-CG2 3.62Å; V25-V51 HydrophobicContact CG2-CB 4.16Å; V25-V51 HydrophobicContact CG2-CG2 4.09Å
52	T	26.5	Very low	28.6	Very low	45 Å²	45	87.1 Å²	87.1	28%	0.276	46%	0.463	S	S	.	.			trans	-128.3	151.1	-178.9	23.5	0	0	0	0	111.7	D50 K201	D50-T52 PolarHBondContact O-N 2.89Å; T52-K201 VanDerWaalsContact CB-O 3.22Å; T52-K201 WeakPolarHBondContact CB-O 3.36Å; T52-K201 HydrophobicContact CG2-CB 4.2Å; T52-K201 HydrophobicContact CG2-CD 4.06Å; T52-K201 HydrophobicContact CG2-CG 4.17Å; T52-K201 WeakPolarHBondContact OG1-CA 3.44Å; T52-K201 WeakPolarHBondContact OG1-CB 3.41Å; T52-K201 PolarHBondContact OG1-O 3.28Å
53	D	28.1	Very low	28.2	Very low	52 Å²	52	88.7 Å²	88.7	28%	0.278	48%	0.479	S	S	.	.			trans	-38.5	127.6	-168.2	-173.2	5	0	0	0	117.1	D28 E55	D28-D53 VanDerWaalsContact CG-CG 3.48Å; D28-D53 WeakPolarHBondContact OD2-CB 3.4Å; D53-E55 WeakPolarHBondContact OD1-CB 3.4Å; D53-E55 PolarHBondContact OD1-N 2.71Å
54	I	27.4	Very low	28.1	Very low	69 Å²	69	93.4 Å²	93.4	35%	0.354	50%	0.501	S	S	.	.	H	α-helix	trans	-75.1	-24.4	177.5	-79	169.7	0	0	0	111.8	E56 Y57 L58 T206	I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.4Å; I54-Y57 WeakPolarHBondContact O-CB 3.34Å; I54-Y57 PolarHBondContact O-N 3.22Å; I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.06Å; I54-L58 PolarHBondContact O-N 3.42Å; I54-T206 HydrophobicContact CD1-CG2 4.37Å
55	E	25.6	Very low	28	Very low	102 Å²	102	94.7 Å²	94.7	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-36.7	179.6	-69.5	-160.8	156.1	0	0	111.7	D53 Y57 L58 A59	D53-E55 WeakPolarHBondContact OD1-CB 3.4Å; D53-E55 PolarHBondContact OD1-N 2.71Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 2.87Å; E55-L58 PolarHBondContact O-N 2.83Å; E55-A59 WeakPolarHBondContact O-CB 3.38Å; E55-A59 PolarHBondContact O-N 3.28Å
56	E	30.1	Very low	28.1	Very low	112 Å²	112	90 Å²	90	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-37.5	175.3	-124.1	178.1	-168.1	0	0	111.3	I54 L60	I54-E56 VanDerWaalsContact C-N 3.33Å; I54-E56 PolarHBondContact O-N 3.4Å; E56-L60 WeakPolarHBondContact O-CB 3.17Å; E56-L60 PolarHBondContact O-N 3.1Å
57	Y	27.3	Very low	28.3	Very low	51 Å²	51	91 Å²	91	20%	0.2	52%	0.515	C	S	.	.	H	α-helix	trans	-68.6	-44.2	176.6	-177.2	-106.9	0	0	0	112.7	I54 E55 L60 N61 C202	I54-Y57 WeakPolarHBondContact O-CB 3.34Å; I54-Y57 PolarHBondContact O-N 3.22Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 2.87Å; Y57-L60 PolarHBondContact O-N 2.59Å; Y57-N61 VanDerWaalsContact CD2-ND2 3.33Å; Y57-N61 WeakPolarHBondContact CD2-ND2 3.43Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.29Å; Y57-N61 PolarHBondContact O-N 3.21Å; Y57-N61 PolarHBondContact O-ND2 2.92Å; Y57-C202 VanDerWaalsContact CB-SG 3.57Å; Y57-C202 HydrophobicContact CD2-CB 4.24Å
58	L	28.4	Very low	28.3	Very low	70 Å²	70	91.8 Å²	91.8	37%	0.366	52%	0.519	S	S	.	.	H	α-helix	trans	-70.8	-36	178.1	-68.6	177	0	0	0	111.3	I54 E55 N61 F62	I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.06Å; I54-L58 PolarHBondContact O-N 3.42Å; E55-L58 PolarHBondContact O-N 2.83Å; L58-N61 PolarHBondContact O-N 2.91Å; L58-F62 HydrophobicContact CD2-CD2 3.84Å; L58-F62 HydrophobicContact CD2-CE2 3.84Å; L58-F62 WeakPolarHBondContact O-CA 3.46Å; L58-F62 WeakPolarHBondContact O-CB 3.28Å; L58-F62 PolarHBondContact O-N 3.49Å
59	A	27.3	Very low	28.3	Very low	61 Å²	61	96.2 Å²	96.2	50%	0.504	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-38.9	172.2	0	0	0	0	0	111.6	E55 G63	E55-A59 WeakPolarHBondContact O-CB 3.38Å; E55-A59 PolarHBondContact O-N 3.28Å; A59-G63 WeakPolarHBondContact O-CA 3.26Å; A59-G63 PolarHBondContact O-N 3.31Å
60	L	27.8	Very low	28.5	Very low	140 Å²	140	93.3 Å²	93.3	73%	0.733	54%	0.535	S	S	*	.	H	α-helix	trans	-68.3	-36.8	176.2	-104.2	142.9	0	0	0	113.4	E56 Y57	E56-L60 WeakPolarHBondContact O-CB 3.17Å; E56-L60 PolarHBondContact O-N 3.1Å; Y57-L60 PolarHBondContact O-N 2.59Å
61	N	31.4	Very low	28.8	Very low	88 Å²	88	97 Å²	97	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-92.1	-26.4	-176.1	-71.4	-64.6	0	0	0	114.1	Y57 L58	Y57-N61 VanDerWaalsContact CD2-ND2 3.33Å; Y57-N61 WeakPolarHBondContact CD2-ND2 3.43Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.29Å; Y57-N61 PolarHBondContact O-N 3.21Å; Y57-N61 PolarHBondContact O-ND2 2.92Å; L58-N61 PolarHBondContact O-N 2.91Å
62	F	31.8	Very low	29.1	Very low	137 Å²	137	102.1 Å²	102.1	60%	0.601	58%	0.581	S	S	*	*	H	α-helix	trans	-128.5	-1.8	-174	-56.2	-76.1	0	0	0	114.3	L58 N64 S65	L58-F62 HydrophobicContact CD2-CD2 3.84Å; L58-F62 HydrophobicContact CD2-CE2 3.84Å; L58-F62 WeakPolarHBondContact O-CA 3.46Å; L58-F62 WeakPolarHBondContact O-CB 3.28Å; L58-F62 PolarHBondContact O-N 3.49Å; F62-N64 PolarHBondContact O-N 3.21Å; F62-S65 PolarHBondContact O-N 3.48Å; F62-S65 PolarHBondContact O-OG 3.05Å
63	G	26.8	Very low	29.3	Very low	50 Å²	50	106.9 Å²	106.9	52%	0.515	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	23.7	-172.2	0	0	0	0	0	117.6	A59	A59-G63 WeakPolarHBondContact O-CA 3.26Å; A59-G63 PolarHBondContact O-N 3.31Å
64	N	27.6	Very low	29.5	Very low	158 Å²	158	111.9 Å²	111.9	85%	0.845	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	30	168.1	-82.8	-25.7	0	0	0	112.9	F62 S66	F62-N64 PolarHBondContact O-N 3.21Å; N64-S66 PolarHBondContact O-N 3.26Å; N64-S66 VanDerWaalsContact O-N 3.15Å
65	S	27.4	Very low	29.8	Very low	105 Å²	105	115 Å²	115	73%	0.734	64%	0.637	S	S	*	*			trans	-86.8	55	166.5	-50.2	0	0	0	0	110.1	F62 S67	F62-S65 PolarHBondContact O-N 3.48Å; F62-S65 PolarHBondContact O-OG 3.05Å; S65-S67 PolarHBondContact O-N 2.98Å; S65-S67 VanDerWaalsContact O-N 3.12Å
66	S	30.1	Very low	30.1	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	65%	0.65	S	S	*	*			trans	-64.9	114.1	167.2	66	0	0	0	0	107.7	N64	N64-S66 PolarHBondContact O-N 3.26Å; N64-S66 VanDerWaalsContact O-N 3.15Å
67	S	29.3	Very low	30.1	Very low	95 Å²	95	120.1 Å²	120.1	66%	0.664	66%	0.661	S	S	*	*			trans	-58.3	152.2	-176.1	49.5	0	0	0	0	113.9	S65	S65-S67 PolarHBondContact O-N 2.98Å; S65-S67 VanDerWaalsContact O-N 3.12Å
68	T	27.7	Very low	30.2	Very low	109 Å²	109	124 Å²	124	67%	0.669	68%	0.681	S	S	*	*			trans	71.3	111.2	142.1	41.6	0	0	0	0	119	T70	T68-T70 HydrophobicContact CG2-CG2 4.42Å
69	I	32.6	Very low	30.1	Very low	163 Å²	163	130.3 Å²	130.3	84%	0.836	70%	0.699	S	S	*	*				-150.4	84.7	107.9	-81.9	140.4	0	0	0	105.2
70	T	31.4	Very low	30.1	Very low	112 Å²	112	132.4 Å²	132.4	69%	0.687	71%	0.711	S	S	*	*				45.1	89.5	108.7	53.7	0	0	0	0	113.7	T68	T68-T70 HydrophobicContact CG2-CG2 4.42Å
71	N	33.5	Very low	30.4	Very low	167 Å²	167	130.8 Å²	130.8	89%	0.893	71%	0.711	S	S	*	*			trans	-84.3	140.7	158.6	-99.6	-16.8	0	0	0	109.4
72	D	33.9	Very low	30.7	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	73%	0.725	S	S	*	*			trans	-61.2	147.2	-171.1	-76.6	-50.9	0	0	0	116.3
73	E	30.1	Very low	30.6	Very low	144 Å²	144	132.3 Å²	132.3	67%	0.673	74%	0.737	S	S	*	*			trans	58.7	114.8	138.3	-66.8	-157.3	163	0	0	121.7
74	K	31.2	Very low	30.9	Very low	157 Å²	157	137.7 Å²	137.7	68%	0.683	75%	0.753	S	S	*	*				104.9	141.3	116	-89.6	-178.9	-174.5	131.7	0	120.3
75	D	34.3	Very low	30.9	Very low	135 Å²	135	135 Å²	135	72%	0.722	75%	0.746	S	S	*	*			trans	81.5	91.1	162.3	-57.7	-16.8	0	0	0	115.7
76	E	33.1	Very low	31	Very low	160 Å²	160	138 Å²	138	75%	0.748	75%	0.753	S	S	*	*				88.1	137	70.5	-81.4	-70.4	162.2	0	0	111.8
77	E	28.8	Very low	30.7	Very low	162 Å²	162	143.2 Å²	143.2	76%	0.757	76%	0.755	S	S	*	*			trans	71.7	128.6	165	-67.4	179.6	-174	0	0	115.6
78	E	30.2	Very low	30.7	Very low	133 Å²	133	144.4 Å²	144.4	62%	0.621	76%	0.761	S	S	*	*			cis	-173.6	135.1	38.3	-127.8	-179.6	159.4	0	0	110.5
79	R	26.4	Very low	30.6	Very low	201 Å²	201	143.9 Å²	143.9	76%	0.758	77%	0.767	S	S	*	*			trans	64	119.4	132.1	-81.9	177.4	176.2	151.6	-5.2	123.4
80	S	27.4	Very low	30.5	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	77%	0.766	S	S	*	*			trans	81.6	138.8	138.1	-36.1	0	0	0	0	117
81	S	33.4	Very low	30.4	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	77%	0.77	S	S	*	*			cis	-170	171.7	11.3	-111.4	0	0	0	0	107.7
82	P	37.2	Very low	30	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	76%	0.763	S	S	*	*			trans	-82.2	135.5	-143.9	32.5	-34.3	0	0	0	114.5	L84	P82-L84 PolarHBondContact O-N 3.38Å
83	V	29.7	Very low	29.8	Very low	141 Å²	141	141.5 Å²	141.5	86%	0.855	77%	0.768	S	S	*	*			trans	-60	121.1	169.9	-179.8	0	0	0	0	109.2	S85	V83-S85 PolarHBondContact O-N 3.44Å; V83-S85 VanDerWaalsContact O-N 3.1Å
84	L	33.9	Very low	29.9	Very low	162 Å²	162	139.6 Å²	139.6	85%	0.848	78%	0.777	S	S	*	*			trans	-53.2	112.5	175.4	-75.1	160.7	0	0	0	110.2	P82 L86	P82-L84 PolarHBondContact O-N 3.38Å; L84-L86 PolarHBondContact O-N 2.78Å; L84-L86 VanDerWaalsContact O-N 3.11Å
85	S	27.8	Very low	29.8	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	78%	0.783	S	S	*	*			trans	-69.8	98.1	176.2	-175.8	0	0	0	0	109.9	V83 R87	V83-S85 PolarHBondContact O-N 3.44Å; V83-S85 VanDerWaalsContact O-N 3.1Å; S85-R87 PolarHBondContact O-N 3.45Å
86	L	28.3	Very low	30	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	79%	0.787	S	S	*	*			trans	-72.3	84.5	162.4	-73.2	164.7	0	0	0	107.6	L84 P88	L84-L86 PolarHBondContact O-N 2.78Å; L84-L86 VanDerWaalsContact O-N 3.11Å; L86-P88 VanDerWaalsContact O-CD 3.28Å; L86-P88 WeakPolarHBondContact O-CD 3.13Å
87	R	24.6	Very low	29.9	Very low	226 Å²	226	139.2 Å²	139.2	85%	0.853	79%	0.789	S	S	*	*			trans	-88.3	108.1	173.3	-149.1	177.6	-167.9	172	2.8	107.9	S85 A89	S85-R87 PolarHBondContact O-N 3.45Å; R87-A89 PolarHBondContact O-N 3.27Å
88	P	28.5	Very low	30	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	79%	0.786	S	S	*	*			trans	-69.7	126.9	174.3	-13.5	30.5	0	0	0	108.5	L86 A90	L86-P88 VanDerWaalsContact O-CD 3.28Å; L86-P88 WeakPolarHBondContact O-CD 3.13Å; P88-A90 PolarHBondContact O-N 3.35Å; P88-A90 VanDerWaalsContact O-N 3.09Å
89	A	26.8	Very low	29.9	Very low	97 Å²	97	140 Å²	140	80%	0.802	80%	0.797	S	S	*	*			trans	-59.4	109.3	176.1	0	0	0	0	0	109.8	R87 S91	R87-A89 PolarHBondContact O-N 3.27Å; A89-S91 PolarHBondContact O-N 2.84Å; A89-S91 VanDerWaalsContact O-N 3.15Å
90	A	29.1	Very low	30	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	80%	0.795	S	S	*	*			trans	-73.6	96.8	165.8	0	0	0	0	0	107.6	P88 N92	P88-A90 PolarHBondContact O-N 3.35Å; P88-A90 VanDerWaalsContact O-N 3.09Å; A90-N92 PolarHBondContact O-N 2.73Å
91	S	29.8	Very low	30.2	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	80%	0.803	S	S	*	*			trans	-78.8	107.5	172.5	54	0	0	0	0	110.1	A89	A89-S91 PolarHBondContact O-N 2.84Å; A89-S91 VanDerWaalsContact O-N 3.15Å
92	N	26.6	Very low	30.3	Very low	140 Å²	140	140 Å²	140	75%	0.749	81%	0.808	S	S	*	*			trans	25.1	120.7	144.4	-64.4	-3.4	0	0	0	120.5	A90	A90-N92 PolarHBondContact O-N 2.73Å
93	E	29.1	Very low	30.1	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	81%	0.813	S	S	*	*				48.4	111.1	124.8	-60.1	-175	161.2	0	0	119.4
94	A	32.7	Very low	30.5	Very low	103 Å²	103	141 Å²	141	85%	0.851	80%	0.798	S	S	*	*			trans	-150.2	132.6	143.2	0	0	0	0	0	109.6
95	D	27.6	Very low	30.7	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	79%	0.79	S	S	*	*			trans	-48.4	143.7	-166.2	-74.4	-69.2	0	0	0	118.5
96	P	40	Very low	31.6	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	79%	0.785	S	S	*	*			trans	-100.4	76.9	164.3	37.5	-25.5	0	0	0	110
97	E	31.1	Very low	32.1	Very low	168 Å²	168	138.5 Å²	138.5	79%	0.785	78%	0.777	S	S	*	*			trans	-118.4	109.7	166.4	-75.8	-159.9	154	0	0	112.4
98	N	30	Very low	32.6	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	77%	0.769	S	S	*	*			trans	73.6	115.3	139.2	-89.9	-7.8	0	0	0	122.6
99	E	27.9	Very low	33	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	76%	0.757	S	S	*	*				75.7	116.3	129.4	-70	-177	154.1	0	0	118.9
100	G	28.1	Very low	33.2	Very low	71 Å²	71	134.2 Å²	134.2	73%	0.732	74%	0.737	S	S	*	*			trans	144.9	43.8	153.3	0	0	0	0	0	117.7	M102	G100-M102 PolarHBondContact O-N 3.27Å
101	N	33	Very low	33.5	Very low	170 Å²	170	134.1 Å²	134.1	91%	0.909	72%	0.72	S	S	*	*			trans	31.1	68.9	138.9	-123.3	3.5	0	0	0	118
102	M	34.2	Very low	33.6	Very low	172 Å²	172	133.1 Å²	133.1	85%	0.847	71%	0.706	S	S	*	*			trans	-135	104.7	148.5	-80.3	-161.7	176.9	0	0	107.2	G100 P104	G100-M102 PolarHBondContact O-N 3.27Å; M102-P104 WeakPolarHBondContact O-CD 3.25Å
103	K	33.7	Very low	34.1	Very low	196 Å²	196	131 Å²	131	85%	0.852	69%	0.693	S	S	*	*			trans	-42.6	109.1	167.5	-79.4	176.2	175.1	176.7	0	107.5	T105	K103-T105 PolarHBondContact O-N 2.86Å
104	P	37.6	Very low	34.5	Very low	83 Å²	83	124 Å²	124	54%	0.539	66%	0.663	S	S	.	*			trans	-64.9	108.6	174.8	-16	30.3	0	0	0	105.3	M102 S106	M102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-S106 PolarHBondContact O-N 3.08Å
105	T	38.5	Very low	35	Very low	111 Å²	111	125.6 Å²	125.6	68%	0.681	65%	0.653	S	S	*	*			trans	-49	131.5	167.4	10.8	0	0	0	0	106.5	K103 Y107 R108	K103-T105 PolarHBondContact O-N 2.86Å; T105-Y107 PolarHBondContact O-N 3.21Å; T105-R108 PolarHBondContact O-N 2.88Å
106	S	46.4	Very low	35.7	Very low	88 Å²	88	123.7 Å²	123.7	62%	0.615	64%	0.643	S	S	*	*	H	α-helix	trans	-42.5	-22.6	-173.4	136.4	0	0	0	0	114.8	P104 L110	P104-S106 PolarHBondContact O-N 3.08Å; S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 WeakPolarHBondContact O-CG 3.47Å; S106-L110 PolarHBondContact O-N 3.36Å; S106-L110 VanDerWaalsContact O-N 3.08Å
107	Y	39.3	Very low	35.9	Very low	180 Å²	180	126.2 Å²	126.2	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-61.3	-40.7	173.3	-147.3	-91.9	0	0	0	115.7	T105 L110 Q111	T105-Y107 PolarHBondContact O-N 3.21Å; Y107-L110 WeakPolarHBondContact O-CB 3.47Å; Y107-L110 PolarHBondContact O-N 2.99Å; Y107-Q111 PolarHBondContact O-N 3.34Å
108	R	35.6	Very low	36.7	Very low	179 Å²	179	119.9 Å²	119.9	68%	0.675	61%	0.609	S	S	*	*	H	α-helix	trans	-71	-41	179.6	-99.9	-173.3	177	174.6	-1.2	112.2	T105 L110 Q111 D112	T105-R108 PolarHBondContact O-N 2.88Å; R108-L110 VanDerWaalsContact C-N 3.26Å; R108-L110 PolarHBondContact O-N 3Å; R108-Q111 PolarHBondContact O-N 3.49Å; R108-Q111 VanDerWaalsContact O-N 3.1Å; R108-D112 PolarHBondContact O-N 3.17Å
109	L	35.5	Very low	37.5	Very low	102 Å²	102	117.4 Å²	117.4	53%	0.534	60%	0.6	S	S	.	*	H	α-helix	trans	-59.6	-38.7	171	-97.7	154.7	0	0	0	111.5	I113	L109-I113 VanDerWaalsContact O-CD1 3.31Å; L109-I113 WeakPolarHBondContact O-CD1 3.47Å; L109-I113 WeakPolarHBondContact O-CG1 3.42Å; L109-I113 PolarHBondContact O-N 2.92Å; L109-I113 VanDerWaalsContact O-N 3.1Å
110	L	32.4	Very low	38.8	Very low	71 Å²	71	113.2 Å²	113.2	37%	0.372	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-38.4	173.2	-78.9	164.4	0	0	0	112.3	S106 Y107 R108 I113 V114	S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 WeakPolarHBondContact O-CG 3.47Å; S106-L110 PolarHBondContact O-N 3.36Å; S106-L110 VanDerWaalsContact O-N 3.08Å; Y107-L110 WeakPolarHBondContact O-CB 3.47Å; Y107-L110 PolarHBondContact O-N 2.99Å; R108-L110 VanDerWaalsContact C-N 3.26Å; R108-L110 PolarHBondContact O-N 3Å; L110-I113 PolarHBondContact O-N 2.83Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.24Å; L110-V114 PolarHBondContact O-N 3.07Å
111	Q	34.2	Very low	40	Very low	96 Å²	96	117.6 Å²	117.6	45%	0.449	59%	0.589	S	S	.	*	H	α-helix	trans	-67.6	-40.4	178.5	-162	167.5	3.9	0	0	112	Y107 R108 I113 V114 E115	Y107-Q111 PolarHBondContact O-N 3.34Å; R108-Q111 PolarHBondContact O-N 3.49Å; R108-Q111 VanDerWaalsContact O-N 3.1Å; Q111-I113 VanDerWaalsContact C-N 3.29Å; Q111-I113 PolarHBondContact O-N 3.08Å; Q111-V114 CarbonylContact O-C 3.51Å; Q111-V114 PolarHBondContact O-N 3.4Å; Q111-V114 VanDerWaalsContact O-N 3.12Å; Q111-E115 PolarHBondContact O-N 2.98Å
112	D	32.2	Very low	40.6	Very low	90 Å²	90	113.2 Å²	113.2	48%	0.481	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-31	173.6	-65.7	-18.2	0	0	0	111.9	R108 N116	R108-D112 PolarHBondContact O-N 3.17Å; D112-N116 PolarHBondContact O-N 2.78Å; D112-N116 VanDerWaalsContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 2.98Å
113	I	36.8	Very low	41.4	Very low	95 Å²	95	107.6 Å²	107.6	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-70.8	-37	171.8	-68.5	164.1	0	0	0	111.1	L109 L110 Q111	L109-I113 VanDerWaalsContact O-CD1 3.31Å; L109-I113 WeakPolarHBondContact O-CD1 3.47Å; L109-I113 WeakPolarHBondContact O-CG1 3.42Å; L109-I113 PolarHBondContact O-N 2.92Å; L109-I113 VanDerWaalsContact O-N 3.1Å; L110-I113 PolarHBondContact O-N 2.83Å; Q111-I113 VanDerWaalsContact C-N 3.29Å; Q111-I113 PolarHBondContact O-N 3.08Å
114	V	37.3	Very low	42.4	Very low	41 Å²	41	102.9 Å²	102.9	25%	0.248	52%	0.523	C	S	.	.	H	α-helix	trans	-72	-29.5	175.1	172	0	0	0	0	112	L20 L110 Q111 R117	L20-V114 HydrophobicContact CD1-CG2 4.21Å; L20-V114 HydrophobicContact CD2-CG2 3.92Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.24Å; L110-V114 PolarHBondContact O-N 3.07Å; Q111-V114 CarbonylContact O-C 3.51Å; Q111-V114 PolarHBondContact O-N 3.4Å; Q111-V114 VanDerWaalsContact O-N 3.12Å; V114-R117 WeakPolarHBondContact O-CD 3.21Å; V114-R117 WeakPolarHBondContact O-CG 2.92Å; V114-R117 PolarHBondContact O-NE 3.24Å
115	E	43	Very low	43.2	Very low	138 Å²	138	101.7 Å²	101.7	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-80.7	-26.5	175	-80.2	-177.1	-177.6	0	0	112.4	Q111 R117	Q111-E115 PolarHBondContact O-N 2.98Å; E115-R117 PolarHBondContact O-N 2.94Å
116	N	42.1	Very low	43.9	Very low	110 Å²	110	97.2 Å²	97.2	59%	0.588	50%	0.495	S	S	*	.	S	Bend	trans	-73.9	39.8	163.5	-73.2	-57.1	0	0	0	112.1	K35 D112 V118	K35-N116 PolarHBondContact NZ-O 3.29Å; D112-N116 PolarHBondContact O-N 2.78Å; D112-N116 VanDerWaalsContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 2.98Å; N116-V118 PolarHBondContact O-N 3.42Å
117	R	44.3	Very low	44.4	Very low	178 Å²	178	96.9 Å²	96.9	67%	0.672	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-50	128.8	171.6	-100.8	156	-157.2	-137.1	6.5	108.8	V114 E115	V114-R117 WeakPolarHBondContact O-CD 3.21Å; V114-R117 WeakPolarHBondContact O-CG 2.92Å; V114-R117 PolarHBondContact O-NE 3.24Å; E115-R117 PolarHBondContact O-N 2.94Å
118	V	48.6	Very low	45.6	Very low	35 Å²	35	95.3 Å²	95.3	21%	0.212	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-53.1	130.7	158.1	-177.6	0	0	0	0	105.5	K35 N116 T120 V122 E123	K35-V118 HydrophobicContact CB-CG2 3.94Å; K35-V118 HydrophobicContact CD-CG2 3.71Å; N116-V118 PolarHBondContact O-N 3.42Å; V118-T120 PolarHBondContact O-N 3.18Å; V118-V122 HydrophobicContact CG1-CB 3.61Å; V118-V122 HydrophobicContact CG1-CG1 3.45Å; V118-V122 VanDerWaalsContact CG1-CG1 3.45Å; V118-E123 HydrophobicContact CB-CG 4.2Å; V118-E123 HydrophobicContact CG1-CG 4.23Å
119	P	47.7	Very low	46.7	Very low	80 Å²	80	91.9 Å²	91.9	52%	0.519	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-51.3	134.6	-178.9	-24.4	31.5	0	0	0	109.1	E121 V122 E123	P119-E121 PolarHBondContact O-N 2.77Å; P119-V122 HydrophobicContact CB-CG2 4.15Å; P119-V122 HydrophobicContact CG-CG2 4.13Å; P119-V122 WeakPolarHBondContact O-CA 3.49Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 3.38Å; P119-E123 PolarHBondContact O-N 3.47Å
120	T	54.6	Low	47.6	Very low	92 Å²	92	87 Å²	87	56%	0.564	45%	0.445	S	S	*	.	H	α-helix	trans	-50.7	-32.9	-179	-42.5	0	0	0	0	111.7	V118 V122 E123 D124	V118-T120 PolarHBondContact O-N 3.18Å; T120-V122 VanDerWaalsContact C-N 3.34Å; T120-V122 PolarHBondContact O-N 3.08Å; T120-E123 WeakPolarHBondContact O-CB 3.41Å; T120-E123 PolarHBondContact O-N 3.38Å; T120-D124 WeakPolarHBondContact O-CB 3.49Å; T120-D124 PolarHBondContact O-N 2.9Å
121	E	52.2	Low	48.9	Very low	163 Å²	163	86 Å²	86	76%	0.762	44%	0.439	S	S	*	.	H	α-helix	trans	-60.2	-37.9	174	-61.7	-177.6	172.1	0	0	113.9	P119 A125	P119-E121 PolarHBondContact O-N 2.77Å; E121-A125 VanDerWaalsContact O-CB 3.25Å; E121-A125 WeakPolarHBondContact O-CB 3.41Å; E121-A125 PolarHBondContact O-N 3.41Å
122	V	46.9	Very low	50.4	Low	77 Å²	77	85.4 Å²	85.4	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-74.2	-36.6	177.4	174.9	0	0	0	0	110.3	V118 P119 T120 A125 A126	V118-V122 HydrophobicContact CG1-CB 3.61Å; V118-V122 HydrophobicContact CG1-CG1 3.45Å; V118-V122 VanDerWaalsContact CG1-CG1 3.45Å; P119-V122 HydrophobicContact CB-CG2 4.15Å; P119-V122 HydrophobicContact CG-CG2 4.13Å; P119-V122 WeakPolarHBondContact O-CA 3.49Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 3.38Å; T120-V122 VanDerWaalsContact C-N 3.34Å; T120-V122 PolarHBondContact O-N 3.08Å; V122-A125 PolarHBondContact O-N 3.44Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 2.58Å
123	E	50.2	Low	51.8	Low	54 Å²	54	81.8 Å²	81.8	25%	0.252	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-47.5	172.6	-73.9	-172.5	176	0	0	111.3	M37 V118 P119 T120 A125 A126 K127	M37-E123 HydrophobicContact CE-CB 3.55Å; M37-E123 HydrophobicContact CE-CG 3.87Å; M37-E123 WeakPolarHBondContact SD-CA 3.4Å; M37-E123 HydrophobicContact SD-CB 3.81Å; M37-E123 HydrophobicContact SD-CG 4.04Å; V118-E123 HydrophobicContact CB-CG 4.2Å; V118-E123 HydrophobicContact CG1-CG 4.23Å; P119-E123 PolarHBondContact O-N 3.47Å; T120-E123 WeakPolarHBondContact O-CB 3.41Å; T120-E123 PolarHBondContact O-N 3.38Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.29Å; E123-A126 PolarHBondContact O-N 2.99Å; E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.41Å; E123-K127 PolarHBondContact O-N 3.4Å
124	D	56.1	Low	52.9	Low	97 Å²	97	77.7 Å²	77.7	52%	0.519	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-38.5	177.6	-73.6	-28.4	0	0	0	112.1	T120 K128	T120-D124 WeakPolarHBondContact O-CB 3.49Å; T120-D124 PolarHBondContact O-N 2.9Å; D124-K128 WeakPolarHBondContact O-CB 3.47Å; D124-K128 PolarHBondContact O-N 2.9Å
125	A	52.5	Low	54.2	Low	59 Å²	59	80.9 Å²	80.9	49%	0.488	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-46.6	175.5	0	0	0	0	0	112	E121 V122 E123 K128 E129	E121-A125 VanDerWaalsContact O-CB 3.25Å; E121-A125 WeakPolarHBondContact O-CB 3.41Å; E121-A125 PolarHBondContact O-N 3.41Å; V122-A125 PolarHBondContact O-N 3.44Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.29Å; A125-K128 PolarHBondContact O-N 3.47Å; A125-E129 PolarHBondContact O-N 3.38Å
126	A	54.7	Low	55	Low	16 Å²	16	77.1 Å²	77.1	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-41.5	177.3	0	0	0	0	0	111.4	M37 V122 E123 K128 E129 I130	M37-A126 HydrophobicContact SD-CB 3.93Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 2.58Å; E123-A126 PolarHBondContact O-N 2.99Å; A126-K128 PolarHBondContact O-N 3.03Å; A126-E129 PolarHBondContact O-N 2.93Å; A126-I130 WeakPolarHBondContact O-CD1 3.31Å; A126-I130 VanDerWaalsContact O-CG1 3.22Å; A126-I130 WeakPolarHBondContact O-CG1 3.46Å; A126-I130 PolarHBondContact O-N 2.9Å
127	K	57.4	Low	56	Low	82 Å²	82	72.5 Å²	72.5	36%	0.357	37%	0.372	S	S	.	.	H	α-helix	trans	-54.8	-51.9	172.2	167.2	170.5	-170.5	-178.4	0	111.3	L16 E123 E129 I130 E131	L16-K127 HydrophobicContact CD1-CB 3.66Å; L16-K127 HydrophobicContact CD1-CD 3.43Å; L16-K127 VanDerWaalsContact CD1-CD 3.43Å; L16-K127 HydrophobicContact CD1-CG 3.35Å; E123-K127 VanDerWaalsContact O-CB 3.29Å; E123-K127 WeakPolarHBondContact O-CB 3.41Å; E123-K127 PolarHBondContact O-N 3.4Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 3.21Å; K127-I130 PolarHBondContact O-N 3.43Å; K127-E131 WeakPolarHBondContact CE-OE1 3.13Å; K127-E131 HydrophobicContact CG-CG 4.4Å; K127-E131 IonicContact NZ-OE1 2.88Å; K127-E131 WeakPolarHBondContact O-CB 3.28Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 2.82Å
128	K	62.9	Low	56.7	Low	147 Å²	147	64.4 Å²	64.4	64%	0.639	34%	0.343	S	S	*	.	H	α-helix	trans	-62.1	-39.3	-179.1	-172.2	178.6	179.2	-177.9	0	112.1	D124 A125 A126 T132	D124-K128 WeakPolarHBondContact O-CB 3.47Å; D124-K128 PolarHBondContact O-N 2.9Å; A125-K128 PolarHBondContact O-N 3.47Å; A126-K128 PolarHBondContact O-N 3.03Å; K128-T132 WeakPolarHBondContact O-CB 3.1Å; K128-T132 PolarHBondContact O-N 3.37Å; K128-T132 PolarHBondContact O-OG1 2.86Å
129	E	58.4	Low	57.1	Low	106 Å²	106	64.2 Å²	64.2	50%	0.495	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-48.2	175.5	-174.3	-175.5	-167.6	0	0	111.5	A125 A126 K127 T132 A133 R162	A125-E129 PolarHBondContact O-N 3.38Å; A126-E129 PolarHBondContact O-N 2.93Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 3.21Å; E129-T132 PolarHBondContact O-N 3.15Å; E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.07Å; E129-R162 IonicContact OE2-NH1 3.69Å
130	I	54.7	Low	57.4	Low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-46	179.6	-61	160.6	0	0	0	110.6	L39 A126 K127 T132 A133 V134 R162 V163	L39-I130 HydrophobicContact CB-CG2 3.93Å; L39-I130 HydrophobicContact CD1-CB 4.23Å; L39-I130 HydrophobicContact CD1-CG2 3.71Å; L39-I130 HydrophobicContact CD2-CG2 4.35Å; L39-I130 HydrophobicContact CG-CG2 4.22Å; A126-I130 WeakPolarHBondContact O-CD1 3.31Å; A126-I130 VanDerWaalsContact O-CG1 3.22Å; A126-I130 WeakPolarHBondContact O-CG1 3.46Å; A126-I130 PolarHBondContact O-N 2.9Å; K127-I130 PolarHBondContact O-N 3.43Å; I130-T132 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3.32Å; I130-A133 PolarHBondContact O-N 2.88Å; I130-V134 HydrophobicContact CG2-CG2 4.17Å; I130-V134 WeakPolarHBondContact O-CB 3.22Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.42Å; I130-R162 HydrophobicContact CD1-CB 4.05Å; I130-R162 HydrophobicContact CG1-CB 4.39Å; I130-V163 HydrophobicContact CG2-CG2 3.67Å
131	E	60.7	Low	57.4	Low	51 Å²	51	56.9 Å²	56.9	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-45.3	177.7	-75.6	176.8	173	0	0	111.3	A11 L39 K127 A133 V134 E135	A11-E131 HydrophobicContact CB-CB 4.3Å; A11-E131 HydrophobicContact CB-CG 4.29Å; L39-E131 HydrophobicContact CD1-CG 4.35Å; K127-E131 WeakPolarHBondContact CE-OE1 3.13Å; K127-E131 HydrophobicContact CG-CG 4.4Å; K127-E131 IonicContact NZ-OE1 2.88Å; K127-E131 WeakPolarHBondContact O-CB 3.28Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 2.82Å; E131-A133 VanDerWaalsContact C-N 3.34Å; E131-A133 PolarHBondContact O-N 2.82Å; E131-V134 PolarHBondContact O-N 3.33Å; E131-E135 WeakPolarHBondContact O-CB 3.37Å; E131-E135 PolarHBondContact O-N 2.85Å
132	T	65.7	Low	57.3	Low	83 Å²	83	50.1 Å²	50.1	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-42.3	177	-54.8	0	0	0	0	111.1	K128 E129 I130 E135 F136	K128-T132 WeakPolarHBondContact O-CB 3.1Å; K128-T132 PolarHBondContact O-N 3.37Å; K128-T132 PolarHBondContact O-OG1 2.86Å; E129-T132 PolarHBondContact O-N 3.15Å; I130-T132 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3.32Å; T132-E135 PolarHBondContact O-N 3.2Å; T132-F136 VanDerWaalsContact O-CB 3.27Å; T132-F136 WeakPolarHBondContact O-CB 3.43Å; T132-F136 PolarHBondContact O-N 2.72Å
133	A	61.3	Low	57.5	Low	13 Å²	13	48.4 Å²	48.4	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-39.6	178.9	0	0	0	0	0	112.9	E129 I130 E131 F136 F137 L155 L158 F159	E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.07Å; I130-A133 PolarHBondContact O-N 2.88Å; E131-A133 VanDerWaalsContact C-N 3.34Å; E131-A133 PolarHBondContact O-N 2.82Å; A133-F136 PolarHBondContact O-N 3.12Å; A133-F137 WeakPolarHBondContact O-CB 3.33Å; A133-F137 PolarHBondContact O-N 3.35Å; A133-L155 HydrophobicContact CB-CD2 3.77Å; A133-L158 HydrophobicContact CB-CD2 3.24Å; A133-F159 HydrophobicContact CB-CE1 4.14Å; A133-F159 HydrophobicContact CB-CZ 4.33Å
134	V	59.8	Low	57.7	Low	10 Å²	10	50.7 Å²	50.7	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-42.5	174.7	171.6	0	0	0	0	110.4	Y14 I130 E131 F137 A138 F159 V163	Y14-V134 HydrophobicContact CD1-CG1 4.46Å; Y14-V134 HydrophobicContact CE1-CG1 3.75Å; Y14-V134 HydrophobicContact CE2-CG1 4.5Å; I130-V134 HydrophobicContact CG2-CG2 4.17Å; I130-V134 WeakPolarHBondContact O-CB 3.22Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.42Å; E131-V134 PolarHBondContact O-N 3.33Å; V134-F137 PolarHBondContact O-N 2.8Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.16Å; V134-A138 PolarHBondContact O-N 3.29Å; V134-F159 HydrophobicContact CG2-CE1 3.69Å; V134-F159 HydrophobicContact CG2-CZ 4.1Å; V134-V163 HydrophobicContact CG2-CG2 4.35Å
135	E	64	Low	57.8	Low	107 Å²	107	49.5 Å²	49.5	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.5	-176.8	173	-169	0	0	111.6	E131 T132 A138 N139	E131-E135 WeakPolarHBondContact O-CB 3.37Å; E131-E135 PolarHBondContact O-N 2.85Å; T132-E135 PolarHBondContact O-N 3.2Å; E135-A138 PolarHBondContact O-N 2.93Å; E135-N139 WeakPolarHBondContact O-CB 3.07Å; E135-N139 PolarHBondContact O-N 3.36Å; E135-N139 PolarHBondContact O-ND2 3.43Å
136	F	59.9	Low	57.7	Low	60 Å²	60	51 Å²	51	26%	0.263	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-47.2	175.5	178.8	-109.8	0	0	0	111.4	T132 A133 A138 N139 A140 E145 L147 D151 L155	T132-F136 VanDerWaalsContact O-CB 3.27Å; T132-F136 WeakPolarHBondContact O-CB 3.43Å; T132-F136 PolarHBondContact O-N 2.72Å; A133-F136 PolarHBondContact O-N 3.12Å; F136-A138 VanDerWaalsContact C-N 3.35Å; F136-A138 PolarHBondContact O-N 2.78Å; F136-N139 PolarHBondContact O-N 3.22Å; F136-A140 VanDerWaalsContact O-CB 3.31Å; F136-A140 WeakPolarHBondContact O-CB 3.19Å; F136-A140 PolarHBondContact O-N 2.82Å; F136-E145 WeakPolarHBondContact CD2-OE2 3.29Å; F136-E145 HydrophobicContact CE2-CB 4.34Å; F136-L147 HydrophobicContact CD1-CD1 3.91Å; F136-L147 HydrophobicContact CE1-CD1 3.19Å; F136-L147 HydrophobicContact CZ-CD1 3.71Å; F136-D151 HydrophobicContact CE1-CB 4.17Å; F136-L155 HydrophobicContact CD1-CD1 3.98Å; F136-L155 HydrophobicContact CD1-CD2 4.37Å; F136-L155 HydrophobicContact CE1-CD1 4.23Å
137	F	63	Low	57.6	Low	12 Å²	12	51.1 Å²	51.1	5%	0.053	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-45.2	174.2	178.1	-106.4	0	0	0	111.7	A133 V134 A140 F141 F152 L155 F159 L207 M211	A133-F137 WeakPolarHBondContact O-CB 3.33Å; A133-F137 PolarHBondContact O-N 3.35Å; V134-F137 PolarHBondContact O-N 2.8Å; F137-A140 PolarHBondContact O-N 3.43Å; F137-F141 HydrophobicContact CZ-CD2 4.14Å; F137-F141 WeakPolarHBondContact O-CB 3.5Å; F137-F141 PolarHBondContact O-N 2.86Å; F137-F152 HydrophobicContact CE2-CE2 4.44Å; F137-L155 HydrophobicContact CB-CD1 4.03Å; F137-L155 HydrophobicContact CD2-CD1 4.06Å; F137-F159 HydrophobicContact CB-CE2 3.96Å; F137-F159 HydrophobicContact CB-CZ 4.01Å; F137-F159 HydrophobicContact CD1-CE2 4.45Å; F137-F159 HydrophobicContact CD2-CE2 4.44Å; F137-F159 HydrophobicContact CG-CE2 4.01Å; F137-F159 HydrophobicContact CG-CZ 4.5Å; F137-L207 HydrophobicContact CE1-CD1 3.97Å; F137-M211 HydrophobicContact CD2-CE 3.94Å; F137-M211 HydrophobicContact CD2-SD 4.24Å; F137-M211 HydrophobicContact CE1-CG 4.47Å; F137-M211 HydrophobicContact CE2-CE 3.56Å; F137-M211 HydrophobicContact CE2-CG 3.97Å; F137-M211 HydrophobicContact CE2-SD 3.8Å; F137-M211 HydrophobicContact CZ-CE 4.28Å; F137-M211 HydrophobicContact CZ-CG 3.69Å; F137-M211 HydrophobicContact CZ-SD 3.95Å
138	A	59.1	Low	57.4	Low	9 Å²	9	49.5 Å²	49.5	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.9	0	0	0	0	0	111.3	F9 V134 E135 F136 F141 M142	F9-A138 HydrophobicContact CB-CB 4.29Å; V134-A138 VanDerWaalsContact O-CB 3.29Å; V134-A138 WeakPolarHBondContact O-CB 3.16Å; V134-A138 PolarHBondContact O-N 3.29Å; E135-A138 PolarHBondContact O-N 2.93Å; F136-A138 VanDerWaalsContact C-N 3.35Å; F136-A138 PolarHBondContact O-N 2.78Å; A138-F141 PolarHBondContact O-N 3.3Å; A138-M142 WeakPolarHBondContact O-CB 3.33Å; A138-M142 WeakPolarHBondContact O-CG 3.32Å; A138-M142 PolarHBondContact O-N 2.9Å
139	N	56.9	Low	56.8	Low	30 Å²	30	49.4 Å²	49.4	16%	0.16	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-43.5	177.7	-78.3	-28	0	0	0	112	E135 F136 M142 G143 K144 E145	E135-N139 WeakPolarHBondContact O-CB 3.07Å; E135-N139 PolarHBondContact O-N 3.36Å; E135-N139 PolarHBondContact O-ND2 3.43Å; F136-N139 PolarHBondContact O-N 3.22Å; N139-M142 CarbonylContact O-C 3.4Å; N139-M142 WeakPolarHBondContact O-CA 3.45Å; N139-M142 PolarHBondContact O-N 2.85Å; N139-G143 PolarHBondContact O-N 2.78Å; N139-K144 HydrophobicContact CB-CB 4.25Å; N139-K144 WeakPolarHBondContact O-CB 3.05Å; N139-K144 PolarHBondContact O-N 3.13Å; N139-E145 HydrophobicContact CB-CB 4.45Å; N139-E145 HydrophobicContact CB-CG 4.12Å; N139-E145 WeakPolarHBondContact CB-OE2 3.38Å
140	A	54.7	Low	56.5	Low	4 Å²	4	52.1 Å²	52.1	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-47.2	173.2	0	0	0	0	0	112.3	F136 F137 M142 G143 E145 L147	F136-A140 VanDerWaalsContact O-CB 3.31Å; F136-A140 WeakPolarHBondContact O-CB 3.19Å; F136-A140 PolarHBondContact O-N 2.82Å; F137-A140 PolarHBondContact O-N 3.43Å; A140-M142 PolarHBondContact O-N 3.21Å; A140-G143 WeakPolarHBondContact O-CA 3.1Å; A140-G143 PolarHBondContact O-N 3.21Å; A140-E145 WeakPolarHBondContact CA-O 3.4Å; A140-E145 HydrophobicContact CB-CB 4.48Å; A140-L147 HydrophobicContact CB-CB 3.9Å; A140-L147 HydrophobicContact CB-CD1 3.86Å; A140-L147 HydrophobicContact CB-CG 4.35Å
141	F	55.3	Low	56.4	Low	15 Å²	15	55.2 Å²	55.2	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-33	175.8	-164.9	-100.3	0	0	0	111.9	F137 A138 G143 I183	F137-F141 HydrophobicContact CZ-CD2 4.14Å; F137-F141 WeakPolarHBondContact O-CB 3.5Å; F137-F141 PolarHBondContact O-N 2.86Å; A138-F141 PolarHBondContact O-N 3.3Å; F141-G143 PolarHBondContact O-N 2.84Å; F141-I183 HydrophobicContact CZ-CD1 4.23Å
142	M	50.2	Low	56	Low	20 Å²	20	54 Å²	54	10%	0.099	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.2	174.7	-64	-77.1	-91.1	0	0	112.9	A138 N139 A140 K144 T176 R180	A138-M142 WeakPolarHBondContact O-CB 3.33Å; A138-M142 WeakPolarHBondContact O-CG 3.32Å; A138-M142 PolarHBondContact O-N 2.9Å; N139-M142 CarbonylContact O-C 3.4Å; N139-M142 WeakPolarHBondContact O-CA 3.45Å; N139-M142 PolarHBondContact O-N 2.85Å; A140-M142 PolarHBondContact O-N 3.21Å; M142-K144 VanDerWaalsContact C-N 3.27Å; M142-K144 HydrophobicContact CB-CG 4.46Å; M142-K144 PolarHBondContact O-N 2.75Å; M142-T176 HydrophobicContact SD-CG2 3.76Å; M142-R180 VanDerWaalsContact CE-CZ 3.47Å; M142-R180 PolarHBondContact O-NH1 2.96Å; M142-R180 PolarHBondContact SD-NE 3.27Å; M142-R180 VanDerWaalsContact SD-NE 3.38Å; M142-R180 PolarHBondContact SD-NH1 2.95Å; M142-R180 VanDerWaalsContact SD-NH1 3.44Å; M142-R180 PolarHBondContact SD-NH2 3.47Å; M142-R180 VanDerWaalsContact SD-NH2 3.38Å
143	G	51	Low	55.4	Low	41 Å²	41	52.7 Å²	52.7	42%	0.423	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	20.6	-180	0	0	0	0	0	114.4	N139 A140 F141	N139-G143 PolarHBondContact O-N 2.78Å; A140-G143 WeakPolarHBondContact O-CA 3.1Å; A140-G143 PolarHBondContact O-N 3.21Å; F141-G143 PolarHBondContact O-N 2.84Å
144	K	53.3	Low	55.2	Low	103 Å²	103	54.9 Å²	54.9	45%	0.448	31%	0.306	S	S	.	.	S	Bend	trans	-85.3	-27.3	174	-66.5	179.3	177.4	177.6	0	111.9	N139 M142	N139-K144 HydrophobicContact CB-CB 4.25Å; N139-K144 WeakPolarHBondContact O-CB 3.05Å; N139-K144 PolarHBondContact O-N 3.13Å; M142-K144 VanDerWaalsContact C-N 3.27Å; M142-K144 HydrophobicContact CB-CG 4.46Å; M142-K144 PolarHBondContact O-N 2.75Å
145	E	58	Low	55.1	Low	72 Å²	72	55 Å²	55	34%	0.336	31%	0.306	S	S	.	.	S	Bend	trans	-128.3	151.1	179.5	-70.4	177.6	149.1	0	0	109.4	F136 N139 A140	F136-E145 WeakPolarHBondContact CD2-OE2 3.29Å; F136-E145 HydrophobicContact CE2-CB 4.34Å; N139-E145 HydrophobicContact CB-CB 4.45Å; N139-E145 HydrophobicContact CB-CG 4.12Å; N139-E145 WeakPolarHBondContact CB-OE2 3.38Å; A140-E145 WeakPolarHBondContact CA-O 3.4Å; A140-E145 HydrophobicContact CB-CB 4.48Å
146	S	51.5	Low	54.7	Low	90 Å²	90	50.4 Å²	50.4	63%	0.629	29%	0.285	S	S	*	.			trans	-90.4	132.5	174.3	55.2	0	0	0	0	110.1	F225	S146-F225 CarbonylContact C-O 3.49Å; S146-F225 WeakPolarHBondContact CA-O 3.19Å; S146-F225 WeakPolarHBondContact CB-O 3.31Å
147	L	51.2	Low	54.6	Low	19 Å²	19	52.3 Å²	52.3	10%	0.099	30%	0.298	C	S	.	.			trans	-109.3	113.9	-179.4	-159.9	81.9	0	0	0	109.9	F136 A140 D151 F152 L155 F225	F136-L147 HydrophobicContact CD1-CD1 3.91Å; F136-L147 HydrophobicContact CE1-CD1 3.19Å; F136-L147 HydrophobicContact CZ-CD1 3.71Å; A140-L147 HydrophobicContact CB-CB 3.9Å; A140-L147 HydrophobicContact CB-CD1 3.86Å; A140-L147 HydrophobicContact CB-CG 4.35Å; L147-D151 HydrophobicContact CD1-CB 3.93Å; L147-D151 HydrophobicContact CG-CB 4.12Å; L147-F152 HydrophobicContact CD2-CB 3.61Å; L147-F152 HydrophobicContact CD2-CD2 3.51Å; L147-F152 HydrophobicContact CD2-CG 4.04Å; L147-F152 HydrophobicContact CG-CB 4.31Å; L147-L155 HydrophobicContact CD1-CD1 3.62Å; L147-L155 HydrophobicContact CD2-CD1 4.22Å; L147-F225 HydrophobicContact CB-CB 4.18Å; L147-F225 PolarHBondContact N-O 3.37Å; L147-F225 VanDerWaalsContact N-O 3.17Å
148	S	54.5	Low	54.3	Low	48 Å²	48	53.3 Å²	53.3	34%	0.336	30%	0.303	S	S	.	.			trans	-70.4	160.3	172.5	80.6	0	0	0	0	110.7	Q150 D151 F152	S148-Q150 PolarHBondContact O-N 3.4Å; S148-Q150 PolarHBondContact OG-N 3.19Å; S148-D151 VanDerWaalsContact CB-OD2 3.23Å; S148-D151 WeakPolarHBondContact CB-OD2 3.32Å; S148-D151 PolarHBondContact N-OD2 3.42Å; S148-D151 VanDerWaalsContact N-OD2 3.14Å; S148-D151 PolarHBondContact O-N 3.23Å; S148-D151 PolarHBondContact OG-N 3.1Å; S148-D151 PolarHBondContact OG-OD2 2.83Å; S148-F152 PolarHBondContact O-N 3.45Å
149	I	48.7	Very low	54.2	Low	144 Å²	144	52.9 Å²	52.9	74%	0.738	30%	0.3	S	S	*	.	H	α-helix	trans	-60.9	-33.8	175	-66.1	169.6	0	0	0	110.9	S153	I149-S153 PolarHBondContact O-N 3.09Å
150	Q	52.9	Low	54.2	Low	163 Å²	163	54.9 Å²	54.9	76%	0.762	31%	0.311	S	S	*	.	H	α-helix	trans	-66.6	-45.2	175.9	-69.5	179.1	-6.9	0	0	110.7	S148 F152 S153 A154	S148-Q150 PolarHBondContact O-N 3.4Å; S148-Q150 PolarHBondContact OG-N 3.19Å; Q150-F152 PolarHBondContact O-N 3.12Å; Q150-S153 PolarHBondContact O-N 3.13Å; Q150-A154 PolarHBondContact O-N 3.14Å
151	D	52.6	Low	53.9	Low	66 Å²	66	62.3 Å²	62.3	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-42	176.9	-56.7	-40.5	0	0	0	111.3	F136 L147 S148 S153 A154 L155	F136-D151 HydrophobicContact CE1-CB 4.17Å; L147-D151 HydrophobicContact CD1-CB 3.93Å; L147-D151 HydrophobicContact CG-CB 4.12Å; S148-D151 VanDerWaalsContact CB-OD2 3.23Å; S148-D151 WeakPolarHBondContact CB-OD2 3.32Å; S148-D151 PolarHBondContact N-OD2 3.42Å; S148-D151 VanDerWaalsContact N-OD2 3.14Å; S148-D151 PolarHBondContact O-N 3.23Å; S148-D151 PolarHBondContact OG-N 3.1Å; S148-D151 PolarHBondContact OG-OD2 2.83Å; D151-S153 VanDerWaalsContact C-N 3.33Å; D151-S153 PolarHBondContact O-N 2.95Å; D151-A154 PolarHBondContact O-N 3.43Å; D151-L155 WeakPolarHBondContact O-CB 3.25Å; D151-L155 VanDerWaalsContact O-CG 3.24Å; D151-L155 WeakPolarHBondContact O-CG 3.17Å; D151-L155 PolarHBondContact O-N 3.44Å
152	F	52.5	Low	53.6	Low	24 Å²	24	63.9 Å²	63.9	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-42.6	174.9	-174	-99.1	0	0	0	111.8	F137 L147 S148 Q150 L155 L156 M211 R215	F137-F152 HydrophobicContact CE2-CE2 4.44Å; L147-F152 HydrophobicContact CD2-CB 3.61Å; L147-F152 HydrophobicContact CD2-CD2 3.51Å; L147-F152 HydrophobicContact CD2-CG 4.04Å; L147-F152 HydrophobicContact CG-CB 4.31Å; S148-F152 PolarHBondContact O-N 3.45Å; Q150-F152 PolarHBondContact O-N 3.12Å; F152-L155 PolarHBondContact O-N 3.17Å; F152-L156 HydrophobicContact CD1-CD1 3.69Å; F152-L156 HydrophobicContact CD1-CG 4.12Å; F152-L156 HydrophobicContact CE1-CD1 3.45Å; F152-L156 VanDerWaalsContact CE1-CD1 3.45Å; F152-L156 HydrophobicContact CE1-CD2 4.24Å; F152-L156 HydrophobicContact CE1-CG 3.94Å; F152-L156 HydrophobicContact CZ-CD1 4.31Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CG 4.42Å; F152-L156 VanDerWaalsContact O-CG 3.29Å; F152-L156 WeakPolarHBondContact O-CG 3.43Å; F152-L156 PolarHBondContact O-N 3.46Å; F152-M211 HydrophobicContact CD2-CE 3.42Å; F152-M211 VanDerWaalsContact CD2-CE 3.42Å; F152-M211 HydrophobicContact CE1-CE 4.31Å; F152-M211 HydrophobicContact CE2-CB 4.36Å; F152-M211 HydrophobicContact CE2-CE 3.14Å; F152-M211 HydrophobicContact CE2-CG 4.45Å; F152-M211 HydrophobicContact CG-CE 4.14Å; F152-M211 HydrophobicContact CZ-CB 4.01Å; F152-M211 HydrophobicContact CZ-CE 3.65Å; F152-R215 HydrophobicContact CE1-CG 4.37Å; F152-R215 HydrophobicContact CZ-CB 4.48Å
153	S	52.1	Low	53.7	Low	57 Å²	57	63 Å²	63	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-43.4	176.8	-162.4	0	0	0	0	111.8	I149 Q150 D151 L155 L156 D157	I149-S153 PolarHBondContact O-N 3.09Å; Q150-S153 PolarHBondContact O-N 3.13Å; D151-S153 VanDerWaalsContact C-N 3.33Å; D151-S153 PolarHBondContact O-N 2.95Å; S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 3.37Å; S153-L156 WeakPolarHBondContact O-CB 3.43Å; S153-L156 PolarHBondContact O-N 2.86Å; S153-D157 PolarHBondContact O-N 3.44Å
154	A	58.2	Low	53.8	Low	59 Å²	59	62.4 Å²	62.4	49%	0.488	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-40.6	177	0	0	0	0	0	111.7	Q150 D151 D157 L158	Q150-A154 PolarHBondContact O-N 3.14Å; D151-A154 PolarHBondContact O-N 3.43Å; A154-D157 PolarHBondContact O-N 3.14Å; A154-L158 WeakPolarHBondContact O-CB 3.23Å; A154-L158 PolarHBondContact O-N 2.84Å
155	L	58	Low	53.8	Low	11 Å²	11	57.7 Å²	57.7	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-42.7	173.7	-72.7	173.8	0	0	0	111.8	A133 F136 F137 L147 D151 F152 S153 D157 L158 F159 M211	A133-L155 HydrophobicContact CB-CD2 3.77Å; F136-L155 HydrophobicContact CD1-CD1 3.98Å; F136-L155 HydrophobicContact CD1-CD2 4.37Å; F136-L155 HydrophobicContact CE1-CD1 4.23Å; F137-L155 HydrophobicContact CB-CD1 4.03Å; F137-L155 HydrophobicContact CD2-CD1 4.06Å; L147-L155 HydrophobicContact CD1-CD1 3.62Å; L147-L155 HydrophobicContact CD2-CD1 4.22Å; D151-L155 WeakPolarHBondContact O-CB 3.25Å; D151-L155 VanDerWaalsContact O-CG 3.24Å; D151-L155 WeakPolarHBondContact O-CG 3.17Å; D151-L155 PolarHBondContact O-N 3.44Å; F152-L155 PolarHBondContact O-N 3.17Å; S153-L155 VanDerWaalsContact C-N 3.32Å; S153-L155 PolarHBondContact O-N 3.37Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 3.46Å; L155-L158 PolarHBondContact O-N 3.37Å; L155-F159 HydrophobicContact CB-CD2 4.13Å; L155-F159 HydrophobicContact CB-CE2 3.82Å; L155-F159 HydrophobicContact CB-CZ 4.47Å; L155-F159 HydrophobicContact CD2-CE2 4.02Å; L155-F159 HydrophobicContact CD2-CZ 3.84Å; L155-F159 HydrophobicContact CG-CE2 4.37Å; L155-F159 VanDerWaalsContact O-CB 3.24Å; L155-F159 WeakPolarHBondContact O-CB 3.38Å; L155-F159 WeakPolarHBondContact O-CD2 3.44Å; L155-F159 WeakPolarHBondContact O-CG 3.32Å; L155-F159 PolarHBondContact O-N 2.89Å; L155-M211 HydrophobicContact CB-CE 4.35Å
156	L	54.8	Low	53.8	Low	11 Å²	11	55.4 Å²	55.4	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-58.4	-45.6	174.6	-73.6	173.1	0	0	0	111.4	F152 S153 F159 D160 R208 M211	F152-L156 HydrophobicContact CD1-CD1 3.69Å; F152-L156 HydrophobicContact CD1-CG 4.12Å; F152-L156 HydrophobicContact CE1-CD1 3.45Å; F152-L156 VanDerWaalsContact CE1-CD1 3.45Å; F152-L156 HydrophobicContact CE1-CD2 4.24Å; F152-L156 HydrophobicContact CE1-CG 3.94Å; F152-L156 HydrophobicContact CZ-CD1 4.31Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CG 4.42Å; F152-L156 VanDerWaalsContact O-CG 3.29Å; F152-L156 WeakPolarHBondContact O-CG 3.43Å; F152-L156 PolarHBondContact O-N 3.46Å; S153-L156 WeakPolarHBondContact O-CB 3.43Å; S153-L156 PolarHBondContact O-N 2.86Å; L156-F159 PolarHBondContact O-N 3.48Å; L156-D160 WeakPolarHBondContact O-CB 3.38Å; L156-D160 PolarHBondContact O-N 2.86Å; L156-R208 HydrophobicContact CB-CG 4.48Å; L156-R208 HydrophobicContact CD2-CB 4.39Å; L156-R208 HydrophobicContact CD2-CG 3.81Å; L156-M211 HydrophobicContact CD2-CB 3.44Å; L156-M211 VanDerWaalsContact CD2-CB 3.44Å; L156-M211 HydrophobicContact CD2-CE 3.58Å; L156-M211 HydrophobicContact CD2-CG 4.21Å; L156-M211 HydrophobicContact CD2-SD 3.77Å; L156-M211 HydrophobicContact CG-CE 3.82Å
157	D	58.1	Low	54.1	Low	100 Å²	100	53.3 Å²	53.3	54%	0.535	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-38.1	-179.9	-71.7	-19.7	0	0	0	111.7	S153 A154 L155	S153-D157 PolarHBondContact O-N 3.44Å; A154-D157 PolarHBondContact O-N 3.14Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 3.46Å
158	L	56.6	Low	54.5	Low	33 Å²	33	57.2 Å²	57.2	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-43.6	174.2	-174.5	70.5	0	0	0	111.3	A133 A154 L155 R162	A133-L158 HydrophobicContact CB-CD2 3.24Å; A154-L158 WeakPolarHBondContact O-CB 3.23Å; A154-L158 PolarHBondContact O-N 2.84Å; L155-L158 PolarHBondContact O-N 3.37Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.9Å
159	F	57.4	Low	54.7	Low	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-78.4	-31.1	-175.2	-64.2	-30	0	0	0	113.9	A133 V134 F137 L155 L156 R161 R162 V163 L207 M211	A133-F159 HydrophobicContact CB-CE1 4.14Å; A133-F159 HydrophobicContact CB-CZ 4.33Å; V134-F159 HydrophobicContact CG2-CE1 3.69Å; V134-F159 HydrophobicContact CG2-CZ 4.1Å; F137-F159 HydrophobicContact CB-CE2 3.96Å; F137-F159 HydrophobicContact CB-CZ 4.01Å; F137-F159 HydrophobicContact CD1-CE2 4.45Å; F137-F159 HydrophobicContact CD2-CE2 4.44Å; F137-F159 HydrophobicContact CG-CE2 4.01Å; F137-F159 HydrophobicContact CG-CZ 4.5Å; L155-F159 HydrophobicContact CB-CD2 4.13Å; L155-F159 HydrophobicContact CB-CE2 3.82Å; L155-F159 HydrophobicContact CB-CZ 4.47Å; L155-F159 HydrophobicContact CD2-CE2 4.02Å; L155-F159 HydrophobicContact CD2-CZ 3.84Å; L155-F159 HydrophobicContact CG-CE2 4.37Å; L155-F159 VanDerWaalsContact O-CB 3.24Å; L155-F159 WeakPolarHBondContact O-CB 3.38Å; L155-F159 WeakPolarHBondContact O-CD2 3.44Å; L155-F159 WeakPolarHBondContact O-CG 3.32Å; L155-F159 PolarHBondContact O-N 2.89Å; L156-F159 PolarHBondContact O-N 3.48Å; F159-R161 PolarHBondContact O-N 3.48Å; F159-R161 VanDerWaalsContact O-N 3.11Å; F159-R162 PolarHBondContact O-N 3.19Å; F159-V163 HydrophobicContact CB-CB 4.14Å; F159-V163 HydrophobicContact CD1-CB 3.84Å; F159-V163 HydrophobicContact CD1-CG1 4.47Å; F159-V163 HydrophobicContact CD1-CG2 3.4Å; F159-V163 HydrophobicContact CE1-CG2 3.98Å; F159-V163 HydrophobicContact CG-CB 4.26Å; F159-V163 HydrophobicContact CG-CG2 4.3Å; F159-V163 PolarHBondContact O-N 2.78Å; F159-L207 HydrophobicContact CB-CB 4.21Å; F159-L207 HydrophobicContact CB-CD2 4.22Å; F159-L207 HydrophobicContact CB-CG 4.29Å; F159-L207 HydrophobicContact CD1-CD2 3.95Å; F159-L207 HydrophobicContact CD2-CD2 3.3Å; F159-L207 HydrophobicContact CD2-CG 3.75Å; F159-L207 HydrophobicContact CE1-CD2 4.05Å; F159-L207 HydrophobicContact CE2-CD2 3.43Å; F159-L207 VanDerWaalsContact CE2-CD2 3.43Å; F159-L207 HydrophobicContact CE2-CG 4.23Å; F159-L207 HydrophobicContact CG-CB 4.46Å; F159-L207 HydrophobicContact CG-CD2 3.57Å; F159-L207 HydrophobicContact CG-CG 4.09Å; F159-L207 HydrophobicContact CZ-CD2 3.8Å; F159-M211 HydrophobicContact CD2-SD 3.64Å; F159-M211 HydrophobicContact CE2-SD 4.04Å
160	D	55.7	Low	55.4	Low	73 Å²	73	48.3 Å²	48.3	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-52.3	-35.8	176.1	-156.6	24	0	0	0	111.9	L156 R208	L156-D160 WeakPolarHBondContact O-CB 3.38Å; L156-D160 PolarHBondContact O-N 2.86Å; D160-R208 HydrophobicContact CB-CB 4.45Å; D160-R208 WeakPolarHBondContact OD1-CD 3.22Å; D160-R208 IonicContact OD1-NE 3.82Å; D160-R208 IonicContact OD1-NH1 3.69Å; D160-R208 IonicContact OD2-NE 3.42Å
161	R	50	Low	56	Low	159 Å²	159	41.5 Å²	41.5	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-98.7	-20.6	-173.2	-63.2	-173.7	179.7	-173.9	2	113.9	F159	F159-R161 PolarHBondContact O-N 3.48Å; F159-R161 VanDerWaalsContact O-N 3.11Å
162	R	49.5	Very low	56.4	Low	48 Å²	48	40.7 Å²	40.7	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-134.4	-6.5	-161	-60.2	-177.4	173.5	-178	-4	114.7	D36 M37 V38 L39 E129 I130 L158 F159	D36-R162 HydrophobicContact CB-CG 4.49Å; D36-R162 IonicContact OD1-CZ 3.79Å; D36-R162 IonicContact OD1-NE 3.89Å; D36-R162 IonicContact OD1-NH2 3.92Å; D36-R162 PolarHBondContact OD1-NH2 3.31Å; M37-R162 WeakPolarHBondContact O-CB 3.2Å; M37-R162 WeakPolarHBondContact O-CG 3.38Å; V38-R162 CarbonylContact C-O 3.5Å; V38-R162 WeakPolarHBondContact CA-O 3.35Å; L39-R162 PolarHBondContact N-O 2.85Å; E129-R162 IonicContact OE2-NH1 3.69Å; I130-R162 HydrophobicContact CD1-CB 4.05Å; I130-R162 HydrophobicContact CG1-CB 4.39Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.9Å; F159-R162 PolarHBondContact O-N 3.19Å
163	V	50.6	Low	56.8	Low	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	114.3	-173.1	-178.1	0	0	0	0	113.3	L39 C41 I130 V134 F159 L207	L39-V163 HydrophobicContact CB-CG2 4.46Å; L39-V163 WeakPolarHBondContact O-CA 3.43Å; C41-V163 HydrophobicContact CB-CG1 4.25Å; C41-V163 WeakPolarHBondContact SG-CG1 3.11Å; I130-V163 HydrophobicContact CG2-CG2 3.67Å; V134-V163 HydrophobicContact CG2-CG2 4.35Å; F159-V163 HydrophobicContact CB-CB 4.14Å; F159-V163 HydrophobicContact CD1-CB 3.84Å; F159-V163 HydrophobicContact CD1-CG1 4.47Å; F159-V163 HydrophobicContact CD1-CG2 3.4Å; F159-V163 HydrophobicContact CE1-CG2 3.98Å; F159-V163 HydrophobicContact CG-CB 4.26Å; F159-V163 HydrophobicContact CG-CG2 4.3Å; F159-V163 PolarHBondContact O-N 2.78Å; V163-L207 HydrophobicContact CB-CB 4.3Å; V163-L207 HydrophobicContact CB-CD2 4.41Å; V163-L207 HydrophobicContact CG1-CB 3.86Å; V163-L207 HydrophobicContact CG1-CD2 3.79Å; V163-L207 PolarHBondContact O-N 3.31Å
164	I	54.9	Low	57.5	Low	28 Å²	28	37.4 Å²	37.4	14%	0.144	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132	176.7	-61.5	178.3	0	0	0	108.8	V38 L39 A40 C41	V38-I164 HydrophobicContact CG1-CB 4.44Å; V38-I164 HydrophobicContact CG1-CD1 3.54Å; V38-I164 HydrophobicContact CG1-CG1 3.65Å; L39-I164 PolarHBondContact O-N 3.42Å; A40-I164 CarbonylContact C-O 3.54Å; A40-I164 WeakPolarHBondContact CA-O 3.31Å; C41-I164 PolarHBondContact N-O 2.86Å
165	L	52.7	Low	57.9	Low	5 Å²	5	36 Å²	36	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.6	170.1	-72.3	167.8	0	0	0	110.3	C41 A170 L173 C205 L207 F210	C41-L165 HydrophobicContact CB-CD2 3.38Å; C41-L165 HydrophobicContact CB-CG 4.3Å; C41-L165 WeakPolarHBondContact O-CA 3.42Å; L165-A170 HydrophobicContact CB-CB 4.18Å; L165-A170 HydrophobicContact CD1-CB 4.21Å; L165-L173 HydrophobicContact CD1-CD1 3.72Å; L165-L173 HydrophobicContact CD2-CD1 3.61Å; L165-L173 HydrophobicContact CG-CD1 4.35Å; L165-C205 PolarHBondContact N-O 3.42Å; L165-C205 PolarHBondContact O-N 2.88Å; L165-L207 HydrophobicContact CD1-CB 4.07Å; L165-L207 HydrophobicContact CD1-CD1 3.64Å; L165-L207 HydrophobicContact CD1-CG 4.44Å; L165-L207 HydrophobicContact CG-CB 4.11Å; L165-L207 HydrophobicContact CG-CD1 4.3Å; L165-F210 HydrophobicContact CD1-CB 3.89Å; L165-F210 HydrophobicContact CD1-CD2 4.33Å; L165-F210 HydrophobicContact CD1-CG 4Å
166	S	57.1	Low	58.1	Low	24 Å²	24	36.7 Å²	36.7	17%	0.168	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	153	159.8	62.9	0	0	0	0	110.3	C41 G42 Q168 G169 A170	C41-S166 PolarHBondContact O-N 3.37Å; C41-S166 PolarHBondContact O-OG 2.82Å; G42-S166 WeakPolarHBondContact CA-OG 3.35Å; S166-Q168 PolarHBondContact O-N 3.34Å; S166-G169 PolarHBondContact O-N 2.9Å; S166-G169 VanDerWaalsContact O-N 3.08Å; S166-G169 PolarHBondContact OG-N 2.72Å; S166-A170 WeakPolarHBondContact O-CB 3.41Å; S166-A170 PolarHBondContact O-N 3.33Å
167	N	58.9	Low	58.4	Low	46 Å²	46	36.1 Å²	36.1	25%	0.246	18%	0.179	C	C	.	.	H	α-helix	trans	-55.1	-37.5	173.8	-84.2	-18	0	0	0	112.6	T171 C202	N167-T171 VanDerWaalsContact O-CB 3.28Å; N167-T171 WeakPolarHBondContact O-CB 3.23Å; N167-T171 PolarHBondContact O-N 3.02Å; N167-T171 PolarHBondContact O-OG1 3.45Å; N167-C202 PolarHBondContact ND2-O 2.97Å
168	Q	59	Low	58.7	Low	101 Å²	101	35.3 Å²	35.3	47%	0.472	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-48	175.1	-172.3	60.2	46.1	0	0	111.3	P43 S166 A170 T171 D172	P43-Q168 HydrophobicContact CG-CB 4.26Å; P43-Q168 HydrophobicContact CG-CG 3.68Å; S166-Q168 PolarHBondContact O-N 3.34Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 2.86Å; Q168-T171 CarbonylContact O-C 3.59Å; Q168-T171 WeakPolarHBondContact O-CB 3.47Å; Q168-T171 PolarHBondContact O-N 3.23Å; Q168-T171 VanDerWaalsContact O-N 3.1Å; Q168-D172 PolarHBondContact NE2-OD1 2.77Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.84Å
169	G	59.2	Low	59.3	Low	4 Å²	4	41.8 Å²	41.8	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-41.1	176.8	0	0	0	0	0	113	S166 D172 L173	S166-G169 PolarHBondContact O-N 2.9Å; S166-G169 VanDerWaalsContact O-N 3.08Å; S166-G169 PolarHBondContact OG-N 2.72Å; G169-D172 PolarHBondContact O-N 2.88Å; G169-L173 WeakPolarHBondContact O-CB 3.02Å; G169-L173 WeakPolarHBondContact O-CG 2.98Å; G169-L173 PolarHBondContact O-N 3.09Å
170	A	62.7	Low	59.6	Low	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-41.7	173.1	0	0	0	0	0	111.6	L165 S166 Q168 L173 A174 L195 F210	L165-A170 HydrophobicContact CB-CB 4.18Å; L165-A170 HydrophobicContact CD1-CB 4.21Å; S166-A170 WeakPolarHBondContact O-CB 3.41Å; S166-A170 PolarHBondContact O-N 3.33Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 2.86Å; A170-L173 PolarHBondContact O-N 3.11Å; A170-A174 WeakPolarHBondContact O-CB 3.27Å; A170-A174 PolarHBondContact O-N 3.27Å; A170-L195 HydrophobicContact CB-CD1 3.74Å; A170-L195 HydrophobicContact CB-CD2 3.73Å; A170-L195 HydrophobicContact CB-CG 4.41Å; A170-F210 HydrophobicContact CB-CD2 4.05Å; A170-F210 HydrophobicContact CB-CE2 4.35Å; A170-F210 WeakPolarHBondContact O-CE2 2.98Å
171	T	64.9	Low	59.8	Low	21 Å²	21	44.4 Å²	44.4	13%	0.129	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-41.2	176.7	-60	0	0	0	0	111.7	N167 Q168 A174 D175	N167-T171 VanDerWaalsContact O-CB 3.28Å; N167-T171 WeakPolarHBondContact O-CB 3.23Å; N167-T171 PolarHBondContact O-N 3.02Å; N167-T171 PolarHBondContact O-OG1 3.45Å; Q168-T171 CarbonylContact O-C 3.59Å; Q168-T171 WeakPolarHBondContact O-CB 3.47Å; Q168-T171 PolarHBondContact O-N 3.23Å; Q168-T171 VanDerWaalsContact O-N 3.1Å; T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.26Å; T171-D175 WeakPolarHBondContact O-CB 3.36Å; T171-D175 PolarHBondContact O-N 3.32Å
172	D	62.8	Low	60.1	Low	48 Å²	48	39.3 Å²	39.3	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-67.2	-38.7	178.7	-67	-22.5	0	0	0	111.7	Q168 G169 T176	Q168-D172 PolarHBondContact NE2-OD1 2.77Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.84Å; G169-D172 PolarHBondContact O-N 2.88Å; D172-T176 WeakPolarHBondContact O-CB 3.24Å; D172-T176 PolarHBondContact O-N 3.24Å; D172-T176 PolarHBondContact O-OG1 3.48Å
173	L	60.8	Low	60.6	Low	12 Å²	12	37.2 Å²	37.2	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-44.8	171.9	-78.6	167	0	0	0	111.4	F9 L165 G169 A170 T176 G177 L207 F210	F9-L173 HydrophobicContact CD1-CD2 4.26Å; F9-L173 HydrophobicContact CE1-CD2 3.52Å; F9-L173 HydrophobicContact CE1-CG 3.72Å; F9-L173 HydrophobicContact CE2-CD2 4.31Å; F9-L173 HydrophobicContact CZ-CD2 3.56Å; F9-L173 HydrophobicContact CZ-CG 3.97Å; L165-L173 HydrophobicContact CD1-CD1 3.72Å; L165-L173 HydrophobicContact CD2-CD1 3.61Å; L165-L173 HydrophobicContact CG-CD1 4.35Å; G169-L173 WeakPolarHBondContact O-CB 3.02Å; G169-L173 WeakPolarHBondContact O-CG 2.98Å; G169-L173 PolarHBondContact O-N 3.09Å; A170-L173 PolarHBondContact O-N 3.11Å; L173-T176 PolarHBondContact O-N 3.28Å; L173-G177 PolarHBondContact O-N 3.35Å; L173-L207 HydrophobicContact CD1-CD1 4.4Å; L173-F210 HydrophobicContact CB-CE1 3.88Å; L173-F210 HydrophobicContact CB-CE2 4Å; L173-F210 HydrophobicContact CB-CZ 3.44Å; L173-F210 VanDerWaalsContact CB-CZ 3.44Å; L173-F210 HydrophobicContact CD1-CE1 4.41Å
174	A	65.1	Low	61.2	Low	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-48.3	176.5	0	0	0	0	0	111.5	A170 T171 T176 G177 Y178 Y188 L191 F210	A170-A174 WeakPolarHBondContact O-CB 3.27Å; A170-A174 PolarHBondContact O-N 3.27Å; T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.26Å; A174-T176 VanDerWaalsContact C-N 3.33Å; A174-T176 PolarHBondContact O-N 3.4Å; A174-G177 PolarHBondContact O-N 2.68Å; A174-Y178 WeakPolarHBondContact O-CB 3.4Å; A174-Y178 PolarHBondContact O-N 3.19Å; A174-Y188 HydrophobicContact CB-CD2 4.17Å; A174-Y188 HydrophobicContact CB-CE2 4.27Å; A174-L191 HydrophobicContact CB-CD2 3.38Å; A174-L191 HydrophobicContact CB-CG 4.09Å; A174-F210 HydrophobicContact CB-CE2 4.16Å; A174-F210 HydrophobicContact CB-CZ 4.37Å
175	D	67.1	Low	62.2	Low	30 Å²	30	46 Å²	46	16%	0.16	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-43.3	178.4	-83	-3.4	0	0	0	111.2	T171 K179 Y188 K192	T171-D175 WeakPolarHBondContact O-CB 3.36Å; T171-D175 PolarHBondContact O-N 3.32Å; D175-K179 WeakPolarHBondContact O-CB 3.44Å; D175-K179 VanDerWaalsContact O-CG 3.24Å; D175-K179 WeakPolarHBondContact O-CG 3.38Å; D175-K179 PolarHBondContact O-N 3.42Å; D175-Y188 WeakPolarHBondContact OD1-CE2 3.31Å; D175-Y188 PolarHBondContact OD1-OH 3.37Å; D175-K192 WeakPolarHBondContact OD1-CE 3.49Å; D175-K192 IonicContact OD1-NZ 2.84Å; D175-K192 PolarHBondContact OD1-NZ 3.48Å; D175-K192 IonicContact OD2-NZ 3.51Å
176	T	62	Low	63.1	Low	25 Å²	25	51.1 Å²	51.1	15%	0.153	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-45.9	178.5	-59.5	0	0	0	0	111.4	F9 M142 D172 L173 A174 Y178 K179 R180	F9-T176 HydrophobicContact CE2-CG2 4.39Å; M142-T176 HydrophobicContact SD-CG2 3.76Å; D172-T176 WeakPolarHBondContact O-CB 3.24Å; D172-T176 PolarHBondContact O-N 3.24Å; D172-T176 PolarHBondContact O-OG1 3.48Å; L173-T176 PolarHBondContact O-N 3.28Å; A174-T176 VanDerWaalsContact C-N 3.33Å; A174-T176 PolarHBondContact O-N 3.4Å; T176-Y178 VanDerWaalsContact C-N 3.33Å; T176-Y178 PolarHBondContact O-N 2.74Å; T176-K179 PolarHBondContact O-N 3.06Å; T176-R180 WeakPolarHBondContact O-CB 3.38Å; T176-R180 WeakPolarHBondContact O-CG 3.04Å; T176-R180 PolarHBondContact O-N 3.41Å
177	G	62.4	Low	63.4	Low	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-40.2	178.2	0	0	0	0	0	112.6	L173 A174 G181 R182 I183	L173-G177 PolarHBondContact O-N 3.35Å; A174-G177 PolarHBondContact O-N 2.68Å; G177-G181 PolarHBondContact O-N 3Å; G177-R182 PolarHBondContact O-N 3.42Å; G177-I183 PolarHBondContact O-N 3.41Å; G177-I183 VanDerWaalsContact O-N 3.14Å
178	Y	64.2	Low	63.9	Low	83 Å²	83	50.4 Å²	50.4	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-49.9	175	177.6	-117	0	0	0	112.3	A174 T176 R180 G181 I183 K185 Y188	A174-Y178 WeakPolarHBondContact O-CB 3.4Å; A174-Y178 PolarHBondContact O-N 3.19Å; T176-Y178 VanDerWaalsContact C-N 3.33Å; T176-Y178 PolarHBondContact O-N 2.74Å; Y178-R180 PolarHBondContact O-N 2.95Å; Y178-R180 VanDerWaalsContact O-N 3.12Å; Y178-G181 PolarHBondContact O-N 2.62Å; Y178-I183 WeakPolarHBondContact CD2-O 3.38Å; Y178-K185 VanDerWaalsContact CE2-CA 3.48Å; Y178-K185 HydrophobicContact CE2-CB 3.65Å; Y178-K185 HydrophobicContact CE2-CG 3.95Å; Y178-Y188 AromaticContact CD1-CD1 3.89Å; Y178-Y188 HydrophobicContact CD1-CD1 3.89Å; Y178-Y188 AromaticContact CD1-CE1 3.9Å; Y178-Y188 HydrophobicContact CD1-CE1 3.9Å; Y178-Y188 HydrophobicContact CD1-CG 4.17Å; Y178-Y188 HydrophobicContact CD2-CD1 4.2Å; Y178-Y188 HydrophobicContact CD2-CG 4.08Å; Y178-Y188 HydrophobicContact CE1-CD1 4.28Å; Y178-Y188 HydrophobicContact CE1-CE1 4.28Å; Y178-Y188 AromaticContact CG-CD1 3.85Å; Y178-Y188 HydrophobicContact CG-CD1 3.85Å; Y178-Y188 HydrophobicContact CG-CD2 4.09Å; Y178-Y188 HydrophobicContact CG-CE1 4.28Å; Y178-Y188 HydrophobicContact CG-CE2 4.5Å; Y178-Y188 AromaticContact CG-CG 3.7Å; Y178-Y188 HydrophobicContact CG-CG 3.7Å
179	K	69.3	Low	64.4	Low	169 Å²	169	50.1 Å²	50.1	74%	0.735	24%	0.238	S	C	*	.	H	α-helix	trans	-58.3	-27.6	178.2	-76	172.4	-176.8	170.8	0	112.7	D175 T176	D175-K179 WeakPolarHBondContact O-CB 3.44Å; D175-K179 VanDerWaalsContact O-CG 3.24Å; D175-K179 WeakPolarHBondContact O-CG 3.38Å; D175-K179 PolarHBondContact O-N 3.42Å; T176-K179 PolarHBondContact O-N 3.06Å
180	R	62.9	Low	64.6	Low	91 Å²	91	57.8 Å²	57.8	34%	0.343	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.2	177.4	-67.5	-174.8	174.7	-132.8	-2.8	114.3	M142 T176 Y178 R182	M142-R180 VanDerWaalsContact CE-CZ 3.47Å; M142-R180 PolarHBondContact O-NH1 2.96Å; M142-R180 PolarHBondContact SD-NE 3.27Å; M142-R180 VanDerWaalsContact SD-NE 3.38Å; M142-R180 PolarHBondContact SD-NH1 2.95Å; M142-R180 VanDerWaalsContact SD-NH1 3.44Å; M142-R180 PolarHBondContact SD-NH2 3.47Å; M142-R180 VanDerWaalsContact SD-NH2 3.38Å; T176-R180 WeakPolarHBondContact O-CB 3.38Å; T176-R180 WeakPolarHBondContact O-CG 3.04Å; T176-R180 PolarHBondContact O-N 3.41Å; Y178-R180 PolarHBondContact O-N 2.95Å; Y178-R180 VanDerWaalsContact O-N 3.12Å; R180-R182 HydrophobicContact CB-CG 4.35Å; R180-R182 PolarHBondContact O-N 2.88Å
181	G	60.9	Low	64.7	Low	36 Å²	36	58.1 Å²	58.1	37%	0.371	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	10.4	178.6	0	0	0	0	0	115	G177 Y178 Y221	G177-G181 PolarHBondContact O-N 3Å; Y178-G181 PolarHBondContact O-N 2.62Å; G181-Y221 PolarHBondContact O-OH 3.43Å
182	R	55.9	Low	64.8	Low	53 Å²	53	59.9 Å²	59.9	20%	0.2	27%	0.274	C	S	.	.	S	Bend	trans	-81.1	-30.3	178.6	-63	-64.2	-166.7	158.7	5.1	112.1	G177 R180	G177-R182 PolarHBondContact O-N 3.42Å; R180-R182 HydrophobicContact CB-CG 4.35Å; R180-R182 PolarHBondContact O-N 2.88Å
183	I	58.9	Low	64.9	Low	4 Å²	4	59 Å²	59	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-108.5	130.1	174.3	-55.7	174.8	0	0	0	107.8	F141 G177 Y178 D187 L191 T214	F141-I183 HydrophobicContact CZ-CD1 4.23Å; G177-I183 PolarHBondContact O-N 3.41Å; G177-I183 VanDerWaalsContact O-N 3.14Å; Y178-I183 WeakPolarHBondContact CD2-O 3.38Å; I183-D187 HydrophobicContact CG2-CB 3.88Å; I183-L191 HydrophobicContact CD1-CD2 4.4Å; I183-T214 HydrophobicContact CD1-CG2 3.67Å; I183-T214 HydrophobicContact CG1-CG2 4.16Å
184	K	63.5	Low	64.9	Low	94 Å²	94	60.7 Å²	60.7	41%	0.409	29%	0.288	S	S	.	.			trans	-68.4	153.9	175	-68.1	176.9	175.4	167.8	0	110.2	E186 D187 Y188 S220	K184-E186 WeakPolarHBondContact CB-OE2 3.05Å; K184-E186 PolarHBondContact O-N 2.86Å; K184-D187 PolarHBondContact O-N 3.29Å; K184-Y188 WeakPolarHBondContact O-CB 3.43Å; K184-Y188 PolarHBondContact O-N 3.43Å; K184-S220 PolarHBondContact NZ-OG 3.04Å
185	K	75.5	Confident	64.7	Low	120 Å²	120	61.7 Å²	61.7	52%	0.522	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-39.2	-177	-172	177.4	179.2	-178.8	0	111.7	Y178 L189	Y178-K185 VanDerWaalsContact CE2-CA 3.48Å; Y178-K185 HydrophobicContact CE2-CB 3.65Å; Y178-K185 HydrophobicContact CE2-CG 3.95Å; K185-L189 HydrophobicContact CG-CD1 4.27Å; K185-L189 WeakPolarHBondContact O-CB 2.96Å; K185-L189 VanDerWaalsContact O-CG 3.25Å; K185-L189 WeakPolarHBondContact O-CG 3.37Å; K185-L189 PolarHBondContact O-N 2.96Å
186	E	72.2	Confident	64.4	Low	113 Å²	113	65.1 Å²	65.1	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-45	-179	-57.6	71.9	-151.6	0	0	111	K184 L189 R190	K184-E186 WeakPolarHBondContact CB-OE2 3.05Å; K184-E186 PolarHBondContact O-N 2.86Å; E186-L189 PolarHBondContact O-N 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.24Å; E186-R190 PolarHBondContact O-N 2.92Å
187	D	63	Low	63.9	Low	24 Å²	24	74.1 Å²	74.1	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-71.1	-38.2	-179.8	-62	-33.6	0	0	0	111.5	I183 K184 L189 R190 L191 S217	I183-D187 HydrophobicContact CG2-CB 3.88Å; K184-D187 PolarHBondContact O-N 3.29Å; D187-L189 PolarHBondContact O-N 3.45Å; D187-R190 PolarHBondContact O-N 3.21Å; D187-R190 IonicContact OD1-NH1 3.5Å; D187-R190 PolarHBondContact OD1-NH1 3.45Å; D187-L191 VanDerWaalsContact O-CB 3.26Å; D187-L191 WeakPolarHBondContact O-CB 2.84Å; D187-L191 PolarHBondContact O-N 3.02Å; D187-S217 WeakPolarHBondContact CB-OG 3.13Å; D187-S217 WeakPolarHBondContact OD2-CB 3.45Å; D187-S217 PolarHBondContact OD2-OG 2.69Å
188	Y	69	Low	63.2	Low	30 Å²	30	76.9 Å²	76.9	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-58.5	-45.6	171.5	166.6	-108.5	0	0	0	112.1	A174 D175 Y178 K184 L191 K192	A174-Y188 HydrophobicContact CB-CD2 4.17Å; A174-Y188 HydrophobicContact CB-CE2 4.27Å; D175-Y188 WeakPolarHBondContact OD1-CE2 3.31Å; D175-Y188 PolarHBondContact OD1-OH 3.37Å; Y178-Y188 AromaticContact CD1-CD1 3.89Å; Y178-Y188 HydrophobicContact CD1-CD1 3.89Å; Y178-Y188 AromaticContact CD1-CE1 3.9Å; Y178-Y188 HydrophobicContact CD1-CE1 3.9Å; Y178-Y188 HydrophobicContact CD1-CG 4.17Å; Y178-Y188 HydrophobicContact CD2-CD1 4.2Å; Y178-Y188 HydrophobicContact CD2-CG 4.08Å; Y178-Y188 HydrophobicContact CE1-CD1 4.28Å; Y178-Y188 HydrophobicContact CE1-CE1 4.28Å; Y178-Y188 AromaticContact CG-CD1 3.85Å; Y178-Y188 HydrophobicContact CG-CD1 3.85Å; Y178-Y188 HydrophobicContact CG-CD2 4.09Å; Y178-Y188 HydrophobicContact CG-CE1 4.28Å; Y178-Y188 HydrophobicContact CG-CE2 4.5Å; Y178-Y188 AromaticContact CG-CG 3.7Å; Y178-Y188 HydrophobicContact CG-CG 3.7Å; K184-Y188 WeakPolarHBondContact O-CB 3.43Å; K184-Y188 PolarHBondContact O-N 3.43Å; Y188-L191 PolarHBondContact O-N 2.93Å; Y188-K192 HydrophobicContact CE1-CD 4.16Å; Y188-K192 HydrophobicContact CE2-CD 3.91Å; Y188-K192 HydrophobicContact CE2-CG 3.99Å; Y188-K192 PolarHBondContact O-N 3.13Å; Y188-K192 WeakPolarHBondContact OH-CD 3.45Å; Y188-K192 WeakPolarHBondContact OH-CE 3.29Å; Y188-K192 PolarHBondContact OH-NZ 3.46Å
189	L	69.5	Low	62	Low	96 Å²	96	79.3 Å²	79.3	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-38	177.2	-71.6	173.2	0	0	0	111.9	K185 E186 D187 A193	K185-L189 HydrophobicContact CG-CD1 4.27Å; K185-L189 WeakPolarHBondContact O-CB 2.96Å; K185-L189 VanDerWaalsContact O-CG 3.25Å; K185-L189 WeakPolarHBondContact O-CG 3.37Å; K185-L189 PolarHBondContact O-N 2.96Å; E186-L189 PolarHBondContact O-N 3.3Å; D187-L189 PolarHBondContact O-N 3.45Å; L189-A193 VanDerWaalsContact O-CB 3.27Å; L189-A193 WeakPolarHBondContact O-CB 3.38Å; L189-A193 PolarHBondContact O-N 2.99Å
190	R	63.8	Low	60.6	Low	164 Å²	164	78.8 Å²	78.8	62%	0.619	41%	0.405	S	S	*	.	H	α-helix	trans	-62.7	-45.7	173.5	-75.5	172.7	178.6	169.5	-4.6	111.6	E186 D187 A193 A194	E186-R190 WeakPolarHBondContact O-CG 3.24Å; E186-R190 PolarHBondContact O-N 2.92Å; D187-R190 PolarHBondContact O-N 3.21Å; D187-R190 IonicContact OD1-NH1 3.5Å; D187-R190 PolarHBondContact OD1-NH1 3.45Å; R190-A193 PolarHBondContact O-N 2.76Å; R190-A194 WeakPolarHBondContact O-CB 3.42Å; R190-A194 PolarHBondContact O-N 3.48Å
191	L	64.4	Low	59.6	Low	7 Å²	7	80.4 Å²	80.4	4%	0.037	42%	0.415	C	S	.	.	H	α-helix	trans	-63.6	-46.4	178.6	-174.2	65.3	0	0	0	111	A174 I183 D187 Y188 A193 A194 L195 F210 L213 T214	A174-L191 HydrophobicContact CB-CD2 3.38Å; A174-L191 HydrophobicContact CB-CG 4.09Å; I183-L191 HydrophobicContact CD1-CD2 4.4Å; D187-L191 VanDerWaalsContact O-CB 3.26Å; D187-L191 WeakPolarHBondContact O-CB 2.84Å; D187-L191 PolarHBondContact O-N 3.02Å; Y188-L191 PolarHBondContact O-N 2.93Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 2.97Å; L191-A194 PolarHBondContact O-N 3.29Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 4.17Å; L191-L195 WeakPolarHBondContact O-CB 3.33Å; L191-L195 VanDerWaalsContact O-CG 3.25Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 2.87Å; L191-F210 HydrophobicContact CD1-CD2 4.02Å; L191-F210 HydrophobicContact CD1-CE2 4.14Å; L191-F210 HydrophobicContact CD2-CD2 4.23Å; L191-F210 HydrophobicContact CD2-CE2 3.53Å; L191-F210 HydrophobicContact CD2-CZ 3.93Å; L191-F210 HydrophobicContact CG-CE2 4.19Å; L191-L213 HydrophobicContact CD1-CB 4.1Å; L191-L213 HydrophobicContact CD1-CD1 3.74Å; L191-T214 HydrophobicContact CD2-CG2 4.12Å
192	K	67.3	Low	58.6	Low	59 Å²	59	81 Å²	81	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-59.5	-43.2	172.1	-86.3	-159	163.3	178	0	112.1	D175 Y188 A194 L195 T196	D175-K192 WeakPolarHBondContact OD1-CE 3.49Å; D175-K192 IonicContact OD1-NZ 2.84Å; D175-K192 PolarHBondContact OD1-NZ 3.48Å; D175-K192 IonicContact OD2-NZ 3.51Å; Y188-K192 HydrophobicContact CE1-CD 4.16Å; Y188-K192 HydrophobicContact CE2-CD 3.91Å; Y188-K192 HydrophobicContact CE2-CG 3.99Å; Y188-K192 PolarHBondContact O-N 3.13Å; Y188-K192 WeakPolarHBondContact OH-CD 3.45Å; Y188-K192 WeakPolarHBondContact OH-CE 3.29Å; Y188-K192 PolarHBondContact OH-NZ 3.46Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 2.96Å; K192-L195 PolarHBondContact O-N 3.07Å; K192-T196 VanDerWaalsContact O-CB 3.31Å; K192-T196 WeakPolarHBondContact O-CB 3.23Å; K192-T196 VanDerWaalsContact O-CG2 3.32Å; K192-T196 WeakPolarHBondContact O-CG2 3.29Å; K192-T196 PolarHBondContact O-N 3.37Å; K192-T196 PolarHBondContact O-OG1 3.46Å
193	A	64.3	Low	58.3	Low	29 Å²	29	82.5 Å²	82.5	24%	0.24	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-40.8	177	0	0	0	0	0	111.4	L189 R190 L191 T196 R197	L189-A193 VanDerWaalsContact O-CB 3.27Å; L189-A193 WeakPolarHBondContact O-CB 3.38Å; L189-A193 PolarHBondContact O-N 2.99Å; R190-A193 PolarHBondContact O-N 2.76Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 2.97Å; A193-T196 PolarHBondContact O-N 2.93Å; A193-R197 WeakPolarHBondContact O-CB 3.38Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 2.95Å
194	A	61.9	Low	57.8	Low	47 Å²	47	83.3 Å²	83.3	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-41.7	176.2	0	0	0	0	0	111.9	R190 L191 K192	R190-A194 WeakPolarHBondContact O-CB 3.42Å; R190-A194 PolarHBondContact O-N 3.48Å; L191-A194 PolarHBondContact O-N 3.29Å; K192-A194 VanDerWaalsContact C-N 3.33Å; K192-A194 PolarHBondContact O-N 2.96Å
195	L	61.3	Low	57.3	Low	22 Å²	22	79.5 Å²	79.5	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-74.9	-21.1	178.9	-64.7	171.7	0	0	0	114	A170 L191 K192	A170-L195 HydrophobicContact CB-CD1 3.74Å; A170-L195 HydrophobicContact CB-CD2 3.73Å; A170-L195 HydrophobicContact CB-CG 4.41Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 4.17Å; L191-L195 WeakPolarHBondContact O-CB 3.33Å; L191-L195 VanDerWaalsContact O-CG 3.25Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 2.87Å; K192-L195 PolarHBondContact O-N 3.07Å
196	T	60.3	Low	56.3	Low	102 Å²	102	74.5 Å²	74.5	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-110.9	-19.4	-176.7	57.8	0	0	0	0	115	K192 A193 G198	K192-T196 VanDerWaalsContact O-CB 3.31Å; K192-T196 WeakPolarHBondContact O-CB 3.23Å; K192-T196 VanDerWaalsContact O-CG2 3.32Å; K192-T196 WeakPolarHBondContact O-CG2 3.29Å; K192-T196 PolarHBondContact O-N 3.37Å; K192-T196 PolarHBondContact O-OG1 3.46Å; A193-T196 PolarHBondContact O-N 2.93Å; T196-G198 PolarHBondContact O-N 3.48Å; T196-G198 VanDerWaalsContact O-N 3.15Å
197	R	52.5	Low	55.5	Low	213 Å²	213	69.3 Å²	69.3	80%	0.804	37%	0.368	S	S	*	.	S	Bend	trans	-76.7	103.2	177.2	-79.7	-177.3	-179.6	-166.9	1.7	110.1	A193	A193-R197 WeakPolarHBondContact O-CB 3.38Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 2.95Å
198	G	46.3	Very low	55.2	Low	59 Å²	59	72.3 Å²	72.3	61%	0.608	38%	0.378	S	S	*	.			trans	132.5	109.9	150.6	0	0	0	0	0	113.1	T196 Q200	T196-G198 PolarHBondContact O-N 3.48Å; T196-G198 VanDerWaalsContact O-N 3.15Å; G198-Q200 PolarHBondContact O-N 2.87Å
199	S	39.1	Very low	54.8	Low	133 Å²	133	72.1 Å²	72.1	93%	0.93	38%	0.378	S	S	*	.	S	Bend	trans	-66.3	24.7	172.6	52.8	0	0	0	0	114.4
200	Q	39.9	Very low	54.5	Low	158 Å²	158	67.6 Å²	67.6	74%	0.738	35%	0.354	S	S	*	.	S	Bend	trans	-137.3	97.5	176.8	-78.6	177.4	-18.3	0	0	108.8	G198 C202	G198-Q200 PolarHBondContact O-N 2.87Å; Q200-C202 VanDerWaalsContact C-N 3.34Å; Q200-C202 PolarHBondContact O-N 3.32Å
201	K	42.6	Very low	54.3	Low	126 Å²	126	59.8 Å²	59.8	55%	0.548	33%	0.325	S	S	.	.	S	Bend	trans	61.1	8.2	144.1	-64.5	-177.4	175.7	-174.7	0	120.7	T52 Q203	T52-K201 VanDerWaalsContact CB-O 3.22Å; T52-K201 WeakPolarHBondContact CB-O 3.36Å; T52-K201 HydrophobicContact CG2-CB 4.2Å; T52-K201 HydrophobicContact CG2-CD 4.06Å; T52-K201 HydrophobicContact CG2-CG 4.17Å; T52-K201 WeakPolarHBondContact OG1-CA 3.44Å; T52-K201 WeakPolarHBondContact OG1-CB 3.41Å; T52-K201 PolarHBondContact OG1-O 3.28Å; K201-Q203 PolarHBondContact O-N 2.96Å
202	C	38.8	Very low	54.2	Low	48 Å²	48	62.3 Å²	62.3	32%	0.324	34%	0.338	S	S	.	.			trans	-91.5	77.9	163.9	-78.4	0	0	0	0	110.5	Y57 N167 Q200	Y57-C202 VanDerWaalsContact CB-SG 3.57Å; Y57-C202 HydrophobicContact CD2-CB 4.24Å; N167-C202 PolarHBondContact ND2-O 2.97Å; Q200-C202 VanDerWaalsContact C-N 3.34Å; Q200-C202 PolarHBondContact O-N 3.32Å
203	Q	50.3	Low	54	Low	85 Å²	85	63.3 Å²	63.3	40%	0.397	35%	0.346	S	S	.	.			trans	-94.5	-4.3	-171.1	-61	-147.5	23.2	0	0	115	D50 K201	D50-Q203 HydrophobicContact CB-CG 4.47Å; D50-Q203 WeakPolarHBondContact O-CB 3.37Å; D50-Q203 WeakPolarHBondContact O-CG 3.21Å; K201-Q203 PolarHBondContact O-N 2.96Å
204	S	48	Very low	53.7	Low	21 Å²	21	62 Å²	62	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.1	177.7	55.9	0	0	0	0	111.2
205	C	52.6	Low	53.5	Low	13 Å²	13	66.1 Å²	66.1	9%	0.088	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152	167.4	67.7	0	0	0	0	109.5	L165	L165-C205 PolarHBondContact N-O 3.42Å; L165-C205 PolarHBondContact O-N 2.88Å
206	T	55	Low	53.1	Low	16 Å²	16	71.6 Å²	71.6	10%	0.098	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.1	172.5	60.9	0	0	0	0	110	I54 R208 E209 F210	I54-T206 HydrophobicContact CD1-CG2 4.37Å; T206-R208 PolarHBondContact O-N 3.08Å; T206-E209 PolarHBondContact N-OE2 2.79Å; T206-E209 PolarHBondContact O-N 2.69Å; T206-E209 VanDerWaalsContact O-N 3.14Å; T206-E209 WeakPolarHBondContact OG1-CB 3.39Å; T206-E209 WeakPolarHBondContact OG1-CG 3.49Å; T206-E209 PolarHBondContact OG1-N 2.83Å; T206-E209 VanDerWaalsContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 2.88Å; T206-E209 VanDerWaalsContact OG1-OE2 3.1Å; T206-F210 PolarHBondContact O-N 3.29Å; T206-F210 VanDerWaalsContact O-N 3.13Å
207	L	55.8	Low	52.4	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-30.4	172.8	174.7	58.8	0	0	0	110.9	F137 F159 V163 L165 L173 F210 M211	F137-L207 HydrophobicContact CE1-CD1 3.97Å; F159-L207 HydrophobicContact CB-CB 4.21Å; F159-L207 HydrophobicContact CB-CD2 4.22Å; F159-L207 HydrophobicContact CB-CG 4.29Å; F159-L207 HydrophobicContact CD1-CD2 3.95Å; F159-L207 HydrophobicContact CD2-CD2 3.3Å; F159-L207 HydrophobicContact CD2-CG 3.75Å; F159-L207 HydrophobicContact CE1-CD2 4.05Å; F159-L207 HydrophobicContact CE2-CD2 3.43Å; F159-L207 VanDerWaalsContact CE2-CD2 3.43Å; F159-L207 HydrophobicContact CE2-CG 4.23Å; F159-L207 HydrophobicContact CG-CB 4.46Å; F159-L207 HydrophobicContact CG-CD2 3.57Å; F159-L207 HydrophobicContact CG-CG 4.09Å; F159-L207 HydrophobicContact CZ-CD2 3.8Å; V163-L207 HydrophobicContact CB-CB 4.3Å; V163-L207 HydrophobicContact CB-CD2 4.41Å; V163-L207 HydrophobicContact CG1-CB 3.86Å; V163-L207 HydrophobicContact CG1-CD2 3.79Å; V163-L207 PolarHBondContact O-N 3.31Å; L165-L207 HydrophobicContact CD1-CB 4.07Å; L165-L207 HydrophobicContact CD1-CD1 3.64Å; L165-L207 HydrophobicContact CD1-CG 4.44Å; L165-L207 HydrophobicContact CG-CB 4.11Å; L165-L207 HydrophobicContact CG-CD1 4.3Å; L173-L207 HydrophobicContact CD1-CD1 4.4Å; L207-F210 HydrophobicContact CD1-CD1 4.35Å; L207-F210 WeakPolarHBondContact O-CB 3.5Å; L207-F210 PolarHBondContact O-N 3.27Å; L207-M211 HydrophobicContact CD1-CG 4.11Å; L207-M211 HydrophobicContact CD1-SD 4.28Å; L207-M211 HydrophobicContact CG-CG 4.36Å; L207-M211 HydrophobicContact CG-SD 3.99Å; L207-M211 WeakPolarHBondContact O-CB 3.33Å; L207-M211 VanDerWaalsContact O-CG 3.23Å; L207-M211 WeakPolarHBondContact O-CG 3.04Å; L207-M211 PolarHBondContact O-N 2.98Å
208	R	57.1	Low	52.1	Low	86 Å²	86	57.7 Å²	57.7	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-49.6	172.3	-175	-175.2	178.2	-104.3	2.7	112.7	L156 D160 T206 F210 M211 L212	L156-R208 HydrophobicContact CB-CG 4.48Å; L156-R208 HydrophobicContact CD2-CB 4.39Å; L156-R208 HydrophobicContact CD2-CG 3.81Å; D160-R208 HydrophobicContact CB-CB 4.45Å; D160-R208 WeakPolarHBondContact OD1-CD 3.22Å; D160-R208 IonicContact OD1-NE 3.82Å; D160-R208 IonicContact OD1-NH1 3.69Å; D160-R208 IonicContact OD2-NE 3.42Å; T206-R208 PolarHBondContact O-N 3.08Å; R208-F210 VanDerWaalsContact C-N 3.3Å; R208-F210 PolarHBondContact O-N 2.7Å; R208-M211 CarbonylContact O-C 3.55Å; R208-M211 PolarHBondContact O-N 3.25Å; R208-M211 VanDerWaalsContact O-N 3.13Å; R208-L212 HydrophobicContact CG-CD1 4.16Å; R208-L212 HydrophobicContact CG-CG 4.37Å; R208-L212 WeakPolarHBondContact O-CG 3.45Å; R208-L212 PolarHBondContact O-N 2.77Å
209	E	60.1	Low	51.9	Low	27 Å²	27	58.9 Å²	58.9	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-43.9	177.7	-76.9	166.4	147.2	0	0	111.2	T206 M211 L212 L213	T206-E209 PolarHBondContact N-OE2 2.79Å; T206-E209 PolarHBondContact O-N 2.69Å; T206-E209 VanDerWaalsContact O-N 3.14Å; T206-E209 WeakPolarHBondContact OG1-CB 3.39Å; T206-E209 WeakPolarHBondContact OG1-CG 3.49Å; T206-E209 PolarHBondContact OG1-N 2.83Å; T206-E209 VanDerWaalsContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 2.88Å; T206-E209 VanDerWaalsContact OG1-OE2 3.1Å; E209-M211 VanDerWaalsContact C-N 3.32Å; E209-M211 PolarHBondContact O-N 3.42Å; E209-L212 PolarHBondContact O-N 3.26Å; E209-L213 WeakPolarHBondContact O-CB 3.23Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.48Å; E209-L213 PolarHBondContact O-N 3.39Å
210	F	62.5	Low	51.9	Low	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-45.9	173.5	-178.6	-85.5	0	0	0	111.8	L165 A170 L173 A174 L191 T206 L207 R208 L213 T214	L165-F210 HydrophobicContact CD1-CB 3.89Å; L165-F210 HydrophobicContact CD1-CD2 4.33Å; L165-F210 HydrophobicContact CD1-CG 4Å; A170-F210 HydrophobicContact CB-CD2 4.05Å; A170-F210 HydrophobicContact CB-CE2 4.35Å; A170-F210 WeakPolarHBondContact O-CE2 2.98Å; L173-F210 HydrophobicContact CB-CE1 3.88Å; L173-F210 HydrophobicContact CB-CE2 4Å; L173-F210 HydrophobicContact CB-CZ 3.44Å; L173-F210 VanDerWaalsContact CB-CZ 3.44Å; L173-F210 HydrophobicContact CD1-CE1 4.41Å; A174-F210 HydrophobicContact CB-CE2 4.16Å; A174-F210 HydrophobicContact CB-CZ 4.37Å; L191-F210 HydrophobicContact CD1-CD2 4.02Å; L191-F210 HydrophobicContact CD1-CE2 4.14Å; L191-F210 HydrophobicContact CD2-CD2 4.23Å; L191-F210 HydrophobicContact CD2-CE2 3.53Å; L191-F210 HydrophobicContact CD2-CZ 3.93Å; L191-F210 HydrophobicContact CG-CE2 4.19Å; T206-F210 PolarHBondContact O-N 3.29Å; T206-F210 VanDerWaalsContact O-N 3.13Å; L207-F210 HydrophobicContact CD1-CD1 4.35Å; L207-F210 WeakPolarHBondContact O-CB 3.5Å; L207-F210 PolarHBondContact O-N 3.27Å; R208-F210 VanDerWaalsContact C-N 3.3Å; R208-F210 PolarHBondContact O-N 2.7Å; F210-L213 PolarHBondContact O-N 3.28Å; F210-T214 HydrophobicContact CD1-CG2 4.29Å; F210-T214 HydrophobicContact CE1-CG2 3.83Å; F210-T214 HydrophobicContact CZ-CG2 4.06Å; F210-T214 WeakPolarHBondContact O-CG2 3.34Å; F210-T214 PolarHBondContact O-N 2.9Å; F210-T214 PolarHBondContact O-OG1 3.07Å
211	M	60.5	Low	51.9	Low	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-36.4	177.6	-74.5	173.4	70.3	0	0	112.4	F137 F152 L155 L156 F159 L207 R208 E209 T214 R215	F137-M211 HydrophobicContact CD2-CE 3.94Å; F137-M211 HydrophobicContact CD2-SD 4.24Å; F137-M211 HydrophobicContact CE1-CG 4.47Å; F137-M211 HydrophobicContact CE2-CE 3.56Å; F137-M211 HydrophobicContact CE2-CG 3.97Å; F137-M211 HydrophobicContact CE2-SD 3.8Å; F137-M211 HydrophobicContact CZ-CE 4.28Å; F137-M211 HydrophobicContact CZ-CG 3.69Å; F137-M211 HydrophobicContact CZ-SD 3.95Å; F152-M211 HydrophobicContact CD2-CE 3.42Å; F152-M211 VanDerWaalsContact CD2-CE 3.42Å; F152-M211 HydrophobicContact CE1-CE 4.31Å; F152-M211 HydrophobicContact CE2-CB 4.36Å; F152-M211 HydrophobicContact CE2-CE 3.14Å; F152-M211 HydrophobicContact CE2-CG 4.45Å; F152-M211 HydrophobicContact CG-CE 4.14Å; F152-M211 HydrophobicContact CZ-CB 4.01Å; F152-M211 HydrophobicContact CZ-CE 3.65Å; L155-M211 HydrophobicContact CB-CE 4.35Å; L156-M211 HydrophobicContact CD2-CB 3.44Å; L156-M211 VanDerWaalsContact CD2-CB 3.44Å; L156-M211 HydrophobicContact CD2-CE 3.58Å; L156-M211 HydrophobicContact CD2-CG 4.21Å; L156-M211 HydrophobicContact CD2-SD 3.77Å; L156-M211 HydrophobicContact CG-CE 3.82Å; F159-M211 HydrophobicContact CD2-SD 3.64Å; F159-M211 HydrophobicContact CE2-SD 4.04Å; L207-M211 HydrophobicContact CD1-CG 4.11Å; L207-M211 HydrophobicContact CD1-SD 4.28Å; L207-M211 HydrophobicContact CG-CG 4.36Å; L207-M211 HydrophobicContact CG-SD 3.99Å; L207-M211 WeakPolarHBondContact O-CB 3.33Å; L207-M211 VanDerWaalsContact O-CG 3.23Å; L207-M211 WeakPolarHBondContact O-CG 3.04Å; L207-M211 PolarHBondContact O-N 2.98Å; R208-M211 CarbonylContact O-C 3.55Å; R208-M211 PolarHBondContact O-N 3.25Å; R208-M211 VanDerWaalsContact O-N 3.13Å; E209-M211 VanDerWaalsContact C-N 3.32Å; E209-M211 PolarHBondContact O-N 3.42Å; M211-T214 VanDerWaalsContact CA-OG1 3.31Å; M211-T214 WeakPolarHBondContact CA-OG1 3.49Å; M211-T214 PolarHBondContact O-N 3.21Å; M211-T214 PolarHBondContact O-OG1 2.81Å; M211-T214 VanDerWaalsContact O-OG1 3.07Å; M211-R215 VanDerWaalsContact O-CB 3.32Å; M211-R215 WeakPolarHBondContact O-CB 3.25Å; M211-R215 PolarHBondContact O-N 3.12Å
212	L	62.1	Low	51.5	Low	60 Å²	60	52.9 Å²	52.9	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-68	-41.3	175.7	-73.2	174.7	0	0	0	111.7	R208 E209 T214 R215	R208-L212 HydrophobicContact CG-CD1 4.16Å; R208-L212 HydrophobicContact CG-CG 4.37Å; R208-L212 WeakPolarHBondContact O-CG 3.45Å; R208-L212 PolarHBondContact O-N 2.77Å; E209-L212 PolarHBondContact O-N 3.26Å; L212-T214 VanDerWaalsContact C-N 3.3Å; L212-T214 PolarHBondContact O-N 3.2Å; L212-R215 WeakPolarHBondContact O-CB 3.41Å; L212-R215 PolarHBondContact O-N 2.87Å
213	L	62.1	Low	51.3	Low	80 Å²	80	53 Å²	53	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-38.6	174.9	-71.3	170.1	0	0	0	111.4	L191 E209 F210	L191-L213 HydrophobicContact CD1-CB 4.1Å; L191-L213 HydrophobicContact CD1-CD1 3.74Å; E209-L213 WeakPolarHBondContact O-CB 3.23Å; E209-L213 VanDerWaalsContact O-CG 3.28Å; E209-L213 WeakPolarHBondContact O-CG 3.48Å; E209-L213 PolarHBondContact O-N 3.39Å; F210-L213 PolarHBondContact O-N 3.28Å
214	T	59.1	Low	50.4	Low	2 Å²	2	55.4 Å²	55.4	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-81.1	-21.5	177	53.7	0	0	0	0	113.5	I183 L191 F210 M211 L212 Q216 S217 I218	I183-T214 HydrophobicContact CD1-CG2 3.67Å; I183-T214 HydrophobicContact CG1-CG2 4.16Å; L191-T214 HydrophobicContact CD2-CG2 4.12Å; F210-T214 HydrophobicContact CD1-CG2 4.29Å; F210-T214 HydrophobicContact CE1-CG2 3.83Å; F210-T214 HydrophobicContact CZ-CG2 4.06Å; F210-T214 WeakPolarHBondContact O-CG2 3.34Å; F210-T214 PolarHBondContact O-N 2.9Å; F210-T214 PolarHBondContact O-OG1 3.07Å; M211-T214 VanDerWaalsContact CA-OG1 3.31Å; M211-T214 WeakPolarHBondContact CA-OG1 3.49Å; M211-T214 PolarHBondContact O-N 3.21Å; M211-T214 PolarHBondContact O-OG1 2.81Å; M211-T214 VanDerWaalsContact O-OG1 3.07Å; L212-T214 VanDerWaalsContact C-N 3.3Å; L212-T214 PolarHBondContact O-N 3.2Å; T214-Q216 PolarHBondContact O-N 3.36Å; T214-S217 WeakPolarHBondContact O-CA 3.49Å; T214-S217 WeakPolarHBondContact O-CB 3.35Å; T214-S217 PolarHBondContact O-N 2.84Å; T214-I218 WeakPolarHBondContact O-CG1 3.31Å; T214-I218 PolarHBondContact O-N 2.93Å
215	R	57.4	Low	49.9	Very low	132 Å²	132	57.5 Å²	57.5	50%	0.498	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-36.7	178	-172.3	-179.2	176.7	-171.9	-1.2	112	F152 M211 L212 S217 I218 S219	F152-R215 HydrophobicContact CE1-CG 4.37Å; F152-R215 HydrophobicContact CZ-CB 4.48Å; M211-R215 VanDerWaalsContact O-CB 3.32Å; M211-R215 WeakPolarHBondContact O-CB 3.25Å; M211-R215 PolarHBondContact O-N 3.12Å; L212-R215 WeakPolarHBondContact O-CB 3.41Å; L212-R215 PolarHBondContact O-N 2.87Å; R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 2.87Å; R215-I218 PolarHBondContact O-N 3.1Å; R215-S219 WeakPolarHBondContact O-CB 3.16Å; R215-S219 PolarHBondContact O-N 3.11Å; R215-S219 PolarHBondContact O-OG 3.1Å; R215-S219 VanDerWaalsContact O-OG 3.08Å
216	Q	53.2	Low	49.8	Very low	138 Å²	138	59.8 Å²	59.8	65%	0.645	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-30.9	176.3	-68.5	-174.3	-2	0	0	112.6	T214 S219	T214-Q216 PolarHBondContact O-N 3.36Å; Q216-S219 PolarHBondContact O-OG 3.32Å
217	S	46.4	Very low	49.5	Very low	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-76.6	-41	172.6	-47.3	0	0	0	0	111.7	D187 T214 R215 S220	D187-S217 WeakPolarHBondContact CB-OG 3.13Å; D187-S217 WeakPolarHBondContact OD2-CB 3.45Å; D187-S217 PolarHBondContact OD2-OG 2.69Å; T214-S217 WeakPolarHBondContact O-CA 3.49Å; T214-S217 WeakPolarHBondContact O-CB 3.35Å; T214-S217 PolarHBondContact O-N 2.84Å; R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 2.87Å; S217-S220 VanDerWaalsContact O-CB 3.29Å; S217-S220 WeakPolarHBondContact O-CB 3.05Å; S217-S220 PolarHBondContact O-N 3.41Å; S217-S220 PolarHBondContact O-OG 3.15Å
218	I	44.6	Very low	49.2	Very low	22 Å²	22	65.3 Å²	65.3	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-68.2	-38.5	-176.1	-75.4	169.2	0	0	0	111.6	T214 R215 S220 Y221 F225	T214-I218 WeakPolarHBondContact O-CG1 3.31Å; T214-I218 PolarHBondContact O-N 2.93Å; R215-I218 PolarHBondContact O-N 3.1Å; I218-S220 PolarHBondContact O-N 3.1Å; I218-S220 VanDerWaalsContact O-N 3.08Å; I218-Y221 WeakPolarHBondContact O-CB 3.28Å; I218-Y221 PolarHBondContact O-N 2.91Å; I218-F225 HydrophobicContact CB-CE1 4.34Å; I218-F225 HydrophobicContact CB-CE2 4.25Å; I218-F225 HydrophobicContact CB-CZ 3.65Å; I218-F225 HydrophobicContact CG1-CE1 4.02Å; I218-F225 HydrophobicContact CG1-CZ 3.82Å; I218-F225 HydrophobicContact CG2-CD2 4.16Å; I218-F225 HydrophobicContact CG2-CE1 3.79Å; I218-F225 HydrophobicContact CG2-CE2 3.24Å; I218-F225 HydrophobicContact CG2-CZ 3.04Å
219	S	43	Very low	48.7	Very low	84 Å²	84	64.1 Å²	64.1	59%	0.587	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.3	178.1	52.8	0	0	0	0	113.7	R215 Q216 Y221	R215-S219 WeakPolarHBondContact O-CB 3.16Å; R215-S219 PolarHBondContact O-N 3.11Å; R215-S219 PolarHBondContact O-OG 3.1Å; R215-S219 VanDerWaalsContact O-OG 3.08Å; Q216-S219 PolarHBondContact O-OG 3.32Å; S219-Y221 PolarHBondContact O-N 3.38Å
220	S	39.3	Very low	48	Very low	58 Å²	58	66.4 Å²	66.4	41%	0.406	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-20	170.2	-52.3	0	0	0	0	112.9	K184 S217 I218 S222	K184-S220 PolarHBondContact NZ-OG 3.04Å; S217-S220 VanDerWaalsContact O-CB 3.29Å; S217-S220 WeakPolarHBondContact O-CB 3.05Å; S217-S220 PolarHBondContact O-N 3.41Å; S217-S220 PolarHBondContact O-OG 3.15Å; I218-S220 PolarHBondContact O-N 3.1Å; I218-S220 VanDerWaalsContact O-N 3.08Å; S220-S222 PolarHBondContact O-N 3.02Å
221	Y	39.1	Very low	47	Very low	114 Å²	114	70.7 Å²	70.7	45%	0.447	39%	0.394	S	S	.	.			trans	-95.5	68.3	176.4	-73.1	-82.9	0	0	0	109.3	G181 I218 S219 G223	G181-Y221 PolarHBondContact O-OH 3.43Å; I218-Y221 WeakPolarHBondContact O-CB 3.28Å; I218-Y221 PolarHBondContact O-N 2.91Å; S219-Y221 PolarHBondContact O-N 3.38Å; Y221-G223 PolarHBondContact O-N 3.09Å
222	S	35.3	Very low	46.1	Very low	119 Å²	119	75.8 Å²	75.8	83%	0.832	42%	0.423	S	S	*	.			trans	-68.6	85.3	167.3	57.7	0	0	0	0	109.1	S220	S220-S222 PolarHBondContact O-N 3.02Å
223	G	33.7	Very low	44.8	Very low	51 Å²	51	77 Å²	77	53%	0.526	43%	0.431	S	S	.	.	S	Bend	trans	154.7	94.4	176.4	0	0	0	0	0	110	Y221	Y221-G223 PolarHBondContact O-N 3.09Å
224	T	32	Very low	43.4	Very low	135 Å²	135	76.8 Å²	76.8	83%	0.828	43%	0.432	S	S	*	.			trans	51.7	101.6	168.2	49	0	0	0	0	115.1
225	F	37.5	Very low	42	Very low	66 Å²	66	83.5 Å²	83.5	29%	0.289	47%	0.47	S	S	.	.			trans	-71.5	0	154.1	-86.1	-86.9	0	0	0	108.8	S146 L147 I218	S146-F225 CarbonylContact C-O 3.49Å; S146-F225 WeakPolarHBondContact CA-O 3.19Å; S146-F225 WeakPolarHBondContact CB-O 3.31Å; L147-F225 HydrophobicContact CB-CB 4.18Å; L147-F225 PolarHBondContact N-O 3.37Å; L147-F225 VanDerWaalsContact N-O 3.17Å; I218-F225 HydrophobicContact CB-CE1 4.34Å; I218-F225 HydrophobicContact CB-CE2 4.25Å; I218-F225 HydrophobicContact CB-CZ 3.65Å; I218-F225 HydrophobicContact CG1-CE1 4.02Å; I218-F225 HydrophobicContact CG1-CZ 3.82Å; I218-F225 HydrophobicContact CG2-CD2 4.16Å; I218-F225 HydrophobicContact CG2-CE1 3.79Å; I218-F225 HydrophobicContact CG2-CE2 3.24Å; I218-F225 HydrophobicContact CG2-CZ 3.04Å

Retrieved 225 of 225 residues in 269 ms (Link to these results)

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