A0A3Q0KN28_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4EPZ4), UniProt , Accession A0A3Q0KN28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	36.5	Very low	246 Å²	246	151 Å²	151	100%	1.212	75%	0.746	S	S	*	*				0	86.2	0	-81.3	-143.4	-134.1	0	0	107.5
2	E	31.6	Very low	36.8	Very low	149 Å²	149	145.6 Å²	145.6	70%	0.696	72%	0.722	S	S	*	*			trans	-105.3	118.2	-179.9	-77.3	178.3	163	0	0	109.2	Y4	E2-Y4 HydrophobicContact CB-CD2 4.45Å; E2-Y4 HydrophobicContact CB-CE2 3.91Å; E2-Y4 WeakPolarHBondContact O-CD2 3.27Å; E2-Y4 PolarHBondContact O-N 2.65Å; E2-Y4 PolarHBondContact OE2-OH 2.82Å; E2-Y4 VanDerWaalsContact OE2-OH 3.08Å
3	K	31.2	Very low	37.2	Very low	204 Å²	204	141.2 Å²	141.2	89%	0.887	70%	0.702	S	S	*	*			trans	-74.1	101.1	171.5	-77.7	176.7	172.3	178.2	0	107.9	N5	K3-N5 PolarHBondContact O-N 3.23Å
4	Y	36.8	Very low	37.8	Very low	188 Å²	188	140.4 Å²	140.4	74%	0.737	70%	0.695	S	S	*	*			trans	-74.4	111	169.1	-72.6	-87.7	0	0	0	108.9	E2 L6	E2-Y4 HydrophobicContact CB-CD2 4.45Å; E2-Y4 HydrophobicContact CB-CE2 3.91Å; E2-Y4 WeakPolarHBondContact O-CD2 3.27Å; E2-Y4 PolarHBondContact O-N 2.65Å; E2-Y4 PolarHBondContact OE2-OH 2.82Å; E2-Y4 VanDerWaalsContact OE2-OH 3.08Å; Y4-L6 PolarHBondContact O-N 3.09Å
5	N	32.9	Very low	38.4	Very low	153 Å²	153	135.9 Å²	135.9	82%	0.818	68%	0.679	S	S	*	*			trans	-63.6	100.3	170.3	-77.9	-34.8	0	0	0	109.1	K3 N7	K3-N5 PolarHBondContact O-N 3.23Å; N5-N7 PolarHBondContact O-N 3.03Å
6	L	32.4	Very low	38.8	Very low	137 Å²	137	132.9 Å²	132.9	72%	0.717	67%	0.665	S	S	*	*			trans	-73	75.5	168.3	-76	160.9	0	0	0	109.5	Y4 E8	Y4-L6 PolarHBondContact O-N 3.09Å; L6-E8 HydrophobicContact CD2-CG 4.14Å; L6-E8 PolarHBondContact O-N 3.38Å
7	N	35.5	Very low	39.9	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	66%	0.657	S	S	*	*			trans	-91.1	66.8	154.6	-83.2	-8.7	0	0	0	107.4	N5	N5-N7 PolarHBondContact O-N 3.03Å
8	E	38.2	Very low	41.1	Very low	119 Å²	119	127.2 Å²	127.2	56%	0.556	64%	0.643	S	S	*	*			trans	-72	123.7	163	-74.8	-178	169.7	0	0	107.3	L6 L10	L6-E8 HydrophobicContact CD2-CG 4.14Å; L6-E8 PolarHBondContact O-N 3.38Å; E8-L10 PolarHBondContact O-N 3.26Å
9	N	40.1	Very low	42	Very low	108 Å²	108	122.4 Å²	122.4	58%	0.578	62%	0.62	S	S	*	*			trans	-55.2	127.4	179.2	-77.1	-42	0	0	0	109.2	S11 D12	N9-S11 WeakPolarHBondContact CB-OG 3.4Å; N9-S11 PolarHBondContact O-N 3.1Å; N9-D12 WeakPolarHBondContact O-CB 3.42Å; N9-D12 PolarHBondContact O-N 2.85Å
10	L	41.6	Very low	42.8	Very low	137 Å²	137	125.3 Å²	125.3	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-55.1	-23.4	-179.9	-124.1	114.8	0	0	0	113.1	E8 Q14	E8-L10 PolarHBondContact O-N 3.26Å; L10-Q14 PolarHBondContact O-N 3.23Å
11	S	45.5	Very low	43.8	Very low	65 Å²	65	121.2 Å²	121.2	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-63.7	-37.3	172.8	54	0	0	0	0	113	N9 Q14 T15	N9-S11 WeakPolarHBondContact CB-OG 3.4Å; N9-S11 PolarHBondContact O-N 3.1Å; S11-Q14 PolarHBondContact O-N 3.19Å; S11-T15 PolarHBondContact O-N 3.08Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 3.38Å; S11-T15 VanDerWaalsContact O-OG1 3.04Å
12	D	40.6	Very low	44.9	Very low	86 Å²	86	113.9 Å²	113.9	46%	0.46	58%	0.579	S	S	.	*	H	α-helix	trans	-73.8	-36.3	-173.6	-62.9	-12.7	0	0	0	110.3	N9 T15 L16	N9-D12 WeakPolarHBondContact O-CB 3.42Å; N9-D12 PolarHBondContact O-N 2.85Å; D12-T15 VanDerWaalsContact CA-OG1 3.32Å; D12-T15 WeakPolarHBondContact CA-OG1 3.49Å; D12-T15 PolarHBondContact O-N 2.88Å; D12-T15 PolarHBondContact O-OG1 2.99Å; D12-L16 WeakPolarHBondContact O-CG 3.3Å; D12-L16 PolarHBondContact O-N 2.89Å
13	L	41.3	Very low	46.3	Very low	89 Å²	89	115.2 Å²	115.2	47%	0.466	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-35.5	171.7	-77.3	160.3	0	0	0	112.7	L16 S17	L13-L16 PolarHBondContact O-N 3.47Å; L13-S17 PolarHBondContact O-N 2.97Å
14	Q	46	Very low	47.7	Very low	129 Å²	129	106.6 Å²	106.6	60%	0.603	54%	0.544	S	S	*	.	H	α-helix	trans	-65.8	-45.3	174.3	-77.8	-178.9	-13.1	0	0	111.3	L10 S11 L16 S17 E18	L10-Q14 PolarHBondContact O-N 3.23Å; S11-Q14 PolarHBondContact O-N 3.19Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.29Å; Q14-S17 PolarHBondContact O-N 3.49Å; Q14-S17 PolarHBondContact O-OG 3.38Å; Q14-E18 PolarHBondContact O-N 3.08Å; Q14-E18 VanDerWaalsContact O-N 3.15Å
15	T	47.1	Very low	48.9	Very low	74 Å²	74	100.7 Å²	100.7	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-34.3	175.1	29.2	0	0	0	0	113.5	S11 D12 N19	S11-T15 PolarHBondContact O-N 3.08Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 3.38Å; S11-T15 VanDerWaalsContact O-OG1 3.04Å; D12-T15 VanDerWaalsContact CA-OG1 3.32Å; D12-T15 WeakPolarHBondContact CA-OG1 3.49Å; D12-T15 PolarHBondContact O-N 2.88Å; D12-T15 PolarHBondContact O-OG1 2.99Å; T15-N19 WeakPolarHBondContact O-CB 3.09Å; T15-N19 VanDerWaalsContact O-CG 3.25Å; T15-N19 PolarHBondContact O-N 3.24Å; T15-N19 VanDerWaalsContact O-N 3.15Å; T15-N19 PolarHBondContact O-ND2 3.46Å
16	L	45.2	Very low	50.2	Low	87 Å²	87	98 Å²	98	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-47	171.6	-75.2	166.6	0	0	0	110.7	D12 L13 Q14 E18 N19 W20	D12-L16 WeakPolarHBondContact O-CG 3.3Å; D12-L16 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 3.47Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.29Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.41Å; L16-N19 PolarHBondContact O-N 2.84Å; L16-W20 WeakPolarHBondContact O-CB 3.48Å; L16-W20 PolarHBondContact O-N 2.62Å
17	S	57.6	Low	51.5	Low	75 Å²	75	98 Å²	98	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-37.1	-178.5	72	0	0	0	0	113.5	L13 Q14 S21	L13-S17 PolarHBondContact O-N 2.97Å; Q14-S17 PolarHBondContact O-N 3.49Å; Q14-S17 PolarHBondContact O-OG 3.38Å; S17-S21 WeakPolarHBondContact O-CB 3.44Å; S17-S21 PolarHBondContact O-N 2.98Å
18	E	60.2	Low	52.5	Low	89 Å²	89	95 Å²	95	42%	0.416	50%	0.499	S	S	.	.	H	α-helix	trans	-73.5	-41	178.1	-164.5	176.2	-169	0	0	111.8	Q14 L16 W20 V25	Q14-E18 PolarHBondContact O-N 3.08Å; Q14-E18 VanDerWaalsContact O-N 3.15Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.41Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.88Å; E18-V25 HydrophobicContact CG-CG2 4.2Å
19	N	59.2	Low	53.4	Low	36 Å²	36	94.8 Å²	94.8	19%	0.193	50%	0.502	C	S	.	.	H	α-helix	trans	-70.6	-23.1	178.5	-72.4	-23.5	0	0	0	113.2	T15 L16 R47 H51	T15-N19 WeakPolarHBondContact O-CB 3.09Å; T15-N19 VanDerWaalsContact O-CG 3.25Å; T15-N19 PolarHBondContact O-N 3.24Å; T15-N19 VanDerWaalsContact O-N 3.15Å; T15-N19 PolarHBondContact O-ND2 3.46Å; L16-N19 PolarHBondContact O-N 2.84Å; N19-R47 VanDerWaalsContact C-NH2 3.28Å; N19-R47 PolarHBondContact O-NH2 2.97Å; N19-H51 PolarHBondContact O-NE2 3.23Å
20	W	56.7	Low	54.3	Low	180 Å²	180	94.3 Å²	94.3	68%	0.682	51%	0.505	S	S	*	.	H	α-helix	trans	-107.6	-4.5	-178.3	-70.6	85.9	0	0	0	114.2	L16 E18 S22 H51	L16-W20 WeakPolarHBondContact O-CB 3.48Å; L16-W20 PolarHBondContact O-N 2.62Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.88Å; W20-S22 PolarHBondContact O-N 3.35Å; W20-H51 AromaticContact CE2-CE1 3.77Å; W20-H51 AromaticContact NE1-CE1 3.78Å
21	S	64.3	Low	55.3	Low	40 Å²	40	89.2 Å²	89.2	28%	0.28	48%	0.481	S	S	.	.			trans	-64.3	130.1	178.8	178.1	0	0	0	0	112.1	S17 Y23 R47	S17-S21 WeakPolarHBondContact O-CB 3.44Å; S17-S21 PolarHBondContact O-N 2.98Å; S21-Y23 VanDerWaalsContact C-N 3.26Å; S21-Y23 PolarHBondContact O-N 2.85Å; S21-Y23 PolarHBondContact OG-N 3.18Å; S21-Y23 VanDerWaalsContact OG-N 3.16Å; S21-Y23 PolarHBondContact OG-O 3.5Å; S21-R47 PolarHBondContact O-NH1 2.81Å; S21-R47 PolarHBondContact O-NH2 2.83Å
22	S	59.5	Low	56.1	Low	91 Å²	91	94.3 Å²	94.3	64%	0.636	49%	0.491	S	S	*	.	S	Bend	trans	-67.9	-24.4	172.4	-58.1	0	0	0	0	112.8	W20 P38 W39	W20-S22 PolarHBondContact O-N 3.35Å; S22-P38 WeakPolarHBondContact O-CG 3.18Å; S22-W39 PolarHBondContact O-NE1 2.89Å
23	Y	61.2	Low	56.9	Low	178 Å²	178	96.2 Å²	96.2	70%	0.698	51%	0.508	S	S	*	.	S	Bend	trans	-117.3	138.4	-173.1	-61.4	-78.8	0	0	0	112.2	S21 V25 W39	S21-Y23 VanDerWaalsContact C-N 3.26Å; S21-Y23 PolarHBondContact O-N 2.85Å; S21-Y23 PolarHBondContact OG-N 3.18Å; S21-Y23 VanDerWaalsContact OG-N 3.16Å; S21-Y23 PolarHBondContact OG-O 3.5Å; Y23-V25 PolarHBondContact O-N 2.79Å; Y23-W39 WeakPolarHBondContact O-CZ2 3.3Å
24	P	59.4	Low	57.6	Low	22 Å²	22	95.8 Å²	95.8	14%	0.143	53%	0.525	C	S	.	.			trans	-56.8	133.1	175.6	25.1	-34.2	0	0	0	111.1	S26 P38 W39	P24-S26 PolarHBondContact O-N 3.41Å; P24-P38 VanDerWaalsContact CD-CB 3.47Å; P24-P38 HydrophobicContact CG-CB 3.94Å; P24-P38 HydrophobicContact CG-CG 4.49Å; P24-W39 HydrophobicContact CB-CD2 3.97Å; P24-W39 HydrophobicContact CB-CE3 3.85Å; P24-W39 HydrophobicContact CB-CH2 4.19Å; P24-W39 HydrophobicContact CB-CZ2 4.16Å; P24-W39 HydrophobicContact CB-CZ3 3.98Å
25	V	63.1	Low	58.4	Low	64 Å²	64	90.9 Å²	90.9	39%	0.388	51%	0.506	S	S	.	.			trans	-53.6	138.2	158.6	-167.9	0	0	0	0	106.1	E18 Y23 N27 Y28	E18-V25 HydrophobicContact CG-CG2 4.2Å; Y23-V25 PolarHBondContact O-N 2.79Å; V25-N27 PolarHBondContact O-N 3.27Å; V25-Y28 HydrophobicContact CB-CD2 4.08Å; V25-Y28 PolarHBondContact O-N 3.38Å
26	S	59.1	Low	59.3	Low	98 Å²	98	91.6 Å²	91.6	69%	0.685	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-44.3	-29	-168.4	48.2	0	0	0	0	115.4	P24 Y28	P24-S26 PolarHBondContact O-N 3.41Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 2.98Å
27	N	59.2	Low	60.1	Low	135 Å²	135	92.1 Å²	92.1	72%	0.722	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-74.7	-8.2	178.4	-64.9	-10.7	0	0	0	115.2	V25	V25-N27 PolarHBondContact O-N 3.27Å
28	Y	57.4	Low	60.3	Low	94 Å²	94	90.3 Å²	90.3	37%	0.369	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-114.6	15.8	-175.8	-62.2	-56	0	0	0	114	V25 S26 C30 W39 P40 I43	V25-Y28 HydrophobicContact CB-CD2 4.08Å; V25-Y28 PolarHBondContact O-N 3.38Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 2.98Å; Y28-C30 PolarHBondContact O-N 3.36Å; Y28-W39 HydrophobicContact CD2-CZ3 4.12Å; Y28-W39 HydrophobicContact CG-CZ3 4.45Å; Y28-P40 WeakPolarHBondContact O-CD 3.48Å; Y28-I43 HydrophobicContact CD1-CD1 3.17Å; Y28-I43 HydrophobicContact CD1-CG1 4.38Å; Y28-I43 HydrophobicContact CE1-CD1 3.79Å; Y28-I43 HydrophobicContact CG-CD1 3.84Å
29	N	56.4	Low	60.5	Low	114 Å²	114	87 Å²	87	61%	0.61	47%	0.472	S	S	*	.			trans	-79.3	48	-177.9	-139.4	10.1	0	0	0	112.4
30	C	59.5	Low	60.8	Low	97 Å²	97	86 Å²	86	66%	0.655	47%	0.468	S	S	*	.			trans	-104	15.5	-178	-55.9	0	0	0	0	112.8	Y28 P40	Y28-C30 PolarHBondContact O-N 3.36Å; C30-P40 HydrophobicContact CB-CB 4.37Å; C30-P40 HydrophobicContact CB-CG 4.21Å
31	S	63.7	Low	61.1	Low	31 Å²	31	80.7 Å²	80.7	22%	0.217	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-66.1	147.7	172.7	54.2	0	0	0	0	110.6	P38	S31-P38 VanDerWaalsContact CB-O 3.27Å; S31-P38 WeakPolarHBondContact CB-O 3.23Å; S31-P38 PolarHBondContact OG-O 3.12Å
32	R	61.4	Low	61.2	Low	171 Å²	171	83.8 Å²	83.8	65%	0.645	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-62.8	140.4	177.6	-175.4	-179.2	176.8	170.6	2.7	109.4	G34 A35	R32-G34 PolarHBondContact O-N 3.18Å; R32-G34 VanDerWaalsContact O-N 3.1Å; R32-A35 VanDerWaalsContact O-CB 3.26Å; R32-A35 WeakPolarHBondContact O-CB 3.29Å; R32-A35 PolarHBondContact O-N 2.95Å
33	P	57.3	Low	61.7	Low	126 Å²	126	80.9 Å²	80.9	82%	0.818	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	120.5	170.6	-27.8	35	0	0	0	111.7
34	G	56.8	Low	61.9	Low	80 Å²	80	73.5 Å²	73.5	83%	0.825	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	5.4	-176.7	0	0	0	0	0	115.9	R32	R32-G34 PolarHBondContact O-N 3.18Å; R32-G34 VanDerWaalsContact O-N 3.1Å
35	A	61.2	Low	62	Low	26 Å²	26	72.6 Å²	72.6	22%	0.215	41%	0.406	C	S	.	.			trans	-62.9	141.4	172.6	0	0	0	0	0	111.9	R32 F37 E67	R32-A35 VanDerWaalsContact O-CB 3.26Å; R32-A35 WeakPolarHBondContact O-CB 3.29Å; R32-A35 PolarHBondContact O-N 2.95Å; A35-F37 WeakPolarHBondContact CB-O 3.25Å; A35-E67 WeakPolarHBondContact CA-O 3.31Å
36	F	66	Low	62.2	Low	90 Å²	90	76.1 Å²	76.1	40%	0.395	42%	0.416	S	S	.	.	S	Bend	trans	-68.1	-43.9	177	179.1	-109.3	0	0	0	112.1	E67 R69 P70	F36-E67 PolarHBondContact N-O 3.25Å; F36-R69 HydrophobicContact CB-CB 4.44Å; F36-R69 HydrophobicContact CD2-CB 4Å; F36-R69 HydrophobicContact CD2-CG 3.81Å; F36-R69 HydrophobicContact CE2-CG 4.08Å; F36-R69 HydrophobicContact CG-CB 4.44Å; F36-P70 HydrophobicContact CZ-CG 4.49Å
37	F	62.2	Low	62.7	Low	97 Å²	97	73.6 Å²	73.6	43%	0.425	39%	0.391	S	S	.	.	S	Bend	trans	-95	138.2	171.3	-67.6	-71.5	0	0	0	110.9	A35 W39 I66	A35-F37 WeakPolarHBondContact CB-O 3.25Å; F37-W39 PolarHBondContact O-N 2.9Å; F37-W39 VanDerWaalsContact O-N 3.15Å; F37-I66 HydrophobicContact CB-CG2 4.08Å; F37-I66 HydrophobicContact CD2-CG2 3.96Å; F37-I66 WeakPolarHBondContact CD2-O 3.15Å; F37-I66 HydrophobicContact CG-CG2 4.45Å; F37-I66 PolarHBondContact N-O 2.97Å
38	P	62.3	Low	62.9	Low	37 Å²	37	69.1 Å²	69.1	24%	0.24	37%	0.369	C	S	.	.	S	Bend	trans	-74.7	-1.8	-177.6	30.7	-35.5	0	0	0	113.5	S22 P24 S31	S22-P38 WeakPolarHBondContact O-CG 3.18Å; P24-P38 VanDerWaalsContact CD-CB 3.47Å; P24-P38 HydrophobicContact CG-CB 3.94Å; P24-P38 HydrophobicContact CG-CG 4.49Å; S31-P38 VanDerWaalsContact CB-O 3.27Å; S31-P38 WeakPolarHBondContact CB-O 3.23Å; S31-P38 PolarHBondContact OG-O 3.12Å
39	W	64.8	Low	63.3	Low	21 Å²	21	69.5 Å²	69.5	8%	0.08	37%	0.374	C	S	.	.	S	Bend	trans	-101.9	137.4	-177.1	-54.7	86.6	0	0	0	111.4	S22 Y23 P24 Y28 F37 I43	S22-W39 PolarHBondContact O-NE1 2.89Å; Y23-W39 WeakPolarHBondContact O-CZ2 3.3Å; P24-W39 HydrophobicContact CB-CD2 3.97Å; P24-W39 HydrophobicContact CB-CE3 3.85Å; P24-W39 HydrophobicContact CB-CH2 4.19Å; P24-W39 HydrophobicContact CB-CZ2 4.16Å; P24-W39 HydrophobicContact CB-CZ3 3.98Å; Y28-W39 HydrophobicContact CD2-CZ3 4.12Å; Y28-W39 HydrophobicContact CG-CZ3 4.45Å; F37-W39 PolarHBondContact O-N 2.9Å; F37-W39 VanDerWaalsContact O-N 3.15Å; W39-I43 HydrophobicContact CE3-CG2 3.8Å; W39-I43 HydrophobicContact CZ3-CG2 4.32Å
40	P	64.9	Low	63.8	Low	15 Å²	15	71 Å²	71	10%	0.097	38%	0.375	C	S	.	.			trans	-70.9	151.4	176	31.3	-36.9	0	0	0	111.6	Y28 C30 N42 I43 T44	Y28-P40 WeakPolarHBondContact O-CD 3.48Å; C30-P40 HydrophobicContact CB-CB 4.37Å; C30-P40 HydrophobicContact CB-CG 4.21Å; P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 VanDerWaalsContact CB-OD1 3.31Å; P40-N42 WeakPolarHBondContact CB-OD1 3.4Å; P40-N42 WeakPolarHBondContact CG-OD1 3.38Å; P40-N42 PolarHBondContact O-N 2.61Å; P40-N42 VanDerWaalsContact O-N 3.11Å; P40-I43 HydrophobicContact CG-CB 4.14Å; P40-I43 HydrophobicContact CG-CD1 3.53Å; P40-I43 HydrophobicContact CG-CG1 4.05Å; P40-I43 PolarHBondContact O-N 2.93Å; P40-T44 PolarHBondContact O-N 2.97Å; P40-T44 VanDerWaalsContact O-N 3.07Å; P40-T44 PolarHBondContact O-OG1 3.22Å
41	R	63.1	Low	64	Low	67 Å²	67	70.5 Å²	70.5	25%	0.253	36%	0.363	S	S	.	.	H	α-helix	trans	-52.4	-39.9	-170.8	-62.4	-171.6	-165.2	-168.2	4.2	114.2	I43 T44 G45 L62 E67	R41-I43 PolarHBondContact O-N 3.33Å; R41-T44 PolarHBondContact O-N 2.91Å; R41-G45 PolarHBondContact O-N 3.19Å; R41-L62 HydrophobicContact CB-CD2 3.94Å; R41-L62 PolarHBondContact NH1-O 3.24Å; R41-E67 HydrophobicContact CG-CG 4.45Å; R41-E67 IonicContact CZ-OE1 3.62Å; R41-E67 IonicContact CZ-OE2 3.83Å; R41-E67 IonicContact NE-OE1 3.64Å; R41-E67 PolarHBondContact NE-OE1 2.86Å; R41-E67 IonicContact NE-OE2 3.46Å; R41-E67 IonicContact NH2-OE1 2.76Å; R41-E67 PolarHBondContact NH2-OE1 3.39Å; R41-E67 IonicContact NH2-OE2 3.9Å; R41-E67 PolarHBondContact NH2-OE2 2.89Å
42	N	66.8	Low	63.8	Low	105 Å²	105	72 Å²	72	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-64.8	-26.1	179.7	61.5	-25.5	0	0	0	113.5	P40	P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 VanDerWaalsContact CB-OD1 3.31Å; P40-N42 WeakPolarHBondContact CB-OD1 3.4Å; P40-N42 WeakPolarHBondContact CG-OD1 3.38Å; P40-N42 PolarHBondContact O-N 2.61Å; P40-N42 VanDerWaalsContact O-N 3.11Å
43	I	69	Low	63.7	Low	30 Å²	30	72.1 Å²	72.1	15%	0.154	38%	0.382	C	S	.	.	H	α-helix	trans	-92.4	-38.2	179	-68.8	167.9	0	0	0	110.4	Y28 W39 P40 R41 G45 K46 R47	Y28-I43 HydrophobicContact CD1-CD1 3.17Å; Y28-I43 HydrophobicContact CD1-CG1 4.38Å; Y28-I43 HydrophobicContact CE1-CD1 3.79Å; Y28-I43 HydrophobicContact CG-CD1 3.84Å; W39-I43 HydrophobicContact CE3-CG2 3.8Å; W39-I43 HydrophobicContact CZ3-CG2 4.32Å; P40-I43 HydrophobicContact CG-CB 4.14Å; P40-I43 HydrophobicContact CG-CD1 3.53Å; P40-I43 HydrophobicContact CG-CG1 4.05Å; P40-I43 PolarHBondContact O-N 2.93Å; R41-I43 PolarHBondContact O-N 3.33Å; I43-G45 VanDerWaalsContact C-N 3.32Å; I43-G45 PolarHBondContact O-N 2.93Å; I43-K46 PolarHBondContact O-N 3.42Å; I43-R47 PolarHBondContact O-N 2.92Å
44	T	65.5	Low	63.7	Low	24 Å²	24	75.7 Å²	75.7	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-43.6	177.2	-49.5	0	0	0	0	111.8	P40 R41 K46 R47 V48 I66	P40-T44 PolarHBondContact O-N 2.97Å; P40-T44 VanDerWaalsContact O-N 3.07Å; P40-T44 PolarHBondContact O-OG1 3.22Å; R41-T44 PolarHBondContact O-N 2.91Å; T44-K46 PolarHBondContact O-N 3.03Å; T44-R47 PolarHBondContact O-N 2.93Å; T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.93Å; T44-V48 VanDerWaalsContact O-N 3.08Å; T44-I66 HydrophobicContact CG2-CD1 3.67Å; T44-I66 HydrophobicContact CG2-CG1 4.41Å; T44-I66 HydrophobicContact CG2-CG2 4.24Å
45	G	63.3	Low	63.8	Low	2 Å²	2	77.9 Å²	77.9	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175.9	0	0	0	0	0	113	R41 I43 R47 V48 E49	R41-G45 PolarHBondContact O-N 3.19Å; I43-G45 VanDerWaalsContact C-N 3.32Å; I43-G45 PolarHBondContact O-N 2.93Å; G45-R47 VanDerWaalsContact C-N 3.31Å; G45-R47 PolarHBondContact O-N 2.91Å; G45-V48 PolarHBondContact O-N 2.86Å; G45-E49 WeakPolarHBondContact O-CB 3.31Å; G45-E49 PolarHBondContact O-N 3.33Å
46	K	67.4	Low	63.6	Low	138 Å²	138	79.4 Å²	79.4	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-64.6	-32.5	177.3	-69.2	-177.6	178.7	-174.5	0	113	I43 T44 K50	I43-K46 PolarHBondContact O-N 3.42Å; T44-K46 PolarHBondContact O-N 3.03Å; K46-K50 WeakPolarHBondContact O-CG 3.34Å; K46-K50 PolarHBondContact O-N 2.79Å
47	R	68.4	Low	63.3	Low	45 Å²	45	78.1 Å²	78.1	17%	0.17	39%	0.388	C	S	.	.	H	α-helix	trans	-69.2	-46.3	176.1	-77.1	-170.9	65.8	172.7	-3.6	111.1	N19 S21 I43 T44 G45 E49 K50 H51	N19-R47 VanDerWaalsContact C-NH2 3.28Å; N19-R47 PolarHBondContact O-NH2 2.97Å; S21-R47 PolarHBondContact O-NH1 2.81Å; S21-R47 PolarHBondContact O-NH2 2.83Å; I43-R47 PolarHBondContact O-N 2.92Å; T44-R47 PolarHBondContact O-N 2.93Å; G45-R47 VanDerWaalsContact C-N 3.31Å; G45-R47 PolarHBondContact O-N 2.91Å; R47-E49 VanDerWaalsContact C-N 3.34Å; R47-K50 WeakPolarHBondContact O-CB 3.47Å; R47-K50 PolarHBondContact O-N 2.89Å; R47-H51 PolarHBondContact O-CD2 3.38Å; R47-H51 PolarHBondContact O-N 3.35Å
48	V	64.4	Low	63.1	Low	41 Å²	41	75.6 Å²	75.6	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-66.3	-39.1	179.4	178.4	0	0	0	0	111.1	T44 G45 K50 H51 D52 L61	T44-V48 WeakPolarHBondContact O-CG2 3.44Å; T44-V48 PolarHBondContact O-N 2.93Å; T44-V48 VanDerWaalsContact O-N 3.08Å; G45-V48 PolarHBondContact O-N 2.86Å; V48-K50 PolarHBondContact O-N 3.14Å; V48-H51 WeakPolarHBondContact O-CA 3.16Å; V48-H51 PolarHBondContact O-N 2.67Å; V48-D52 PolarHBondContact O-N 3.09Å; V48-L61 HydrophobicContact CB-CD1 3.35Å; V48-L61 HydrophobicContact CG1-CD1 3.47Å; V48-L61 VanDerWaalsContact CG1-CD1 3.47Å; V48-L61 HydrophobicContact CG1-CD2 4.16Å; V48-L61 HydrophobicContact CG1-CG 4.43Å; V48-L61 HydrophobicContact CG2-CD1 3.81Å; V48-L61 HydrophobicContact CG2-CD2 4.35Å
49	E	64.7	Low	62.9	Low	102 Å²	102	79.6 Å²	79.6	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-57.9	-34.4	173.9	-173.8	178	-161.5	0	0	112.5	G45 R47 H51	G45-E49 WeakPolarHBondContact O-CB 3.31Å; G45-E49 PolarHBondContact O-N 3.33Å; R47-E49 VanDerWaalsContact C-N 3.34Å; E49-H51 VanDerWaalsContact C-N 3.32Å
50	K	67.4	Low	62.4	Low	147 Å²	147	81.9 Å²	81.9	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-73.6	-20.6	173.6	-72.9	178.8	178.8	-171.4	0	114	K46 R47 V48	K46-K50 WeakPolarHBondContact O-CG 3.34Å; K46-K50 PolarHBondContact O-N 2.79Å; R47-K50 WeakPolarHBondContact O-CB 3.47Å; R47-K50 PolarHBondContact O-N 2.89Å; V48-K50 PolarHBondContact O-N 3.14Å
51	H	62.9	Low	62.1	Low	85 Å²	85	83.4 Å²	83.4	39%	0.394	43%	0.431	S	S	.	.	H	α-helix	trans	-95.9	-30.1	-177	-83.9	-70.5	0	0	0	113	N19 W20 R47 V48 E49	N19-H51 PolarHBondContact O-NE2 3.23Å; W20-H51 AromaticContact CE2-CE1 3.77Å; W20-H51 AromaticContact NE1-CE1 3.78Å; R47-H51 PolarHBondContact O-CD2 3.38Å; R47-H51 PolarHBondContact O-N 3.35Å; V48-H51 WeakPolarHBondContact O-CA 3.16Å; V48-H51 PolarHBondContact O-N 2.67Å; E49-H51 VanDerWaalsContact C-N 3.32Å
52	D	60.7	Low	61.7	Low	63 Å²	63	83.8 Å²	83.8	34%	0.337	44%	0.438	S	S	.	.			trans	-98.7	112	-175.8	-133	-31.4	0	0	0	109.8	V48 R54 I56	V48-D52 PolarHBondContact O-N 3.09Å; D52-R54 PolarHBondContact O-N 2.92Å; D52-R54 VanDerWaalsContact O-O 3.1Å; D52-I56 HydrophobicContact CB-CD1 4.32Å; D52-I56 WeakPolarHBondContact OD2-CD1 2.81Å
53	N	59.7	Low	61.1	Low	174 Å²	174	80.2 Å²	80.2	93%	0.93	43%	0.426	S	S	*	.	S	Bend	trans	-63.1	-8.5	172.4	-74.5	-18.2	0	0	0	112.3
54	R	55.8	Low	60.3	Low	200 Å²	200	82.9 Å²	82.9	76%	0.755	44%	0.44	S	S	*	.	S	Bend	trans	-90.3	125.8	169.2	-63.5	176.3	178.6	174.4	0.7	107.2	D52 I56	D52-R54 PolarHBondContact O-N 2.92Å; D52-R54 VanDerWaalsContact O-O 3.1Å; R54-I56 HydrophobicContact CB-CG1 4.38Å; R54-I56 PolarHBondContact O-N 2.73Å
55	S	58.5	Low	59.7	Low	126 Å²	126	89.6 Å²	89.6	88%	0.881	47%	0.469	S	S	*	.			trans	-65.8	69.1	176.5	46.4	0	0	0	0	112.2	S57	S55-S57 PolarHBondContact O-N 3.33Å
56	I	58	Low	59.5	Low	59 Å²	59	90.3 Å²	90.3	30%	0.303	47%	0.473	S	S	.	.			trans	-73.3	118.6	171.4	-61.3	179.1	0	0	0	106.5	D52 R54 A60	D52-I56 HydrophobicContact CB-CD1 4.32Å; D52-I56 WeakPolarHBondContact OD2-CD1 2.81Å; R54-I56 HydrophobicContact CB-CG1 4.38Å; R54-I56 PolarHBondContact O-N 2.73Å; I56-A60 HydrophobicContact CG2-CB 3.88Å
57	S	60.6	Low	59	Low	62 Å²	62	86.2 Å²	86.2	43%	0.434	46%	0.455	S	S	.	.			trans	-55.4	135.5	178.1	73.4	0	0	0	0	109.9	S55 N59 A60	S55-S57 PolarHBondContact O-N 3.33Å; S57-N59 PolarHBondContact O-N 2.99Å; S57-A60 WeakPolarHBondContact O-CB 3.26Å; S57-A60 PolarHBondContact O-N 2.67Å; S57-A60 PolarHBondContact OG-N 3.13Å
58	P	56.8	Low	58.6	Low	45 Å²	45	90.3 Å²	90.3	29%	0.292	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-53.5	-27.7	175.9	-27.7	34.4	0	0	0	112.6	A60 L61 L62	P58-A60 VanDerWaalsContact C-N 3.32Å; P58-A60 PolarHBondContact O-N 3.08Å; P58-L61 PolarHBondContact O-N 3.02Å; P58-L61 VanDerWaalsContact O-N 3.17Å; P58-L62 PolarHBondContact O-N 3.21Å
59	N	58.4	Low	58.4	Low	120 Å²	120	92 Å²	92	64%	0.642	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-66.9	-28.2	177.3	-66.8	-12.5	0	0	0	113.9	S57 L61 L62	S57-N59 PolarHBondContact O-N 2.99Å; N59-L61 PolarHBondContact O-N 3.4Å; N59-L62 HydrophobicContact CB-CD1 4.2Å; N59-L62 WeakPolarHBondContact O-CB 3.48Å; N59-L62 PolarHBondContact O-N 2.96Å; N59-L62 VanDerWaalsContact O-N 3.14Å; N59-L62 WeakPolarHBondContact OD1-CD1 3.28Å
60	A	54.5	Low	58.3	Low	70 Å²	70	90.2 Å²	90.2	58%	0.579	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.5	174.8	0	0	0	0	0	112.1	I56 S57 P58	I56-A60 HydrophobicContact CG2-CB 3.88Å; S57-A60 WeakPolarHBondContact O-CB 3.26Å; S57-A60 PolarHBondContact O-N 2.67Å; S57-A60 PolarHBondContact OG-N 3.13Å; P58-A60 VanDerWaalsContact C-N 3.32Å; P58-A60 PolarHBondContact O-N 3.08Å
61	L	57.8	Low	58	Low	46 Å²	46	88 Å²	88	24%	0.241	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-100.1	-5.5	178.3	-59.8	159.6	0	0	0	112	V48 P58 N59 G63 I66	V48-L61 HydrophobicContact CB-CD1 3.35Å; V48-L61 HydrophobicContact CG1-CD1 3.47Å; V48-L61 VanDerWaalsContact CG1-CD1 3.47Å; V48-L61 HydrophobicContact CG1-CD2 4.16Å; V48-L61 HydrophobicContact CG1-CG 4.43Å; V48-L61 HydrophobicContact CG2-CD1 3.81Å; V48-L61 HydrophobicContact CG2-CD2 4.35Å; P58-L61 PolarHBondContact O-N 3.02Å; P58-L61 VanDerWaalsContact O-N 3.17Å; N59-L61 PolarHBondContact O-N 3.4Å; L61-G63 PolarHBondContact O-N 3.3Å; L61-I66 WeakPolarHBondContact O-CD1 3.39Å
62	L	55.8	Low	57.8	Low	76 Å²	76	85.6 Å²	85.6	40%	0.398	46%	0.462	S	S	.	.			trans	-71.6	19.7	178	-72.2	176.3	0	0	0	113.8	R41 P58 N59	R41-L62 HydrophobicContact CB-CD2 3.94Å; R41-L62 PolarHBondContact NH1-O 3.24Å; P58-L62 PolarHBondContact O-N 3.21Å; N59-L62 HydrophobicContact CB-CD1 4.2Å; N59-L62 WeakPolarHBondContact O-CB 3.48Å; N59-L62 PolarHBondContact O-N 2.96Å; N59-L62 VanDerWaalsContact O-N 3.14Å; N59-L62 WeakPolarHBondContact OD1-CD1 3.28Å
63	G	53.1	Low	57.8	Low	30 Å²	30	89.2 Å²	89.2	31%	0.309	48%	0.482	S	S	.	.			trans	-60.4	144.3	173	0	0	0	0	0	111.8	L61 E65 I66	L61-G63 PolarHBondContact O-N 3.3Å; G63-E65 PolarHBondContact O-N 3.27Å; G63-I66 PolarHBondContact O-N 3.16Å
64	I	51.8	Low	58	Low	86 Å²	86	86.5 Å²	86.5	44%	0.441	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-59.3	-14.7	169	-54.1	161.7	0	0	0	110.6	I66 E67 R68	I64-I66 VanDerWaalsContact C-N 3.28Å; I64-I66 PolarHBondContact O-N 3.21Å; I64-E67 PolarHBondContact O-N 2.86Å; I64-E67 VanDerWaalsContact O-N 3.12Å; I64-R68 HydrophobicContact CG2-CG 4.06Å; I64-R68 PolarHBondContact O-N 3.23Å; I64-R68 VanDerWaalsContact O-N 3.16Å
65	E	52.8	Low	58.1	Low	164 Å²	164	83 Å²	83	77%	0.766	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27.2	177.9	-58.2	-174.6	175.7	0	0	114	G63 E67 R68	G63-E65 PolarHBondContact O-N 3.27Å; E65-E67 VanDerWaalsContact C-N 3.27Å; E65-E67 PolarHBondContact O-N 2.81Å; E65-R68 PolarHBondContact O-N 3.35Å
66	I	59.6	Low	58.3	Low	18 Å²	18	79.4 Å²	79.4	9%	0.092	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-67.3	-33.7	174.7	-62.3	176.3	0	0	0	111	F37 T44 L61 G63 I64	F37-I66 HydrophobicContact CB-CG2 4.08Å; F37-I66 HydrophobicContact CD2-CG2 3.96Å; F37-I66 WeakPolarHBondContact CD2-O 3.15Å; F37-I66 HydrophobicContact CG-CG2 4.45Å; F37-I66 PolarHBondContact N-O 2.97Å; T44-I66 HydrophobicContact CG2-CD1 3.67Å; T44-I66 HydrophobicContact CG2-CG1 4.41Å; T44-I66 HydrophobicContact CG2-CG2 4.24Å; L61-I66 WeakPolarHBondContact O-CD1 3.39Å; G63-I66 PolarHBondContact O-N 3.16Å; I64-I66 VanDerWaalsContact C-N 3.28Å; I64-I66 PolarHBondContact O-N 3.21Å
67	E	58	Low	58.4	Low	51 Å²	51	81.9 Å²	81.9	24%	0.238	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-22	-178.1	-69.7	177.8	-173.6	0	0	112.6	A35 F36 R41 I64 E65	A35-E67 WeakPolarHBondContact CA-O 3.31Å; F36-E67 PolarHBondContact N-O 3.25Å; R41-E67 HydrophobicContact CG-CG 4.45Å; R41-E67 IonicContact CZ-OE1 3.62Å; R41-E67 IonicContact CZ-OE2 3.83Å; R41-E67 IonicContact NE-OE1 3.64Å; R41-E67 PolarHBondContact NE-OE1 2.86Å; R41-E67 IonicContact NE-OE2 3.46Å; R41-E67 IonicContact NH2-OE1 2.76Å; R41-E67 PolarHBondContact NH2-OE1 3.39Å; R41-E67 IonicContact NH2-OE2 3.9Å; R41-E67 PolarHBondContact NH2-OE2 2.89Å; I64-E67 PolarHBondContact O-N 2.86Å; I64-E67 VanDerWaalsContact O-N 3.12Å; E65-E67 VanDerWaalsContact C-N 3.27Å; E65-E67 PolarHBondContact O-N 2.81Å
68	R	59.3	Low	58.5	Low	131 Å²	131	82.3 Å²	82.3	49%	0.494	47%	0.468	S	S	.	.	S	Bend	trans	-98.8	137.6	-178.1	-66.6	-176.9	172.3	-175.1	1.4	109.8	I64 E65 P87	I64-R68 HydrophobicContact CG2-CG 4.06Å; I64-R68 PolarHBondContact O-N 3.23Å; I64-R68 VanDerWaalsContact O-N 3.16Å; E65-R68 PolarHBondContact O-N 3.35Å; R68-P87 HydrophobicContact CB-CB 4.27Å; R68-P87 HydrophobicContact CG-CB 3.69Å
69	R	61.3	Low	58.6	Low	78 Å²	78	86.2 Å²	86.2	29%	0.294	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-59.7	133.5	168.2	-174.3	-173.8	172.2	100.8	-1.7	107.8	F36 T72 G88	F36-R69 HydrophobicContact CB-CB 4.44Å; F36-R69 HydrophobicContact CD2-CB 4Å; F36-R69 HydrophobicContact CD2-CG 3.81Å; F36-R69 HydrophobicContact CE2-CG 4.08Å; F36-R69 HydrophobicContact CG-CB 4.44Å; R69-T72 PolarHBondContact NE-OG1 3.28Å; R69-T72 PolarHBondContact NH2-OG1 2.82Å; R69-G88 WeakPolarHBondContact O-CA 3.44Å
70	P	62.1	Low	58.7	Low	63 Å²	63	83.3 Å²	83.3	41%	0.409	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-57.9	143.3	171.3	23.6	-32.2	0	0	0	108.8	F36 T72	F36-P70 HydrophobicContact CZ-CG 4.49Å; P70-T72 WeakPolarHBondContact O-CG2 3.22Å; P70-T72 PolarHBondContact O-N 2.75Å
71	P	61	Low	58.8	Low	100 Å²	100	81.7 Å²	81.7	65%	0.649	45%	0.451	S	S	*	.			trans	-59.1	108.3	176.7	24.4	-31.9	0	0	0	108.8
72	T	59.3	Low	58.8	Low	36 Å²	36	88.8 Å²	88.8	22%	0.221	48%	0.48	C	S	.	.			trans	-100.4	128.5	178.8	55.1	0	0	0	0	109.7	R69 P70 I74	R69-T72 PolarHBondContact NE-OG1 3.28Å; R69-T72 PolarHBondContact NH2-OG1 2.82Å; P70-T72 WeakPolarHBondContact O-CG2 3.22Å; P70-T72 PolarHBondContact O-N 2.75Å; T72-I74 HydrophobicContact CG2-CD1 4.26Å; T72-I74 PolarHBondContact O-N 2.76Å; T72-I74 VanDerWaalsContact O-N 3.12Å
73	N	59.9	Low	58.7	Low	139 Å²	139	86.6 Å²	86.6	74%	0.743	48%	0.475	S	S	*	.			trans	-72.5	8.2	169	-71.3	-18.8	0	0	0	113.3	Y90	N73-Y90 WeakPolarHBondContact OD1-CE2 3.3Å; N73-Y90 PolarHBondContact OD1-OH 3.03Å; N73-Y90 VanDerWaalsContact OD1-OH 3.06Å
74	I	63.6	Low	58.9	Low	116 Å²	116	94.7 Å²	94.7	60%	0.595	50%	0.497	S	S	*	.	S	Bend	trans	-73.9	124.4	-178	-57.9	169.4	0	0	0	108	T72 G76	T72-I74 HydrophobicContact CG2-CD1 4.26Å; T72-I74 PolarHBondContact O-N 2.76Å; T72-I74 VanDerWaalsContact O-N 3.12Å; I74-G76 PolarHBondContact O-N 2.93Å
75	P	57	Low	59.4	Low	128 Å²	128	91.8 Å²	91.8	83%	0.831	49%	0.486	S	S	*	.			trans	-61.7	126.1	175.2	25	-32	0	0	0	109.5
76	G	62.8	Low	59.9	Low	50 Å²	50	84.8 Å²	84.8	52%	0.515	46%	0.456	S	S	.	.			trans	-164.2	167.3	179.8	0	0	0	0	0	110.7	I74 I78	I74-G76 PolarHBondContact O-N 2.93Å; G76-I78 PolarHBondContact O-N 3.1Å
77	P	60.1	Low	59.8	Low	111 Å²	111	87.2 Å²	87.2	72%	0.721	47%	0.473	S	S	*	.			trans	-60.7	127.5	178	25.2	-33	0	0	0	110	K79 Y89	P77-K79 PolarHBondContact O-N 3.22Å; P77-Y89 WeakPolarHBondContact O-CE1 3.44Å
78	I	62.7	Low	59.9	Low	70 Å²	70	85.7 Å²	85.7	36%	0.359	47%	0.471	S	S	.	.			trans	-70.4	113.6	177	-60.5	171.6	0	0	0	108	G76 M80 Y90 Q92	G76-I78 PolarHBondContact O-N 3.1Å; I78-M80 HydrophobicContact CG2-CG 4.32Å; I78-M80 HydrophobicContact CG2-SD 3.58Å; I78-M80 VanDerWaalsContact CG2-SD 3.58Å; I78-Y90 VanDerWaalsContact CG2-O 3.26Å; I78-Y90 WeakPolarHBondContact CG2-O 3.11Å; I78-Q92 HydrophobicContact CD1-CB 3.73Å; I78-Q92 HydrophobicContact CD1-CG 4.17Å
79	K	60.8	Low	60.1	Low	127 Å²	127	82.5 Å²	82.5	55%	0.552	46%	0.459	S	S	*	.			trans	-83.2	123.6	171.9	-67.7	-171.7	178.9	-178.2	0	108.9	P77 A86 Y89	P77-K79 PolarHBondContact O-N 3.22Å; K79-A86 HydrophobicContact CB-CB 4.23Å; K79-A86 WeakPolarHBondContact O-CB 3.35Å; K79-A86 PolarHBondContact O-N 3.28Å; K79-Y89 HydrophobicContact CB-CD1 4.5Å; K79-Y89 HydrophobicContact CB-CD2 4.22Å; K79-Y89 HydrophobicContact CB-CE1 4.37Å; K79-Y89 HydrophobicContact CB-CE2 4.09Å; K79-Y89 HydrophobicContact CB-CG 4.43Å; K79-Y89 HydrophobicContact CD-CE2 4.29Å; K79-Y89 HydrophobicContact CG-CE1 4.23Å; K79-Y89 HydrophobicContact CG-CE2 4.41Å
80	M	59.9	Low	60.2	Low	60 Å²	60	85.2 Å²	85.2	30%	0.296	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.4	177.6	-59.5	-62.1	-81	0	0	109.9	I78 R84 A85 F101	I78-M80 HydrophobicContact CG2-CG 4.32Å; I78-M80 HydrophobicContact CG2-SD 3.58Å; I78-M80 VanDerWaalsContact CG2-SD 3.58Å; M80-R84 CarbonylContact C-O 3.45Å; M80-R84 VanDerWaalsContact CA-O 3.24Å; M80-R84 WeakPolarHBondContact CA-O 3.43Å; M80-A85 VanDerWaalsContact SD-CA 3.51Å; M80-A85 HydrophobicContact SD-CB 4.17Å; M80-F101 HydrophobicContact CE-CD1 4.02Å; M80-F101 HydrophobicContact CE-CE1 3.5Å; M80-F101 HydrophobicContact CE-CZ 4.47Å; M80-F101 HydrophobicContact CG-CD1 4.31Å
81	A	55.6	Low	60.3	Low	36 Å²	36	85.6 Å²	85.6	30%	0.298	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.4	171.6	0	0	0	0	0	109	G83 R84 A86	A81-G83 VanDerWaalsContact C-N 3.27Å; A81-G83 PolarHBondContact O-N 2.8Å; A81-R84 PolarHBondContact N-O 2.86Å; A81-R84 PolarHBondContact O-N 2.79Å; A81-R84 VanDerWaalsContact O-O 3.05Å; A81-A86 HydrophobicContact CB-CB 4.11Å
82	F	58.5	Low	60.4	Low	194 Å²	194	85.2 Å²	85.2	85%	0.851	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.9	179	-46.4	-73.9	0	0	0	114.3	R84	F82-R84 PolarHBondContact O-N 3.45Å
83	G	53.8	Low	60.6	Low	30 Å²	30	91.6 Å²	91.6	31%	0.309	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	2.5	-180	0	0	0	0	0	115.3	A81 F101	A81-G83 VanDerWaalsContact C-N 3.27Å; A81-G83 PolarHBondContact O-N 2.8Å; G83-F101 WeakPolarHBondContact O-CZ 3.38Å
84	R	56.1	Low	60.8	Low	200 Å²	200	93.1 Å²	93.1	76%	0.755	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	160.3	173.4	-62.5	-179	-178.3	-91.1	-0.3	109.8	M80 A81 F82 A86	M80-R84 CarbonylContact C-O 3.45Å; M80-R84 VanDerWaalsContact CA-O 3.24Å; M80-R84 WeakPolarHBondContact CA-O 3.43Å; A81-R84 PolarHBondContact N-O 2.86Å; A81-R84 PolarHBondContact O-N 2.79Å; A81-R84 VanDerWaalsContact O-O 3.05Å; F82-R84 PolarHBondContact O-N 3.45Å; R84-A86 PolarHBondContact O-N 3.31Å
85	A	63.8	Low	60.7	Low	26 Å²	26	91.4 Å²	91.4	22%	0.215	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	131	169.8	0	0	0	0	0	108.7	M80 Y89 A91	M80-A85 VanDerWaalsContact SD-CA 3.51Å; M80-A85 HydrophobicContact SD-CB 4.17Å; A85-Y89 VanDerWaalsContact CB-O 3.31Å; A85-Y89 WeakPolarHBondContact CB-O 3.4Å; A85-A91 HydrophobicContact CB-CB 4.18Å
86	A	63.4	Low	60.9	Low	16 Å²	16	87.3 Å²	87.3	13%	0.132	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-58	145.6	175.1	0	0	0	0	0	108.7	K79 A81 R84 G88 Y89	K79-A86 HydrophobicContact CB-CB 4.23Å; K79-A86 WeakPolarHBondContact O-CB 3.35Å; K79-A86 PolarHBondContact O-N 3.28Å; A81-A86 HydrophobicContact CB-CB 4.11Å; R84-A86 PolarHBondContact O-N 3.31Å; A86-G88 PolarHBondContact O-N 3.19Å; A86-G88 VanDerWaalsContact O-N 3.15Å; A86-Y89 HydrophobicContact CB-CD2 3.98Å; A86-Y89 WeakPolarHBondContact O-CB 3.34Å; A86-Y89 PolarHBondContact O-N 3.31Å
87	P	56.6	Low	60.8	Low	69 Å²	69	94.2 Å²	94.2	45%	0.448	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	124.9	178.3	-25.6	33.7	0	0	0	111.5	R68	R68-P87 HydrophobicContact CB-CB 4.27Å; R68-P87 HydrophobicContact CG-CB 3.69Å
88	G	61.2	Low	60.7	Low	19 Å²	19	95.8 Å²	95.8	20%	0.196	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-3.3	-175.7	0	0	0	0	0	115.7	R69 A86	R69-G88 WeakPolarHBondContact O-CA 3.44Å; A86-G88 PolarHBondContact O-N 3.19Å; A86-G88 VanDerWaalsContact O-N 3.15Å
89	Y	62.7	Low	60.4	Low	65 Å²	65	93.6 Å²	93.6	26%	0.255	46%	0.464	S	S	.	.	S	Bend	trans	-110.8	142.9	172.5	-68.8	-95.2	0	0	0	110.5	P77 K79 A85 A86	P77-Y89 WeakPolarHBondContact O-CE1 3.44Å; K79-Y89 HydrophobicContact CB-CD1 4.5Å; K79-Y89 HydrophobicContact CB-CD2 4.22Å; K79-Y89 HydrophobicContact CB-CE1 4.37Å; K79-Y89 HydrophobicContact CB-CE2 4.09Å; K79-Y89 HydrophobicContact CB-CG 4.43Å; K79-Y89 HydrophobicContact CD-CE2 4.29Å; K79-Y89 HydrophobicContact CG-CE1 4.23Å; K79-Y89 HydrophobicContact CG-CE2 4.41Å; A85-Y89 VanDerWaalsContact CB-O 3.31Å; A85-Y89 WeakPolarHBondContact CB-O 3.4Å; A86-Y89 HydrophobicContact CB-CD2 3.98Å; A86-Y89 WeakPolarHBondContact O-CB 3.34Å; A86-Y89 PolarHBondContact O-N 3.31Å
90	Y	63.8	Low	60.1	Low	134 Å²	134	92.6 Å²	92.6	53%	0.525	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-71.6	142	170.8	-70.9	-76.7	0	0	0	110.6	N73 I78	N73-Y90 WeakPolarHBondContact OD1-CE2 3.3Å; N73-Y90 PolarHBondContact OD1-OH 3.03Å; N73-Y90 VanDerWaalsContact OD1-OH 3.06Å; I78-Y90 VanDerWaalsContact CG2-O 3.26Å; I78-Y90 WeakPolarHBondContact CG2-O 3.11Å
91	A	63.9	Low	60	Low	72 Å²	72	92.2 Å²	92.2	60%	0.595	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-64.4	145.7	166.3	0	0	0	0	0	109.9	A85 K93	A85-A91 HydrophobicContact CB-CB 4.18Å; A91-K93 PolarHBondContact O-N 3.16Å
92	Q	63.4	Low	59.8	Low	91 Å²	91	96.6 Å²	96.6	43%	0.425	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-62.4	126.1	176.4	-168.3	174.4	-1.3	0	0	109.4	I78 Y94	I78-Q92 HydrophobicContact CD1-CB 3.73Å; I78-Q92 HydrophobicContact CD1-CG 4.17Å; Q92-Y94 PolarHBondContact NE2-O 3.5Å; Q92-Y94 PolarHBondContact O-N 3.39Å
93	K	62.6	Low	59.8	Low	170 Å²	170	87.8 Å²	87.8	74%	0.739	44%	0.435	S	S	*	.	S	Bend	trans	-60.4	-34.9	-178.8	-172.1	175.7	-179.3	178.4	0	112.5	A91	A91-K93 PolarHBondContact O-N 3.16Å
94	Y	64.2	Low	59.9	Low	171 Å²	171	92.2 Å²	92.2	67%	0.671	46%	0.456	S	S	*	.	S	Bend	trans	-131.7	86.6	177	-53.6	-63.9	0	0	0	109	Q92	Q92-Y94 PolarHBondContact NE2-O 3.5Å; Q92-Y94 PolarHBondContact O-N 3.39Å
95	P	62.5	Low	59.9	Low	80 Å²	80	83.7 Å²	83.7	52%	0.519	43%	0.428	S	S	.	.			trans	-62.1	147.9	171.5	27.7	-32.8	0	0	0	109.4	K97	P95-K97 PolarHBondContact O-N 3.34Å
96	S	61.2	Low	59.6	Low	43 Å²	43	86.8 Å²	86.8	30%	0.301	44%	0.441	S	S	.	.			trans	-51.6	127.3	172.7	173	0	0	0	0	109.4	T99	S96-T99 VanDerWaalsContact CB-O 3.24Å; S96-T99 WeakPolarHBondContact CB-O 3.37Å; S96-T99 VanDerWaalsContact O-O 3.12Å; S96-T99 PolarHBondContact OG-N 2.92Å; S96-T99 VanDerWaalsContact OG-N 3.16Å; S96-T99 PolarHBondContact OG-O 3.15Å; S96-T99 PolarHBondContact OG-OG1 3.12Å
97	K	59.9	Low	59.3	Low	194 Å²	194	88.5 Å²	88.5	84%	0.843	45%	0.446	S	S	*	.	S	Bend	trans	-77.6	-28.6	178.6	-68.6	-174.3	-179.5	179	0	111.8	P95	P95-K97 PolarHBondContact O-N 3.34Å
98	E	57.4	Low	59.2	Low	144 Å²	144	95.2 Å²	95.2	67%	0.673	46%	0.462	S	S	*	.	S	Bend	trans	-93.5	-25.6	-170.8	-66.5	178.5	-179	0	0	112.3	L106 H107	E98-L106 HydrophobicContact CB-CD2 4.29Å; E98-L106 CarbonylContact O-C 3.52Å; E98-L106 WeakPolarHBondContact O-CA 3.04Å; E98-L106 WeakPolarHBondContact O-CD2 3.48Å; E98-H107 VanDerWaalsContact O-CB 3.3Å; E98-H107 WeakPolarHBondContact O-CB 3.24Å; E98-H107 PolarHBondContact O-N 3.42Å
99	T	56.7	Low	58.8	Low	25 Å²	25	99.3 Å²	99.3	15%	0.153	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-135.7	139.2	-178.4	56.9	0	0	0	0	109	S96 F101 S103 L106	S96-T99 VanDerWaalsContact CB-O 3.24Å; S96-T99 WeakPolarHBondContact CB-O 3.37Å; S96-T99 VanDerWaalsContact O-O 3.12Å; S96-T99 PolarHBondContact OG-N 2.92Å; S96-T99 VanDerWaalsContact OG-N 3.16Å; S96-T99 PolarHBondContact OG-O 3.15Å; S96-T99 PolarHBondContact OG-OG1 3.12Å; T99-F101 PolarHBondContact O-N 3.35Å; T99-S103 VanDerWaalsContact CB-O 3.27Å; T99-S103 WeakPolarHBondContact CB-O 3.41Å; T99-S103 VanDerWaalsContact CG2-O 3.32Å; T99-S103 WeakPolarHBondContact CG2-O 3.32Å; T99-L106 HydrophobicContact CG2-CD2 4.22Å
100	W	55.6	Low	58.4	Low	105 Å²	105	101.2 Å²	101.2	40%	0.398	49%	0.49	S	S	.	.	S	Bend	trans	-72.7	121.3	170.3	-80.1	114.6	0	0	0	109.3	N102 S103 H107 E144	W100-N102 PolarHBondContact O-N 3.11Å; W100-S103 VanDerWaalsContact O-CB 3.23Å; W100-S103 WeakPolarHBondContact O-CB 3.23Å; W100-S103 PolarHBondContact O-N 3.22Å; W100-H107 AromaticContact CD1-CE1 3.72Å; W100-H107 AromaticContact CD1-CG 3.61Å; W100-H107 AromaticContact CD1-ND1 3.04Å; W100-H107 AromaticContact CD2-CE1 3.4Å; W100-H107 VanDerWaalsContact CD2-CE1 3.4Å; W100-H107 AromaticContact CD2-ND1 3.19Å; W100-H107 AromaticContact CE2-CE1 2.86Å; W100-H107 AromaticContact CE2-ND1 3.04Å; W100-H107 AromaticContact CE2-NE2 3.81Å; W100-H107 AromaticContact CG-CE1 3.94Å; W100-H107 AromaticContact CG-ND1 3.24Å; W100-H107 AromaticContact CH2-CE1 3.7Å; W100-H107 AromaticContact CZ2-CE1 3.04Å; W100-H107 WeakPolarHBondContact CZ2-CE1 3.38Å; W100-H107 AromaticContact CZ2-ND1 3.75Å; W100-H107 AromaticContact CZ2-NE2 3.83Å; W100-H107 AromaticContact NE1-CE1 3.08Å; W100-H107 PolarHBondContact NE1-CE1 3Å; W100-H107 AromaticContact NE1-CG 3.57Å; W100-H107 AromaticContact NE1-ND1 2.92Å; W100-H107 PolarHBondContact NE1-ND1 2.91Å; W100-H107 AromaticContact NE1-NE2 3.76Å; W100-E144 HydrophobicContact CB-CG 4.13Å; W100-E144 WeakPolarHBondContact CB-OE1 3.32Å; W100-E144 VanDerWaalsContact CD1-OE1 3.32Å
101	F	57.6	Low	57.8	Low	52 Å²	52	96.9 Å²	96.9	23%	0.228	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.2	166.1	-47.6	-73.4	0	0	0	115.7	M80 G83 T99 S103 K148	M80-F101 HydrophobicContact CE-CD1 4.02Å; M80-F101 HydrophobicContact CE-CE1 3.5Å; M80-F101 HydrophobicContact CE-CZ 4.47Å; M80-F101 HydrophobicContact CG-CD1 4.31Å; G83-F101 WeakPolarHBondContact O-CZ 3.38Å; T99-F101 PolarHBondContact O-N 3.35Å; F101-S103 PolarHBondContact O-N 3.46Å; F101-K148 HydrophobicContact CB-CD 4.31Å
102	N	51.5	Low	57.3	Low	129 Å²	129	97.9 Å²	97.9	69%	0.69	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	18.2	-177.1	-57.3	-12	0	0	0	114.6	W100	W100-N102 PolarHBondContact O-N 3.11Å
103	S	57.3	Low	56.8	Low	8 Å²	8	96.7 Å²	96.7	6%	0.056	47%	0.468	C	S	.	.			trans	-59.9	147.4	167.8	-178.9	0	0	0	0	109.7	T99 W100 F101 A105 D147	T99-S103 VanDerWaalsContact CB-O 3.27Å; T99-S103 WeakPolarHBondContact CB-O 3.41Å; T99-S103 VanDerWaalsContact CG2-O 3.32Å; T99-S103 WeakPolarHBondContact CG2-O 3.32Å; W100-S103 VanDerWaalsContact O-CB 3.23Å; W100-S103 WeakPolarHBondContact O-CB 3.23Å; W100-S103 PolarHBondContact O-N 3.22Å; F101-S103 PolarHBondContact O-N 3.46Å; S103-A105 PolarHBondContact O-N 3.23Å; S103-A105 WeakPolarHBondContact OG-CB 3.27Å; S103-A105 PolarHBondContact OG-N 3.07Å; S103-D147 WeakPolarHBondContact CA-OD2 3.43Å; S103-D147 WeakPolarHBondContact CB-OD2 3.49Å; S103-D147 PolarHBondContact OG-OD2 3.2Å
104	T	56.8	Low	56.4	Low	124 Å²	124	99.4 Å²	99.4	76%	0.761	47%	0.474	S	S	*	.	S	Bend	trans	-69.3	-16.3	167.6	56.4	0	0	0	0	111.6	D147	T104-D147 PolarHBondContact N-OD2 3.04Å; T104-D147 PolarHBondContact OG1-OD2 2.98Å; T104-D147 VanDerWaalsContact OG1-OD2 3.13Å
105	A	56.5	Low	56	Low	21 Å²	21	94.4 Å²	94.4	17%	0.174	46%	0.456	C	S	.	.	S	Bend	trans	-82.2	131.2	175.2	0	0	0	0	0	112	S103	S103-A105 PolarHBondContact O-N 3.23Å; S103-A105 WeakPolarHBondContact OG-CB 3.27Å; S103-A105 PolarHBondContact OG-N 3.07Å
106	L	57.6	Low	55.9	Low	91 Å²	91	97.2 Å²	97.2	48%	0.476	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-65.7	137.7	176.2	-75.3	170.8	0	0	0	111.5	E98 T99 R108 H109	E98-L106 HydrophobicContact CB-CD2 4.29Å; E98-L106 CarbonylContact O-C 3.52Å; E98-L106 WeakPolarHBondContact O-CA 3.04Å; E98-L106 WeakPolarHBondContact O-CD2 3.48Å; T99-L106 HydrophobicContact CG2-CD2 4.22Å; L106-R108 PolarHBondContact O-N 3.15Å; L106-H109 HydrophobicContact CB-CB 3.55Å; L106-H109 VanDerWaalsContact O-CB 3.22Å; L106-H109 WeakPolarHBondContact O-CB 3.14Å; L106-H109 PolarHBondContact O-N 3.46Å
107	H	56.1	Low	55.9	Low	52 Å²	52	96.4 Å²	96.4	24%	0.241	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	126.8	173.9	-171.5	106.7	0	0	0	109.8	E98 W100 H109	E98-H107 VanDerWaalsContact O-CB 3.3Å; E98-H107 WeakPolarHBondContact O-CB 3.24Å; E98-H107 PolarHBondContact O-N 3.42Å; W100-H107 AromaticContact CD1-CE1 3.72Å; W100-H107 AromaticContact CD1-CG 3.61Å; W100-H107 AromaticContact CD1-ND1 3.04Å; W100-H107 AromaticContact CD2-CE1 3.4Å; W100-H107 VanDerWaalsContact CD2-CE1 3.4Å; W100-H107 AromaticContact CD2-ND1 3.19Å; W100-H107 AromaticContact CE2-CE1 2.86Å; W100-H107 AromaticContact CE2-ND1 3.04Å; W100-H107 AromaticContact CE2-NE2 3.81Å; W100-H107 AromaticContact CG-CE1 3.94Å; W100-H107 AromaticContact CG-ND1 3.24Å; W100-H107 AromaticContact CH2-CE1 3.7Å; W100-H107 AromaticContact CZ2-CE1 3.04Å; W100-H107 WeakPolarHBondContact CZ2-CE1 3.38Å; W100-H107 AromaticContact CZ2-ND1 3.75Å; W100-H107 AromaticContact CZ2-NE2 3.83Å; W100-H107 AromaticContact NE1-CE1 3.08Å; W100-H107 PolarHBondContact NE1-CE1 3Å; W100-H107 AromaticContact NE1-CG 3.57Å; W100-H107 AromaticContact NE1-ND1 2.92Å; W100-H107 PolarHBondContact NE1-ND1 2.91Å; W100-H107 AromaticContact NE1-NE2 3.76Å; H107-H109 PolarHBondContact O-N 3.27Å
108	R	54.5	Low	56.1	Low	209 Å²	209	98.1 Å²	98.1	79%	0.789	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	9.1	-172.6	-58.1	165.5	-178.8	-164.7	-2.5	115.2	L106 I110	L106-R108 PolarHBondContact O-N 3.15Å; R108-I110 PolarHBondContact O-N 3.31Å
109	H	53.4	Low	56.8	Low	105 Å²	105	93.4 Å²	93.4	49%	0.486	45%	0.451	S	S	.	.			trans	-77.8	67.3	165.9	-157.5	-83.9	0	0	0	108.8	L106 H107 P111 E141	L106-H109 HydrophobicContact CB-CB 3.55Å; L106-H109 VanDerWaalsContact O-CB 3.22Å; L106-H109 WeakPolarHBondContact O-CB 3.14Å; L106-H109 PolarHBondContact O-N 3.46Å; H107-H109 PolarHBondContact O-N 3.27Å; H109-P111 VanDerWaalsContact O-CD 3.28Å; H109-P111 WeakPolarHBondContact O-CD 3.36Å; H109-E141 IonicContact CE1-OE2 2.62Å; H109-E141 IonicContact ND1-OE2 3.98Å
110	I	54.5	Low	57.5	Low	106 Å²	106	101.7 Å²	101.7	54%	0.544	48%	0.479	S	S	.	.			trans	-102.2	103.3	173	-56.4	171.1	0	0	0	105.1	R108 I112	R108-I110 PolarHBondContact O-N 3.31Å; I110-I112 HydrophobicContact CG2-CB 3.52Å; I110-I112 HydrophobicContact CG2-CD1 3.22Å; I110-I112 HydrophobicContact CG2-CG1 3.11Å; I110-I112 PolarHBondContact O-N 3.16Å
111	P	51.2	Low	58.7	Low	42 Å²	42	101 Å²	101	27%	0.273	48%	0.484	S	S	.	.			trans	-77.7	58.1	157.9	35.8	-34.2	0	0	0	108.8	H109 I113 Y135	H109-P111 VanDerWaalsContact O-CD 3.28Å; H109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-I113 PolarHBondContact O-N 3.4Å; P111-Y135 HydrophobicContact CB-CE1 3.53Å; P111-Y135 VanDerWaalsContact CB-CZ 3.44Å; P111-Y135 WeakPolarHBondContact CB-OH 3.48Å; P111-Y135 HydrophobicContact CG-CE1 3.6Å; P111-Y135 WeakPolarHBondContact CG-OH 3.46Å; P111-Y135 WeakPolarHBondContact O-CE1 3.24Å
112	I	52.5	Low	59.9	Low	93 Å²	93	104.3 Å²	104.3	48%	0.477	50%	0.503	S	S	.	.			trans	-71.6	96.8	152.9	-73.5	158.6	0	0	0	101.9	I110 R114	I110-I112 HydrophobicContact CG2-CB 3.52Å; I110-I112 HydrophobicContact CG2-CD1 3.22Å; I110-I112 HydrophobicContact CG2-CG1 3.11Å; I110-I112 PolarHBondContact O-N 3.16Å; I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 HydrophobicContact CG2-CG 4.23Å; I112-R114 PolarHBondContact O-N 2.78Å
113	I	53.1	Low	61.2	Low	67 Å²	67	103.1 Å²	103.1	34%	0.344	50%	0.496	S	S	.	.			trans	-53.9	108.9	158	-59.6	169.7	0	0	0	103.9	P111 F115 Y135	P111-I113 PolarHBondContact O-N 3.4Å; I113-F115 HydrophobicContact CB-CD2 4Å; I113-F115 HydrophobicContact CB-CE2 3.58Å; I113-F115 HydrophobicContact CB-CZ 3.9Å; I113-F115 HydrophobicContact CD1-CE2 4.17Å; I113-F115 HydrophobicContact CD1-CZ 3.94Å; I113-F115 HydrophobicContact CG1-CE2 4.48Å; I113-F115 HydrophobicContact CG2-CD1 3.88Å; I113-F115 HydrophobicContact CG2-CD2 3.75Å; I113-F115 HydrophobicContact CG2-CE1 3.6Å; I113-F115 HydrophobicContact CG2-CE2 3.48Å; I113-F115 VanDerWaalsContact CG2-CE2 3.48Å; I113-F115 HydrophobicContact CG2-CG 3.96Å; I113-F115 HydrophobicContact CG2-CZ 3.4Å; I113-F115 VanDerWaalsContact CG2-CZ 3.4Å; I113-F115 PolarHBondContact O-N 3.14Å; I113-Y135 HydrophobicContact CD1-CD1 4.15Å; I113-Y135 HydrophobicContact CD1-CD2 3.57Å; I113-Y135 HydrophobicContact CD1-CE2 4Å; I113-Y135 HydrophobicContact CD1-CG 3.65Å
114	R	54.2	Low	62.2	Low	227 Å²	227	104.9 Å²	104.9	86%	0.857	51%	0.505	S	S	*	.			trans	-74.4	85.5	171.6	-69.2	-172.3	-178.7	-168.3	0.6	105.5	I112 N116	I112-R114 VanDerWaalsContact C-N 3.27Å; I112-R114 HydrophobicContact CG2-CG 4.23Å; I112-R114 PolarHBondContact O-N 2.78Å; R114-N116 PolarHBondContact O-N 3.23Å; R114-N116 VanDerWaalsContact O-N 3.08Å
115	F	56.3	Low	63	Low	65 Å²	65	104.9 Å²	104.9	29%	0.285	49%	0.492	S	S	.	.			trans	-64.4	109.3	162.9	-64.9	-75.3	0	0	0	106.1	I113 P117 D128 E131	I113-F115 HydrophobicContact CB-CD2 4Å; I113-F115 HydrophobicContact CB-CE2 3.58Å; I113-F115 HydrophobicContact CB-CZ 3.9Å; I113-F115 HydrophobicContact CD1-CE2 4.17Å; I113-F115 HydrophobicContact CD1-CZ 3.94Å; I113-F115 HydrophobicContact CG1-CE2 4.48Å; I113-F115 HydrophobicContact CG2-CD1 3.88Å; I113-F115 HydrophobicContact CG2-CD2 3.75Å; I113-F115 HydrophobicContact CG2-CE1 3.6Å; I113-F115 HydrophobicContact CG2-CE2 3.48Å; I113-F115 VanDerWaalsContact CG2-CE2 3.48Å; I113-F115 HydrophobicContact CG2-CG 3.96Å; I113-F115 HydrophobicContact CG2-CZ 3.4Å; I113-F115 VanDerWaalsContact CG2-CZ 3.4Å; I113-F115 PolarHBondContact O-N 3.14Å; F115-P117 VanDerWaalsContact O-CD 3.25Å; F115-P117 WeakPolarHBondContact O-CD 3.31Å; F115-D128 HydrophobicContact CB-CB 3.99Å; F115-D128 VanDerWaalsContact CB-CG 3.48Å; F115-D128 HydrophobicContact CD2-CB 4.32Å; F115-D128 HydrophobicContact CG-CB 4.18Å; F115-E131 HydrophobicContact CE1-CB 4.44Å; F115-E131 WeakPolarHBondContact CE1-OE2 3.45Å; F115-E131 HydrophobicContact CE2-CB 4.27Å; F115-E131 HydrophobicContact CZ-CB 3.83Å; F115-E131 VanDerWaalsContact CZ-OE2 3.31Å; F115-E131 WeakPolarHBondContact CZ-OE2 3.46Å
116	N	59.6	Low	64	Low	139 Å²	139	109.3 Å²	109.3	74%	0.743	51%	0.508	S	S	*	.			trans	-104.6	88	170.9	-172.3	28.3	0	0	0	105.9	R114	R114-N116 PolarHBondContact O-N 3.23Å; R114-N116 VanDerWaalsContact O-N 3.08Å
117	P	61.6	Low	65.1	Low	27 Å²	27	109.5 Å²	109.5	18%	0.175	51%	0.509	C	S	.	.			trans	-64.7	140.2	-177.3	28.2	-35.2	0	0	0	109.3	F115 S119 N124	F115-P117 VanDerWaalsContact O-CD 3.25Å; F115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-S119 WeakPolarHBondContact CB-O 3.26Å; P117-S119 PolarHBondContact O-N 2.98Å; P117-N124 HydrophobicContact CB-CB 3.94Å
118	F	63.4	Low	66	Low	230 Å²	230	108.5 Å²	108.5	100%	1.009	51%	0.506	S	S	*	.	S	Bend	trans	-60.7	-27.8	178.9	-74.9	-81.7	0	0	0	112.3
119	S	72.6	Confident	66.9	Low	45 Å²	45	102 Å²	102	32%	0.315	49%	0.487	S	S	.	.	S	Bend	trans	-129.1	143.3	169.7	66.8	0	0	0	0	111.2	P117 D121 N124	P117-S119 WeakPolarHBondContact CB-O 3.26Å; P117-S119 PolarHBondContact O-N 2.98Å; S119-D121 VanDerWaalsContact CB-OD2 3.27Å; S119-D121 WeakPolarHBondContact CB-OD2 3.33Å; S119-D121 PolarHBondContact O-N 3.17Å; S119-D121 VanDerWaalsContact O-N 3.1Å; S119-D121 PolarHBondContact OG-OD2 3.31Å; S119-N124 PolarHBondContact O-ND2 2.88Å; S119-N124 PolarHBondContact OG-ND2 3.44Å
120	R	71.8	Confident	68.1	Low	199 Å²	199	100.9 Å²	100.9	75%	0.751	48%	0.484	S	S	*	.			trans	-87.3	50.6	179.1	-66.3	-175.7	179.4	175.1	-0.1	111.5	Y125	R120-Y125 HydrophobicContact CB-CE2 4.18Å
121	D	81.4	Confident	69.1	Low	91 Å²	91	100.5 Å²	100.5	49%	0.487	48%	0.48	S	S	.	.			trans	-89.5	150.8	178.5	-58.8	-36.4	0	0	0	110.7	S119 D123 N124 Y125	S119-D121 VanDerWaalsContact CB-OD2 3.27Å; S119-D121 WeakPolarHBondContact CB-OD2 3.33Å; S119-D121 PolarHBondContact O-N 3.17Å; S119-D121 VanDerWaalsContact O-N 3.1Å; S119-D121 PolarHBondContact OG-OD2 3.31Å; D121-D123 PolarHBondContact O-N 3.43Å; D121-N124 WeakPolarHBondContact O-CB 3.44Å; D121-N124 PolarHBondContact O-N 3.21Å; D121-N124 VanDerWaalsContact O-N 3.09Å; D121-Y125 WeakPolarHBondContact O-CD2 3.31Å; D121-Y125 PolarHBondContact O-N 3.45Å
122	L	81.4	Confident	70	Confident	120 Å²	120	101.9 Å²	101.9	63%	0.628	48%	0.48	S	S	*	.	H	α-helix	trans	-59.1	-34.9	-176.3	-174.6	66.1	0	0	0	112.5	N124 Y125 K126	L122-N124 VanDerWaalsContact C-N 3.34Å; L122-Y125 PolarHBondContact O-N 2.97Å; L122-K126 WeakPolarHBondContact O-CG 3.17Å; L122-K126 PolarHBondContact O-N 2.87Å; L122-K126 VanDerWaalsContact O-N 3.08Å
123	D	80.3	Confident	70.8	Confident	104 Å²	104	102.7 Å²	102.7	56%	0.556	48%	0.48	S	S	*	.	H	α-helix	trans	-68.3	-35.6	179.3	-64.8	-28.2	0	0	0	111.7	D121 K126 N127	D121-D123 PolarHBondContact O-N 3.43Å; D123-K126 PolarHBondContact O-N 2.9Å; D123-N127 VanDerWaalsContact O-CG 3.24Å; D123-N127 PolarHBondContact O-N 3.12Å; D123-N127 PolarHBondContact O-ND2 3.44Å
124	N	77.9	Confident	71.9	Confident	46 Å²	46	105.8 Å²	105.8	25%	0.246	49%	0.491	C	S	.	.	H	α-helix	trans	-66.9	-42.6	174.4	-69.1	-15.2	0	0	0	111.3	P117 S119 D121 L122 K126 N127 D128	P117-N124 HydrophobicContact CB-CB 3.94Å; S119-N124 PolarHBondContact O-ND2 2.88Å; S119-N124 PolarHBondContact OG-ND2 3.44Å; D121-N124 WeakPolarHBondContact O-CB 3.44Å; D121-N124 PolarHBondContact O-N 3.21Å; D121-N124 VanDerWaalsContact O-N 3.09Å; L122-N124 VanDerWaalsContact C-N 3.34Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 3.39Å; N124-N127 PolarHBondContact O-N 3.39Å; N124-D128 WeakPolarHBondContact O-CB 3.34Å; N124-D128 VanDerWaalsContact O-CG 3.24Å; N124-D128 PolarHBondContact O-N 3.28Å
125	Y	72.7	Confident	72.5	Confident	123 Å²	123	97.3 Å²	97.3	48%	0.482	46%	0.46	S	S	.	.	H	α-helix	trans	-59.7	-40.6	175.1	-83.9	-72.7	0	0	0	112.8	R120 D121 L122 D129	R120-Y125 HydrophobicContact CB-CE2 4.18Å; D121-Y125 WeakPolarHBondContact O-CD2 3.31Å; D121-Y125 PolarHBondContact O-N 3.45Å; L122-Y125 PolarHBondContact O-N 2.97Å; Y125-D129 VanDerWaalsContact O-CB 3.3Å; Y125-D129 WeakPolarHBondContact O-CB 3.27Å; Y125-D129 PolarHBondContact O-N 3.33Å
126	K	78.9	Confident	72.9	Confident	114 Å²	114	97.4 Å²	97.4	50%	0.496	46%	0.463	S	S	.	.	H	α-helix	trans	-65.1	-43.4	176.5	-74.3	175.4	-179.4	172.7	0	111.7	L122 D123 N124 D129 D130	L122-K126 WeakPolarHBondContact O-CG 3.17Å; L122-K126 PolarHBondContact O-N 2.87Å; L122-K126 VanDerWaalsContact O-N 3.08Å; D123-K126 PolarHBondContact O-N 2.9Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 3.39Å; K126-D129 PolarHBondContact O-N 2.92Å; K126-D130 PolarHBondContact O-N 3.4Å
127	N	80.3	Confident	73.2	Confident	95 Å²	95	97.1 Å²	97.1	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-64	-44.9	177.9	-69.4	-23.6	0	0	0	111.7	D123 N124 D129 D130 E131	D123-N127 VanDerWaalsContact O-CG 3.24Å; D123-N127 PolarHBondContact O-N 3.12Å; D123-N127 PolarHBondContact O-ND2 3.44Å; N124-N127 PolarHBondContact O-N 3.39Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 3.27Å; N127-D130 PolarHBondContact O-N 3.25Å; N127-E131 PolarHBondContact O-N 3.26Å
128	D	74.5	Confident	73.5	Confident	32 Å²	32	104.6 Å²	104.6	17%	0.171	48%	0.477	C	S	.	.	H	α-helix	trans	-63	-40	177.6	-69.9	-16.4	0	0	0	111.5	F115 N124 E131 Y132	F115-D128 HydrophobicContact CB-CB 3.99Å; F115-D128 VanDerWaalsContact CB-CG 3.48Å; F115-D128 HydrophobicContact CD2-CB 4.32Å; F115-D128 HydrophobicContact CG-CB 4.18Å; N124-D128 WeakPolarHBondContact O-CB 3.34Å; N124-D128 VanDerWaalsContact O-CG 3.24Å; N124-D128 PolarHBondContact O-N 3.28Å; D128-E131 PolarHBondContact O-N 3.08Å; D128-Y132 VanDerWaalsContact O-CB 3.23Å; D128-Y132 WeakPolarHBondContact O-CB 3.12Å; D128-Y132 PolarHBondContact O-N 3.2Å
129	D	73.3	Confident	73.5	Confident	73 Å²	73	95.1 Å²	95.1	39%	0.39	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-42.2	175.7	-177.2	54.9	0	0	0	111.8	Y125 K126 N127 Y132 K133	Y125-D129 VanDerWaalsContact O-CB 3.3Å; Y125-D129 WeakPolarHBondContact O-CB 3.27Å; Y125-D129 PolarHBondContact O-N 3.33Å; K126-D129 PolarHBondContact O-N 2.92Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 3.27Å; D129-Y132 PolarHBondContact O-N 2.69Å; D129-K133 WeakPolarHBondContact O-CB 3.48Å; D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.26Å; D129-K133 PolarHBondContact O-N 2.91Å; D129-K133 IonicContact OD1-NZ 2.75Å; D129-K133 WeakPolarHBondContact OD2-CE 3.45Å; D129-K133 IonicContact OD2-NZ 3.35Å; D129-K133 PolarHBondContact OD2-NZ 3.15Å
130	D	78.9	Confident	72.9	Confident	81 Å²	81	98.4 Å²	98.4	43%	0.433	45%	0.452	S	S	.	.	H	α-helix	trans	-66.2	-40.1	175.5	-80.6	-13.6	0	0	0	112.3	K126 N127 K133 K134	K126-D130 PolarHBondContact O-N 3.4Å; N127-D130 PolarHBondContact O-N 3.25Å; D130-K133 PolarHBondContact O-N 2.94Å; D130-K134 VanDerWaalsContact O-CG 3.29Å; D130-K134 WeakPolarHBondContact O-CG 3.48Å; D130-K134 PolarHBondContact O-N 3.25Å
131	E	75.9	Confident	72.2	Confident	97 Å²	97	94.6 Å²	94.6	45%	0.453	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-41.9	172.8	-75.4	-151.2	159.3	0	0	112.1	F115 N127 D128 K134 Y135	F115-E131 HydrophobicContact CE1-CB 4.44Å; F115-E131 WeakPolarHBondContact CE1-OE2 3.45Å; F115-E131 HydrophobicContact CE2-CB 4.27Å; F115-E131 HydrophobicContact CZ-CB 3.83Å; F115-E131 VanDerWaalsContact CZ-OE2 3.31Å; F115-E131 WeakPolarHBondContact CZ-OE2 3.46Å; N127-E131 PolarHBondContact O-N 3.26Å; D128-E131 PolarHBondContact O-N 3.08Å; E131-K134 PolarHBondContact O-N 3.27Å; E131-Y135 VanDerWaalsContact O-CB 3.31Å; E131-Y135 WeakPolarHBondContact O-CB 3.02Å; E131-Y135 PolarHBondContact O-N 3.15Å
132	Y	69.2	Low	71.2	Confident	72 Å²	72	93.1 Å²	93.1	28%	0.282	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-43.5	176.4	-177.2	-113.4	0	0	0	111.4	D128 D129 K134 Y135 L136	D128-Y132 VanDerWaalsContact O-CB 3.23Å; D128-Y132 WeakPolarHBondContact O-CB 3.12Å; D128-Y132 PolarHBondContact O-N 3.2Å; D129-Y132 PolarHBondContact O-N 2.69Å; Y132-K134 PolarHBondContact O-N 2.98Å; Y132-Y135 WeakPolarHBondContact O-CB 3.32Å; Y132-Y135 PolarHBondContact O-N 3.38Å; Y132-L136 HydrophobicContact CD1-CD1 3.93Å; Y132-L136 HydrophobicContact CD1-CG 4.42Å; Y132-L136 HydrophobicContact CE1-CD1 3.45Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.45Å; Y132-L136 HydrophobicContact CE1-CG 4.06Å; Y132-L136 HydrophobicContact CE2-CD2 4.33Å; Y132-L136 HydrophobicContact CE2-CG 4.26Å; Y132-L136 WeakPolarHBondContact O-CG 2.91Å; Y132-L136 PolarHBondContact O-N 3.14Å
133	K	69.9	Low	70.2	Confident	110 Å²	110	90 Å²	90	48%	0.478	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-45.2	173	-74.2	167.1	-179	160.3	0	112.1	D129 D130 Y135 L136 Y137	D129-K133 WeakPolarHBondContact O-CB 3.48Å; D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.26Å; D129-K133 PolarHBondContact O-N 2.91Å; D129-K133 IonicContact OD1-NZ 2.75Å; D129-K133 WeakPolarHBondContact OD2-CE 3.45Å; D129-K133 IonicContact OD2-NZ 3.35Å; D129-K133 PolarHBondContact OD2-NZ 3.15Å; D130-K133 PolarHBondContact O-N 2.94Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.27Å; K133-L136 PolarHBondContact O-N 3.38Å; K133-Y137 PolarHBondContact O-N 2.72Å
134	K	75.6	Confident	69	Low	131 Å²	131	88.3 Å²	88.3	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-34.8	174.8	-73.6	170.2	-173.4	168.4	0	112.1	D130 E131 Y132 R138	D130-K134 VanDerWaalsContact O-CG 3.29Å; D130-K134 WeakPolarHBondContact O-CG 3.48Å; D130-K134 PolarHBondContact O-N 3.25Å; E131-K134 PolarHBondContact O-N 3.27Å; Y132-K134 PolarHBondContact O-N 2.98Å; K134-R138 WeakPolarHBondContact O-CG 3.32Å; K134-R138 PolarHBondContact O-N 3.06Å; K134-R138 PolarHBondContact O-NE 2.68Å
135	Y	68.1	Low	67.9	Low	50 Å²	50	93.2 Å²	93.2	20%	0.196	43%	0.425	C	S	.	.	H	α-helix	trans	-67.3	-50.6	175.9	175.2	-99.9	0	0	0	111.1	P111 I113 E131 Y132 K133 Y137 R138 V139	P111-Y135 HydrophobicContact CB-CE1 3.53Å; P111-Y135 VanDerWaalsContact CB-CZ 3.44Å; P111-Y135 WeakPolarHBondContact CB-OH 3.48Å; P111-Y135 HydrophobicContact CG-CE1 3.6Å; P111-Y135 WeakPolarHBondContact CG-OH 3.46Å; P111-Y135 WeakPolarHBondContact O-CE1 3.24Å; I113-Y135 HydrophobicContact CD1-CD1 4.15Å; I113-Y135 HydrophobicContact CD1-CD2 3.57Å; I113-Y135 HydrophobicContact CD1-CE2 4Å; I113-Y135 HydrophobicContact CD1-CG 3.65Å; E131-Y135 VanDerWaalsContact O-CB 3.31Å; E131-Y135 WeakPolarHBondContact O-CB 3.02Å; E131-Y135 PolarHBondContact O-N 3.15Å; Y132-Y135 WeakPolarHBondContact O-CB 3.32Å; Y132-Y135 PolarHBondContact O-N 3.38Å; K133-Y135 VanDerWaalsContact C-N 3.27Å; K133-Y135 PolarHBondContact O-N 3.27Å; Y135-Y137 PolarHBondContact O-N 3.33Å; Y135-R138 WeakPolarHBondContact O-CB 3.36Å; Y135-R138 PolarHBondContact O-N 3.36Å; Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.13Å; Y135-V139 HydrophobicContact CE1-CB 4.5Å; Y135-V139 HydrophobicContact CE1-CG2 3.67Å; Y135-V139 HydrophobicContact CE2-CG2 3.52Å; Y135-V139 HydrophobicContact CG-CG2 4.46Å; Y135-V139 WeakPolarHBondContact O-CG2 3.44Å; Y135-V139 PolarHBondContact O-N 2.92Å; Y135-V139 VanDerWaalsContact OH-CG2 3.26Å; Y135-V139 WeakPolarHBondContact OH-CG2 3.44Å
136	L	64.4	Low	67.2	Low	67 Å²	67	90.7 Å²	90.7	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-57.2	-33.2	174.2	-71.4	178.1	0	0	0	112.4	Y132 K133	Y132-L136 HydrophobicContact CD1-CD1 3.93Å; Y132-L136 HydrophobicContact CD1-CG 4.42Å; Y132-L136 HydrophobicContact CE1-CD1 3.45Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.45Å; Y132-L136 HydrophobicContact CE1-CG 4.06Å; Y132-L136 HydrophobicContact CE2-CD2 4.33Å; Y132-L136 HydrophobicContact CE2-CG 4.26Å; Y132-L136 WeakPolarHBondContact O-CG 2.91Å; Y132-L136 PolarHBondContact O-N 3.14Å; K133-L136 PolarHBondContact O-N 3.38Å
137	Y	66.3	Low	66.2	Low	133 Å²	133	87.4 Å²	87.4	52%	0.522	41%	0.406	S	S	.	.	H	α-helix	trans	-72.3	-28.6	175.6	-143.7	-78.3	0	0	0	113.3	K133 Y135 L156	K133-Y137 PolarHBondContact O-N 2.72Å; Y135-Y137 PolarHBondContact O-N 3.33Å; Y137-L156 HydrophobicContact CD2-CD1 4.5Å; Y137-L156 HydrophobicContact CE2-CB 4.32Å; Y137-L156 HydrophobicContact CE2-CD1 3.67Å
138	R	67.6	Low	64.9	Low	183 Å²	183	85.7 Å²	85.7	69%	0.691	39%	0.394	S	S	*	.	H	α-helix	trans	-80	-37.6	176.8	-79.6	-177.4	-81.7	-179.3	-4.1	111.7	K134 Y135 N140	K134-R138 WeakPolarHBondContact O-CG 3.32Å; K134-R138 PolarHBondContact O-N 3.06Å; K134-R138 PolarHBondContact O-NE 2.68Å; Y135-R138 WeakPolarHBondContact O-CB 3.36Å; Y135-R138 PolarHBondContact O-N 3.36Å; R138-N140 PolarHBondContact O-N 3.26Å
139	V	62.2	Low	63.9	Low	31 Å²	31	89.2 Å²	89.2	19%	0.188	41%	0.405	C	S	.	.			trans	-80.3	98	177.1	178.7	0	0	0	0	108.2	Y135 E141	Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.13Å; Y135-V139 HydrophobicContact CE1-CB 4.5Å; Y135-V139 HydrophobicContact CE1-CG2 3.67Å; Y135-V139 HydrophobicContact CE2-CG2 3.52Å; Y135-V139 HydrophobicContact CG-CG2 4.46Å; Y135-V139 WeakPolarHBondContact O-CG2 3.44Å; Y135-V139 PolarHBondContact O-N 2.92Å; Y135-V139 VanDerWaalsContact OH-CG2 3.26Å; Y135-V139 WeakPolarHBondContact OH-CG2 3.44Å; V139-E141 HydrophobicContact CG1-CB 3.56Å; V139-E141 HydrophobicContact CG1-CG 3.78Å; V139-E141 PolarHBondContact O-N 3.27Å
140	N	61.1	Low	63	Low	114 Å²	114	88.7 Å²	88.7	61%	0.61	40%	0.402	S	S	*	.			trans	-69	23.6	170.6	-84.1	-16	0	0	0	112.9	R138	R138-N140 PolarHBondContact O-N 3.26Å
141	E	57.5	Low	61.6	Low	119 Å²	119	88.1 Å²	88.1	56%	0.556	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-100.2	128.5	178.4	-56.6	-179.2	168.1	0	0	108.9	H109 V139 T143	H109-E141 IonicContact CE1-OE2 2.62Å; H109-E141 IonicContact ND1-OE2 3.98Å; V139-E141 HydrophobicContact CG1-CB 3.56Å; V139-E141 HydrophobicContact CG1-CG 3.78Å; V139-E141 PolarHBondContact O-N 3.27Å; E141-T143 PolarHBondContact O-N 3.19Å
142	L	58.8	Low	60	Low	61 Å²	61	92.3 Å²	92.3	32%	0.319	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-65.9	130.9	171.5	-68.5	163.4	0	0	0	107.9	Q146 D147	L142-Q146 HydrophobicContact CB-CB 4.18Å; L142-Q146 HydrophobicContact CD2-CB 3.86Å; L142-D147 HydrophobicContact CB-CB 4.01Å; L142-D147 HydrophobicContact CD1-CB 4.44Å
143	T	60.1	Low	58.8	Low	54 Å²	54	92.9 Å²	92.9	33%	0.331	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-59.6	153.8	164.7	58.9	0	0	0	0	109.6	E141 Y145 Q146 D147	E141-T143 PolarHBondContact O-N 3.19Å; T143-Y145 PolarHBondContact O-N 2.81Å; T143-Y145 VanDerWaalsContact O-N 3.09Å; T143-Q146 WeakPolarHBondContact O-CA 3.47Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.41Å; T143-Q146 WeakPolarHBondContact OG1-CB 3.35Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.41Å; T143-Q146 PolarHBondContact OG1-N 2.9Å; T143-Q146 PolarHBondContact OG1-OE1 2.81Å; T143-D147 PolarHBondContact O-N 3.12Å
144	E	55.5	Low	57.4	Low	69 Å²	69	93 Å²	93	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-48.6	-39.7	176.5	-174.6	-166.7	152.7	0	0	112.6	W100 K148	W100-E144 HydrophobicContact CB-CG 4.13Å; W100-E144 WeakPolarHBondContact CB-OE1 3.32Å; W100-E144 VanDerWaalsContact CD1-OE1 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 3.2Å
145	Y	54.3	Low	56	Low	149 Å²	149	89.6 Å²	89.6	58%	0.584	44%	0.444	S	S	*	.	H	α-helix	trans	-68.1	-39.7	176.5	-175.5	-96.8	0	0	0	112	T143 Y149 L150	T143-Y145 PolarHBondContact O-N 2.81Å; T143-Y145 VanDerWaalsContact O-N 3.09Å; Y145-Y149 AromaticContact CD2-CD2 3.59Å; Y145-Y149 HydrophobicContact CD2-CD2 3.59Å; Y145-Y149 HydrophobicContact CD2-CE2 4.28Å; Y145-Y149 HydrophobicContact CD2-CG 4.31Å; Y145-Y149 AromaticContact CE2-CD2 3.87Å; Y145-Y149 HydrophobicContact CE2-CD2 3.87Å; Y145-Y149 HydrophobicContact CE2-CG 4.19Å; Y145-Y149 HydrophobicContact CG-CD2 4.25Å; Y145-Y149 WeakPolarHBondContact O-CB 3.33Å; Y145-Y149 PolarHBondContact O-N 3Å; Y145-L150 HydrophobicContact CD1-CD1 3.81Å; Y145-L150 HydrophobicContact CD1-CG 4.17Å; Y145-L150 HydrophobicContact CE1-CD1 3.81Å; Y145-L150 HydrophobicContact CE1-CD2 4.4Å; Y145-L150 HydrophobicContact CE1-CG 3.94Å
146	Q	58.7	Low	55.1	Low	69 Å²	69	93.1 Å²	93.1	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-69	-45.4	179.6	-75.8	163.3	-26.1	0	0	112.4	L142 T143 K148 L150	L142-Q146 HydrophobicContact CB-CB 4.18Å; L142-Q146 HydrophobicContact CD2-CB 3.86Å; T143-Q146 WeakPolarHBondContact O-CA 3.47Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.41Å; T143-Q146 WeakPolarHBondContact OG1-CB 3.35Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.41Å; T143-Q146 PolarHBondContact OG1-N 2.9Å; T143-Q146 PolarHBondContact OG1-OE1 2.81Å; Q146-K148 VanDerWaalsContact C-N 3.27Å; Q146-K148 PolarHBondContact O-N 3.43Å; Q146-L150 HydrophobicContact CB-CB 4.44Å; Q146-L150 HydrophobicContact CB-CD1 4.3Å; Q146-L150 HydrophobicContact CG-CD1 3.59Å; Q146-L150 CarbonylContact O-C 3.38Å; Q146-L150 WeakPolarHBondContact O-CA 3.49Å; Q146-L150 WeakPolarHBondContact O-CB 3.04Å; Q146-L150 PolarHBondContact O-N 3.17Å; Q146-L150 VanDerWaalsContact O-N 3.14Å
147	D	58	Low	54.2	Low	45 Å²	45	99.8 Å²	99.8	24%	0.241	49%	0.486	C	S	.	.	H	α-helix	trans	-59.4	-39.9	-180	-166.4	32.8	0	0	0	111.2	S103 T104 L142 T143	S103-D147 WeakPolarHBondContact CA-OD2 3.43Å; S103-D147 WeakPolarHBondContact CB-OD2 3.49Å; S103-D147 PolarHBondContact OG-OD2 3.2Å; T104-D147 PolarHBondContact N-OD2 3.04Å; T104-D147 PolarHBondContact OG1-OD2 2.98Å; T104-D147 VanDerWaalsContact OG1-OD2 3.13Å; L142-D147 HydrophobicContact CB-CB 4.01Å; L142-D147 HydrophobicContact CD1-CB 4.44Å; T143-D147 PolarHBondContact O-N 3.12Å
148	K	54	Low	53.2	Low	59 Å²	59	101 Å²	101	26%	0.257	49%	0.494	S	S	.	.	H	α-helix	trans	-94	-38.9	-172.4	-169.8	174.9	178.3	-169	0	115.3	F101 E144 Q146	F101-K148 HydrophobicContact CB-CD 4.31Å; E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 3.2Å; Q146-K148 VanDerWaalsContact C-N 3.27Å; Q146-K148 PolarHBondContact O-N 3.43Å
149	Y	52.4	Low	52	Low	106 Å²	106	100.8 Å²	100.8	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-111.9	-20.3	-170.1	-60.7	-73.4	0	0	0	113.4	Y145	Y145-Y149 AromaticContact CD2-CD2 3.59Å; Y145-Y149 HydrophobicContact CD2-CD2 3.59Å; Y145-Y149 HydrophobicContact CD2-CE2 4.28Å; Y145-Y149 HydrophobicContact CD2-CG 4.31Å; Y145-Y149 AromaticContact CE2-CD2 3.87Å; Y145-Y149 HydrophobicContact CE2-CD2 3.87Å; Y145-Y149 HydrophobicContact CE2-CG 4.19Å; Y145-Y149 HydrophobicContact CG-CD2 4.25Å; Y145-Y149 WeakPolarHBondContact O-CB 3.33Å; Y145-Y149 PolarHBondContact O-N 3Å
150	L	55.8	Low	51.2	Low	63 Å²	63	106.9 Å²	106.9	33%	0.33	53%	0.531	S	S	.	.			trans	-109.4	24.8	-178.6	-64.5	173.8	0	0	0	112.2	Y145 Q146 H152 T153	Y145-L150 HydrophobicContact CD1-CD1 3.81Å; Y145-L150 HydrophobicContact CD1-CG 4.17Å; Y145-L150 HydrophobicContact CE1-CD1 3.81Å; Y145-L150 HydrophobicContact CE1-CD2 4.4Å; Y145-L150 HydrophobicContact CE1-CG 3.94Å; Q146-L150 HydrophobicContact CB-CB 4.44Å; Q146-L150 HydrophobicContact CB-CD1 4.3Å; Q146-L150 HydrophobicContact CG-CD1 3.59Å; Q146-L150 CarbonylContact O-C 3.38Å; Q146-L150 WeakPolarHBondContact O-CA 3.49Å; Q146-L150 WeakPolarHBondContact O-CB 3.04Å; Q146-L150 PolarHBondContact O-N 3.17Å; Q146-L150 VanDerWaalsContact O-N 3.14Å; L150-H152 PolarHBondContact O-N 2.84Å; L150-T153 WeakPolarHBondContact CB-OG1 3.46Å; L150-T153 PolarHBondContact O-N 2.97Å; L150-T153 PolarHBondContact O-OG1 3.23Å
151	A	49	Very low	50.2	Low	69 Å²	69	114.3 Å²	114.3	57%	0.57	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	3.6	-178.6	0	0	0	0	0	116.9
152	H	41.4	Very low	49.8	Very low	185 Å²	185	114.1 Å²	114.1	86%	0.856	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	1.5	176.5	-57.6	-53	0	0	0	114.3	L150	L150-H152 PolarHBondContact O-N 2.84Å
153	T	43.6	Very low	49.3	Very low	84 Å²	84	116.9 Å²	116.9	52%	0.515	57%	0.57	S	S	.	*	S	Bend	trans	-89	117.4	171.7	-21	0	0	0	0	105.9	L150 S155	L150-T153 WeakPolarHBondContact CB-OG1 3.46Å; L150-T153 PolarHBondContact O-N 2.97Å; L150-T153 PolarHBondContact O-OG1 3.23Å; T153-S155 PolarHBondContact O-N 3.02Å
154	P	41	Very low	48.7	Very low	113 Å²	113	120.4 Å²	120.4	73%	0.734	58%	0.583	S	S	*	*			trans	-57.7	115.1	174.1	23.1	-30	0	0	0	106.7	L156	P154-L156 PolarHBondContact O-N 3.46Å
155	S	46	Very low	48.3	Very low	58 Å²	58	123.4 Å²	123.4	41%	0.406	60%	0.599	S	S	.	*			trans	-51.9	137.1	155.6	49	0	0	0	0	105.5	T153 R157	T153-S155 PolarHBondContact O-N 3.02Å; S155-R157 PolarHBondContact O-N 3.07Å
156	L	49.3	Very low	48	Very low	125 Å²	125	121.8 Å²	121.8	65%	0.654	60%	0.6	S	S	*	*			trans	-65.2	71.4	173.9	-75.3	160	0	0	0	107.6	Y137 P154 K158	Y137-L156 HydrophobicContact CD2-CD1 4.5Å; Y137-L156 HydrophobicContact CE2-CB 4.32Å; Y137-L156 HydrophobicContact CE2-CD1 3.67Å; P154-L156 PolarHBondContact O-N 3.46Å; L156-K158 PolarHBondContact O-N 2.95Å
157	R	46.6	Very low	47.3	Very low	206 Å²	206	125.3 Å²	125.3	78%	0.777	62%	0.618	S	S	*	*			trans	-59.1	108.5	168.5	-82.4	-172.3	176	-175	-0.5	104	S155 Q159	S155-R157 PolarHBondContact O-N 3.07Å; R157-Q159 PolarHBondContact O-N 3.3Å
158	K	45.3	Very low	46.5	Very low	158 Å²	158	131.1 Å²	131.1	69%	0.687	65%	0.645	S	S	*	*			trans	-53.2	110.4	161.8	-154.6	177.4	-173.3	-177.3	0	105.3	L156 I160	L156-K158 PolarHBondContact O-N 2.95Å; K158-I160 PolarHBondContact O-N 3.25Å
159	Q	42.5	Very low	45.9	Very low	179 Å²	179	136.6 Å²	136.6	84%	0.836	68%	0.675	S	S	*	*			trans	-58.3	108.5	167.9	-76.1	-176.5	-8.8	0	0	105.5	R157 K161	R157-Q159 PolarHBondContact O-N 3.3Å; Q159-K161 PolarHBondContact O-N 3.08Å; Q159-K161 VanDerWaalsContact O-N 3.12Å
160	I	45.2	Very low	45.4	Very low	160 Å²	160	139.2 Å²	139.2	82%	0.821	70%	0.697	S	S	*	*			trans	-66.5	110.3	166.5	-59.5	172.4	0	0	0	103.8	K158	K158-I160 PolarHBondContact O-N 3.25Å
161	K	38.9	Very low	44.4	Very low	270 Å²	270	146.1 Å²	146.1	100%	1.174	73%	0.73	S	S	*	*			trans	-68.1	0	162.5	-83.9	-171	178.2	-176	0	109.2	Q159	Q159-K161 PolarHBondContact O-N 3.08Å; Q159-K161 VanDerWaalsContact O-N 3.12Å

Retrieved 161 of 161 residues in 191.7 ms (Link to these results)

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