A0A3Q0KJ11_SCHMA Loading...

Transmembrane protein

AlphaFold DB (A0A3Q0KJ58), UniProt , Accession A0A3Q0KJ11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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	29	Very low	29.2	Very low	236 Å²	236	151.3 Å²	151.3	100%	1.163	75%	0.747	S	S	*	*				0	108.5	0	-156.2	168	176.2	0	0	107.6	V3	M1-V3 PolarHBondContact O-N 3.29Å
2	Q	21.5	Very low	29.5	Very low	191 Å²	191	145.9 Å²	145.9	89%	0.893	73%	0.732	S	S	*	*			trans	-75.9	107.6	-177.5	-86.5	174.6	-29.7	0	0	109.5	T4	Q2-T4 PolarHBondContact O-N 3.4Å
3	V	25.8	Very low	29.9	Very low	136 Å²	136	148 Å²	148	82%	0.824	73%	0.725	S	S	*	*			trans	-89.9	98	171.6	-176.9	0	0	0	0	107.9	M1 K5	M1-V3 PolarHBondContact O-N 3.29Å; V3-K5 PolarHBondContact O-N 2.95Å
4	T	26.3	Very low	30.2	Very low	110 Å²	110	145.3 Å²	145.3	68%	0.675	70%	0.704	S	S	*	*			trans	-62.3	126.5	175	31.8	0	0	0	0	110.4	Q2 I6	Q2-T4 PolarHBondContact O-N 3.4Å; T4-I6 PolarHBondContact O-N 3.29Å
5	K	26.7	Very low	30.6	Very low	192 Å²	192	148.7 Å²	148.7	84%	0.835	71%	0.707	S	S	*	*			trans	-73.7	82.5	-176.7	-144.8	-179.7	-169.5	174.1	0	109.7	V3 V7	V3-K5 PolarHBondContact O-N 2.95Å; K5-V7 HydrophobicContact CD-CG2 4.34Å; K5-V7 HydrophobicContact CG-CG2 3.96Å; K5-V7 PolarHBondContact O-N 2.87Å
6	I	29.5	Very low	31	Very low	153 Å²	153	147.6 Å²	147.6	79%	0.785	70%	0.701	S	S	*	*			trans	-77.6	77.3	169.8	-54.1	175.6	0	0	0	107.7	T4 S8	T4-I6 PolarHBondContact O-N 3.29Å; I6-S8 PolarHBondContact O-N 3.21Å
7	V	29.2	Very low	31.2	Very low	102 Å²	102	142.1 Å²	142.1	62%	0.618	69%	0.686	S	S	*	*			trans	-66.3	99.7	169.4	178.5	0	0	0	0	106.8	K5 K9	K5-V7 HydrophobicContact CD-CG2 4.34Å; K5-V7 HydrophobicContact CG-CG2 3.96Å; K5-V7 PolarHBondContact O-N 2.87Å; V7-K9 PolarHBondContact O-N 3.03Å
8	S	32	Very low	31.7	Very low	55 Å²	55	144.1 Å²	144.1	39%	0.385	69%	0.685	S	S	.	*			trans	-59.3	127	-172.3	71.5	0	0	0	0	111.5	I6 H10 R11	I6-S8 PolarHBondContact O-N 3.21Å; S8-H10 PolarHBondContact O-N 3.27Å; S8-R11 PolarHBondContact O-N 3.39Å
9	K	35.2	Very low	32.4	Very low	198 Å²	198	142.2 Å²	142.2	86%	0.861	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-0.9	178.9	-148.4	172.7	-178.4	178.6	0	114.4	V7	V7-K9 PolarHBondContact O-N 3.03Å
10	H	35.3	Very low	32.8	Very low	91 Å²	91	138.9 Å²	138.9	42%	0.421	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.8	-13.1	-175.8	-70.9	-76	0	0	0	114.8	S8 P12 R13 Y14	S8-H10 PolarHBondContact O-N 3.27Å; H10-P12 VanDerWaalsContact C-CD 3.4Å; H10-P12 VanDerWaalsContact C-N 3.34Å; H10-R13 PolarHBondContact O-N 3.16Å; H10-Y14 HydrophobicContact CB-CD2 4.09Å; H10-Y14 HydrophobicContact CB-CE2 3.37Å; H10-Y14 WeakPolarHBondContact O-CD2 3.34Å; H10-Y14 WeakPolarHBondContact O-CE2 3.44Å; H10-Y14 PolarHBondContact O-N 2.97Å
11	R	30.7	Very low	33.5	Very low	200 Å²	200	135.3 Å²	135.3	76%	0.755	65%	0.649	S	S	*	*	H	α-helix	trans	-47.4	-41.3	178.2	-134.2	-178.6	-164.9	-164.3	4.4	115.4	S8	S8-R11 PolarHBondContact O-N 3.39Å
12	P	32.5	Very low	34.3	Very low	87 Å²	87	127.8 Å²	127.8	57%	0.565	62%	0.618	S	S	*	*	H	α-helix	trans	-72.8	-32.4	178.2	24.7	-30.9	0	0	0	113.8	H10 Y14 R15 Q16	H10-P12 VanDerWaalsContact C-CD 3.4Å; H10-P12 VanDerWaalsContact C-N 3.34Å; P12-Y14 VanDerWaalsContact C-N 3.33Å; P12-Y14 PolarHBondContact O-N 2.88Å; P12-R15 PolarHBondContact O-N 3.35Å; P12-Q16 PolarHBondContact O-N 3.44Å
13	R	34.9	Very low	35.6	Very low	173 Å²	173	124.5 Å²	124.5	65%	0.653	61%	0.606	S	S	*	*	H	α-helix	trans	-67	-33.5	177.9	-71.7	-172.1	177.3	176.2	0	112.2	H10 Q16 A17	H10-R13 PolarHBondContact O-N 3.16Å; R13-Q16 PolarHBondContact O-N 3.3Å; R13-A17 PolarHBondContact O-N 3.4Å; R13-A17 VanDerWaalsContact O-N 3.07Å
14	Y	34.1	Very low	36.7	Very low	110 Å²	110	122 Å²	122	43%	0.431	59%	0.587	S	S	.	*	H	α-helix	trans	-69.7	-31.3	175	-64	-67.7	0	0	0	113.3	H10 P12 A17 R18 V56	H10-Y14 HydrophobicContact CB-CD2 4.09Å; H10-Y14 HydrophobicContact CB-CE2 3.37Å; H10-Y14 WeakPolarHBondContact O-CD2 3.34Å; H10-Y14 WeakPolarHBondContact O-CE2 3.44Å; H10-Y14 PolarHBondContact O-N 2.97Å; P12-Y14 VanDerWaalsContact C-N 3.33Å; P12-Y14 PolarHBondContact O-N 2.88Å; Y14-A17 PolarHBondContact O-N 3.3Å; Y14-R18 PolarHBondContact O-N 3.11Å; Y14-V56 HydrophobicContact CD1-CG1 4.2Å; Y14-V56 HydrophobicContact CE1-CG1 4.07Å
15	R	36.5	Very low	38.1	Very low	197 Å²	197	119.4 Å²	119.4	74%	0.743	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-36.8	175.9	-150.3	179.3	-164.6	-178.6	3.7	111.2	P12	P12-R15 PolarHBondContact O-N 3.35Å
16	Q	36.3	Very low	39.2	Very low	130 Å²	130	114.3 Å²	114.3	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-44.9	171.3	-80.8	175.6	-30.2	0	0	111.9	P12 R13 R18 I19 V20	P12-Q16 PolarHBondContact O-N 3.44Å; R13-Q16 PolarHBondContact O-N 3.3Å; Q16-R18 VanDerWaalsContact C-N 3.29Å; Q16-R18 PolarHBondContact O-N 3.45Å; Q16-I19 PolarHBondContact O-N 3.1Å; Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3Å; Q16-V20 PolarHBondContact O-N 3.25Å
17	A	35	Very low	40.4	Very low	54 Å²	54	111 Å²	111	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-60.3	-35.2	179.3	0	0	0	0	0	113.5	R13 Y14 I19 V20 F21	R13-A17 PolarHBondContact O-N 3.4Å; R13-A17 VanDerWaalsContact O-N 3.07Å; Y14-A17 PolarHBondContact O-N 3.3Å; A17-I19 PolarHBondContact O-N 3.44Å; A17-V20 PolarHBondContact O-N 2.67Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 2.88Å
18	R	40.2	Very low	41.6	Very low	178 Å²	178	109.1 Å²	109.1	67%	0.672	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-27.3	174.8	-77.4	-176.3	-178	-174.8	-0	114.1	Y14 Q16 P22	Y14-R18 PolarHBondContact O-N 3.11Å; Q16-R18 VanDerWaalsContact C-N 3.29Å; Q16-R18 PolarHBondContact O-N 3.45Å; R18-P22 WeakPolarHBondContact O-CD 3.3Å; R18-P22 WeakPolarHBondContact O-CG 3.36Å
19	I	44.5	Very low	42.6	Very low	109 Å²	109	110.9 Å²	110.9	56%	0.559	53%	0.529	S	S	*	.	H	α-helix	trans	-92.1	-39.2	179.9	-60.9	168.9	0	0	0	110.1	Q16 A17 P22 L23	Q16-I19 PolarHBondContact O-N 3.1Å; A17-I19 PolarHBondContact O-N 3.44Å; I19-P22 WeakPolarHBondContact O-CD 3.46Å; I19-L23 HydrophobicContact CG2-CD1 4.01Å; I19-L23 WeakPolarHBondContact O-CD1 3.41Å
20	V	41.2	Very low	43.5	Very low	76 Å²	76	103.4 Å²	103.4	46%	0.461	51%	0.508	S	S	.	.	H	α-helix	trans	-70.6	-36.3	-176	173.2	0	0	0	0	111.9	Q16 A17 L23 L24	Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3Å; Q16-V20 PolarHBondContact O-N 3.25Å; A17-V20 PolarHBondContact O-N 2.67Å; V20-L23 PolarHBondContact O-N 2.67Å; V20-L24 HydrophobicContact CG1-CD1 3.52Å; V20-L24 HydrophobicContact CG1-CG 4.09Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 WeakPolarHBondContact O-CG 3.04Å; V20-L24 PolarHBondContact O-N 3.12Å
21	F	46.3	Very low	44.3	Very low	63 Å²	63	103.4 Å²	103.4	28%	0.276	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-47.5	-176.4	-170.6	-95.5	0	0	0	113.9	A17 L23 L24 L25 A49	A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 2.88Å; F21-L23 PolarHBondContact O-N 2.93Å; F21-L24 PolarHBondContact O-N 2.64Å; F21-L25 HydrophobicContact CD1-CD1 4.23Å; F21-L25 HydrophobicContact CE1-CD1 3.7Å; F21-L25 HydrophobicContact CZ-CD1 4.09Å; F21-L25 PolarHBondContact O-N 2.92Å; F21-A49 HydrophobicContact CE2-CB 3.46Å; F21-A49 VanDerWaalsContact CE2-CB 3.46Å; F21-A49 HydrophobicContact CZ-CB 3.42Å; F21-A49 VanDerWaalsContact CZ-CB 3.42Å
22	P	46.6	Very low	45.3	Very low	78 Å²	78	94.1 Å²	94.1	51%	0.506	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-29.2	171.9	-21.4	32.3	0	0	0	113.4	R18 I19 P26	R18-P22 WeakPolarHBondContact O-CD 3.3Å; R18-P22 WeakPolarHBondContact O-CG 3.36Å; I19-P22 WeakPolarHBondContact O-CD 3.46Å; P22-P26 VanDerWaalsContact O-CD 3.26Å; P22-P26 WeakPolarHBondContact O-CD 3.28Å
23	L	48.6	Very low	46.3	Very low	122 Å²	122	94.6 Å²	94.6	64%	0.639	48%	0.482	S	S	*	.	H	α-helix	trans	-76.8	-28.8	178	-109.9	128.4	0	0	0	113.3	I19 V20 F21 P26	I19-L23 HydrophobicContact CG2-CD1 4.01Å; I19-L23 WeakPolarHBondContact O-CD1 3.41Å; V20-L23 PolarHBondContact O-N 2.67Å; F21-L23 PolarHBondContact O-N 2.93Å; L23-P26 WeakPolarHBondContact O-CD 3.25Å
24	L	49.8	Very low	47.3	Very low	84 Å²	84	93.1 Å²	93.1	44%	0.44	49%	0.486	S	S	.	.	H	α-helix	trans	-80.7	-23.5	175.2	-78.3	167	0	0	0	112.6	V20 F21 V27 L28	V20-L24 HydrophobicContact CG1-CD1 3.52Å; V20-L24 HydrophobicContact CG1-CG 4.09Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 WeakPolarHBondContact O-CG 3.04Å; V20-L24 PolarHBondContact O-N 3.12Å; F21-L24 PolarHBondContact O-N 2.64Å; L24-V27 PolarHBondContact O-N 3.26Å; L24-V27 VanDerWaalsContact O-N 3.16Å; L24-L28 HydrophobicContact CB-CD1 4.46Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 2.94Å
25	L	54.8	Low	48.5	Very low	55 Å²	55	93 Å²	93	29%	0.288	49%	0.489	S	S	.	.	H	α-helix	trans	-53.5	-50.6	-178.7	-135.1	88.2	0	0	0	112.4	F21 V27 L28 F29	F21-L25 HydrophobicContact CD1-CD1 4.23Å; F21-L25 HydrophobicContact CE1-CD1 3.7Å; F21-L25 HydrophobicContact CZ-CD1 4.09Å; F21-L25 PolarHBondContact O-N 2.92Å; L25-V27 VanDerWaalsContact C-N 3.29Å; L25-V27 PolarHBondContact O-N 3.42Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-F29 HydrophobicContact CD2-CD2 4.3Å; L25-F29 HydrophobicContact CD2-CE2 3.64Å; L25-F29 HydrophobicContact CG-CD2 4.14Å; L25-F29 HydrophobicContact CG-CE2 3.77Å; L25-F29 WeakPolarHBondContact O-CD2 3.2Å; L25-F29 PolarHBondContact O-N 3.02Å
26	P	51	Low	49.4	Very low	85 Å²	85	86.2 Å²	86.2	55%	0.552	47%	0.471	S	S	*	.	H	α-helix	trans	-63.8	-33.1	179.7	-21.2	33.5	0	0	0	113.2	P22 L23 F29 G30	P22-P26 VanDerWaalsContact O-CD 3.26Å; P22-P26 WeakPolarHBondContact O-CD 3.28Å; L23-P26 WeakPolarHBondContact O-CD 3.25Å; P26-F29 PolarHBondContact O-N 3.21Å; P26-G30 PolarHBondContact O-N 3.47Å
27	V	53.8	Low	50.3	Low	85 Å²	85	85.2 Å²	85.2	52%	0.515	47%	0.468	S	S	.	.	H	α-helix	trans	-70.3	-43.5	177.4	-178.6	0	0	0	0	110.2	L24 L25 F29 G30 I31	L24-V27 PolarHBondContact O-N 3.26Å; L24-V27 VanDerWaalsContact O-N 3.16Å; L25-V27 VanDerWaalsContact C-N 3.29Å; L25-V27 PolarHBondContact O-N 3.42Å; V27-F29 VanDerWaalsContact C-N 3.31Å; V27-F29 PolarHBondContact O-N 2.86Å; V27-G30 PolarHBondContact O-N 2.87Å; V27-I31 HydrophobicContact CG1-CD1 4.2Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.16Å
28	L	54.5	Low	51.2	Low	61 Å²	61	84 Å²	84	32%	0.319	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-39.6	173.2	-71.7	168.4	0	0	0	111.2	L24 L25 I31 A32 T42	L24-L28 HydrophobicContact CB-CD1 4.46Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 2.94Å; L25-L28 PolarHBondContact O-N 3.37Å; L28-I31 PolarHBondContact O-N 3.35Å; L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.1Å; L28-T42 HydrophobicContact CB-CG2 3.83Å
29	F	53	Low	51.9	Low	93 Å²	93	76.4 Å²	76.4	41%	0.408	43%	0.432	S	S	.	.	H	α-helix	trans	-66.2	-35.5	173.4	-83.1	-66.4	0	0	0	113.2	L25 P26 V27 A32 S33	L25-F29 HydrophobicContact CD2-CD2 4.3Å; L25-F29 HydrophobicContact CD2-CE2 3.64Å; L25-F29 HydrophobicContact CG-CD2 4.14Å; L25-F29 HydrophobicContact CG-CE2 3.77Å; L25-F29 WeakPolarHBondContact O-CD2 3.2Å; L25-F29 PolarHBondContact O-N 3.02Å; P26-F29 PolarHBondContact O-N 3.21Å; V27-F29 VanDerWaalsContact C-N 3.31Å; V27-F29 PolarHBondContact O-N 2.86Å; F29-A32 PolarHBondContact O-N 2.94Å; F29-S33 PolarHBondContact O-N 3.32Å
30	G	53.4	Low	52.4	Low	40 Å²	40	74.6 Å²	74.6	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-70	-29.5	174.9	0	0	0	0	0	113.7	P26 V27 S33 L34	P26-G30 PolarHBondContact O-N 3.47Å; V27-G30 PolarHBondContact O-N 2.87Å; G30-S33 PolarHBondContact O-OG 3.41Å; G30-L34 WeakPolarHBondContact O-CD1 3.41Å
31	I	52.3	Low	53	Low	92 Å²	92	75.8 Å²	75.8	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-79.5	-35.1	173.5	-63.3	163.4	0	0	0	110.4	V27 L28 S33 L34	V27-I31 HydrophobicContact CG1-CD1 4.2Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.16Å; L28-I31 PolarHBondContact O-N 3.35Å; I31-S33 PolarHBondContact O-N 2.76Å; I31-L34 PolarHBondContact O-N 2.68Å
32	A	51.4	Low	53.5	Low	4 Å²	4	73.6 Å²	73.6	3%	0.033	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-22.3	178.4	0	0	0	0	0	113.6	L28 F29 L34 T39 T42	L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 3.1Å; F29-A32 PolarHBondContact O-N 2.94Å; A32-L34 VanDerWaalsContact C-N 3.32Å; A32-T39 HydrophobicContact CB-CG2 3.88Å; A32-T39 WeakPolarHBondContact O-CB 3.35Å; A32-T39 WeakPolarHBondContact O-CG2 3.41Å; A32-T39 PolarHBondContact O-OG1 3.38Å; A32-T42 HydrophobicContact CB-CG2 4.33Å
33	S	53.4	Low	54.1	Low	97 Å²	97	72.1 Å²	72.1	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12	176.2	59.5	0	0	0	0	114.3	F29 G30 I31	F29-S33 PolarHBondContact O-N 3.32Å; G30-S33 PolarHBondContact O-OG 3.41Å; I31-S33 PolarHBondContact O-N 2.76Å
34	L	57.5	Low	54.5	Low	143 Å²	143	71.6 Å²	71.6	75%	0.749	41%	0.405	S	S	*	.	S	Bend	trans	-85.1	-22.9	-178.1	-81.4	123.3	0	0	0	114.2	G30 I31 A32	G30-L34 WeakPolarHBondContact O-CD1 3.41Å; I31-L34 PolarHBondContact O-N 2.68Å; A32-L34 VanDerWaalsContact C-N 3.32Å
35	H	57.8	Low	54.9	Low	106 Å²	106	72.9 Å²	72.9	49%	0.491	41%	0.412	S	S	.	.			trans	-154.1	127.4	-178.7	-151.3	-84.9	0	0	0	111.2	I37 A38 T39	H35-I37 PolarHBondContact O-N 3.42Å; H35-I37 VanDerWaalsContact O-N 3.1Å; H35-A38 HydrophobicContact CB-CB 4.05Å; H35-A38 WeakPolarHBondContact O-CA 3.09Å; H35-A38 WeakPolarHBondContact O-CB 3.48Å; H35-A38 PolarHBondContact O-N 2.87Å; H35-T39 PolarHBondContact O-N 3.43Å; H35-T39 VanDerWaalsContact O-N 3.12Å; H35-T39 PolarHBondContact O-OG1 2.88Å
36	P	56.4	Low	55	Low	55 Å²	55	71.1 Å²	71.1	36%	0.357	41%	0.405	S	S	.	.	H	α-helix	trans	-58	-32.1	-175.4	20.2	-31.6	0	0	0	113.2	T39 V40	P36-T39 WeakPolarHBondContact CA-OG1 3.22Å; P36-T39 WeakPolarHBondContact O-CB 3.42Å; P36-T39 PolarHBondContact O-N 3.2Å; P36-T39 PolarHBondContact O-OG1 2.9Å; P36-V40 PolarHBondContact O-N 2.73Å
37	I	55.8	Low	55.3	Low	109 Å²	109	70.9 Å²	70.9	56%	0.559	40%	0.398	S	S	*	.	H	α-helix	trans	-68.5	-39.7	175.1	-58.7	176.5	0	0	0	111.6	H35 T39 V40 L41	H35-I37 PolarHBondContact O-N 3.42Å; H35-I37 VanDerWaalsContact O-N 3.1Å; I37-T39 VanDerWaalsContact C-N 3.27Å; I37-T39 PolarHBondContact O-N 3.27Å; I37-V40 PolarHBondContact O-N 2.97Å; I37-L41 HydrophobicContact CG2-CD1 4.08Å; I37-L41 PolarHBondContact O-N 3.16Å; I37-L41 VanDerWaalsContact O-N 3.11Å
38	A	53	Low	55.3	Low	29 Å²	29	69.9 Å²	69.9	24%	0.24	39%	0.392	C	S	.	.	H	α-helix	trans	-66.8	-33	177.6	0	0	0	0	0	111.1	H35 T42	H35-A38 HydrophobicContact CB-CB 4.05Å; H35-A38 WeakPolarHBondContact O-CA 3.09Å; H35-A38 WeakPolarHBondContact O-CB 3.48Å; H35-A38 PolarHBondContact O-N 2.87Å; A38-T42 VanDerWaalsContact O-CB 3.25Å; A38-T42 WeakPolarHBondContact O-CB 3.26Å; A38-T42 PolarHBondContact O-N 2.88Å; A38-T42 PolarHBondContact O-OG1 2.91Å
39	T	55.8	Low	55	Low	18 Å²	18	68 Å²	68	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-46.3	174.5	-23.2	0	0	0	0	112.1	A32 H35 P36 I37 T42 L43 Y99	A32-T39 HydrophobicContact CB-CG2 3.88Å; A32-T39 WeakPolarHBondContact O-CB 3.35Å; A32-T39 WeakPolarHBondContact O-CG2 3.41Å; A32-T39 PolarHBondContact O-OG1 3.38Å; H35-T39 PolarHBondContact O-N 3.43Å; H35-T39 VanDerWaalsContact O-N 3.12Å; H35-T39 PolarHBondContact O-OG1 2.88Å; P36-T39 WeakPolarHBondContact CA-OG1 3.22Å; P36-T39 WeakPolarHBondContact O-CB 3.42Å; P36-T39 PolarHBondContact O-N 3.2Å; P36-T39 PolarHBondContact O-OG1 2.9Å; I37-T39 VanDerWaalsContact C-N 3.27Å; I37-T39 PolarHBondContact O-N 3.27Å; T39-T42 PolarHBondContact O-N 2.98Å; T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 WeakPolarHBondContact O-CG 3.32Å; T39-L43 PolarHBondContact O-N 3.04Å; T39-Y99 WeakPolarHBondContact CG2-OH 3.37Å
40	V	53.2	Low	54.9	Low	72 Å²	72	65.5 Å²	65.5	44%	0.436	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-45.5	178.1	175.9	0	0	0	0	111.4	P36 I37 T42 L43 L44	P36-V40 PolarHBondContact O-N 2.73Å; I37-V40 PolarHBondContact O-N 2.97Å; V40-T42 VanDerWaalsContact C-N 3.34Å; V40-T42 PolarHBondContact O-N 3.15Å; V40-L43 PolarHBondContact O-N 3.38Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 PolarHBondContact O-N 3.34Å
41	L	54.5	Low	54.5	Low	101 Å²	101	69.9 Å²	69.9	53%	0.529	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-42	175.8	-93.1	147.8	0	0	0	112.1	I37 L44 L45	I37-L41 HydrophobicContact CG2-CD1 4.08Å; I37-L41 PolarHBondContact O-N 3.16Å; I37-L41 VanDerWaalsContact O-N 3.11Å; L41-L44 PolarHBondContact O-N 2.94Å; L41-L45 WeakPolarHBondContact O-CB 2.97Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 2.78Å
42	T	57.7	Low	53.8	Low	17 Å²	17	69.2 Å²	69.2	10%	0.104	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-41.7	177.6	-57.6	0	0	0	0	111.3	L28 A32 A38 T39 V40 L45 C46	L28-T42 HydrophobicContact CB-CG2 3.83Å; A32-T42 HydrophobicContact CB-CG2 4.33Å; A38-T42 VanDerWaalsContact O-CB 3.25Å; A38-T42 WeakPolarHBondContact O-CB 3.26Å; A38-T42 PolarHBondContact O-N 2.88Å; A38-T42 PolarHBondContact O-OG1 2.91Å; T39-T42 PolarHBondContact O-N 2.98Å; V40-T42 VanDerWaalsContact C-N 3.34Å; V40-T42 PolarHBondContact O-N 3.15Å; T42-L45 PolarHBondContact O-N 3.47Å; T42-C46 VanDerWaalsContact O-CB 3.31Å; T42-C46 WeakPolarHBondContact O-CB 3.46Å; T42-C46 PolarHBondContact O-N 2.8Å; T42-C46 PolarHBondContact O-SG 3.38Å
43	L	58.5	Low	53	Low	47 Å²	47	72.5 Å²	72.5	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-63.8	-41.1	174.7	-78.5	166.9	0	0	0	112.2	T39 V40 C46 L47 Y99	T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 WeakPolarHBondContact O-CG 3.32Å; T39-L43 PolarHBondContact O-N 3.04Å; V40-L43 PolarHBondContact O-N 3.38Å; L43-C46 PolarHBondContact O-N 3.34Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 WeakPolarHBondContact O-CG 3.07Å; L43-L47 PolarHBondContact O-N 3.31Å; L43-Y99 HydrophobicContact CD1-CE1 3.74Å
44	L	57.9	Low	52	Low	110 Å²	110	72 Å²	72	58%	0.576	40%	0.396	S	S	*	.	H	α-helix	trans	-66.3	-41.4	177.8	-148	120.2	0	0	0	111	V40 L41 L47 V48	V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 PolarHBondContact O-N 3.34Å; L41-L44 PolarHBondContact O-N 2.94Å; L44-L47 PolarHBondContact O-N 2.89Å; L44-V48 WeakPolarHBondContact O-CB 3.36Å; L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 3.32Å
45	L	57	Low	50.7	Low	111 Å²	111	70.6 Å²	70.6	58%	0.581	39%	0.389	S	S	*	.	H	α-helix	trans	-64.9	-40.9	172.9	-76.2	168.5	0	0	0	112.1	L41 T42 V48 A49	L41-L45 WeakPolarHBondContact O-CB 2.97Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 2.78Å; T42-L45 PolarHBondContact O-N 3.47Å; L45-V48 PolarHBondContact O-N 2.77Å; L45-A49 WeakPolarHBondContact O-CB 3.18Å; L45-A49 PolarHBondContact O-N 3.38Å
46	C	57.6	Low	49.4	Very low	19 Å²	19	69.6 Å²	69.6	13%	0.128	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-40.9	175	-79.6	0	0	0	0	111.3	T42 L43 A49 C50	T42-C46 VanDerWaalsContact O-CB 3.31Å; T42-C46 WeakPolarHBondContact O-CB 3.46Å; T42-C46 PolarHBondContact O-N 2.8Å; T42-C46 PolarHBondContact O-SG 3.38Å; L43-C46 PolarHBondContact O-N 3.34Å; C46-A49 PolarHBondContact O-N 3.27Å; C46-C50 WeakPolarHBondContact O-CB 3.31Å; C46-C50 PolarHBondContact O-N 3.41Å; C46-C50 PolarHBondContact O-SG 3.39Å
47	L	57.6	Low	48.1	Very low	79 Å²	79	71.2 Å²	71.2	41%	0.414	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-53.2	172.4	-82.1	163.1	0	0	0	110.4	L43 L44 A49 C50 F51	L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 WeakPolarHBondContact O-CG 3.07Å; L43-L47 PolarHBondContact O-N 3.31Å; L44-L47 PolarHBondContact O-N 2.89Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 3.3Å; L47-C50 WeakPolarHBondContact O-CB 3.49Å; L47-C50 PolarHBondContact O-N 3.07Å; L47-F51 HydrophobicContact CB-CD2 4.31Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CE2 3.87Å; L47-F51 HydrophobicContact CD2-CZ 4.49Å; L47-F51 WeakPolarHBondContact O-CB 2.97Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 3.38Å
48	V	52.9	Low	46.8	Very low	64 Å²	64	68.9 Å²	68.9	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-58.1	-41.1	178.3	170.7	0	0	0	0	111.6	L44 L45 F51 N52	L44-V48 WeakPolarHBondContact O-CB 3.36Å; L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 3.32Å; L45-V48 PolarHBondContact O-N 2.77Å; V48-F51 PolarHBondContact O-N 2.93Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.16Å; V48-N52 VanDerWaalsContact O-CB 3.3Å; V48-N52 WeakPolarHBondContact O-CB 3.47Å; V48-N52 PolarHBondContact O-N 3.41Å; V48-N52 PolarHBondContact O-ND2 3.05Å; V48-N52 VanDerWaalsContact O-ND2 3.13Å
49	A	48	Very low	45.8	Very low	23 Å²	23	71.8 Å²	71.8	19%	0.19	41%	0.412	C	S	.	.	H	α-helix	trans	-68.9	-42.5	177.6	0	0	0	0	0	112.1	F21 L45 C46 L47 F51 N52 V53	F21-A49 HydrophobicContact CE2-CB 3.46Å; F21-A49 VanDerWaalsContact CE2-CB 3.46Å; F21-A49 HydrophobicContact CZ-CB 3.42Å; F21-A49 VanDerWaalsContact CZ-CB 3.42Å; L45-A49 WeakPolarHBondContact O-CB 3.18Å; L45-A49 PolarHBondContact O-N 3.38Å; C46-A49 PolarHBondContact O-N 3.27Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 3.3Å; A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.18Å; A49-N52 PolarHBondContact O-N 3.06Å; A49-V53 WeakPolarHBondContact O-CB 3.26Å; A49-V53 VanDerWaalsContact O-CG2 3.25Å; A49-V53 WeakPolarHBondContact O-CG2 3.33Å; A49-V53 PolarHBondContact O-N 3.48Å
50	C	50.5	Low	44.7	Very low	40 Å²	40	76 Å²	76	27%	0.27	44%	0.439	S	S	.	.	H	α-helix	trans	-58.5	-45.5	171.6	-80.1	0	0	0	0	111.3	C46 L47 V53 V54 Y88	C46-C50 WeakPolarHBondContact O-CB 3.31Å; C46-C50 PolarHBondContact O-N 3.41Å; C46-C50 PolarHBondContact O-SG 3.39Å; L47-C50 WeakPolarHBondContact O-CB 3.49Å; L47-C50 PolarHBondContact O-N 3.07Å; C50-V53 PolarHBondContact O-N 3.43Å; C50-V54 VanDerWaalsContact O-CG2 3.26Å; C50-V54 WeakPolarHBondContact O-CG2 3.25Å; C50-V54 PolarHBondContact O-N 3.31Å; C50-V54 VanDerWaalsContact O-N 3.07Å; C50-Y88 VanDerWaalsContact CB-OH 3.31Å; C50-Y88 WeakPolarHBondContact CB-OH 3.44Å
51	F	45.4	Very low	43.8	Very low	131 Å²	131	78.1 Å²	78.1	58%	0.575	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-41.1	175.7	-73.6	-63.1	0	0	0	112.3	L47 V48 A49 V54 I55	L47-F51 HydrophobicContact CB-CD2 4.31Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CE2 3.87Å; L47-F51 HydrophobicContact CD2-CZ 4.49Å; L47-F51 WeakPolarHBondContact O-CB 2.97Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 3.38Å; V48-F51 PolarHBondContact O-N 2.93Å; A49-F51 VanDerWaalsContact C-N 3.34Å; A49-F51 PolarHBondContact O-N 3.18Å; F51-V54 PolarHBondContact O-N 3.26Å; F51-I55 WeakPolarHBondContact O-CG1 3.45Å; F51-I55 PolarHBondContact O-N 2.96Å
52	N	38.7	Very low	42.7	Very low	78 Å²	78	76.4 Å²	76.4	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-68.7	-37.5	176.9	-80.9	-39.4	0	0	0	112.7	V48 A49 V54 I55 V56	V48-N52 WeakPolarHBondContact CG1-ND2 3.16Å; V48-N52 VanDerWaalsContact O-CB 3.3Å; V48-N52 WeakPolarHBondContact O-CB 3.47Å; V48-N52 PolarHBondContact O-N 3.41Å; V48-N52 PolarHBondContact O-ND2 3.05Å; V48-N52 VanDerWaalsContact O-ND2 3.13Å; A49-N52 PolarHBondContact O-N 3.06Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 3.24Å; N52-I55 PolarHBondContact O-N 2.77Å; N52-V56 WeakPolarHBondContact O-CB 3.32Å; N52-V56 WeakPolarHBondContact O-CG2 3.37Å; N52-V56 PolarHBondContact O-N 2.91Å
53	V	33.5	Very low	41.3	Very low	74 Å²	74	79.1 Å²	79.1	45%	0.448	47%	0.466	S	S	.	.	H	α-helix	trans	-63.7	-39.4	173.7	172.1	0	0	0	0	110.2	A49 C50 I55 V56 V57	A49-V53 WeakPolarHBondContact O-CB 3.26Å; A49-V53 VanDerWaalsContact O-CG2 3.25Å; A49-V53 WeakPolarHBondContact O-CG2 3.33Å; A49-V53 PolarHBondContact O-N 3.48Å; C50-V53 PolarHBondContact O-N 3.43Å; V53-I55 PolarHBondContact O-N 3Å; V53-V56 PolarHBondContact O-N 2.9Å; V53-V57 HydrophobicContact CG1-CG2 4.24Å; V53-V57 WeakPolarHBondContact O-CG2 3.35Å; V53-V57 PolarHBondContact O-N 3.25Å
54	V	32	Very low	40.3	Very low	85 Å²	85	85.3 Å²	85.3	52%	0.515	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-40.1	174.9	172.1	0	0	0	0	111.7	C50 F51 N52	C50-V54 VanDerWaalsContact O-CG2 3.26Å; C50-V54 WeakPolarHBondContact O-CG2 3.25Å; C50-V54 PolarHBondContact O-N 3.31Å; C50-V54 VanDerWaalsContact O-N 3.07Å; F51-V54 PolarHBondContact O-N 3.26Å; N52-V54 VanDerWaalsContact C-N 3.3Å; N52-V54 PolarHBondContact O-N 3.24Å
55	I	31.4	Very low	39.1	Very low	115 Å²	115	88.3 Å²	88.3	59%	0.59	51%	0.51	S	S	*	.	H	α-helix	trans	-66.9	-38.2	175.3	-66.2	165.3	0	0	0	111.3	F51 N52 V53 A58	F51-I55 WeakPolarHBondContact O-CG1 3.45Å; F51-I55 PolarHBondContact O-N 2.96Å; N52-I55 PolarHBondContact O-N 2.77Å; V53-I55 PolarHBondContact O-N 3Å; I55-A58 WeakPolarHBondContact O-CB 3.35Å; I55-A58 PolarHBondContact O-N 2.86Å
56	V	29.1	Very low	37.7	Very low	84 Å²	84	87.2 Å²	87.2	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-80.5	-18.8	-177.3	173.5	0	0	0	0	113.2	Y14 N52 V53 A58	Y14-V56 HydrophobicContact CD1-CG1 4.2Å; Y14-V56 HydrophobicContact CE1-CG1 4.07Å; N52-V56 WeakPolarHBondContact O-CB 3.32Å; N52-V56 WeakPolarHBondContact O-CG2 3.37Å; N52-V56 PolarHBondContact O-N 2.91Å; V53-V56 PolarHBondContact O-N 2.9Å; V56-A58 PolarHBondContact O-N 2.86Å
57	V	29.5	Very low	36.4	Very low	90 Å²	90	91.3 Å²	91.3	55%	0.545	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.7	171.2	171.8	0	0	0	0	111.6	V53	V53-V57 HydrophobicContact CG1-CG2 4.24Å; V53-V57 WeakPolarHBondContact O-CG2 3.35Å; V53-V57 PolarHBondContact O-N 3.25Å
58	A	30	Very low	35	Very low	59 Å²	59	93.4 Å²	93.4	49%	0.488	54%	0.535	S	S	.	.	S	Bend	trans	-67.1	130.2	162.5	0	0	0	0	0	109.6	I55 V56	I55-A58 WeakPolarHBondContact O-CB 3.35Å; I55-A58 PolarHBondContact O-N 2.86Å; V56-A58 PolarHBondContact O-N 2.86Å
59	P	30.3	Very low	33.7	Very low	90 Å²	90	98.6 Å²	98.6	58%	0.584	55%	0.553	S	S	*	*			trans	-59.4	133.7	-173	20.9	-30.7	0	0	0	111.9	T61	P59-T61 PolarHBondContact O-N 2.79Å
60	P	34.3	Very low	32.7	Very low	106 Å²	106	106.4 Å²	106.4	69%	0.688	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	28.3	-172.6	34.9	-37.1	0	0	0	113.2
61	T	32.8	Very low	31.7	Very low	118 Å²	118	113.4 Å²	113.4	72%	0.724	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	9.2	-176	48.8	0	0	0	0	113.5	P59	P59-T61 PolarHBondContact O-N 2.79Å
62	C	31.7	Very low	30.7	Very low	64 Å²	64	117.3 Å²	117.3	43%	0.432	63%	0.625	S	S	.	*	S	Bend	trans	-103.1	121	176.7	-66.4	0	0	0	0	110.1	L64 T67	C62-L64 PolarHBondContact O-N 2.93Å; C62-T67 HydrophobicContact CB-CG2 4.05Å
63	P	29.7	Very low	30.1	Very low	74 Å²	74	118.1 Å²	118.1	48%	0.481	64%	0.638	S	S	.	*			trans	-48.2	139.7	158.9	-20.5	30.4	0	0	0	108.8	E65 D66	P63-E65 PolarHBondContact O-N 3.38Å; P63-D66 HydrophobicContact CB-CB 4.28Å; P63-D66 HydrophobicContact CG-CB 4.27Å; P63-D66 PolarHBondContact O-N 2.81Å
64	L	36.6	Very low	29.8	Very low	177 Å²	177	119 Å²	119	93%	0.927	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-9.5	-179.6	-148.1	82	0	0	0	112.9	C62	C62-L64 PolarHBondContact O-N 2.93Å
65	E	32.7	Very low	29.5	Very low	174 Å²	174	121.7 Å²	121.7	81%	0.813	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-11	-180	-63.9	179	166	0	0	113.4	P63	P63-E65 PolarHBondContact O-N 3.38Å
66	D	27.8	Very low	29.3	Very low	88 Å²	88	121.1 Å²	121.1	47%	0.471	67%	0.665	S	S	.	*			trans	-114.8	10.3	-172.2	-80.1	-30.5	0	0	0	115	P63 F68	P63-D66 HydrophobicContact CB-CB 4.28Å; P63-D66 HydrophobicContact CG-CB 4.27Å; P63-D66 PolarHBondContact O-N 2.81Å; D66-F68 PolarHBondContact O-N 3.19Å
67	T	30.6	Very low	29.4	Very low	104 Å²	104	121.5 Å²	121.5	64%	0.638	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	4.4	170.2	38.8	0	0	0	0	114	C62	C62-T67 HydrophobicContact CB-CG2 4.05Å
68	F	28.4	Very low	29.2	Very low	123 Å²	123	124.9 Å²	124.9	54%	0.539	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-1.9	-179.8	-84.3	-71.6	0	0	0	115.8	D66 I146	D66-F68 PolarHBondContact O-N 3.19Å; F68-I146 HydrophobicContact CD1-CD1 3.77Å; F68-I146 HydrophobicContact CD1-CG1 4.5Å; F68-I146 HydrophobicContact CD1-CG2 4.28Å; F68-I146 HydrophobicContact CE1-CB 4.25Å; F68-I146 HydrophobicContact CE1-CD1 3.63Å; F68-I146 HydrophobicContact CE1-CG1 3.87Å; F68-I146 HydrophobicContact CE1-CG2 3.42Å; F68-I146 VanDerWaalsContact CE1-CG2 3.42Å; F68-I146 HydrophobicContact CZ-CG2 4.17Å
69	F	24.9	Very low	29	Very low	173 Å²	173	123.9 Å²	123.9	76%	0.759	68%	0.681	S	S	*	*	S	Bend	trans	-112.1	16.3	-168.2	-103.1	-79.2	0	0	0	118
70	F	27.1	Very low	28.9	Very low	187 Å²	187	128.2 Å²	128.2	82%	0.82	69%	0.691	S	S	*	*	S	Bend	trans	-121.5	40.8	-176.1	-100.2	-80.1	0	0	0	115.4
71	F	29	Very low	28.7	Very low	188 Å²	188	129.7 Å²	129.7	83%	0.825	69%	0.692	S	S	*	*			trans	-146.2	61.6	165.2	-95.2	-84.9	0	0	0	111.3	C77	F71-C77 VanDerWaalsContact CE1-SG 3.55Å
72	K	25.1	Very low	28.8	Very low	212 Å²	212	127.8 Å²	127.8	92%	0.922	68%	0.684	S	S	*	*			trans	-134.7	74.8	165.6	-163.4	176.2	-176	177.9	0	109.6
73	S	26.1	Very low	28.7	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	69%	0.692	S	S	*	*			trans	-161.4	96.5	165.1	176.9	0	0	0	0	104.4
74	S	26.2	Very low	28.9	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	69%	0.687	S	S	*	*				60.4	105.9	108.4	169.8	0	0	0	0	110.8
75	D	26.6	Very low	29.1	Very low	141 Å²	141	124.6 Å²	124.6	75%	0.754	66%	0.662	S	S	*	*	S	Bend	trans	52.3	114.7	149	-52	-47.4	0	0	0	117
76	S	26.9	Very low	29.2	Very low	103 Å²	103	120.2 Å²	120.2	72%	0.72	65%	0.646	S	S	*	*			trans	72.5	84.2	173.9	73.1	0	0	0	0	116.2	D78	S76-D78 PolarHBondContact O-N 3.02Å
77	C	30.3	Very low	29.6	Very low	92 Å²	92	121.8 Å²	121.8	62%	0.622	65%	0.654	S	S	*	*			trans	-87	66.9	160.4	-75.6	0	0	0	0	110.6	F71 G79	F71-C77 VanDerWaalsContact CE1-SG 3.55Å; C77-G79 PolarHBondContact O-N 2.98Å
78	D	25.7	Very low	30.3	Very low	160 Å²	160	121.2 Å²	121.2	86%	0.856	64%	0.64	S	S	*	*			trans	-74.3	64.7	158.9	-73.8	-24.8	0	0	0	108.3	S76	S76-D78 PolarHBondContact O-N 3.02Å
79	G	27.3	Very low	31.1	Very low	39 Å²	39	119.5 Å²	119.5	40%	0.402	63%	0.633	S	S	.	*			trans	-93.2	122	-172.1	0	0	0	0	0	111.2	C77 L81 S82	C77-G79 PolarHBondContact O-N 2.98Å; G79-L81 PolarHBondContact O-N 3.4Å; G79-S82 WeakPolarHBondContact O-CB 3.39Å; G79-S82 PolarHBondContact O-N 3.27Å
80	F	27.9	Very low	32	Very low	180 Å²	180	114.6 Å²	114.6	79%	0.789	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-30.1	-17.7	167.3	-168.6	-102.3	0	0	0	117.8	T84	F80-T84 HydrophobicContact CE1-CG2 4.32Å; F80-T84 WeakPolarHBondContact O-CG2 3.4Å; F80-T84 PolarHBondContact O-OG1 3.43Å
81	L	30.1	Very low	32.9	Very low	138 Å²	138	108.1 Å²	108.1	72%	0.723	60%	0.597	S	S	*	*	H	α-helix	trans	-81	-14.1	173.3	-78.1	161.9	0	0	0	115	G79 T84 N85	G79-L81 PolarHBondContact O-N 3.4Å; L81-T84 WeakPolarHBondContact CA-OG1 3.49Å; L81-N85 WeakPolarHBondContact O-CB 3.3Å
82	S	33.7	Very low	33.9	Very low	78 Å²	78	101.8 Å²	101.8	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-73.9	-53.4	175.1	177.8	0	0	0	0	110.9	G79 N85	G79-S82 WeakPolarHBondContact O-CB 3.39Å; G79-S82 PolarHBondContact O-N 3.27Å; S82-N85 PolarHBondContact O-N 2.9Å
83	D	30.6	Very low	35	Very low	114 Å²	114	94.9 Å²	94.9	61%	0.61	55%	0.549	S	S	*	.	H	α-helix	trans	-75	-36.3	-175.9	-70.9	-28.7	0	0	0	113.4	N85 V86 I87	D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.79Å; D83-V86 PolarHBondContact O-N 3.39Å; D83-I87 WeakPolarHBondContact O-CG1 3.27Å; D83-I87 PolarHBondContact O-N 3.21Å; D83-I87 VanDerWaalsContact O-N 3.13Å
84	T	33.4	Very low	36.1	Very low	60 Å²	60	94.7 Å²	94.7	37%	0.368	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-29.6	178	47.5	0	0	0	0	112.3	F80 L81 Y88	F80-T84 HydrophobicContact CE1-CG2 4.32Å; F80-T84 WeakPolarHBondContact O-CG2 3.4Å; F80-T84 PolarHBondContact O-OG1 3.43Å; L81-T84 WeakPolarHBondContact CA-OG1 3.49Å; T84-Y88 WeakPolarHBondContact O-CB 3.44Å; T84-Y88 PolarHBondContact O-N 3.33Å
85	N	40.5	Very low	37.3	Very low	74 Å²	74	95.5 Å²	95.5	40%	0.396	54%	0.541	S	S	.	.	H	α-helix	trans	-68.7	-36.8	174.7	-118.7	-39.6	0	0	0	112.1	L81 S82 D83 K89	L81-N85 WeakPolarHBondContact O-CB 3.3Å; S82-N85 PolarHBondContact O-N 2.9Å; D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.79Å; N85-K89 WeakPolarHBondContact O-CB 3.47Å; N85-K89 VanDerWaalsContact O-CD 3.23Å; N85-K89 WeakPolarHBondContact O-CD 3.18Å; N85-K89 WeakPolarHBondContact O-CG 3.46Å; N85-K89 PolarHBondContact O-N 2.83Å; N85-K89 WeakPolarHBondContact OD1-CE 3.45Å
86	V	35.5	Very low	38.6	Very low	82 Å²	82	91.3 Å²	91.3	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-46.3	-179.5	178.9	0	0	0	0	110.4	D83 Y88 K89 C90	D83-V86 PolarHBondContact O-N 3.39Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.44Å; V86-K89 PolarHBondContact O-N 2.85Å; V86-C90 WeakPolarHBondContact O-CB 3.48Å; V86-C90 PolarHBondContact O-N 2.91Å; V86-C90 PolarHBondContact O-SG 3.13Å
87	I	35.3	Very low	39.7	Very low	121 Å²	121	91.7 Å²	91.7	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-62.6	-40.7	177.8	-64	171	0	0	0	110.7	D83 C90 S91	D83-I87 WeakPolarHBondContact O-CG1 3.27Å; D83-I87 PolarHBondContact O-N 3.21Å; D83-I87 VanDerWaalsContact O-N 3.13Å; I87-C90 PolarHBondContact O-N 2.81Å; I87-S91 WeakPolarHBondContact O-CB 3.22Å; I87-S91 PolarHBondContact O-N 2.94Å; I87-S91 PolarHBondContact O-OG 3.35Å
88	Y	45.4	Very low	40.7	Very low	92 Å²	92	94.4 Å²	94.4	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-69.5	-39.4	177.4	-170.4	-96.4	0	0	0	112.7	C50 T84 V86 S91 V92	C50-Y88 VanDerWaalsContact CB-OH 3.31Å; C50-Y88 WeakPolarHBondContact CB-OH 3.44Å; T84-Y88 WeakPolarHBondContact O-CB 3.44Å; T84-Y88 PolarHBondContact O-N 3.33Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.44Å; Y88-S91 WeakPolarHBondContact CA-OG 3.25Å; Y88-S91 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-OG 3.19Å; Y88-V92 HydrophobicContact CD1-CG2 4.14Å; Y88-V92 HydrophobicContact CE1-CG2 3.81Å; Y88-V92 WeakPolarHBondContact O-CB 3.46Å; Y88-V92 VanDerWaalsContact O-CG2 3.27Å; Y88-V92 WeakPolarHBondContact O-CG2 3.39Å; Y88-V92 PolarHBondContact O-N 2.82Å
89	K	46	Very low	42	Very low	87 Å²	87	88.5 Å²	88.5	38%	0.378	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-41.9	173.9	-75.1	167	-169.9	176.7	0	111.4	N85 V86 T93	N85-K89 WeakPolarHBondContact O-CB 3.47Å; N85-K89 VanDerWaalsContact O-CD 3.23Å; N85-K89 WeakPolarHBondContact O-CD 3.18Å; N85-K89 WeakPolarHBondContact O-CG 3.46Å; N85-K89 PolarHBondContact O-N 2.83Å; N85-K89 WeakPolarHBondContact OD1-CE 3.45Å; V86-K89 PolarHBondContact O-N 2.85Å; K89-T93 WeakPolarHBondContact O-CB 3.48Å; K89-T93 PolarHBondContact O-N 2.81Å; K89-T93 PolarHBondContact O-OG1 2.91Å
90	C	42.7	Very low	43.1	Very low	70 Å²	70	88.3 Å²	88.3	47%	0.473	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-47	174.2	-79	0	0	0	0	110.9	V86 I87 V92 T93 T94	V86-C90 WeakPolarHBondContact O-CB 3.48Å; V86-C90 PolarHBondContact O-N 2.91Å; V86-C90 PolarHBondContact O-SG 3.13Å; I87-C90 PolarHBondContact O-N 2.81Å; C90-V92 PolarHBondContact O-N 3.27Å; C90-T93 PolarHBondContact O-N 2.92Å; C90-T94 VanDerWaalsContact O-CB 3.31Å; C90-T94 WeakPolarHBondContact O-CB 3.35Å; C90-T94 PolarHBondContact O-N 3.21Å; C90-T94 PolarHBondContact O-OG1 3.33Å
91	S	45.9	Very low	44.1	Very low	50 Å²	50	83.7 Å²	83.7	35%	0.35	45%	0.447	S	S	.	.	H	α-helix	trans	-65.2	-40	-178.8	65.5	0	0	0	0	112.8	I87 Y88 L95	I87-S91 WeakPolarHBondContact O-CB 3.22Å; I87-S91 PolarHBondContact O-N 2.94Å; I87-S91 PolarHBondContact O-OG 3.35Å; Y88-S91 WeakPolarHBondContact CA-OG 3.25Å; Y88-S91 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-OG 3.19Å; S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.4Å; S91-L95 WeakPolarHBondContact O-CD1 2.99Å; S91-L95 WeakPolarHBondContact O-CG 3.49Å; S91-L95 PolarHBondContact O-N 2.75Å
92	V	51.2	Low	45.1	Very low	56 Å²	56	81.4 Å²	81.4	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-43.5	173.6	173	0	0	0	0	110.9	Y88 C90 L95 F96	Y88-V92 HydrophobicContact CD1-CG2 4.14Å; Y88-V92 HydrophobicContact CE1-CG2 3.81Å; Y88-V92 WeakPolarHBondContact O-CB 3.46Å; Y88-V92 VanDerWaalsContact O-CG2 3.27Å; Y88-V92 WeakPolarHBondContact O-CG2 3.39Å; Y88-V92 PolarHBondContact O-N 2.82Å; C90-V92 PolarHBondContact O-N 3.27Å; V92-L95 PolarHBondContact O-N 2.94Å; V92-F96 WeakPolarHBondContact O-CB 3.19Å; V92-F96 PolarHBondContact O-N 3.32Å
93	T	48.1	Very low	45.8	Very low	67 Å²	67	79.4 Å²	79.4	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-40.7	179	-49.7	0	0	0	0	111.5	K89 C90 F96 L97	K89-T93 WeakPolarHBondContact O-CB 3.48Å; K89-T93 PolarHBondContact O-N 2.81Å; K89-T93 PolarHBondContact O-OG1 2.91Å; C90-T93 PolarHBondContact O-N 2.92Å; T93-F96 PolarHBondContact O-N 3.47Å; T93-L97 HydrophobicContact CG2-CD1 4.19Å; T93-L97 WeakPolarHBondContact O-CB 2.89Å; T93-L97 WeakPolarHBondContact O-CG 3.15Å; T93-L97 PolarHBondContact O-N 3.03Å
94	T	48.4	Very low	46.5	Very low	92 Å²	92	79.7 Å²	79.7	56%	0.564	42%	0.417	S	S	*	.	H	α-helix	trans	-66	-41.7	175.2	-60	0	0	0	0	111.4	C90 F96 L97 W98	C90-T94 VanDerWaalsContact O-CB 3.31Å; C90-T94 WeakPolarHBondContact O-CB 3.35Å; C90-T94 PolarHBondContact O-N 3.21Å; C90-T94 PolarHBondContact O-OG1 3.33Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 3.3Å; T94-L97 PolarHBondContact O-N 3.32Å; T94-W98 WeakPolarHBondContact O-CB 3.45Å; T94-W98 PolarHBondContact O-N 3.2Å
95	L	52	Low	46.8	Very low	110 Å²	110	80.2 Å²	80.2	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-62.8	-40.3	173.5	-84.8	161.6	0	0	0	111.5	S91 V92 Y99	S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.4Å; S91-L95 WeakPolarHBondContact O-CD1 2.99Å; S91-L95 WeakPolarHBondContact O-CG 3.49Å; S91-L95 PolarHBondContact O-N 2.75Å; V92-L95 PolarHBondContact O-N 2.94Å; L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.28Å
96	F	53.9	Low	47	Very low	53 Å²	53	81.3 Å²	81.3	23%	0.232	43%	0.431	C	S	.	.	H	α-helix	trans	-64.9	-50.1	176.3	-150.7	-104.1	0	0	0	110.8	V92 T93 T94 W98 Y99 F100 C127	V92-F96 WeakPolarHBondContact O-CB 3.19Å; V92-F96 PolarHBondContact O-N 3.32Å; T93-F96 PolarHBondContact O-N 3.47Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 3.3Å; F96-W98 VanDerWaalsContact C-N 3.34Å; F96-W98 PolarHBondContact O-N 2.83Å; F96-Y99 WeakPolarHBondContact O-CB 3.41Å; F96-Y99 PolarHBondContact O-N 3.33Å; F96-F100 AromaticContact CD1-CD2 3.79Å; F96-F100 HydrophobicContact CD1-CD2 3.79Å; F96-F100 AromaticContact CD1-CE2 3.6Å; F96-F100 HydrophobicContact CD1-CE2 3.6Å; F96-F100 AromaticContact CE1-CD2 3.91Å; F96-F100 HydrophobicContact CE1-CD2 3.91Å; F96-F100 AromaticContact CE1-CE2 3.21Å; F96-F100 HydrophobicContact CE1-CE2 3.21Å; F96-F100 HydrophobicContact CE1-CZ 4.08Å; F96-F100 HydrophobicContact CE2-CE2 4.45Å; F96-F100 HydrophobicContact CG-CD2 4.45Å; F96-F100 HydrophobicContact CG-CE2 4.38Å; F96-F100 AromaticContact CZ-CE2 3.7Å; F96-F100 HydrophobicContact CZ-CE2 3.7Å; F96-F100 HydrophobicContact CZ-CZ 4.46Å; F96-F100 VanDerWaalsContact O-CD2 3.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å; F96-F100 PolarHBondContact O-N 3.26Å; F96-C127 HydrophobicContact CE1-CB 4.3Å
97	L	50.6	Low	47.3	Very low	110 Å²	110	79.2 Å²	79.2	58%	0.576	42%	0.417	S	S	*	.	H	α-helix	trans	-59.3	-44	176.3	-75.9	166.6	0	0	0	112.1	T93 T94 Y99 F100 T101	T93-L97 HydrophobicContact CG2-CD1 4.19Å; T93-L97 WeakPolarHBondContact O-CB 2.89Å; T93-L97 WeakPolarHBondContact O-CG 3.15Å; T93-L97 PolarHBondContact O-N 3.03Å; T94-L97 PolarHBondContact O-N 3.32Å; L97-Y99 VanDerWaalsContact C-N 3.33Å; L97-Y99 PolarHBondContact O-N 3.32Å; L97-F100 PolarHBondContact O-N 3.24Å; L97-T101 PolarHBondContact O-N 2.83Å; L97-T101 PolarHBondContact O-OG1 3.05Å; L97-T101 VanDerWaalsContact O-OG1 3.07Å
98	W	51.2	Low	47.8	Very low	149 Å²	149	80.5 Å²	80.5	56%	0.564	42%	0.424	S	S	*	.	H	α-helix	trans	-61.4	-42.8	177.1	-176.5	78.8	0	0	0	111.6	T94 F96 T101 M102	T94-W98 WeakPolarHBondContact O-CB 3.45Å; T94-W98 PolarHBondContact O-N 3.2Å; F96-W98 VanDerWaalsContact C-N 3.34Å; F96-W98 PolarHBondContact O-N 2.83Å; W98-T101 VanDerWaalsContact C-OG1 3.29Å; W98-T101 WeakPolarHBondContact CA-OG1 3.49Å; W98-T101 PolarHBondContact O-N 2.85Å; W98-T101 PolarHBondContact O-OG1 3.45Å; W98-M102 HydrophobicContact CD2-CG 4.13Å; W98-M102 HydrophobicContact CE3-CG 4.44Å; W98-M102 HydrophobicContact CH2-CE 4.21Å; W98-M102 HydrophobicContact CH2-CG 4.31Å; W98-M102 HydrophobicContact CZ2-CE 3.36Å; W98-M102 HydrophobicContact CZ2-CG 3.98Å; W98-M102 WeakPolarHBondContact O-CB 3.34Å; W98-M102 WeakPolarHBondContact O-CG 3.32Å; W98-M102 PolarHBondContact O-N 3.22Å
99	Y	53	Low	47.9	Very low	36 Å²	36	84.7 Å²	84.7	14%	0.141	45%	0.447	C	S	.	.	H	α-helix	trans	-62.8	-42	175.8	179.6	-100.1	0	0	0	112.3	T39 L43 L95 F96 L97 M102 L103	T39-Y99 WeakPolarHBondContact CG2-OH 3.37Å; L43-Y99 HydrophobicContact CD1-CE1 3.74Å; L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.28Å; F96-Y99 WeakPolarHBondContact O-CB 3.41Å; F96-Y99 PolarHBondContact O-N 3.33Å; L97-Y99 VanDerWaalsContact C-N 3.33Å; L97-Y99 PolarHBondContact O-N 3.32Å; Y99-M102 PolarHBondContact O-N 3.45Å; Y99-L103 HydrophobicContact CD1-CD1 3.74Å; Y99-L103 HydrophobicContact CE1-CD1 3.14Å; Y99-L103 HydrophobicContact CE1-CG 4.13Å; Y99-L103 HydrophobicContact CE2-CD1 4.26Å; Y99-L103 HydrophobicContact CE2-CG 4.45Å; Y99-L103 HydrophobicContact CG-CD1 4.49Å; Y99-L103 VanDerWaalsContact CZ-CD1 3.43Å; Y99-L103 WeakPolarHBondContact O-CB 3.19Å; Y99-L103 PolarHBondContact O-N 3.29Å
100	F	48.8	Very low	48	Very low	35 Å²	35	86.3 Å²	86.3	15%	0.154	46%	0.46	C	S	.	.	H	α-helix	trans	-63	-44.4	172.6	-90.5	-90.3	0	0	0	112	F96 L97 M102 L103 I104 Y120 V124	F96-F100 AromaticContact CD1-CD2 3.79Å; F96-F100 HydrophobicContact CD1-CD2 3.79Å; F96-F100 AromaticContact CD1-CE2 3.6Å; F96-F100 HydrophobicContact CD1-CE2 3.6Å; F96-F100 AromaticContact CE1-CD2 3.91Å; F96-F100 HydrophobicContact CE1-CD2 3.91Å; F96-F100 AromaticContact CE1-CE2 3.21Å; F96-F100 HydrophobicContact CE1-CE2 3.21Å; F96-F100 HydrophobicContact CE1-CZ 4.08Å; F96-F100 HydrophobicContact CE2-CE2 4.45Å; F96-F100 HydrophobicContact CG-CD2 4.45Å; F96-F100 HydrophobicContact CG-CE2 4.38Å; F96-F100 AromaticContact CZ-CE2 3.7Å; F96-F100 HydrophobicContact CZ-CE2 3.7Å; F96-F100 HydrophobicContact CZ-CZ 4.46Å; F96-F100 VanDerWaalsContact O-CD2 3.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å; F96-F100 PolarHBondContact O-N 3.26Å; L97-F100 PolarHBondContact O-N 3.24Å; F100-M102 VanDerWaalsContact C-N 3.26Å; F100-M102 PolarHBondContact O-N 2.86Å; F100-L103 PolarHBondContact O-N 2.91Å; F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.22Å; F100-I104 WeakPolarHBondContact O-CG1 3.47Å; F100-I104 PolarHBondContact O-N 2.9Å; F100-Y120 HydrophobicContact CE1-CD1 4.41Å; F100-Y120 HydrophobicContact CZ-CD1 4.33Å; F100-V124 HydrophobicContact CD1-CG2 3.89Å; F100-V124 HydrophobicContact CD2-CG2 4.26Å; F100-V124 HydrophobicContact CE1-CG2 3.2Å; F100-V124 HydrophobicContact CE2-CG2 3.7Å; F100-V124 HydrophobicContact CG-CG2 4.38Å; F100-V124 HydrophobicContact CZ-CG2 3.12Å
101	T	50.8	Low	48.3	Very low	84 Å²	84	92.8 Å²	92.8	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-66.4	-25.8	177.1	47.7	0	0	0	0	113.6	L97 W98 P105	L97-T101 PolarHBondContact O-N 2.83Å; L97-T101 PolarHBondContact O-OG1 3.05Å; L97-T101 VanDerWaalsContact O-OG1 3.07Å; W98-T101 VanDerWaalsContact C-OG1 3.29Å; W98-T101 WeakPolarHBondContact CA-OG1 3.49Å; W98-T101 PolarHBondContact O-N 2.85Å; W98-T101 PolarHBondContact O-OG1 3.45Å; T101-P105 WeakPolarHBondContact O-CD 3.26Å; T101-P105 WeakPolarHBondContact O-CG 3.38Å
102	M	49.7	Very low	48.6	Very low	89 Å²	89	92.4 Å²	92.4	44%	0.438	47%	0.474	S	S	.	.	H	α-helix	trans	-84.1	-31.4	175.4	-75.4	-63.3	-153.6	0	0	112.7	W98 Y99 F100 P105 V106	W98-M102 HydrophobicContact CD2-CG 4.13Å; W98-M102 HydrophobicContact CE3-CG 4.44Å; W98-M102 HydrophobicContact CH2-CE 4.21Å; W98-M102 HydrophobicContact CH2-CG 4.31Å; W98-M102 HydrophobicContact CZ2-CE 3.36Å; W98-M102 HydrophobicContact CZ2-CG 3.98Å; W98-M102 WeakPolarHBondContact O-CB 3.34Å; W98-M102 WeakPolarHBondContact O-CG 3.32Å; W98-M102 PolarHBondContact O-N 3.22Å; Y99-M102 PolarHBondContact O-N 3.45Å; F100-M102 VanDerWaalsContact C-N 3.26Å; F100-M102 PolarHBondContact O-N 2.86Å; M102-P105 WeakPolarHBondContact O-CD 2.91Å; M102-V106 WeakPolarHBondContact O-CG2 3.32Å; M102-V106 PolarHBondContact O-N 2.89Å
103	L	49.7	Very low	48.9	Very low	37 Å²	37	95.3 Å²	95.3	19%	0.194	49%	0.487	C	S	.	.	H	α-helix	trans	-70.9	-32.7	175.7	-88.3	171.4	0	0	0	113.5	Y99 F100 N107 Y120	Y99-L103 HydrophobicContact CD1-CD1 3.74Å; Y99-L103 HydrophobicContact CE1-CD1 3.14Å; Y99-L103 HydrophobicContact CE1-CG 4.13Å; Y99-L103 HydrophobicContact CE2-CD1 4.26Å; Y99-L103 HydrophobicContact CE2-CG 4.45Å; Y99-L103 HydrophobicContact CG-CD1 4.49Å; Y99-L103 VanDerWaalsContact CZ-CD1 3.43Å; Y99-L103 WeakPolarHBondContact O-CB 3.19Å; Y99-L103 PolarHBondContact O-N 3.29Å; F100-L103 PolarHBondContact O-N 2.91Å; L103-N107 PolarHBondContact O-N 3.41Å; L103-Y120 HydrophobicContact CD1-CE1 4.34Å
104	I	44.8	Very low	49	Very low	120 Å²	120	100.7 Å²	100.7	62%	0.615	50%	0.501	S	S	*	.	H	α-helix	trans	-60.3	-46.8	-179.6	-69.2	161.9	0	0	0	112.6	F100	F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.22Å; F100-I104 WeakPolarHBondContact O-CG1 3.47Å; F100-I104 PolarHBondContact O-N 2.9Å
105	P	38.8	Very low	49.1	Very low	70 Å²	70	104 Å²	104	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-81.5	-30.8	179.2	27.9	-33.2	0	0	0	114.5	T101 M102 N107 L108	T101-P105 WeakPolarHBondContact O-CD 3.26Å; T101-P105 WeakPolarHBondContact O-CG 3.38Å; M102-P105 WeakPolarHBondContact O-CD 2.91Å; P105-N107 PolarHBondContact O-N 3.49Å; P105-L108 PolarHBondContact O-N 3.23Å
106	V	44.5	Very low	49.1	Very low	98 Å²	98	101.4 Å²	101.4	59%	0.594	49%	0.492	S	S	*	.	H	α-helix	trans	-70.1	-18.2	-179.3	178.7	0	0	0	0	112.2	M102	M102-V106 WeakPolarHBondContact O-CG2 3.32Å; M102-V106 PolarHBondContact O-N 2.89Å
107	N	42.2	Very low	49	Very low	37 Å²	37	102.5 Å²	102.5	20%	0.198	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.7	177.2	-93	-33.2	0	0	0	115.6	L103 P105 E109 N110 L112	L103-N107 PolarHBondContact O-N 3.41Å; P105-N107 PolarHBondContact O-N 3.49Å; N107-E109 VanDerWaalsContact C-N 3.3Å; N107-N110 CarbonylContact C-O 3.58Å; N107-N110 PolarHBondContact OD1-O 3.01Å; N107-L112 HydrophobicContact CB-CB 4.08Å; N107-L112 HydrophobicContact CB-CD1 4.33Å; N107-L112 HydrophobicContact CB-CD2 4.48Å; N107-L112 HydrophobicContact CB-CG 4.49Å; N107-L112 WeakPolarHBondContact ND2-CD1 3.31Å; N107-L112 WeakPolarHBondContact ND2-CD2 3.3Å; N107-L112 VanDerWaalsContact OD1-CD1 3.28Å; N107-L112 WeakPolarHBondContact OD1-CD1 3.34Å
108	L	45.3	Very low	49	Very low	148 Å²	148	100.6 Å²	100.6	78%	0.775	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.7	169.2	-87.6	156.5	0	0	0	111.9	P105	P105-L108 PolarHBondContact O-N 3.23Å
109	E	48.8	Very low	48.9	Very low	181 Å²	181	99.6 Å²	99.6	85%	0.846	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-32.6	177	-69.2	-176.6	163.4	0	0	113.1	N107	N107-E109 VanDerWaalsContact C-N 3.3Å
110	N	48.3	Very low	48.9	Very low	120 Å²	120	99.7 Å²	99.7	64%	0.642	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	106.9	174.7	-77.1	-33.7	0	0	0	108.8	N107 L112	N107-N110 CarbonylContact C-O 3.58Å; N107-N110 PolarHBondContact OD1-O 3.01Å; N110-L112 VanDerWaalsContact C-N 3.29Å; N110-L112 PolarHBondContact O-N 3.47Å
111	K	48.5	Very low	49	Very low	207 Å²	207	102.7 Å²	102.7	90%	0.9	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	86.5	-179.1	-68.5	178.7	-179	176.4	0	112.1	L113	K111-L113 PolarHBondContact O-N 3.34Å
112	L	52.6	Low	49	Very low	41 Å²	41	102.9 Å²	102.9	22%	0.215	51%	0.508	C	S	.	.			trans	-62.4	128.2	173.6	-147.2	72.2	0	0	0	107.6	N107 N110 Y114 E116 I117 Y120	N107-L112 HydrophobicContact CB-CB 4.08Å; N107-L112 HydrophobicContact CB-CD1 4.33Å; N107-L112 HydrophobicContact CB-CD2 4.48Å; N107-L112 HydrophobicContact CB-CG 4.49Å; N107-L112 WeakPolarHBondContact ND2-CD1 3.31Å; N107-L112 WeakPolarHBondContact ND2-CD2 3.3Å; N107-L112 VanDerWaalsContact OD1-CD1 3.28Å; N107-L112 WeakPolarHBondContact OD1-CD1 3.34Å; N110-L112 VanDerWaalsContact C-N 3.29Å; N110-L112 PolarHBondContact O-N 3.47Å; L112-Y114 PolarHBondContact O-N 3.3Å; L112-E116 WeakPolarHBondContact CD1-OE2 3.47Å; L112-E116 HydrophobicContact CD2-CB 3.88Å; L112-E116 HydrophobicContact CG-CB 3.86Å; L112-E116 VanDerWaalsContact CG-OE2 3.3Å; L112-E116 WeakPolarHBondContact CG-OE2 3.27Å; L112-I117 HydrophobicContact CD2-CG1 3.99Å; L112-Y120 HydrophobicContact CD2-CD2 4.22Å; L112-Y120 HydrophobicContact CD2-CE2 4.03Å
113	L	56.6	Low	49.2	Very low	117 Å²	117	102.4 Å²	102.4	61%	0.613	51%	0.506	S	S	*	.			trans	-64	138.5	-179.7	-74.8	161.3	0	0	0	107.8	K111 K115 E116 I117	K111-L113 PolarHBondContact O-N 3.34Å; L113-K115 PolarHBondContact O-N 3.36Å; L113-E116 HydrophobicContact CB-CG 4.41Å; L113-E116 PolarHBondContact N-OE2 3.32Å; L113-E116 WeakPolarHBondContact O-CB 3.44Å; L113-E116 PolarHBondContact O-N 3.5Å; L113-I117 PolarHBondContact O-N 3.49Å
114	Y	50.4	Low	49.3	Very low	181 Å²	181	102.8 Å²	102.8	71%	0.71	51%	0.51	S	S	*	.	H	α-helix	trans	-47.4	-30.8	175.1	-177	-106.5	0	0	0	112.6	L112 I117 I118	L112-Y114 PolarHBondContact O-N 3.3Å; Y114-I117 PolarHBondContact O-N 3.07Å; Y114-I118 HydrophobicContact CD1-CD1 3.5Å; Y114-I118 VanDerWaalsContact CD1-CD1 3.5Å; Y114-I118 HydrophobicContact CD1-CG1 4.36Å; Y114-I118 HydrophobicContact CE1-CD1 3.27Å; Y114-I118 HydrophobicContact CE1-CG1 4.13Å; Y114-I118 HydrophobicContact CG-CD1 4.37Å; Y114-I118 WeakPolarHBondContact O-CG1 3.34Å; Y114-I118 PolarHBondContact O-N 3.43Å
115	K	49.5	Very low	49.5	Very low	161 Å²	161	101.7 Å²	101.7	70%	0.7	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-41.6	173.3	-67.1	-175.9	176.8	-179.2	0	113.8	L113 I118 M119	L113-K115 PolarHBondContact O-N 3.36Å; K115-I118 PolarHBondContact O-N 3.27Å; K115-M119 WeakPolarHBondContact O-CG 3.26Å; K115-M119 PolarHBondContact O-N 3.02Å
116	E	53	Low	50	Low	55 Å²	55	101.8 Å²	101.8	26%	0.257	51%	0.508	S	S	.	.	H	α-helix	trans	-70.2	-41.3	-179.8	-65.8	172.3	126.4	0	0	110	L112 L113 I118 M119 Y120	L112-E116 WeakPolarHBondContact CD1-OE2 3.47Å; L112-E116 HydrophobicContact CD2-CB 3.88Å; L112-E116 HydrophobicContact CG-CB 3.86Å; L112-E116 VanDerWaalsContact CG-OE2 3.3Å; L112-E116 WeakPolarHBondContact CG-OE2 3.27Å; L113-E116 HydrophobicContact CB-CG 4.41Å; L113-E116 PolarHBondContact N-OE2 3.32Å; L113-E116 WeakPolarHBondContact O-CB 3.44Å; L113-E116 PolarHBondContact O-N 3.5Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.48Å; E116-M119 PolarHBondContact O-N 2.9Å; E116-M119 VanDerWaalsContact O-N 3.15Å; E116-Y120 HydrophobicContact CB-CD2 4.43Å; E116-Y120 HydrophobicContact CB-CE2 4.24Å; E116-Y120 WeakPolarHBondContact O-CD2 3.19Å; E116-Y120 PolarHBondContact O-N 3.28Å
117	I	50.9	Low	50.4	Low	77 Å²	77	99 Å²	99	40%	0.395	49%	0.492	S	S	.	.	H	α-helix	trans	-57.3	-44.9	173	-59.4	175.5	0	0	0	110.5	L112 L113 Y114 Y120 N121	L112-I117 HydrophobicContact CD2-CG1 3.99Å; L113-I117 PolarHBondContact O-N 3.49Å; Y114-I117 PolarHBondContact O-N 3.07Å; I117-Y120 PolarHBondContact O-N 3.44Å; I117-N121 PolarHBondContact O-N 3.27Å; I117-N121 PolarHBondContact O-ND2 3.44Å
118	I	51	Low	50.7	Low	69 Å²	69	100.7 Å²	100.7	35%	0.354	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-47.2	175.6	-69.6	164.3	0	0	0	111.1	Y114 K115 E116 Y120 N121 I122	Y114-I118 HydrophobicContact CD1-CD1 3.5Å; Y114-I118 VanDerWaalsContact CD1-CD1 3.5Å; Y114-I118 HydrophobicContact CD1-CG1 4.36Å; Y114-I118 HydrophobicContact CE1-CD1 3.27Å; Y114-I118 HydrophobicContact CE1-CG1 4.13Å; Y114-I118 HydrophobicContact CG-CD1 4.37Å; Y114-I118 WeakPolarHBondContact O-CG1 3.34Å; Y114-I118 PolarHBondContact O-N 3.43Å; K115-I118 PolarHBondContact O-N 3.27Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.48Å; I118-Y120 VanDerWaalsContact C-N 3.32Å; I118-Y120 PolarHBondContact O-N 3.42Å; I118-N121 PolarHBondContact O-N 2.93Å; I118-I122 HydrophobicContact CG2-CD1 3.72Å; I118-I122 HydrophobicContact CG2-CG1 4.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.35Å; I118-I122 PolarHBondContact O-N 2.9Å
119	M	50.5	Low	50.9	Low	129 Å²	129	98.8 Å²	98.8	64%	0.635	49%	0.491	S	S	*	.	H	α-helix	trans	-60.5	-41.3	179.5	-75.5	-64.7	-64.4	0	0	112.4	K115 E116 I122 L123	K115-M119 WeakPolarHBondContact O-CG 3.26Å; K115-M119 PolarHBondContact O-N 3.02Å; E116-M119 PolarHBondContact O-N 2.9Å; E116-M119 VanDerWaalsContact O-N 3.15Å; M119-I122 PolarHBondContact O-N 3.43Å; M119-L123 WeakPolarHBondContact O-CB 3.2Å; M119-L123 PolarHBondContact O-N 2.85Å
120	Y	52	Low	51	Low	38 Å²	38	94 Å²	94	15%	0.149	47%	0.471	C	S	.	.	H	α-helix	trans	-63.6	-42.7	175.2	-77.5	-59.9	0	0	0	111.9	F100 L103 L112 E116 I117 I118 L123 V124	F100-Y120 HydrophobicContact CE1-CD1 4.41Å; F100-Y120 HydrophobicContact CZ-CD1 4.33Å; L103-Y120 HydrophobicContact CD1-CE1 4.34Å; L112-Y120 HydrophobicContact CD2-CD2 4.22Å; L112-Y120 HydrophobicContact CD2-CE2 4.03Å; E116-Y120 HydrophobicContact CB-CD2 4.43Å; E116-Y120 HydrophobicContact CB-CE2 4.24Å; E116-Y120 WeakPolarHBondContact O-CD2 3.19Å; E116-Y120 PolarHBondContact O-N 3.28Å; I117-Y120 PolarHBondContact O-N 3.44Å; I118-Y120 VanDerWaalsContact C-N 3.32Å; I118-Y120 PolarHBondContact O-N 3.42Å; Y120-L123 PolarHBondContact O-N 3.22Å; Y120-V124 WeakPolarHBondContact O-CG2 3.18Å; Y120-V124 PolarHBondContact O-N 2.9Å
121	N	50.3	Low	51.1	Low	97 Å²	97	91.8 Å²	91.8	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.4	-81.7	-78.7	0	0	0	112	I117 I118 L123 V124 V125	I117-N121 PolarHBondContact O-N 3.27Å; I117-N121 PolarHBondContact O-ND2 3.44Å; I118-N121 PolarHBondContact O-N 2.93Å; N121-L123 VanDerWaalsContact C-N 3.31Å; N121-L123 PolarHBondContact O-N 3.47Å; N121-V124 PolarHBondContact O-N 2.82Å; N121-V125 WeakPolarHBondContact O-CG2 3.21Å; N121-V125 PolarHBondContact O-N 3.07Å
122	I	51.3	Low	51	Low	89 Å²	89	86.7 Å²	86.7	46%	0.456	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-44.3	174.5	-67.9	168.3	0	0	0	110.2	I118 M119 V124 V125 V126	I118-I122 HydrophobicContact CG2-CD1 3.72Å; I118-I122 HydrophobicContact CG2-CG1 4.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.35Å; I118-I122 PolarHBondContact O-N 2.9Å; M119-I122 PolarHBondContact O-N 3.43Å; I122-V124 PolarHBondContact O-N 3.5Å; I122-V125 PolarHBondContact O-N 2.94Å; I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CG2 3.35Å; I122-V126 PolarHBondContact O-N 2.78Å
123	L	53.7	Low	50.8	Low	79 Å²	79	87.3 Å²	87.3	41%	0.414	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-42.5	179.2	-172.3	67.2	0	0	0	111.9	M119 Y120 N121 V125 V126 C127	M119-L123 WeakPolarHBondContact O-CB 3.2Å; M119-L123 PolarHBondContact O-N 2.85Å; Y120-L123 PolarHBondContact O-N 3.22Å; N121-L123 VanDerWaalsContact C-N 3.31Å; N121-L123 PolarHBondContact O-N 3.47Å; L123-V125 PolarHBondContact O-N 2.97Å; L123-V126 PolarHBondContact O-N 3.02Å; L123-C127 WeakPolarHBondContact O-CB 3.2Å; L123-C127 PolarHBondContact O-N 3.14Å; L123-C127 PolarHBondContact O-SG 3.27Å; L123-C127 VanDerWaalsContact O-SG 3.34Å
124	V	52.2	Low	50.4	Low	45 Å²	45	84.6 Å²	84.6	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-47	174.1	174.4	0	0	0	0	110.8	F100 Y120 N121 I122 V126 C127 V128	F100-V124 HydrophobicContact CD1-CG2 3.89Å; F100-V124 HydrophobicContact CD2-CG2 4.26Å; F100-V124 HydrophobicContact CE1-CG2 3.2Å; F100-V124 HydrophobicContact CE2-CG2 3.7Å; F100-V124 HydrophobicContact CG-CG2 4.38Å; F100-V124 HydrophobicContact CZ-CG2 3.12Å; Y120-V124 WeakPolarHBondContact O-CG2 3.18Å; Y120-V124 PolarHBondContact O-N 2.9Å; N121-V124 PolarHBondContact O-N 2.82Å; I122-V124 PolarHBondContact O-N 3.5Å; V124-V126 VanDerWaalsContact C-N 3.31Å; V124-V126 PolarHBondContact O-N 3.01Å; V124-C127 PolarHBondContact O-N 3.5Å; V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.18Å; V124-V128 VanDerWaalsContact O-CG2 3.3Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 2.85Å
125	V	49	Very low	50.1	Low	97 Å²	97	84.8 Å²	84.8	59%	0.588	43%	0.428	S	S	*	.	H	α-helix	trans	-59.9	-43.6	178.6	172.2	0	0	0	0	110.6	N121 I122 L123 V128 H129	N121-V125 WeakPolarHBondContact O-CG2 3.21Å; N121-V125 PolarHBondContact O-N 3.07Å; I122-V125 PolarHBondContact O-N 2.94Å; L123-V125 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 2.95Å; V125-H129 WeakPolarHBondContact O-CB 3.3Å; V125-H129 PolarHBondContact O-N 2.87Å
126	V	49.6	Very low	49.7	Very low	71 Å²	71	82.1 Å²	82.1	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-45	176.4	172	0	0	0	0	111.3	I122 L123 V124 H129 L130	I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CG2 3.35Å; I122-V126 PolarHBondContact O-N 2.78Å; L123-V126 PolarHBondContact O-N 3.02Å; V124-V126 VanDerWaalsContact C-N 3.31Å; V124-V126 PolarHBondContact O-N 3.01Å; V126-H129 PolarHBondContact O-N 2.9Å; V126-L130 HydrophobicContact CG1-CD1 3.91Å; V126-L130 HydrophobicContact CG1-CG 4.45Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 2.9Å
127	C	52.5	Low	49.3	Very low	40 Å²	40	82.5 Å²	82.5	27%	0.27	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-45.4	177.4	-72.3	0	0	0	0	112	F96 L123 V124 L130 V131	F96-C127 HydrophobicContact CE1-CB 4.3Å; L123-C127 WeakPolarHBondContact O-CB 3.2Å; L123-C127 PolarHBondContact O-N 3.14Å; L123-C127 PolarHBondContact O-SG 3.27Å; L123-C127 VanDerWaalsContact O-SG 3.34Å; V124-C127 PolarHBondContact O-N 3.5Å; C127-L130 PolarHBondContact O-N 2.96Å; C127-V131 VanDerWaalsContact O-CG2 3.3Å; C127-V131 WeakPolarHBondContact O-CG2 3.31Å; C127-V131 PolarHBondContact O-N 2.81Å
128	V	49.5	Very low	48.9	Very low	72 Å²	72	83.5 Å²	83.5	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.9	171.2	0	0	0	0	110.6	V124 V125 L130 V131 Q132	V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.18Å; V124-V128 VanDerWaalsContact O-CG2 3.3Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 2.85Å; V125-V128 PolarHBondContact O-N 2.95Å; V128-L130 PolarHBondContact O-N 3.26Å; V128-V131 PolarHBondContact O-N 3.36Å; V128-Q132 HydrophobicContact CG1-CG 4.43Å; V128-Q132 WeakPolarHBondContact O-CB 3.49Å; V128-Q132 WeakPolarHBondContact O-CG 3.46Å; V128-Q132 PolarHBondContact O-N 2.85Å
129	H	47.7	Very low	48.4	Very low	108 Å²	108	84.1 Å²	84.1	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-40.7	178.2	-164.5	-82.7	0	0	0	111.5	V125 V126 Q132 I133	V125-H129 WeakPolarHBondContact O-CB 3.3Å; V125-H129 PolarHBondContact O-N 2.87Å; V126-H129 PolarHBondContact O-N 2.9Å; H129-Q132 PolarHBondContact O-N 3.5Å; H129-I133 WeakPolarHBondContact ND1-CD1 3.3Å; H129-I133 WeakPolarHBondContact O-CB 3.47Å; H129-I133 VanDerWaalsContact O-CG1 3.25Å; H129-I133 WeakPolarHBondContact O-CG1 3.39Å; H129-I133 PolarHBondContact O-N 2.84Å
130	L	51.2	Low	47.7	Very low	82 Å²	82	88.7 Å²	88.7	43%	0.429	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-46.8	172.7	-79.1	167.1	0	0	0	111.3	V126 C127 V128 Q132 I133 I134	V126-L130 HydrophobicContact CG1-CD1 3.91Å; V126-L130 HydrophobicContact CG1-CG 4.45Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 2.9Å; C127-L130 PolarHBondContact O-N 2.96Å; V128-L130 PolarHBondContact O-N 3.26Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.35Å; L130-I133 PolarHBondContact O-N 3.43Å; L130-I134 WeakPolarHBondContact O-CB 3.47Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 2.92Å
131	V	51.4	Low	47.1	Very low	72 Å²	72	89 Å²	89	44%	0.436	46%	0.461	S	S	.	.	H	α-helix	trans	-61	-40.3	176.6	171.1	0	0	0	0	111.2	C127 V128 I134 R135	C127-V131 VanDerWaalsContact O-CG2 3.3Å; C127-V131 WeakPolarHBondContact O-CG2 3.31Å; C127-V131 PolarHBondContact O-N 2.81Å; V128-V131 PolarHBondContact O-N 3.36Å; V131-I134 PolarHBondContact O-N 2.91Å; V131-R135 WeakPolarHBondContact O-CB 3.13Å; V131-R135 WeakPolarHBondContact O-CG 3.38Å; V131-R135 PolarHBondContact O-N 2.82Å
132	Q	46.4	Very low	46.6	Very low	101 Å²	101	88.8 Å²	88.8	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-67.1	-44.1	176.9	-75	176.9	-11.7	0	0	112.5	V128 H129 L130 I134 R135 N136	V128-Q132 HydrophobicContact CG1-CG 4.43Å; V128-Q132 WeakPolarHBondContact O-CB 3.49Å; V128-Q132 WeakPolarHBondContact O-CG 3.46Å; V128-Q132 PolarHBondContact O-N 2.85Å; H129-Q132 PolarHBondContact O-N 3.5Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.35Å; Q132-I134 VanDerWaalsContact C-N 3.29Å; Q132-I134 PolarHBondContact O-N 2.64Å; Q132-R135 PolarHBondContact O-N 3.4Å; Q132-N136 WeakPolarHBondContact O-CB 3.47Å; Q132-N136 VanDerWaalsContact O-CG 3.28Å; Q132-N136 PolarHBondContact O-N 3.22Å
133	I	47.5	Very low	45.9	Very low	54 Å²	54	90.8 Å²	90.8	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-55.8	-49.3	172.5	-72	166.4	0	0	0	109.3	H129 L130 R135 N136 I137	H129-I133 WeakPolarHBondContact ND1-CD1 3.3Å; H129-I133 WeakPolarHBondContact O-CB 3.47Å; H129-I133 VanDerWaalsContact O-CG1 3.25Å; H129-I133 WeakPolarHBondContact O-CG1 3.39Å; H129-I133 PolarHBondContact O-N 2.84Å; L130-I133 PolarHBondContact O-N 3.43Å; I133-R135 PolarHBondContact O-N 2.84Å; I133-N136 PolarHBondContact O-N 2.87Å; I133-I137 HydrophobicContact CG2-CD1 3.45Å; I133-I137 VanDerWaalsContact CG2-CD1 3.45Å; I133-I137 HydrophobicContact CG2-CG1 4.21Å; I133-I137 WeakPolarHBondContact O-CB 3.25Å; I133-I137 VanDerWaalsContact O-CG1 3.22Å; I133-I137 WeakPolarHBondContact O-CG1 3.22Å; I133-I137 PolarHBondContact O-N 3.49Å
134	I	48.7	Very low	45.3	Very low	60 Å²	60	91 Å²	91	31%	0.308	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-42.3	180	-65.5	168.4	0	0	0	110.9	L130 V131 Q132 H138 W170	L130-I134 WeakPolarHBondContact O-CB 3.47Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 2.92Å; V131-I134 PolarHBondContact O-N 2.91Å; Q132-I134 VanDerWaalsContact C-N 3.29Å; Q132-I134 PolarHBondContact O-N 2.64Å; I134-H138 VanDerWaalsContact O-CB 3.22Å; I134-H138 WeakPolarHBondContact O-CB 3.48Å; I134-H138 PolarHBondContact O-N 2.98Å; I134-W170 HydrophobicContact CD1-CH2 4.15Å; I134-W170 HydrophobicContact CG1-CH2 3.9Å; I134-W170 HydrophobicContact CG1-CZ3 4.37Å; I134-W170 HydrophobicContact CG2-CH2 4.28Å
135	R	44.1	Very low	44.4	Very low	185 Å²	185	93.9 Å²	93.9	70%	0.698	49%	0.493	S	S	*	.	H	α-helix	trans	-61.4	-46	175.3	-78.7	-179.6	79.5	170.7	4.1	111.9	V131 Q132 I133 H138 A139	V131-R135 WeakPolarHBondContact O-CB 3.13Å; V131-R135 WeakPolarHBondContact O-CG 3.38Å; V131-R135 PolarHBondContact O-N 2.82Å; Q132-R135 PolarHBondContact O-N 3.4Å; I133-R135 PolarHBondContact O-N 2.84Å; R135-H138 PolarHBondContact O-N 3.22Å; R135-A139 WeakPolarHBondContact O-CB 3.47Å; R135-A139 PolarHBondContact O-N 2.98Å
136	N	41.1	Very low	43.8	Very low	105 Å²	105	93.9 Å²	93.9	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-68.3	-38.3	-178.2	-71.6	-13.7	0	0	0	112	Q132 I133 R140	Q132-N136 WeakPolarHBondContact O-CB 3.47Å; Q132-N136 VanDerWaalsContact O-CG 3.28Å; Q132-N136 PolarHBondContact O-N 3.22Å; I133-N136 PolarHBondContact O-N 2.87Å; N136-R140 WeakPolarHBondContact O-CB 3.14Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.33Å; N136-R140 VanDerWaalsContact O-N 3.17Å
137	I	44.2	Very low	42.9	Very low	63 Å²	63	95.2 Å²	95.2	32%	0.323	49%	0.493	S	S	.	.	H	α-helix	trans	-68.7	-40.8	175.2	-68	174.2	0	0	0	110.5	I133 R140 S141 T173	I133-I137 HydrophobicContact CG2-CD1 3.45Å; I133-I137 VanDerWaalsContact CG2-CD1 3.45Å; I133-I137 HydrophobicContact CG2-CG1 4.21Å; I133-I137 WeakPolarHBondContact O-CB 3.25Å; I133-I137 VanDerWaalsContact O-CG1 3.22Å; I133-I137 WeakPolarHBondContact O-CG1 3.22Å; I133-I137 PolarHBondContact O-N 3.49Å; I137-R140 PolarHBondContact O-N 3.39Å; I137-S141 PolarHBondContact O-N 2.94Å; I137-T173 HydrophobicContact CD1-CG2 3.94Å
138	H	42.9	Very low	41.9	Very low	98 Å²	98	96.4 Å²	96.4	45%	0.454	50%	0.502	S	S	.	.	H	α-helix	trans	-67.3	-37.9	179.2	-160.6	53.1	0	0	0	112.3	I134 R135 R140	I134-H138 VanDerWaalsContact O-CB 3.22Å; I134-H138 WeakPolarHBondContact O-CB 3.48Å; I134-H138 PolarHBondContact O-N 2.98Å; R135-H138 PolarHBondContact O-N 3.22Å; H138-R140 VanDerWaalsContact C-N 3.34Å
139	A	40.4	Very low	41.2	Very low	81 Å²	81	97.4 Å²	97.4	67%	0.669	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-31.4	175.1	0	0	0	0	0	113.2	R135	R135-A139 WeakPolarHBondContact O-CB 3.47Å; R135-A139 PolarHBondContact O-N 2.98Å
140	R	36.8	Very low	40.4	Very low	226 Å²	226	96.5 Å²	96.5	85%	0.853	51%	0.51	S	S	*	.	H	α-helix	trans	-88.9	-11.6	-179.7	-75.9	-177.2	173.9	-179	-1.3	114.6	N136 I137 H138	N136-R140 WeakPolarHBondContact O-CB 3.14Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.33Å; N136-R140 VanDerWaalsContact O-N 3.17Å; I137-R140 PolarHBondContact O-N 3.39Å; H138-R140 VanDerWaalsContact C-N 3.34Å
141	S	38.8	Very low	39.4	Very low	44 Å²	44	102.6 Å²	102.6	31%	0.308	53%	0.528	S	S	.	.			trans	-133.5	68.5	176.9	-166.4	0	0	0	0	111.1	I137 N143	I137-S141 PolarHBondContact O-N 2.94Å; S141-N143 PolarHBondContact O-N 2.97Å
142	P	40.6	Very low	38.7	Very low	93 Å²	93	106.4 Å²	106.4	60%	0.604	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.9	171.5	26.8	-32.8	0	0	0	111.7
143	N	36.4	Very low	38.1	Very low	130 Å²	130	107.8 Å²	107.8	70%	0.695	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-1	-170	-68.4	-10.3	0	0	0	115.1	S141 T145	S141-N143 PolarHBondContact O-N 2.97Å; N143-T145 HydrophobicContact CB-CG2 4.15Å; N143-T145 PolarHBondContact O-N 3.42Å
144	H	41.1	Very low	37.2	Very low	84 Å²	84	108.1 Å²	108.1	39%	0.389	56%	0.562	S	S	.	*			trans	39.8	38.5	177.1	-70.3	-41.6	0	0	0	114.4	I146 K171	H144-I146 PolarHBondContact O-N 3.45Å; H144-K171 PolarHBondContact CE1-NZ 3.26Å; H144-K171 PolarHBondContact NE2-NZ 2.95Å
145	T	32.3	Very low	36.2	Very low	105 Å²	105	113.2 Å²	113.2	64%	0.644	59%	0.59	S	S	*	*			trans	-73.8	107.3	-176.1	43.6	0	0	0	0	109	N143 L147	N143-T145 HydrophobicContact CB-CG2 4.15Å; N143-T145 PolarHBondContact O-N 3.42Å; T145-L147 PolarHBondContact O-N 2.84Å
146	I	36.1	Very low	35.6	Very low	97 Å²	97	112.6 Å²	112.6	50%	0.497	60%	0.595	S	S	.	*			trans	-50.5	114.1	176.4	-69.8	148.6	0	0	0	110.5	F68 H144	F68-I146 HydrophobicContact CD1-CD1 3.77Å; F68-I146 HydrophobicContact CD1-CG1 4.5Å; F68-I146 HydrophobicContact CD1-CG2 4.28Å; F68-I146 HydrophobicContact CE1-CB 4.25Å; F68-I146 HydrophobicContact CE1-CD1 3.63Å; F68-I146 HydrophobicContact CE1-CG1 3.87Å; F68-I146 HydrophobicContact CE1-CG2 3.42Å; F68-I146 VanDerWaalsContact CE1-CG2 3.42Å; F68-I146 HydrophobicContact CZ-CG2 4.17Å; H144-I146 PolarHBondContact O-N 3.45Å
147	L	31.7	Very low	35.3	Very low	99 Å²	99	115.9 Å²	115.9	52%	0.518	61%	0.612	S	S	.	*			trans	-79.6	123.6	154.5	-104	100	0	0	0	108	T145 Y152 H172	T145-L147 PolarHBondContact O-N 2.84Å; L147-Y152 HydrophobicContact CD2-CE2 3.96Å; L147-H172 PolarHBondContact O-CE1 2.76Å; L147-H172 VanDerWaalsContact O-CE1 3.3Å; L147-H172 PolarHBondContact O-ND1 2.91Å
148	S	31.1	Very low	34.8	Very low	66 Å²	66	119.7 Å²	119.7	46%	0.462	63%	0.628	S	S	.	*			trans	-58.3	134.9	179.4	60.4	0	0	0	0	111.5	S150 R151	S148-S150 PolarHBondContact O-N 3.46Å; S148-S150 PolarHBondContact OG-OG 3.47Å; S148-R151 PolarHBondContact O-N 3.27Å
149	N	34.1	Very low	34.5	Very low	92 Å²	92	125 Å²	125	49%	0.492	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.7	-3.4	177.5	-90	-14.8	0	0	0	115.1
150	S	31.5	Very low	34.3	Very low	90 Å²	90	128 Å²	128	63%	0.629	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-12.9	-175.8	61.9	0	0	0	0	115	S148	S148-S150 PolarHBondContact O-N 3.46Å; S148-S150 PolarHBondContact OG-OG 3.47Å
151	R	31.1	Very low	34.1	Very low	209 Å²	209	119.9 Å²	119.9	79%	0.789	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-16.8	-176.3	-84.2	-173.8	-176.6	174.7	2.1	115.9	S148	S148-R151 PolarHBondContact O-N 3.27Å
152	Y	35.3	Very low	34	Very low	153 Å²	153	120 Å²	120	60%	0.6	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-17.1	178.8	-80.3	-80.7	0	0	0	114.2	L147 G154 V193	L147-Y152 HydrophobicContact CD2-CE2 3.96Å; Y152-G154 PolarHBondContact O-N 2.87Å; Y152-V193 HydrophobicContact CD1-CG1 4.02Å; Y152-V193 HydrophobicContact CE1-CG1 3.86Å; Y152-V193 HydrophobicContact CE2-CG1 4.36Å; Y152-V193 HydrophobicContact CG-CG1 4.34Å
153	L	33.9	Very low	34	Very low	129 Å²	129	122.9 Å²	122.9	68%	0.675	65%	0.645	S	S	*	*	S	Bend	trans	-77.3	76.5	156.2	-84.6	144.2	0	0	0	106.7	N155	L153-N155 PolarHBondContact O-N 2.84Å
154	G	29.6	Very low	34.2	Very low	61 Å²	61	120.2 Å²	120.2	63%	0.629	63%	0.631	S	S	*	*			trans	-48.8	116.6	164.9	0	0	0	0	0	107.4	Y152 E156	Y152-G154 PolarHBondContact O-N 2.87Å; G154-E156 VanDerWaalsContact C-N 3.3Å; G154-E156 PolarHBondContact O-N 3.07Å
155	N	27.1	Very low	34.1	Very low	167 Å²	167	119.2 Å²	119.2	89%	0.893	63%	0.631	S	S	*	*	S	Bend	trans	-43.7	95.4	169.4	-85.8	-24.8	0	0	0	109.3	L153	L153-N155 PolarHBondContact O-N 2.84Å
156	E	32.3	Very low	34.8	Very low	173 Å²	173	118.9 Å²	118.9	81%	0.808	63%	0.628	S	S	*	*			trans	-164.9	96.2	133.4	-72.1	-145.2	152.8	0	0	105.8	G154 E158	G154-E156 VanDerWaalsContact C-N 3.3Å; G154-E156 PolarHBondContact O-N 3.07Å; E156-E158 PolarHBondContact O-N 2.84Å
157	L	33.9	Very low	34.8	Very low	174 Å²	174	120.3 Å²	120.3	91%	0.911	63%	0.631	S	S	*	*			trans	-55.5	98.4	152.2	-102.3	143.4	0	0	0	105.1	K159	L157-K159 PolarHBondContact O-N 3.43Å
158	E	34.8	Very low	35	Very low	142 Å²	142	117 Å²	117	66%	0.664	62%	0.62	S	S	*	*			trans	-47.7	117.9	174.8	-87.6	-175.7	156.6	0	0	107.5	E156 N160	E156-E158 PolarHBondContact O-N 2.84Å; E158-N160 PolarHBondContact O-N 3.39Å
159	K	35.3	Very low	35.4	Very low	210 Å²	210	118.6 Å²	118.6	91%	0.913	62%	0.623	S	S	*	*	S	Bend	trans	-57.7	4.9	-179.8	-81.8	176.3	172.8	172.7	0	114.4	L157	L157-K159 PolarHBondContact O-N 3.43Å
160	N	35.9	Very low	35.7	Very low	143 Å²	143	120.2 Å²	120.2	77%	0.765	62%	0.622	S	S	*	*	S	Bend	trans	-118.1	74.6	177.5	-78.8	-18.1	0	0	0	111.5	E158 S162	E158-N160 PolarHBondContact O-N 3.39Å; N160-S162 VanDerWaalsContact C-N 3.28Å; N160-S162 PolarHBondContact O-N 2.91Å
161	G	34	Very low	36.5	Very low	57 Å²	57	121.6 Å²	121.6	59%	0.588	62%	0.617	S	S	*	*			trans	64.9	-12.3	134.7	0	0	0	0	0	121.3	K163 N181	G161-K163 PolarHBondContact O-N 2.87Å; G161-K163 VanDerWaalsContact O-N 3.1Å; G161-N181 PolarHBondContact O-ND2 3.24Å
162	S	36.1	Very low	37.2	Very low	45 Å²	45	115.3 Å²	115.3	32%	0.315	60%	0.596	S	S	.	*			trans	-73	105.2	-177.3	62.5	0	0	0	0	111.5	N160 L164 N181	N160-S162 VanDerWaalsContact C-N 3.28Å; N160-S162 PolarHBondContact O-N 2.91Å; S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.34Å; S162-N181 WeakPolarHBondContact CA-ND2 3.23Å
163	K	39.5	Very low	37.3	Very low	154 Å²	154	108.6 Å²	108.6	67%	0.67	57%	0.572	S	S	*	*			trans	-69.3	85.4	171.1	-84.9	179.6	179.8	175.9	0	108.8	G161 T165 T180	G161-K163 PolarHBondContact O-N 2.87Å; G161-K163 VanDerWaalsContact O-N 3.1Å; K163-T165 PolarHBondContact O-N 3.25Å; K163-T180 WeakPolarHBondContact CB-OG1 3.32Å; K163-T180 PolarHBondContact O-N 3.42Å; K163-T180 PolarHBondContact O-OG1 3.48Å
164	L	40.8	Very low	37.5	Very low	75 Å²	75	103.9 Å²	103.9	39%	0.393	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112.4	168.5	-71.2	163.5	0	0	0	108.5	S162 F177 R178 D179	S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.34Å; L164-F177 HydrophobicContact CB-CD1 4.35Å; L164-F177 HydrophobicContact CD2-CB 3.95Å; L164-R178 WeakPolarHBondContact CA-O 3.38Å; L164-D179 HydrophobicContact CD2-CB 4.07Å
165	T	40.8	Very low	38	Very low	63 Å²	63	102 Å²	102	39%	0.387	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.6	174.3	44.3	0	0	0	0	109.3	K163 F167 R178 T180	K163-T165 PolarHBondContact O-N 3.25Å; T165-F167 PolarHBondContact O-N 2.84Å; T165-R178 PolarHBondContact N-O 3.41Å; T165-R178 PolarHBondContact O-N 2.96Å; T165-R178 WeakPolarHBondContact OG1-CB 3.42Å; T165-R178 PolarHBondContact OG1-O 3.03Å; T165-T180 HydrophobicContact CG2-CG2 4.44Å
166	V	45	Very low	38.5	Very low	98 Å²	98	96.5 Å²	96.5	59%	0.594	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.3	174.4	-179.5	0	0	0	0	107.8	F177	V166-F177 HydrophobicContact CG2-CD1 4.28Å; V166-F177 HydrophobicContact CG2-CE1 4.13Å
167	F	36.8	Very low	39.1	Very low	127 Å²	127	90.1 Å²	90.1	56%	0.557	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-20.8	-177.9	-161.8	-97.7	0	0	0	112.3	T165 I176	T165-F167 PolarHBondContact O-N 2.84Å; F167-I176 HydrophobicContact CB-CB 4.41Å; F167-I176 HydrophobicContact CB-CG2 4.15Å; F167-I176 PolarHBondContact N-O 3.29Å
168	G	37.1	Very low	39.4	Very low	28 Å²	28	86.4 Å²	86.4	29%	0.289	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	141.6	176.3	0	0	0	0	0	112.4	I176	G168-I176 PolarHBondContact O-N 2.71Å
169	L	38.6	Very low	40	Very low	100 Å²	100	81 Å²	81	52%	0.524	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125	173.5	-170.1	83.8	0	0	0	108.1	C175	L169-C175 VanDerWaalsContact CD1-SG 3.52Å
170	W	40.8	Very low	40.8	Very low	127 Å²	127	74.1 Å²	74.1	48%	0.481	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.1	173.2	-172.4	59.7	0	0	0	111.2	I134 H172 T173 V174	I134-W170 HydrophobicContact CD1-CH2 4.15Å; I134-W170 HydrophobicContact CG1-CH2 3.9Å; I134-W170 HydrophobicContact CG1-CZ3 4.37Å; I134-W170 HydrophobicContact CG2-CH2 4.28Å; W170-H172 PolarHBondContact O-N 3.4Å; W170-T173 PolarHBondContact O-N 3.31Å; W170-V174 HydrophobicContact CB-CB 4.31Å; W170-V174 HydrophobicContact CE3-CG2 4.12Å; W170-V174 PolarHBondContact N-O 3.38Å; W170-V174 PolarHBondContact O-N 3.49Å
171	K	47.3	Very low	41.4	Very low	119 Å²	119	71.6 Å²	71.6	52%	0.517	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	18.3	59.7	168.8	-77	-167	171.8	-172.6	0	114.8	H144 T173	H144-K171 PolarHBondContact CE1-NZ 3.26Å; H144-K171 PolarHBondContact NE2-NZ 2.95Å; K171-T173 PolarHBondContact O-N 2.86Å; K171-T173 VanDerWaalsContact O-N 3.07Å; K171-T173 PolarHBondContact O-OG1 2.85Å
172	H	45.7	Very low	42.1	Very low	76 Å²	76	72.4 Å²	72.4	35%	0.352	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	10.6	177.8	-49.6	-76	0	0	0	116.9	L147 W170 V193	L147-H172 PolarHBondContact O-CE1 2.76Å; L147-H172 VanDerWaalsContact O-CE1 3.3Å; L147-H172 PolarHBondContact O-ND1 2.91Å; W170-H172 PolarHBondContact O-N 3.4Å; H172-V193 WeakPolarHBondContact O-CB 3.22Å
173	T	38.9	Very low	42.4	Very low	13 Å²	13	76 Å²	76	8%	0.08	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-28.9	-170.3	5.5	0	0	0	0	113.8	I137 W170 K171 L192 V193	I137-T173 HydrophobicContact CD1-CG2 3.94Å; W170-T173 PolarHBondContact O-N 3.31Å; K171-T173 PolarHBondContact O-N 2.86Å; K171-T173 VanDerWaalsContact O-N 3.07Å; K171-T173 PolarHBondContact O-OG1 2.85Å; T173-L192 CarbonylContact O-C 3.5Å; T173-L192 WeakPolarHBondContact O-CA 3.4Å; T173-V193 PolarHBondContact O-N 3.24Å
174	V	36.3	Very low	42.4	Very low	30 Å²	30	76 Å²	76	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.2	-177.2	-175.8	0	0	0	0	110.7	W170 I176 I190 I191 L192	W170-V174 HydrophobicContact CB-CB 4.31Å; W170-V174 HydrophobicContact CE3-CG2 4.12Å; W170-V174 PolarHBondContact N-O 3.38Å; W170-V174 PolarHBondContact O-N 3.49Å; V174-I176 HydrophobicContact CG1-CG1 4.21Å; V174-I190 HydrophobicContact CG1-CG2 3.72Å; V174-I191 CarbonylContact C-O 3.58Å; V174-I191 WeakPolarHBondContact CA-O 3.47Å; V174-L192 HydrophobicContact CG2-CD2 3.65Å; V174-L192 HydrophobicContact CG2-CG 4.2Å
175	C	41.5	Very low	42.4	Very low	22 Å²	22	73.4 Å²	73.4	15%	0.149	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	171.2	-58.1	0	0	0	0	109.2	L169 F177 I190 I191	L169-C175 VanDerWaalsContact CD1-SG 3.52Å; C175-F177 HydrophobicContact CB-CD2 4.27Å; C175-F177 HydrophobicContact CB-CE2 3.39Å; C175-F177 HydrophobicContact CB-CZ 3.76Å; C175-I190 WeakPolarHBondContact O-CA 3.5Å; C175-I191 HydrophobicContact CB-CB 4.27Å; C175-I191 PolarHBondContact N-O 3.17Å; C175-I191 PolarHBondContact O-N 2.9Å
176	I	38.2	Very low	42.4	Very low	50 Å²	50	73.8 Å²	73.8	26%	0.256	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.9	174.5	-54.6	176.5	0	0	0	108.5	F167 G168 V174 Y188 R189 I190	F167-I176 HydrophobicContact CB-CB 4.41Å; F167-I176 HydrophobicContact CB-CG2 4.15Å; F167-I176 PolarHBondContact N-O 3.29Å; G168-I176 PolarHBondContact O-N 2.71Å; V174-I176 HydrophobicContact CG1-CG1 4.21Å; I176-Y188 HydrophobicContact CG2-CD1 4.19Å; I176-R189 CarbonylContact C-O 3.54Å; I176-R189 WeakPolarHBondContact CA-O 3.39Å; I176-I190 HydrophobicContact CG1-CG1 4.42Å
177	F	44	Very low	41.9	Very low	39 Å²	39	69.4 Å²	69.4	17%	0.171	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	174.8	-56.2	-92.4	0	0	0	109.5	L164 V166 C175 Y188 R189 I191	L164-F177 HydrophobicContact CB-CD1 4.35Å; L164-F177 HydrophobicContact CD2-CB 3.95Å; V166-F177 HydrophobicContact CG2-CD1 4.28Å; V166-F177 HydrophobicContact CG2-CE1 4.13Å; C175-F177 HydrophobicContact CB-CD2 4.27Å; C175-F177 HydrophobicContact CB-CE2 3.39Å; C175-F177 HydrophobicContact CB-CZ 3.76Å; F177-Y188 CarbonylContact O-C 3.58Å; F177-Y188 WeakPolarHBondContact O-CA 3.44Å; F177-R189 HydrophobicContact CB-CB 3.93Å; F177-R189 HydrophobicContact CD2-CB 4.25Å; F177-R189 PolarHBondContact N-O 3.37Å; F177-R189 PolarHBondContact O-N 3.31Å; F177-I191 HydrophobicContact CD2-CD1 3.98Å; F177-I191 HydrophobicContact CD2-CG1 4Å; F177-I191 HydrophobicContact CE2-CB 4.14Å; F177-I191 HydrophobicContact CE2-CD1 3.35Å; F177-I191 HydrophobicContact CE2-CG1 3.63Å; F177-I191 HydrophobicContact CZ-CD1 4.1Å
178	R	39.5	Very low	41.9	Very low	96 Å²	96	66.4 Å²	66.4	36%	0.362	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.9	168	175.3	-174.6	-175.9	-176.2	3	108.2	L164 T165 T180 I186 Y188	L164-R178 WeakPolarHBondContact CA-O 3.38Å; T165-R178 PolarHBondContact N-O 3.41Å; T165-R178 PolarHBondContact O-N 2.96Å; T165-R178 WeakPolarHBondContact OG1-CB 3.42Å; T165-R178 PolarHBondContact OG1-O 3.03Å; R178-T180 HydrophobicContact CG-CG2 4.33Å; R178-I186 HydrophobicContact CG-CG2 4.43Å; R178-Y188 HydrophobicContact CB-CE1 4.45Å
179	D	48.2	Very low	41.9	Very low	29 Å²	29	70.9 Å²	70.9	16%	0.155	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	169.3	-170.7	-1.9	0	0	0	108.6	L164 N181 Q182 C187	L164-D179 HydrophobicContact CD2-CB 4.07Å; D179-N181 PolarHBondContact OD1-N 2.83Å; D179-Q182 PolarHBondContact OD2-NE2 3.13Å; D179-C187 HydrophobicContact CB-CB 3.95Å; D179-C187 PolarHBondContact N-O 3.47Å
180	T	51.8	Low	42	Very low	66 Å²	66	68.2 Å²	68.2	41%	0.405	34%	0.34	S	S	.	.			trans	-103.1	1.1	-179.4	55.9	0	0	0	0	113.2	K163 T165 R178	K163-T180 WeakPolarHBondContact CB-OG1 3.32Å; K163-T180 PolarHBondContact O-N 3.42Å; K163-T180 PolarHBondContact O-OG1 3.48Å; T165-T180 HydrophobicContact CG2-CG2 4.44Å; R178-T180 HydrophobicContact CG-CG2 4.33Å
181	N	47.8	Very low	42	Very low	89 Å²	89	63.8 Å²	63.8	48%	0.476	33%	0.325	S	S	.	.			trans	-98	-5.9	-175.2	-89.1	22.5	0	0	0	115.6	G161 S162 D179 S183	G161-N181 PolarHBondContact O-ND2 3.24Å; S162-N181 WeakPolarHBondContact CA-ND2 3.23Å; D179-N181 PolarHBondContact OD1-N 2.83Å; N181-S183 PolarHBondContact O-N 3.34Å
182	Q	49.1	Very low	41.5	Very low	74 Å²	74	60 Å²	60	35%	0.346	31%	0.31	S	S	.	.			trans	-84.6	104.8	178.1	-74.3	175.5	39.9	0	0	109.9	D179 L184 G185	D179-Q182 PolarHBondContact OD2-NE2 3.13Å; Q182-L184 PolarHBondContact O-N 3.3Å; Q182-G185 WeakPolarHBondContact CB-O 3.21Å; Q182-G185 PolarHBondContact O-N 3.3Å
183	S	42.4	Very low	41.3	Very low	120 Å²	120	57.7 Å²	57.7	84%	0.839	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	4.6	177.9	54.7	0	0	0	0	114.8	N181	N181-S183 PolarHBondContact O-N 3.34Å
184	L	40.2	Very low	41.4	Very low	156 Å²	156	59.8 Å²	59.8	82%	0.817	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	13.4	-173.1	-97.5	139.3	0	0	0	113.5	Q182	Q182-L184 PolarHBondContact O-N 3.3Å
185	G	40.8	Very low	41.1	Very low	19 Å²	19	66.2 Å²	66.2	20%	0.196	35%	0.345	C	S	.	.			trans	171.5	149.1	174.2	0	0	0	0	0	114.6	Q182 C187 F204	Q182-G185 WeakPolarHBondContact CB-O 3.21Å; Q182-G185 PolarHBondContact O-N 3.3Å; G185-C187 PolarHBondContact O-N 3.41Å; G185-F204 CarbonylContact C-O 3.55Å; G185-F204 WeakPolarHBondContact CA-O 3.03Å
186	I	39.9	Very low	40.5	Very low	72 Å²	72	72.2 Å²	72.2	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.3	172.9	-53.6	175	0	0	0	107.2	R178 Y188 F204	R178-I186 HydrophobicContact CG-CG2 4.43Å; I186-Y188 HydrophobicContact CB-CE2 4.16Å; I186-Y188 HydrophobicContact CG2-CD2 3.96Å; I186-Y188 HydrophobicContact CG2-CE1 4.31Å; I186-Y188 HydrophobicContact CG2-CE2 3.3Å; I186-F204 PolarHBondContact N-O 3.23Å; I186-F204 PolarHBondContact O-N 3.21Å; I186-F204 VanDerWaalsContact O-N 3.16Å
187	C	34.2	Very low	40.3	Very low	6 Å²	6	74.1 Å²	74.1	4%	0.041	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.4	178	-147	0	0	0	0	110.2	D179 G185 K201 F202 S203	D179-C187 HydrophobicContact CB-CB 3.95Å; D179-C187 PolarHBondContact N-O 3.47Å; G185-C187 PolarHBondContact O-N 3.41Å; C187-K201 WeakPolarHBondContact SG-CE 3.48Å; C187-K201 VanDerWaalsContact SG-CG 3.58Å; C187-F202 CarbonylContact C-O 3.56Å; C187-F202 VanDerWaalsContact CA-O 3.26Å; C187-F202 WeakPolarHBondContact CA-O 3.43Å; C187-S203 PolarHBondContact SG-OG 3.05Å
188	Y	37.5	Very low	39.7	Very low	64 Å²	64	77.9 Å²	77.9	25%	0.251	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.4	172.8	-64.1	-85.9	0	0	0	109.6	I176 F177 R178 I186 F202 F204	I176-Y188 HydrophobicContact CG2-CD1 4.19Å; F177-Y188 CarbonylContact O-C 3.58Å; F177-Y188 WeakPolarHBondContact O-CA 3.44Å; R178-Y188 HydrophobicContact CB-CE1 4.45Å; I186-Y188 HydrophobicContact CB-CE2 4.16Å; I186-Y188 HydrophobicContact CG2-CD2 3.96Å; I186-Y188 HydrophobicContact CG2-CE1 4.31Å; I186-Y188 HydrophobicContact CG2-CE2 3.3Å; Y188-F202 PolarHBondContact N-O 3.03Å; Y188-F202 PolarHBondContact O-N 2.92Å; Y188-F204 HydrophobicContact CD2-CD2 4Å; Y188-F204 AromaticContact CD2-CE2 3.79Å; Y188-F204 HydrophobicContact CD2-CE2 3.79Å; Y188-F204 HydrophobicContact CE2-CD2 4.12Å; Y188-F204 HydrophobicContact CE2-CE2 4.09Å
189	R	38	Very low	39.6	Very low	122 Å²	122	76.6 Å²	76.6	46%	0.46	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.4	171.6	-129.8	-176.5	-172.1	-174.2	1.9	108.5	I176 F177 T199 Y200	I176-R189 CarbonylContact C-O 3.54Å; I176-R189 WeakPolarHBondContact CA-O 3.39Å; F177-R189 HydrophobicContact CB-CB 3.93Å; F177-R189 HydrophobicContact CD2-CB 4.25Å; F177-R189 PolarHBondContact N-O 3.37Å; F177-R189 PolarHBondContact O-N 3.31Å; R189-T199 HydrophobicContact CG-CG2 3.79Å; R189-Y200 CarbonylContact C-O 3.58Å; R189-Y200 WeakPolarHBondContact CA-O 3.36Å
190	I	39.8	Very low	39	Very low	44 Å²	44	80.5 Å²	80.5	23%	0.226	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.3	171.9	-52.3	-176.1	0	0	0	106.8	V174 C175 I176 T199 Y200 F202	V174-I190 HydrophobicContact CG1-CG2 3.72Å; C175-I190 WeakPolarHBondContact O-CA 3.5Å; I176-I190 HydrophobicContact CG1-CG1 4.42Å; I190-T199 WeakPolarHBondContact O-CA 3.49Å; I190-Y200 PolarHBondContact N-O 3.34Å; I190-Y200 PolarHBondContact O-N 2.84Å; I190-F202 HydrophobicContact CD1-CD2 4.28Å; I190-F202 HydrophobicContact CD1-CE2 3.77Å; I190-F202 HydrophobicContact CG1-CD2 4.43Å; I190-F202 HydrophobicContact CG1-CE2 4.21Å
191	I	41.8	Very low	38.5	Very low	33 Å²	33	83.8 Å²	83.8	17%	0.169	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.4	172.5	-56.5	-171.9	0	0	0	107.5	V174 C175 F177 V193 Y198	V174-I191 CarbonylContact C-O 3.58Å; V174-I191 WeakPolarHBondContact CA-O 3.47Å; C175-I191 HydrophobicContact CB-CB 4.27Å; C175-I191 PolarHBondContact N-O 3.17Å; C175-I191 PolarHBondContact O-N 2.9Å; F177-I191 HydrophobicContact CD2-CD1 3.98Å; F177-I191 HydrophobicContact CD2-CG1 4Å; F177-I191 HydrophobicContact CE2-CB 4.14Å; F177-I191 HydrophobicContact CE2-CD1 3.35Å; F177-I191 HydrophobicContact CE2-CG1 3.63Å; F177-I191 HydrophobicContact CZ-CD1 4.1Å; I191-V193 HydrophobicContact CG2-CG2 3.89Å; I191-Y198 WeakPolarHBondContact CA-O 3.48Å
192	L	36.4	Very low	38	Very low	39 Å²	39	83.9 Å²	83.9	20%	0.204	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.9	167.5	-82.9	139	0	0	0	108.4	T173 V174 N194 Y198 Y200	T173-L192 CarbonylContact O-C 3.5Å; T173-L192 WeakPolarHBondContact O-CA 3.4Å; V174-L192 HydrophobicContact CG2-CD2 3.65Å; V174-L192 HydrophobicContact CG2-CG 4.2Å; L192-N194 PolarHBondContact O-N 2.87Å; L192-Y198 PolarHBondContact N-O 2.83Å; L192-Y198 PolarHBondContact O-N 2.97Å; L192-Y198 VanDerWaalsContact O-N 3.14Å; L192-Y200 HydrophobicContact CD1-CD2 4.06Å; L192-Y200 HydrophobicContact CD1-CE2 3.61Å
193	V	41.6	Very low	37.3	Very low	28 Å²	28	83.9 Å²	83.9	17%	0.17	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	91.7	177.4	-176.2	0	0	0	0	107.5	Y152 H172 T173 I191	Y152-V193 HydrophobicContact CD1-CG1 4.02Å; Y152-V193 HydrophobicContact CE1-CG1 3.86Å; Y152-V193 HydrophobicContact CE2-CG1 4.36Å; Y152-V193 HydrophobicContact CG-CG1 4.34Å; H172-V193 WeakPolarHBondContact O-CB 3.22Å; T173-V193 PolarHBondContact O-N 3.24Å; I191-V193 HydrophobicContact CG2-CG2 3.89Å
194	N	40.2	Very low	37	Very low	58 Å²	58	83.9 Å²	83.9	31%	0.31	42%	0.415	S	S	.	.	S	Bend	trans	-110.7	-173.1	161.8	-75.5	-20.8	0	0	0	108.1	L192 F196	L192-N194 PolarHBondContact O-N 2.87Å; N194-F196 WeakPolarHBondContact CB-O 3.44Å; N194-F196 PolarHBondContact N-O 3.25Å; N194-F196 CarbonylContact O-C 3.47Å; N194-F196 PolarHBondContact O-N 2.96Å
195	D	31.1	Very low	36.7	Very low	165 Å²	165	84.9 Å²	84.9	88%	0.882	43%	0.434	S	S	*	.	S	Bend	trans	-51.1	-14.2	162.5	-66	-38.3	0	0	0	112.6
196	F	28.9	Very low	36.5	Very low	147 Å²	147	88.2 Å²	88.2	65%	0.645	45%	0.446	S	S	*	.	S	Bend	trans	-121	130.7	167.3	-64.7	-88.1	0	0	0	110.6	N194 Y198	N194-F196 WeakPolarHBondContact CB-O 3.44Å; N194-F196 PolarHBondContact N-O 3.25Å; N194-F196 CarbonylContact O-C 3.47Å; N194-F196 PolarHBondContact O-N 2.96Å; F196-Y198 HydrophobicContact CB-CD2 4.31Å; F196-Y198 HydrophobicContact CB-CE2 3.65Å; F196-Y198 PolarHBondContact O-N 2.68Å
197	C	32.3	Very low	36.4	Very low	91 Å²	91	89 Å²	89	62%	0.615	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	109.4	175	-174.8	0	0	0	0	109.9
198	Y	31.1	Very low	36.5	Very low	117 Å²	117	93.6 Å²	93.6	46%	0.459	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.8	172.3	-64.1	-86.2	0	0	0	110.1	I191 L192 F196	I191-Y198 WeakPolarHBondContact CA-O 3.48Å; L192-Y198 PolarHBondContact N-O 2.83Å; L192-Y198 PolarHBondContact O-N 2.97Å; L192-Y198 VanDerWaalsContact O-N 3.14Å; F196-Y198 HydrophobicContact CB-CD2 4.31Å; F196-Y198 HydrophobicContact CB-CE2 3.65Å; F196-Y198 PolarHBondContact O-N 2.68Å
199	T	38.4	Very low	36.4	Very low	69 Å²	69	95.4 Å²	95.4	42%	0.423	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.2	176.4	-59.7	0	0	0	0	109.4	R189 I190	R189-T199 HydrophobicContact CG-CG2 3.79Å; I190-T199 WeakPolarHBondContact O-CA 3.49Å
200	Y	34.8	Very low	36.3	Very low	112 Å²	112	93.7 Å²	93.7	44%	0.439	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	170.2	-63.2	-90.2	0	0	0	109.4	R189 I190 L192 F202	R189-Y200 CarbonylContact C-O 3.58Å; R189-Y200 WeakPolarHBondContact CA-O 3.36Å; I190-Y200 PolarHBondContact N-O 3.34Å; I190-Y200 PolarHBondContact O-N 2.84Å; L192-Y200 HydrophobicContact CD1-CD2 4.06Å; L192-Y200 HydrophobicContact CD1-CE2 3.61Å; Y200-F202 HydrophobicContact CG-CE2 4.45Å
201	K	41.9	Very low	36.1	Very low	135 Å²	135	97 Å²	97	59%	0.587	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	174	-173.3	-179.8	-179.8	-179.1	0	108.4	C187	C187-K201 WeakPolarHBondContact SG-CE 3.48Å; C187-K201 VanDerWaalsContact SG-CG 3.58Å
202	F	36.9	Very low	35.7	Very low	91 Å²	91	101.6 Å²	101.6	40%	0.399	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.4	171.7	-61.5	-85.1	0	0	0	108.1	C187 Y188 I190 Y200 F204	C187-F202 CarbonylContact C-O 3.56Å; C187-F202 VanDerWaalsContact CA-O 3.26Å; C187-F202 WeakPolarHBondContact CA-O 3.43Å; Y188-F202 PolarHBondContact N-O 3.03Å; Y188-F202 PolarHBondContact O-N 2.92Å; I190-F202 HydrophobicContact CD1-CD2 4.28Å; I190-F202 HydrophobicContact CD1-CE2 3.77Å; I190-F202 HydrophobicContact CG1-CD2 4.43Å; I190-F202 HydrophobicContact CG1-CE2 4.21Å; Y200-F202 HydrophobicContact CG-CE2 4.45Å; F202-F204 HydrophobicContact CB-CE2 3.93Å; F202-F204 HydrophobicContact CB-CZ 4.41Å
203	S	35.4	Very low	35.6	Very low	74 Å²	74	106.4 Å²	106.4	52%	0.517	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	124.9	171.4	-74.5	0	0	0	0	108.2	C187	C187-S203 PolarHBondContact SG-OG 3.05Å
204	F	36.5	Very low	35.1	Very low	120 Å²	120	112.9 Å²	112.9	53%	0.526	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.6	118.6	172.1	-62.8	-84.6	0	0	0	108.4	G185 I186 Y188 F202	G185-F204 CarbonylContact C-O 3.55Å; G185-F204 WeakPolarHBondContact CA-O 3.03Å; I186-F204 PolarHBondContact N-O 3.23Å; I186-F204 PolarHBondContact O-N 3.21Å; I186-F204 VanDerWaalsContact O-N 3.16Å; Y188-F204 HydrophobicContact CD2-CD2 4Å; Y188-F204 AromaticContact CD2-CE2 3.79Å; Y188-F204 HydrophobicContact CD2-CE2 3.79Å; Y188-F204 HydrophobicContact CE2-CD2 4.12Å; Y188-F204 HydrophobicContact CE2-CE2 4.09Å; F202-F204 HydrophobicContact CB-CE2 3.93Å; F202-F204 HydrophobicContact CB-CZ 4.41Å
205	S	34.2	Very low	34.7	Very low	176 Å²	176	117.9 Å²	117.9	100%	1.231	61%	0.611	S	S	*	*			trans	-85.5	0	170.2	58.8	0	0	0	0	111

Retrieved 205 of 205 residues in 50.5 ms (Link to these results)

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