A0A087XUI5_POEFO Loading...

Calcium binding protein 5b

AlphaFold DB , UniProt , Accession A0A087XUI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 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	31	Very low	33.5	Very low	240 Å²	240	149.7 Å²	149.7	100%	1.182	76%	0.763	S	S	*	*				0	104.8	0	-80	170.8	167.4	0	0	106.1
2	S	34.6	Very low	33.9	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	73%	0.729	S	S	*	*			trans	-78.9	123.3	-168.5	-55.4	0	0	0	0	110.8
3	I	30.7	Very low	33.6	Very low	159 Å²	159	134.4 Å²	134.4	82%	0.815	73%	0.725	S	S	*	*			trans	-98.4	103.2	169.7	-56.4	174.9	0	0	0	105.4
4	K	31	Very low	34.6	Very low	196 Å²	196	132.9 Å²	132.9	85%	0.852	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-81	122	172.9	-66	-170.4	174.2	-165.4	0	107.6
5	Q	31.2	Very low	34.4	Very low	155 Å²	155	135.5 Å²	135.5	72%	0.724	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-101.2	134.6	170.7	-62.7	-170.7	-73.4	0	0	108.8
6	P	32	Very low	35.3	Very low	103 Å²	103	143.3 Å²	143.3	67%	0.669	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-94.1	120.2	168.6	32.4	-23	0	0	0	109.5
7	C	32.2	Very low	35	Very low	125 Å²	125	147.1 Å²	147.1	85%	0.845	76%	0.757	S	S	*	*			trans	-119.5	113.4	168.7	-71.5	0	0	0	0	107.7
8	I	39	Very low	34.8	Very low	94 Å²	94	148.4 Å²	148.4	48%	0.482	76%	0.759	S	S	.	*			trans	-141.3	122	-178	-46.5	-159	0	0	0	101.5	E29	I8-E29 WeakPolarHBondContact CB-OE2 3.26Å; I8-E29 WeakPolarHBondContact CD1-OE1 3.26Å; I8-E29 VanDerWaalsContact CD1-OE2 3.3Å; I8-E29 WeakPolarHBondContact CD1-OE2 3.44Å; I8-E29 WeakPolarHBondContact CG1-OE1 3.5Å; I8-E29 WeakPolarHBondContact CG1-OE2 3.35Å; I8-E29 WeakPolarHBondContact CG2-OE2 3.43Å
9	F	35.3	Very low	34.8	Very low	128 Å²	128	146.4 Å²	146.4	56%	0.561	76%	0.755	S	S	*	*			cis	-168.1	138.5	33.9	-140.4	-124.7	0	0	0	107.8	E26	F9-E26 HydrophobicContact CB-CG 3.9Å; F9-E26 HydrophobicContact CD1-CG 3.58Å; F9-E26 WeakPolarHBondContact CD1-OE1 3.31Å; F9-E26 HydrophobicContact CD2-CG 4.05Å; F9-E26 HydrophobicContact CE1-CG 3.68Å; F9-E26 VanDerWaalsContact CE1-OE1 3.3Å; F9-E26 WeakPolarHBondContact CE1-OE1 3.19Å; F9-E26 VanDerWaalsContact CE1-OE2 3.24Å; F9-E26 WeakPolarHBondContact CE1-OE2 3.3Å; F9-E26 HydrophobicContact CE2-CG 4.13Å; F9-E26 HydrophobicContact CG-CG 3.65Å; F9-E26 WeakPolarHBondContact CG-OE1 3.36Å; F9-E26 HydrophobicContact CZ-CG 3.91Å
10	L	31.9	Very low	35.1	Very low	138 Å²	138	145.4 Å²	145.4	72%	0.723	74%	0.741	S	S	*	*			trans	-139.5	123.8	169.2	-73.6	178	0	0	0	110.8	L95	L10-L95 HydrophobicContact CD2-CD1 3.27Å
11	R	39.8	Very low	35.4	Very low	193 Å²	193	144.7 Å²	144.7	73%	0.728	74%	0.739	S	S	*	*			trans	-155.1	134.5	163.9	-143.8	173.1	-172.5	-145.2	-0.2	109.4	R20	R11-R20 PolarHBondContact O-NH1 3.44Å
12	G	38	Very low	36.3	Very low	35 Å²	35	135.4 Å²	135.4	36%	0.361	69%	0.694	S	S	.	*			trans	-99.4	-165.6	-164	0	0	0	0	0	120.3	R20	G12-R20 PolarHBondContact O-NH1 3.09Å
13	G	29.8	Very low	37	Very low	65 Å²	65	133 Å²	133	67%	0.67	68%	0.675	S	S	*	*			trans	131.2	115.9	157	0	0	0	0	0	118.3
14	A	47.8	Very low	38.1	Very low	113 Å²	113	134.6 Å²	134.6	93%	0.934	67%	0.67	S	S	*	*			trans	-97.2	82.4	168.2	0	0	0	0	0	113.2
15	K	32.1	Very low	38.9	Very low	172 Å²	172	130.8 Å²	130.8	75%	0.748	66%	0.66	S	S	*	*	S	Bend	trans	-100.5	159.3	148.5	-76.7	-176.9	178.5	174.9	0	106.6	R17	K15-R17 HydrophobicContact CB-CB 4.08Å; K15-R17 PolarHBondContact O-N 3.18Å
16	R	47.5	Very low	39.8	Very low	261 Å²	261	124.6 Å²	124.6	99%	0.985	63%	0.631	S	S	*	*	S	Bend	trans	-57.9	86.3	162.5	-95.2	-169.3	179.2	171.8	0.4	108.1
17	R	31.3	Very low	41.2	Very low	207 Å²	207	123.2 Å²	123.2	78%	0.781	62%	0.617	S	S	*	*			trans	-175.4	104.1	-168.6	-124	165.7	133.4	136.5	-4.5	111.6	K15	K15-R17 HydrophobicContact CB-CB 4.08Å; K15-R17 PolarHBondContact O-N 3.18Å
18	Q	31.6	Very low	42.4	Very low	171 Å²	171	121.8 Å²	121.8	80%	0.799	60%	0.598	S	S	*	*			trans	45	109.7	161.3	-64.3	-165.2	-22.9	0	0	115.7	R20	Q18-R20 PolarHBondContact O-N 3.31Å
19	T	34.1	Very low	43.4	Very low	110 Å²	110	120 Å²	120	68%	0.675	59%	0.587	S	S	*	*			trans	-26.4	107.3	140.1	46.8	0	0	0	0	108.3	N21	T19-N21 PolarHBondContact O-N 3.26Å
20	R	40.2	Very low	44.6	Very low	127 Å²	127	114.9 Å²	114.9	48%	0.479	57%	0.566	S	S	.	*			trans	-58	104.4	164.8	-104.8	-171.4	162.7	115.8	4.8	103.5	R11 G12 Q18 L22	R11-R20 PolarHBondContact O-NH1 3.44Å; G12-R20 PolarHBondContact O-NH1 3.09Å; Q18-R20 PolarHBondContact O-N 3.31Å; R20-L22 PolarHBondContact O-N 2.96Å
21	N	43.1	Very low	46.3	Very low	131 Å²	131	115.4 Å²	115.4	70%	0.701	56%	0.559	S	S	*	*			trans	-64.5	113.9	169.6	-70.4	-54.4	0	0	0	103.6	T19 T23	T19-N21 PolarHBondContact O-N 3.26Å; N21-T23 PolarHBondContact O-N 3.36Å
22	L	48.4	Very low	47.5	Very low	44 Å²	44	112.8 Å²	112.8	23%	0.23	55%	0.554	C	S	.	*			trans	-46.3	126.9	170	-68.5	161	0	0	0	106.8	R20 E26 L27 L30 V87	R20-L22 PolarHBondContact O-N 2.96Å; L22-E26 HydrophobicContact CB-CB 4.26Å; L22-E26 HydrophobicContact CD2-CB 4.02Å; L22-L27 HydrophobicContact CB-CB 4.38Å; L22-L27 HydrophobicContact CD1-CD1 4.08Å; L22-L30 HydrophobicContact CD1-CD1 3.67Å; L22-L30 HydrophobicContact CD2-CD1 3.99Å; L22-L30 HydrophobicContact CG-CD1 4.46Å; L22-V87 HydrophobicContact CD1-CG1 3.32Å
23	T	50.8	Low	48.8	Very low	67 Å²	67	112.4 Å²	112.4	41%	0.411	55%	0.548	S	S	.	.			trans	-61	157.3	171.4	54.8	0	0	0	0	108.6	N21 D25 E26 L27	N21-T23 PolarHBondContact O-N 3.36Å; T23-D25 PolarHBondContact O-N 3.16Å; T23-D25 VanDerWaalsContact O-N 3.16Å; T23-E26 WeakPolarHBondContact CB-OE2 3.34Å; T23-E26 PolarHBondContact N-OE2 3.21Å; T23-E26 PolarHBondContact O-N 2.92Å; T23-E26 VanDerWaalsContact O-N 3.11Å; T23-E26 WeakPolarHBondContact OG1-CG 3.28Å; T23-E26 PolarHBondContact OG1-OE2 2.9Å; T23-L27 PolarHBondContact O-N 3Å
24	R	52.9	Low	50.6	Low	191 Å²	191	109.9 Å²	109.9	72%	0.721	52%	0.518	S	S	*	.	H	α-helix	trans	-55.8	-36.8	-176.2	-172.7	175.8	176.4	-135.8	-9.6	111.5	L27 E28	R24-L27 PolarHBondContact O-N 3.06Å; R24-E28 IonicContact NE-OE2 2.83Å; R24-E28 IonicContact NH2-OE2 3.77Å; R24-E28 WeakPolarHBondContact O-CG 3.41Å; R24-E28 PolarHBondContact O-N 3.15Å
25	D	48.4	Very low	51.8	Low	117 Å²	117	108.7 Å²	108.7	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-46.9	177.6	-54.7	-79.5	0	0	0	112	T23 L27 E28 E29	T23-D25 PolarHBondContact O-N 3.16Å; T23-D25 VanDerWaalsContact O-N 3.16Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.06Å; D25-E28 PolarHBondContact O-N 2.87Å; D25-E29 PolarHBondContact O-N 3.39Å
26	E	50.6	Low	53.6	Low	25 Å²	25	107 Å²	107	12%	0.117	49%	0.49	C	S	.	.	H	α-helix	trans	-61.7	-39.2	175.6	-66.1	168.9	85.1	0	0	112.6	F9 L22 T23 E28 E29 L30	F9-E26 HydrophobicContact CB-CG 3.9Å; F9-E26 HydrophobicContact CD1-CG 3.58Å; F9-E26 WeakPolarHBondContact CD1-OE1 3.31Å; F9-E26 HydrophobicContact CD2-CG 4.05Å; F9-E26 HydrophobicContact CE1-CG 3.68Å; F9-E26 VanDerWaalsContact CE1-OE1 3.3Å; F9-E26 WeakPolarHBondContact CE1-OE1 3.19Å; F9-E26 VanDerWaalsContact CE1-OE2 3.24Å; F9-E26 WeakPolarHBondContact CE1-OE2 3.3Å; F9-E26 HydrophobicContact CE2-CG 4.13Å; F9-E26 HydrophobicContact CG-CG 3.65Å; F9-E26 WeakPolarHBondContact CG-OE1 3.36Å; F9-E26 HydrophobicContact CZ-CG 3.91Å; L22-E26 HydrophobicContact CB-CB 4.26Å; L22-E26 HydrophobicContact CD2-CB 4.02Å; T23-E26 WeakPolarHBondContact CB-OE2 3.34Å; T23-E26 PolarHBondContact N-OE2 3.21Å; T23-E26 PolarHBondContact O-N 2.92Å; T23-E26 VanDerWaalsContact O-N 3.11Å; T23-E26 WeakPolarHBondContact OG1-CG 3.28Å; T23-E26 PolarHBondContact OG1-OE2 2.9Å; E26-E28 VanDerWaalsContact C-N 3.34Å; E26-E29 PolarHBondContact O-N 3.28Å; E26-L30 WeakPolarHBondContact O-CB 3.25Å; E26-L30 WeakPolarHBondContact O-CG 3.2Å; E26-L30 PolarHBondContact O-N 2.94Å
27	L	60	Low	54.7	Low	73 Å²	73	95.6 Å²	95.6	38%	0.382	45%	0.448	S	S	.	.	H	α-helix	trans	-69	-35.6	178.3	-169.6	70.8	0	0	0	111.3	L22 T23 R24 D25 R31 F83 V87	L22-L27 HydrophobicContact CB-CB 4.38Å; L22-L27 HydrophobicContact CD1-CD1 4.08Å; T23-L27 PolarHBondContact O-N 3Å; R24-L27 PolarHBondContact O-N 3.06Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.06Å; L27-R31 VanDerWaalsContact O-CB 3.25Å; L27-R31 WeakPolarHBondContact O-CB 3.2Å; L27-R31 PolarHBondContact O-N 3.43Å; L27-F83 HydrophobicContact CD1-CE1 4.29Å; L27-F83 HydrophobicContact CD1-CZ 4.09Å; L27-V87 HydrophobicContact CD1-CG1 4.37Å; L27-V87 HydrophobicContact CD1-CG2 4.06Å
28	E	58.8	Low	56.7	Low	95 Å²	95	86.2 Å²	86.2	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-67.9	-39.9	173.9	-75.3	-159.7	95.6	0	0	111.4	R24 D25 E26 R31 E32	R24-E28 IonicContact NE-OE2 2.83Å; R24-E28 IonicContact NH2-OE2 3.77Å; R24-E28 WeakPolarHBondContact O-CG 3.41Å; R24-E28 PolarHBondContact O-N 3.15Å; D25-E28 PolarHBondContact O-N 2.87Å; E26-E28 VanDerWaalsContact C-N 3.34Å; E28-R31 WeakPolarHBondContact O-CB 3.2Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-R31 VanDerWaalsContact O-N 3.17Å; E28-E32 WeakPolarHBondContact O-CG 3.41Å; E28-E32 PolarHBondContact O-N 2.85Å
29	E	58.5	Low	58.5	Low	56 Å²	56	86.5 Å²	86.5	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-41.9	175.6	-74	-169.5	110.3	0	0	113.1	I8 D25 E26 R31 E32 A33	I8-E29 WeakPolarHBondContact CB-OE2 3.26Å; I8-E29 WeakPolarHBondContact CD1-OE1 3.26Å; I8-E29 VanDerWaalsContact CD1-OE2 3.3Å; I8-E29 WeakPolarHBondContact CD1-OE2 3.44Å; I8-E29 WeakPolarHBondContact CG1-OE1 3.5Å; I8-E29 WeakPolarHBondContact CG1-OE2 3.35Å; I8-E29 WeakPolarHBondContact CG2-OE2 3.43Å; D25-E29 PolarHBondContact O-N 3.39Å; E26-E29 PolarHBondContact O-N 3.28Å; E29-R31 PolarHBondContact O-N 3.25Å; E29-E32 PolarHBondContact O-N 3.32Å; E29-A33 VanDerWaalsContact O-CB 3.27Å; E29-A33 WeakPolarHBondContact O-CB 3.4Å; E29-A33 PolarHBondContact O-N 2.81Å
30	L	60.6	Low	60.4	Low	22 Å²	22	86.1 Å²	86.1	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-60.8	-33.5	172.3	-75.4	170	0	0	0	111.5	L22 E26 F34 F86 V87 M90	L22-L30 HydrophobicContact CD1-CD1 3.67Å; L22-L30 HydrophobicContact CD2-CD1 3.99Å; L22-L30 HydrophobicContact CG-CD1 4.46Å; E26-L30 WeakPolarHBondContact O-CB 3.25Å; E26-L30 WeakPolarHBondContact O-CG 3.2Å; E26-L30 PolarHBondContact O-N 2.94Å; L30-F34 VanDerWaalsContact O-CB 3.26Å; L30-F34 WeakPolarHBondContact O-CB 3.04Å; L30-F34 PolarHBondContact O-N 3.42Å; L30-F86 HydrophobicContact CD2-CE1 4.07Å; L30-V87 HydrophobicContact CB-CG2 4.49Å; L30-V87 HydrophobicContact CD1-CG2 4.4Å; L30-M90 HydrophobicContact CD2-CB 3.62Å; L30-M90 HydrophobicContact CD2-CE 4.03Å; L30-M90 HydrophobicContact CD2-CG 3.92Å
31	R	67.1	Low	62.1	Low	149 Å²	149	87.6 Å²	87.6	56%	0.562	42%	0.415	S	S	*	.	H	α-helix	trans	-72.5	-42.9	176.7	-168.5	-179.9	-168.4	171.7	6.1	112.6	L27 E28 E29 A33 F34 I35 F83	L27-R31 VanDerWaalsContact O-CB 3.25Å; L27-R31 WeakPolarHBondContact O-CB 3.2Å; L27-R31 PolarHBondContact O-N 3.43Å; E28-R31 WeakPolarHBondContact O-CB 3.2Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-R31 VanDerWaalsContact O-N 3.17Å; E29-R31 PolarHBondContact O-N 3.25Å; R31-A33 VanDerWaalsContact C-N 3.31Å; R31-F34 PolarHBondContact O-N 2.91Å; R31-I35 HydrophobicContact CG-CD1 4.13Å; R31-I35 WeakPolarHBondContact O-CB 3.33Å; R31-I35 WeakPolarHBondContact O-CD1 3.42Å; R31-I35 WeakPolarHBondContact O-CG1 3.28Å; R31-I35 PolarHBondContact O-N 3.03Å; R31-F83 HydrophobicContact CB-CE2 3.83Å; R31-F83 HydrophobicContact CB-CZ 3.81Å; R31-F83 HydrophobicContact CG-CE2 4.12Å; R31-F83 HydrophobicContact CG-CZ 4.13Å
32	E	66.6	Low	63.7	Low	137 Å²	137	84.4 Å²	84.4	64%	0.64	40%	0.399	S	S	*	.	H	α-helix	trans	-62.9	-42.2	174.3	-72.5	-165.9	117.6	0	0	110.8	E28 E29 I35 E36	E28-E32 WeakPolarHBondContact O-CG 3.41Å; E28-E32 PolarHBondContact O-N 2.85Å; E29-E32 PolarHBondContact O-N 3.32Å; E32-I35 PolarHBondContact O-N 3.39Å; E32-E36 PolarHBondContact O-N 2.9Å
33	A	65.6	Low	65	Low	27 Å²	27	83.8 Å²	83.8	22%	0.223	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-47.7	174.4	0	0	0	0	0	111.1	E29 R31 I35 E36 F37	E29-A33 VanDerWaalsContact O-CB 3.27Å; E29-A33 WeakPolarHBondContact O-CB 3.4Å; E29-A33 PolarHBondContact O-N 2.81Å; R31-A33 VanDerWaalsContact C-N 3.31Å; A33-I35 VanDerWaalsContact C-N 3.31Å; A33-I35 PolarHBondContact O-N 3.39Å; A33-E36 WeakPolarHBondContact O-CA 3.34Å; A33-E36 WeakPolarHBondContact O-CB 3.38Å; A33-E36 PolarHBondContact O-N 2.85Å; A33-F37 VanDerWaalsContact C-CD2 3.42Å; A33-F37 HydrophobicContact CB-CD2 4.36Å; A33-F37 HydrophobicContact CB-CE2 3.6Å; A33-F37 HydrophobicContact CB-CZ 4.15Å; A33-F37 WeakPolarHBondContact O-CD2 3.36Å; A33-F37 WeakPolarHBondContact O-CE2 3.47Å; A33-F37 VanDerWaalsContact O-CG 3.22Å; A33-F37 WeakPolarHBondContact O-CG 3.38Å; A33-F37 PolarHBondContact O-N 3.43Å
34	F	67.4	Low	66.4	Low	12 Å²	12	84.3 Å²	84.3	5%	0.053	40%	0.4	C	S	.	.	H	α-helix	trans	-56.3	-44.3	175.8	-174	-90	0	0	0	112.2	L30 R31 E36 F37 D38 G43 I45 F83 F86	L30-F34 VanDerWaalsContact O-CB 3.26Å; L30-F34 WeakPolarHBondContact O-CB 3.04Å; L30-F34 PolarHBondContact O-N 3.42Å; R31-F34 PolarHBondContact O-N 2.91Å; F34-E36 VanDerWaalsContact C-N 3.28Å; F34-E36 PolarHBondContact O-N 3.41Å; F34-F37 PolarHBondContact O-N 2.82Å; F34-D38 HydrophobicContact CD1-CB 4.37Å; F34-D38 HydrophobicContact CE1-CB 4.12Å; F34-D38 WeakPolarHBondContact O-CB 3.24Å; F34-D38 PolarHBondContact O-N 3.27Å; F34-G43 WeakPolarHBondContact CZ-O 3.11Å; F34-I45 HydrophobicContact CD2-CD1 3.31Å; F34-I45 HydrophobicContact CD2-CG1 3.97Å; F34-I45 HydrophobicContact CE2-CD1 3.45Å; F34-I45 VanDerWaalsContact CE2-CD1 3.45Å; F34-I45 HydrophobicContact CE2-CG1 3.62Å; F34-I45 HydrophobicContact CG-CD1 4.15Å; F34-I45 HydrophobicContact CZ-CD1 4.36Å; F34-I45 HydrophobicContact CZ-CG1 4.12Å; F34-F83 HydrophobicContact CB-CD2 3.77Å; F34-F83 HydrophobicContact CB-CE2 4.1Å; F34-F83 HydrophobicContact CD1-CB 4.37Å; F34-F83 HydrophobicContact CD1-CD2 4.06Å; F34-F83 HydrophobicContact CD2-CB 4.36Å; F34-F83 AromaticContact CD2-CD2 3.91Å; F34-F83 HydrophobicContact CD2-CD2 3.91Å; F34-F83 HydrophobicContact CE1-CB 4.19Å; F34-F83 HydrophobicContact CE2-CB 4.17Å; F34-F83 HydrophobicContact CG-CB 4.46Å; F34-F83 AromaticContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CE2 4.45Å; F34-F83 HydrophobicContact CZ-CB 4.08Å; F34-F86 HydrophobicContact CB-CD1 4.06Å; F34-F86 HydrophobicContact CB-CE1 4.14Å; F34-F86 HydrophobicContact CD2-CB 3.58Å; F34-F86 AromaticContact CD2-CD1 3.71Å; F34-F86 HydrophobicContact CD2-CD1 3.71Å; F34-F86 HydrophobicContact CD2-CD2 4.2Å; F34-F86 HydrophobicContact CD2-CE1 4.42Å; F34-F86 AromaticContact CD2-CG 3.57Å; F34-F86 HydrophobicContact CD2-CG 3.57Å; F34-F86 HydrophobicContact CE2-CB 3.78Å; F34-F86 HydrophobicContact CE2-CG 4.22Å; F34-F86 HydrophobicContact CG-CD1 4.38Å
35	I	72.3	Confident	67.4	Low	89 Å²	89	75.3 Å²	75.3	46%	0.456	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-31.8	177.3	-68.4	164.5	0	0	0	111.7	R31 E32 A33 F37	R31-I35 HydrophobicContact CG-CD1 4.13Å; R31-I35 WeakPolarHBondContact O-CB 3.33Å; R31-I35 WeakPolarHBondContact O-CD1 3.42Å; R31-I35 WeakPolarHBondContact O-CG1 3.28Å; R31-I35 PolarHBondContact O-N 3.03Å; E32-I35 PolarHBondContact O-N 3.39Å; A33-I35 VanDerWaalsContact C-N 3.31Å; A33-I35 PolarHBondContact O-N 3.39Å; I35-F37 VanDerWaalsContact C-N 3.34Å
36	E	70.9	Confident	68.5	Low	136 Å²	136	71.5 Å²	71.5	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-71.3	-31.3	175.1	-171.2	165.8	98.3	0	0	112.2	E32 A33 F34	E32-E36 PolarHBondContact O-N 2.9Å; A33-E36 WeakPolarHBondContact O-CA 3.34Å; A33-E36 WeakPolarHBondContact O-CB 3.38Å; A33-E36 PolarHBondContact O-N 2.85Å; F34-E36 VanDerWaalsContact C-N 3.28Å; F34-E36 PolarHBondContact O-N 3.41Å
37	F	69.2	Low	69.5	Low	22 Å²	22	72 Å²	72	10%	0.096	35%	0.353	C	S	.	.	H	α-helix	trans	-85	-37.5	179.1	-55.6	-42.3	0	0	0	113.6	A33 F34 I35 K39 I45 L53 M57 F86	A33-F37 VanDerWaalsContact C-CD2 3.42Å; A33-F37 HydrophobicContact CB-CD2 4.36Å; A33-F37 HydrophobicContact CB-CE2 3.6Å; A33-F37 HydrophobicContact CB-CZ 4.15Å; A33-F37 WeakPolarHBondContact O-CD2 3.36Å; A33-F37 WeakPolarHBondContact O-CE2 3.47Å; A33-F37 VanDerWaalsContact O-CG 3.22Å; A33-F37 WeakPolarHBondContact O-CG 3.38Å; A33-F37 PolarHBondContact O-N 3.43Å; F34-F37 PolarHBondContact O-N 2.82Å; I35-F37 VanDerWaalsContact C-N 3.34Å; F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.43Å; F37-I45 HydrophobicContact CB-CD1 3.81Å; F37-I45 HydrophobicContact CB-CG1 4.22Å; F37-I45 HydrophobicContact CD2-CD1 4.4Å; F37-L53 HydrophobicContact CD1-CB 3.96Å; F37-L53 HydrophobicContact CD1-CD1 3.8Å; F37-L53 HydrophobicContact CD1-CD2 4.1Å; F37-L53 HydrophobicContact CD1-CG 4.15Å; F37-L53 HydrophobicContact CD2-CD1 4.43Å; F37-L53 HydrophobicContact CD2-CD2 3.66Å; F37-L53 HydrophobicContact CE1-CB 4.15Å; F37-L53 HydrophobicContact CE1-CD1 3.12Å; F37-L53 HydrophobicContact CE1-CD2 4.09Å; F37-L53 HydrophobicContact CE1-CG 3.95Å; F37-L53 HydrophobicContact CE2-CD1 3.8Å; F37-L53 HydrophobicContact CE2-CD2 3.56Å; F37-L53 HydrophobicContact CE2-CG 4.26Å; F37-L53 HydrophobicContact CG-CB 4.44Å; F37-L53 HydrophobicContact CG-CD1 4.46Å; F37-L53 HydrophobicContact CG-CD2 3.97Å; F37-L53 HydrophobicContact CZ-CD1 3.13Å; F37-L53 HydrophobicContact CZ-CD2 3.84Å; F37-L53 HydrophobicContact CZ-CG 4.03Å; F37-M57 HydrophobicContact CZ-CE 4.26Å; F37-F86 HydrophobicContact CD2-CE2 4.13Å; F37-F86 AromaticContact CD2-CZ 3.89Å; F37-F86 HydrophobicContact CD2-CZ 3.89Å; F37-F86 HydrophobicContact CE2-CE2 4.5Å; F37-F86 AromaticContact CE2-CZ 3.96Å; F37-F86 HydrophobicContact CE2-CZ 3.96Å
38	D	72.9	Confident	70	Confident	9 Å²	9	76.6 Å²	76.6	5%	0.048	37%	0.37	C	S	.	.			trans	-76	77.1	173.7	-179.3	9.9	0	0	0	110.3	F34 D40 K41 D42 G43	F34-D38 HydrophobicContact CD1-CB 4.37Å; F34-D38 HydrophobicContact CE1-CB 4.12Å; F34-D38 WeakPolarHBondContact O-CB 3.24Å; F34-D38 PolarHBondContact O-N 3.27Å; D38-D40 VanDerWaalsContact C-N 3.34Å; D38-D40 PolarHBondContact O-N 3.08Å; D38-K41 VanDerWaalsContact CG-CA 3.42Å; D38-K41 PolarHBondContact O-N 3.39Å; D38-K41 WeakPolarHBondContact OD1-CA 3.48Å; D38-K41 PolarHBondContact OD1-N 3.19Å; D38-K41 VanDerWaalsContact OD2-CA 3.26Å; D38-K41 WeakPolarHBondContact OD2-CA 3.3Å; D38-D42 PolarHBondContact OD1-N 2.92Å; D38-D42 PolarHBondContact OD2-N 2.98Å; D38-G43 VanDerWaalsContact OD2-CA 3.25Å; D38-G43 WeakPolarHBondContact OD2-CA 3.37Å; D38-G43 PolarHBondContact OD2-N 3.45Å
39	K	69.4	Low	70.7	Confident	178 Å²	178	73.7 Å²	73.7	77%	0.774	36%	0.357	S	S	*	.	S	Bend	trans	-66.5	-34.5	-175	-70.8	-142	176.4	-170	0	113.4	F37 K41	F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.43Å; K39-K41 VanDerWaalsContact C-N 3.32Å
40	D	74.9	Confident	71.2	Confident	101 Å²	101	72.5 Å²	72.5	54%	0.54	35%	0.352	S	S	.	.	S	Bend	trans	-84.6	-8.1	176.7	49.8	-25	0	0	0	113.1	D38 D42	D38-D40 VanDerWaalsContact C-N 3.34Å; D38-D40 PolarHBondContact O-N 3.08Å; D40-D42 PolarHBondContact O-N 2.98Å
41	K	74.8	Confident	71.5	Confident	158 Å²	158	71.6 Å²	71.6	69%	0.687	35%	0.349	S	S	*	.			trans	56.1	33.4	178.2	-59.4	-172.3	178.5	-171.2	0	111.5	D38 K39	D38-K41 VanDerWaalsContact CG-CA 3.42Å; D38-K41 PolarHBondContact O-N 3.39Å; D38-K41 WeakPolarHBondContact OD1-CA 3.48Å; D38-K41 PolarHBondContact OD1-N 3.19Å; D38-K41 VanDerWaalsContact OD2-CA 3.26Å; D38-K41 WeakPolarHBondContact OD2-CA 3.3Å; K39-K41 VanDerWaalsContact C-N 3.32Å
42	D	78.6	Confident	71.5	Confident	65 Å²	65	68.9 Å²	68.9	35%	0.348	35%	0.345	S	S	.	.	S	Bend	trans	-83	-5.7	180	84.7	-16.8	0	0	0	111.6	D38 D40 F44	D38-D42 PolarHBondContact OD1-N 2.92Å; D38-D42 PolarHBondContact OD2-N 2.98Å; D40-D42 PolarHBondContact O-N 2.98Å; D42-F44 VanDerWaalsContact O-CD2 3.23Å; D42-F44 WeakPolarHBondContact O-CD2 2.75Å; D42-F44 WeakPolarHBondContact O-CE2 3.04Å; D42-F44 WeakPolarHBondContact OD1-CA 3.41Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 3.46Å
43	G	75.1	Confident	71.3	Confident	31 Å²	31	62.8 Å²	62.8	32%	0.32	32%	0.317	S	S	.	.	S	Bend	trans	87.3	8.5	-178.8	0	0	0	0	0	113.2	F34 D38	F34-G43 WeakPolarHBondContact CZ-O 3.11Å; D38-G43 VanDerWaalsContact OD2-CA 3.25Å; D38-G43 WeakPolarHBondContact OD2-CA 3.37Å; D38-G43 PolarHBondContact OD2-N 3.45Å
44	F	79	Confident	70.9	Confident	78 Å²	78	61.9 Å²	61.9	34%	0.342	31%	0.308	S	S	.	.			trans	-136.4	134.1	-175.5	-57.9	-82.3	0	0	0	112.3	D42 R80 V81 D82	D42-F44 VanDerWaalsContact O-CD2 3.23Å; D42-F44 WeakPolarHBondContact O-CD2 2.75Å; D42-F44 WeakPolarHBondContact O-CE2 3.04Å; D42-F44 WeakPolarHBondContact OD1-CA 3.41Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 3.46Å; F44-R80 HydrophobicContact CB-CB 4.11Å; F44-R80 HydrophobicContact CD1-CB 3.84Å; F44-R80 HydrophobicContact CG-CB 4.19Å; F44-V81 CarbonylContact C-O 3.52Å; F44-V81 WeakPolarHBondContact CA-O 3.46Å; F44-D82 HydrophobicContact CD1-CB 3.95Å; F44-D82 HydrophobicContact CE1-CB 3.91Å
45	I	74.2	Confident	70.5	Confident	1 Å²	1	67 Å²	67	1%	0.005	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-91.9	124.9	170.3	-63.6	172.8	0	0	0	108.3	F34 F37 D49 L50 V81 F86	F34-I45 HydrophobicContact CD2-CD1 3.31Å; F34-I45 HydrophobicContact CD2-CG1 3.97Å; F34-I45 HydrophobicContact CE2-CD1 3.45Å; F34-I45 VanDerWaalsContact CE2-CD1 3.45Å; F34-I45 HydrophobicContact CE2-CG1 3.62Å; F34-I45 HydrophobicContact CG-CD1 4.15Å; F34-I45 HydrophobicContact CZ-CD1 4.36Å; F34-I45 HydrophobicContact CZ-CG1 4.12Å; F37-I45 HydrophobicContact CB-CD1 3.81Å; F37-I45 HydrophobicContact CB-CG1 4.22Å; F37-I45 HydrophobicContact CD2-CD1 4.4Å; I45-D49 HydrophobicContact CG2-CB 3.96Å; I45-L50 HydrophobicContact CG2-CB 4.45Å; I45-V81 HydrophobicContact CB-CB 4.21Å; I45-V81 PolarHBondContact N-O 3.16Å; I45-V81 PolarHBondContact O-N 2.75Å; I45-F86 HydrophobicContact CD1-CD2 3.55Å; I45-F86 HydrophobicContact CD1-CE2 3.81Å; I45-F86 HydrophobicContact CD1-CG 4.12Å
46	T	73	Confident	69.6	Low	37 Å²	37	67.6 Å²	67.6	23%	0.227	34%	0.335	C	S	.	.			trans	-88	161	173.1	77.8	0	0	0	0	111.3	K48 D49 L50	T46-K48 PolarHBondContact O-N 2.63Å; T46-K48 PolarHBondContact OG1-N 3.11Å; T46-D49 WeakPolarHBondContact CB-OD2 3.42Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 WeakPolarHBondContact O-CB 3.03Å; T46-D49 PolarHBondContact O-N 3Å; T46-D49 PolarHBondContact OG1-OD2 3.17Å; T46-L50 PolarHBondContact O-N 2.84Å
47	C	69.8	Low	68.4	Low	36 Å²	36	67 Å²	67	24%	0.243	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-25.9	176.7	-49.7	0	0	0	0	113	G51	C47-G51 PolarHBondContact O-N 3.2Å
48	K	71.1	Confident	67.3	Low	170 Å²	170	69.3 Å²	69.3	74%	0.739	36%	0.364	S	S	*	.	H	α-helix	trans	-70.7	-40.4	174.7	-69.1	-179	179.1	177.1	0	111.5	T46 L50 G51 N52	T46-K48 PolarHBondContact O-N 2.63Å; T46-K48 PolarHBondContact OG1-N 3.11Å; K48-L50 VanDerWaalsContact C-N 3.34Å; K48-G51 PolarHBondContact O-N 2.8Å; K48-N52 PolarHBondContact O-N 3.38Å
49	D	73.6	Confident	66	Low	34 Å²	34	70.1 Å²	70.1	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-69.5	-37.6	177.6	-55.6	-49.9	0	0	0	110.4	I45 T46 G51 N52 L53	I45-D49 HydrophobicContact CG2-CB 3.96Å; T46-D49 WeakPolarHBondContact CB-OD2 3.42Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 WeakPolarHBondContact O-CB 3.03Å; T46-D49 PolarHBondContact O-N 3Å; T46-D49 PolarHBondContact OG1-OD2 3.17Å; D49-G51 PolarHBondContact O-N 3.41Å; D49-N52 CarbonylContact O-C 3.52Å; D49-N52 PolarHBondContact O-N 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 PolarHBondContact O-N 3.28Å
50	L	69.4	Low	65.2	Low	30 Å²	30	68.1 Å²	68.1	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-43.2	171.6	-167.8	69.6	0	0	0	112.4	I45 T46 K48 N52 L53 M54 L69 I73	I45-L50 HydrophobicContact CG2-CB 4.45Å; T46-L50 PolarHBondContact O-N 2.84Å; K48-L50 VanDerWaalsContact C-N 3.34Å; L50-N52 VanDerWaalsContact C-N 3.31Å; L50-N52 PolarHBondContact O-N 2.96Å; L50-L53 HydrophobicContact CD1-CD2 4.11Å; L50-L53 WeakPolarHBondContact O-CB 3.49Å; L50-L53 PolarHBondContact O-N 2.98Å; L50-M54 WeakPolarHBondContact O-CG 2.98Å; L50-M54 PolarHBondContact O-N 3.16Å; L50-L69 HydrophobicContact CD2-CD2 4.04Å; L50-I73 HydrophobicContact CD2-CD1 3.58Å
51	G	66.6	Low	64.3	Low	4 Å²	4	63.5 Å²	63.5	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-34.3	175.3	0	0	0	0	0	113.4	C47 K48 D49 R55	C47-G51 PolarHBondContact O-N 3.2Å; K48-G51 PolarHBondContact O-N 2.8Å; D49-G51 PolarHBondContact O-N 3.41Å; G51-R55 VanDerWaalsContact O-CG 3.3Å; G51-R55 WeakPolarHBondContact O-CG 3.32Å; G51-R55 PolarHBondContact O-N 3.37Å
52	N	66.3	Low	64.1	Low	91 Å²	91	59.5 Å²	59.5	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-71.5	-35.6	172.4	-75.8	-24	0	0	0	112.1	K48 D49 L50 R55 T56	K48-N52 PolarHBondContact O-N 3.38Å; D49-N52 CarbonylContact O-C 3.52Å; D49-N52 PolarHBondContact O-N 3.24Å; L50-N52 VanDerWaalsContact C-N 3.31Å; L50-N52 PolarHBondContact O-N 2.96Å; N52-R55 PolarHBondContact O-N 3.14Å; N52-T56 WeakPolarHBondContact O-CB 3.3Å; N52-T56 PolarHBondContact O-N 3.23Å; N52-T56 PolarHBondContact O-OG1 3.08Å
53	L	62.8	Low	63.6	Low	9 Å²	9	64 Å²	64	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-52.9	173.9	161.2	50.2	0	0	0	110.5	F37 D49 L50 R55 T56 M57 F86	F37-L53 HydrophobicContact CD1-CB 3.96Å; F37-L53 HydrophobicContact CD1-CD1 3.8Å; F37-L53 HydrophobicContact CD1-CD2 4.1Å; F37-L53 HydrophobicContact CD1-CG 4.15Å; F37-L53 HydrophobicContact CD2-CD1 4.43Å; F37-L53 HydrophobicContact CD2-CD2 3.66Å; F37-L53 HydrophobicContact CE1-CB 4.15Å; F37-L53 HydrophobicContact CE1-CD1 3.12Å; F37-L53 HydrophobicContact CE1-CD2 4.09Å; F37-L53 HydrophobicContact CE1-CG 3.95Å; F37-L53 HydrophobicContact CE2-CD1 3.8Å; F37-L53 HydrophobicContact CE2-CD2 3.56Å; F37-L53 HydrophobicContact CE2-CG 4.26Å; F37-L53 HydrophobicContact CG-CB 4.44Å; F37-L53 HydrophobicContact CG-CD1 4.46Å; F37-L53 HydrophobicContact CG-CD2 3.97Å; F37-L53 HydrophobicContact CZ-CD1 3.13Å; F37-L53 HydrophobicContact CZ-CD2 3.84Å; F37-L53 HydrophobicContact CZ-CG 4.03Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 PolarHBondContact O-N 3.28Å; L50-L53 HydrophobicContact CD1-CD2 4.11Å; L50-L53 WeakPolarHBondContact O-CB 3.49Å; L50-L53 PolarHBondContact O-N 2.98Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-T56 CarbonylContact O-C 3.55Å; L53-T56 WeakPolarHBondContact O-CA 3.04Å; L53-T56 WeakPolarHBondContact O-CB 3.48Å; L53-T56 PolarHBondContact O-N 3.05Å; L53-M57 HydrophobicContact CD1-CE 3.47Å; L53-M57 VanDerWaalsContact CD1-CE 3.47Å; L53-M57 HydrophobicContact CD1-CG 3.85Å; L53-M57 HydrophobicContact CD1-SD 3.65Å; L53-M57 HydrophobicContact CG-SD 4.43Å; L53-M57 PolarHBondContact O-N 3.18Å; L53-F86 HydrophobicContact CD2-CE2 4.46Å
54	M	57.8	Low	63	Low	9 Å²	9	68.7 Å²	68.7	4%	0.044	36%	0.36	C	S	.	.	H	α-helix	trans	-53.5	-43.5	177.3	-66	172.1	91	0	0	110.8	L50 T56 M57 G58 Y59 P61 L66 L69 I102	L50-M54 WeakPolarHBondContact O-CG 2.98Å; L50-M54 PolarHBondContact O-N 3.16Å; M54-T56 PolarHBondContact O-N 3.1Å; M54-M57 CarbonylContact O-C 3.59Å; M54-M57 PolarHBondContact O-N 2.86Å; M54-G58 PolarHBondContact O-N 3.37Å; M54-Y59 CarbonylContact C-O 3Å; M54-Y59 HydrophobicContact CB-CD1 4.09Å; M54-Y59 HydrophobicContact CE-CD1 3.61Å; M54-Y59 HydrophobicContact CE-CE1 3.47Å; M54-Y59 VanDerWaalsContact CE-CE1 3.47Å; M54-Y59 CarbonylContact O-C 3.58Å; M54-Y59 WeakPolarHBondContact O-CA 3.48Å; M54-Y59 WeakPolarHBondContact O-CB 3.29Å; M54-Y59 PolarHBondContact O-N 3.17Å; M54-P61 HydrophobicContact CB-CG 4.15Å; M54-P61 HydrophobicContact CE-CB 3.99Å; M54-P61 HydrophobicContact CE-CG 4.5Å; M54-P61 HydrophobicContact SD-CB 4.02Å; M54-P61 HydrophobicContact SD-CG 3.99Å; M54-L66 HydrophobicContact SD-CD2 4.44Å; M54-L69 HydrophobicContact CE-CD1 3.85Å; M54-L69 HydrophobicContact SD-CD1 3.7Å; M54-I102 HydrophobicContact CE-CD1 3.7Å; M54-I102 HydrophobicContact CE-CG1 3.65Å
55	R	59.5	Low	62	Low	119 Å²	119	66.8 Å²	66.8	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-37.4	175.6	-70	171.9	-175.4	-99	-3.9	113.5	G51 N52 L53 M57 G58 Y59	G51-R55 VanDerWaalsContact O-CG 3.3Å; G51-R55 WeakPolarHBondContact O-CG 3.32Å; G51-R55 PolarHBondContact O-N 3.37Å; N52-R55 PolarHBondContact O-N 3.14Å; L53-R55 PolarHBondContact O-N 3.32Å; R55-M57 VanDerWaalsContact C-N 3.34Å; R55-G58 PolarHBondContact O-N 2.88Å; R55-G58 VanDerWaalsContact O-N 3.11Å; R55-Y59 WeakPolarHBondContact CA-O 3.43Å; R55-Y59 PolarHBondContact N-O 3.01Å; R55-Y59 VanDerWaalsContact N-O 3.08Å
56	T	53	Low	61.6	Low	102 Å²	102	69 Å²	69	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-70.6	-33.2	178.6	-56.7	0	0	0	0	111.4	N52 L53 M54 G58	N52-T56 WeakPolarHBondContact O-CB 3.3Å; N52-T56 PolarHBondContact O-N 3.23Å; N52-T56 PolarHBondContact O-OG1 3.08Å; L53-T56 CarbonylContact O-C 3.55Å; L53-T56 WeakPolarHBondContact O-CA 3.04Å; L53-T56 WeakPolarHBondContact O-CB 3.48Å; L53-T56 PolarHBondContact O-N 3.05Å; M54-T56 PolarHBondContact O-N 3.1Å; T56-G58 PolarHBondContact O-N 2.69Å
57	M	45.6	Very low	61.3	Low	123 Å²	123	71 Å²	71	61%	0.606	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	3.7	169.8	-75.3	179.7	176.7	0	0	113.6	F37 L53 M54 R55	F37-M57 HydrophobicContact CZ-CE 4.26Å; L53-M57 HydrophobicContact CD1-CE 3.47Å; L53-M57 VanDerWaalsContact CD1-CE 3.47Å; L53-M57 HydrophobicContact CD1-CG 3.85Å; L53-M57 HydrophobicContact CD1-SD 3.65Å; L53-M57 HydrophobicContact CG-SD 4.43Å; L53-M57 PolarHBondContact O-N 3.18Å; M54-M57 CarbonylContact O-C 3.59Å; M54-M57 PolarHBondContact O-N 2.86Å; R55-M57 VanDerWaalsContact C-N 3.34Å
58	G	45.1	Very low	61.1	Low	71 Å²	71	73.8 Å²	73.8	73%	0.732	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	2.4	177.5	0	0	0	0	0	114.7	M54 R55 T56	M54-G58 PolarHBondContact O-N 3.37Å; R55-G58 PolarHBondContact O-N 2.88Å; R55-G58 VanDerWaalsContact O-N 3.11Å; T56-G58 PolarHBondContact O-N 2.69Å
59	Y	47.3	Very low	60.8	Low	26 Å²	26	66.4 Å²	66.4	10%	0.102	35%	0.35	C	S	.	.			trans	-93.9	124.5	176.2	-173.3	-86.1	0	0	0	110.9	M54 R55 P61 E65 M101 K105	M54-Y59 CarbonylContact C-O 3Å; M54-Y59 HydrophobicContact CB-CD1 4.09Å; M54-Y59 HydrophobicContact CE-CD1 3.61Å; M54-Y59 HydrophobicContact CE-CE1 3.47Å; M54-Y59 VanDerWaalsContact CE-CE1 3.47Å; M54-Y59 CarbonylContact O-C 3.58Å; M54-Y59 WeakPolarHBondContact O-CA 3.48Å; M54-Y59 WeakPolarHBondContact O-CB 3.29Å; M54-Y59 PolarHBondContact O-N 3.17Å; R55-Y59 WeakPolarHBondContact CA-O 3.43Å; R55-Y59 PolarHBondContact N-O 3.01Å; R55-Y59 VanDerWaalsContact N-O 3.08Å; Y59-P61 HydrophobicContact CD1-CB 4.01Å; Y59-P61 HydrophobicContact CD1-CG 4.4Å; Y59-P61 VanDerWaalsContact CE1-CA 3.49Å; Y59-P61 HydrophobicContact CE1-CB 3.69Å; Y59-P61 WeakPolarHBondContact O-CD 3.47Å; Y59-E65 PolarHBondContact OH-OE1 3.3Å; Y59-M101 PolarHBondContact OH-O 2.85Å; Y59-K105 HydrophobicContact CD2-CD 4.09Å; Y59-K105 HydrophobicContact CE2-CB 4.14Å; Y59-K105 HydrophobicContact CE2-CD 3.48Å; Y59-K105 VanDerWaalsContact CE2-CD 3.48Å; Y59-K105 HydrophobicContact CE2-CG 4.46Å
60	M	52.7	Low	60.5	Low	136 Å²	136	66.5 Å²	66.5	67%	0.67	35%	0.354	S	S	*	.			trans	-99.2	95.3	174.5	-168.7	176.3	-65.7	0	0	109.6
61	P	55.2	Low	60.3	Low	4 Å²	4	69.9 Å²	69.9	3%	0.026	37%	0.369	C	S	.	.			trans	-69.5	143.4	179.2	29.9	-33.3	0	0	0	110.2	M54 Y59 E65 L66	M54-P61 HydrophobicContact CB-CG 4.15Å; M54-P61 HydrophobicContact CE-CB 3.99Å; M54-P61 HydrophobicContact CE-CG 4.5Å; M54-P61 HydrophobicContact SD-CB 4.02Å; M54-P61 HydrophobicContact SD-CG 3.99Å; Y59-P61 HydrophobicContact CD1-CB 4.01Å; Y59-P61 HydrophobicContact CD1-CG 4.4Å; Y59-P61 VanDerWaalsContact CE1-CA 3.49Å; Y59-P61 HydrophobicContact CE1-CB 3.69Å; Y59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-E65 HydrophobicContact CB-CB 4.46Å; P61-L66 HydrophobicContact CB-CD2 4.06Å; P61-L66 HydrophobicContact CB-CG 3.98Å; P61-L66 HydrophobicContact CG-CD1 4.16Å; P61-L66 HydrophobicContact CG-CD2 3.74Å; P61-L66 HydrophobicContact CG-CG 3.91Å
62	T	69.4	Low	60.2	Low	74 Å²	74	72.1 Å²	72.1	45%	0.454	38%	0.38	S	S	.	.			trans	-72	161.2	169.2	64.5	0	0	0	0	110.6	M64 E65 L66	T62-M64 PolarHBondContact O-N 3.1Å; T62-E65 WeakPolarHBondContact CB-OE2 3.23Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.25Å; T62-E65 PolarHBondContact N-OE2 2.8Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact OG1-CD 3.3Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.47Å; T62-E65 PolarHBondContact OG1-N 2.7Å; T62-E65 PolarHBondContact OG1-OE2 3.06Å; T62-L66 PolarHBondContact O-N 2.67Å; T62-L66 VanDerWaalsContact O-N 3.1Å
63	E	69.8	Low	60.1	Low	160 Å²	160	68 Å²	68	75%	0.748	36%	0.358	S	S	*	.	H	α-helix	trans	-61.2	-32.9	178.5	-163.3	169.8	-175.8	0	0	111.8	I67	E63-I67 HydrophobicContact CG-CD1 4.29Å; E63-I67 WeakPolarHBondContact O-CD1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.44Å; E63-I67 PolarHBondContact O-N 3.02Å
64	M	62.6	Low	60.3	Low	128 Å²	128	72.4 Å²	72.4	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-67.4	-44.9	177.3	-163.6	164.7	74.7	0	0	112.2	T62 L66 I67 E68	T62-M64 PolarHBondContact O-N 3.1Å; M64-L66 VanDerWaalsContact C-N 3.34Å; M64-L66 PolarHBondContact O-N 2.88Å; M64-I67 WeakPolarHBondContact O-CB 3.33Å; M64-I67 PolarHBondContact O-N 3.3Å; M64-I67 VanDerWaalsContact O-N 3.13Å; M64-E68 PolarHBondContact O-N 2.93Å
65	E	57.8	Low	60.6	Low	39 Å²	39	79 Å²	79	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-63.6	-39.4	177.4	-70	168.9	136.5	0	0	111.7	Y59 P61 T62 I67 E68 L69 M101	Y59-E65 PolarHBondContact OH-OE1 3.3Å; P61-E65 HydrophobicContact CB-CB 4.46Å; T62-E65 WeakPolarHBondContact CB-OE2 3.23Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.25Å; T62-E65 PolarHBondContact N-OE2 2.8Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact OG1-CD 3.3Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.47Å; T62-E65 PolarHBondContact OG1-N 2.7Å; T62-E65 PolarHBondContact OG1-OE2 3.06Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 PolarHBondContact O-N 3.27Å; E65-E68 PolarHBondContact O-N 3.17Å; E65-L69 WeakPolarHBondContact O-CB 3.5Å; E65-L69 PolarHBondContact O-N 3.45Å; E65-M101 VanDerWaalsContact CA-SD 3.59Å; E65-M101 HydrophobicContact CB-CG 4.22Å; E65-M101 HydrophobicContact CB-SD 3.4Å; E65-M101 WeakPolarHBondContact CB-SD 3.32Å; E65-M101 HydrophobicContact CG-CG 3.76Å; E65-M101 HydrophobicContact CG-SD 3.51Å; E65-M101 VanDerWaalsContact CG-SD 3.51Å
66	L	65.6	Low	60.4	Low	48 Å²	48	79 Å²	79	25%	0.251	42%	0.423	S	S	.	.	H	α-helix	trans	-64.9	-37.6	173.2	-71.9	174.8	0	0	0	112.3	M54 P61 T62 M64 S70	M54-L66 HydrophobicContact SD-CD2 4.44Å; P61-L66 HydrophobicContact CB-CD2 4.06Å; P61-L66 HydrophobicContact CB-CG 3.98Å; P61-L66 HydrophobicContact CG-CD1 4.16Å; P61-L66 HydrophobicContact CG-CD2 3.74Å; P61-L66 HydrophobicContact CG-CG 3.91Å; T62-L66 PolarHBondContact O-N 2.67Å; T62-L66 VanDerWaalsContact O-N 3.1Å; M64-L66 VanDerWaalsContact C-N 3.34Å; M64-L66 PolarHBondContact O-N 2.88Å; L66-S70 WeakPolarHBondContact O-CB 3.27Å; L66-S70 PolarHBondContact O-N 2.69Å; L66-S70 PolarHBondContact O-OG 3.33Å
67	I	66.8	Low	60.8	Low	79 Å²	79	76.2 Å²	76.2	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-46.7	176.8	-71.4	162.6	0	0	0	110	E63 M64 E65 S70 Q71	E63-I67 HydrophobicContact CG-CD1 4.29Å; E63-I67 WeakPolarHBondContact O-CD1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.44Å; E63-I67 PolarHBondContact O-N 3.02Å; M64-I67 WeakPolarHBondContact O-CB 3.33Å; M64-I67 PolarHBondContact O-N 3.3Å; M64-I67 VanDerWaalsContact O-N 3.13Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 PolarHBondContact O-N 3.27Å; I67-S70 WeakPolarHBondContact CA-OG 3.26Å; I67-S70 PolarHBondContact O-N 3.33Å; I67-S70 PolarHBondContact O-OG 2.96Å; I67-Q71 HydrophobicContact CG2-CG 4.36Å; I67-Q71 WeakPolarHBondContact O-CB 3.43Å; I67-Q71 VanDerWaalsContact O-CG 3.31Å; I67-Q71 WeakPolarHBondContact O-CG 3.44Å; I67-Q71 PolarHBondContact O-N 3.37Å
68	E	65.9	Low	61.8	Low	94 Å²	94	73.3 Å²	73.3	44%	0.439	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-46.4	178.2	-72.3	-178.8	148.7	0	0	111.9	M64 E65 S70 Q71 N72 M101	M64-E68 PolarHBondContact O-N 2.93Å; E65-E68 PolarHBondContact O-N 3.17Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 2.96Å; E68-Q71 PolarHBondContact O-N 2.85Å; E68-N72 WeakPolarHBondContact O-CB 3.23Å; E68-N72 PolarHBondContact O-N 2.87Å; E68-M101 HydrophobicContact CB-CE 3.87Å; E68-M101 WeakPolarHBondContact OE2-CE 3.26Å
69	L	63.8	Low	62.9	Low	14 Å²	14	71 Å²	71	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-46.4	172.2	-87.6	160.1	0	0	0	111.7	L50 M54 E65 Q71 N72 I73 T98 M101	L50-L69 HydrophobicContact CD2-CD2 4.04Å; M54-L69 HydrophobicContact CE-CD1 3.85Å; M54-L69 HydrophobicContact SD-CD1 3.7Å; E65-L69 WeakPolarHBondContact O-CB 3.5Å; E65-L69 PolarHBondContact O-N 3.45Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 2.77Å; L69-N72 PolarHBondContact O-N 3.29Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 WeakPolarHBondContact O-CD1 3.48Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.09Å; L69-T98 HydrophobicContact CD2-CG2 3.77Å; L69-M101 HydrophobicContact CD1-SD 4.48Å
70	S	66.6	Low	64	Low	37 Å²	37	76.3 Å²	76.3	26%	0.259	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-37.1	179.9	77.7	0	0	0	0	112.6	L66 I67 E68 N74	L66-S70 WeakPolarHBondContact O-CB 3.27Å; L66-S70 PolarHBondContact O-N 2.69Å; L66-S70 PolarHBondContact O-OG 3.33Å; I67-S70 WeakPolarHBondContact CA-OG 3.26Å; I67-S70 PolarHBondContact O-N 3.33Å; I67-S70 PolarHBondContact O-OG 2.96Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 2.96Å; S70-N74 WeakPolarHBondContact O-CB 3.22Å; S70-N74 PolarHBondContact O-N 3Å
71	Q	65.9	Low	65	Low	100 Å²	100	70 Å²	70	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-69.5	-41.5	177.6	-75.8	-179.7	9	0	0	110.9	I67 E68 L69 N74 M75	I67-Q71 HydrophobicContact CG2-CG 4.36Å; I67-Q71 WeakPolarHBondContact O-CB 3.43Å; I67-Q71 VanDerWaalsContact O-CG 3.31Å; I67-Q71 WeakPolarHBondContact O-CG 3.44Å; I67-Q71 PolarHBondContact O-N 3.37Å; E68-Q71 PolarHBondContact O-N 2.85Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 2.77Å; Q71-N74 PolarHBondContact O-N 3.09Å; Q71-M75 HydrophobicContact CB-CE 4.45Å; Q71-M75 WeakPolarHBondContact O-CB 3.39Å; Q71-M75 WeakPolarHBondContact O-CG 3.32Å; Q71-M75 PolarHBondContact O-N 3.24Å
72	N	64.4	Low	66.1	Low	52 Å²	52	72.1 Å²	72.1	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-45.6	178.9	-155.2	8.4	0	0	0	111.1	E68 L69 N74 M75 N76	E68-N72 WeakPolarHBondContact O-CB 3.23Å; E68-N72 PolarHBondContact O-N 2.87Å; L69-N72 PolarHBondContact O-N 3.29Å; N72-N74 PolarHBondContact O-N 3.4Å; N72-M75 PolarHBondContact O-N 2.88Å; N72-N76 WeakPolarHBondContact O-CB 2.85Å; N72-N76 PolarHBondContact O-N 2.86Å; N72-N76 PolarHBondContact O-ND2 2.71Å; N72-N76 PolarHBondContact OD1-ND2 2.89Å
73	I	65.3	Low	66.3	Low	4 Å²	4	71.3 Å²	71.3	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-63.2	-40.5	173.5	-67.5	166.3	0	0	0	111.1	L50 L69 L77 G78 G79 V81	L50-I73 HydrophobicContact CD2-CD1 3.58Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 WeakPolarHBondContact O-CD1 3.48Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.09Å; I73-L77 HydrophobicContact CG1-CD1 4.33Å; I73-L77 HydrophobicContact CG2-CB 4.25Å; I73-L77 HydrophobicContact CG2-CD1 4.28Å; I73-L77 CarbonylContact O-C 3.36Å; I73-L77 VanDerWaalsContact O-CA 3.22Å; I73-L77 WeakPolarHBondContact O-CA 3.22Å; I73-L77 WeakPolarHBondContact O-CB 3.35Å; I73-L77 PolarHBondContact O-N 3.39Å; I73-G78 PolarHBondContact O-N 2.97Å; I73-G79 PolarHBondContact O-N 2.85Å; I73-V81 HydrophobicContact CB-CG2 4.49Å; I73-V81 HydrophobicContact CD1-CG2 3.98Å; I73-V81 HydrophobicContact CG1-CG2 4.09Å; I73-V81 HydrophobicContact CG2-CG2 3.57Å
74	N	65.7	Low	66.5	Low	101 Å²	101	70.9 Å²	70.9	54%	0.54	37%	0.369	S	S	.	.	H	α-helix	trans	-71.8	-34.3	-177.9	-164.4	59.2	0	0	0	113.1	S70 Q71 N72 G78 G79	S70-N74 WeakPolarHBondContact O-CB 3.22Å; S70-N74 PolarHBondContact O-N 3Å; Q71-N74 PolarHBondContact O-N 3.09Å; N72-N74 PolarHBondContact O-N 3.4Å; N74-G78 PolarHBondContact O-N 2.83Å; N74-G79 VanDerWaalsContact OD1-CA 3.3Å; N74-G79 WeakPolarHBondContact OD1-CA 3.46Å
75	M	64.7	Low	66.9	Low	147 Å²	147	66.8 Å²	66.8	72%	0.724	35%	0.35	S	S	*	.	H	α-helix	trans	-78.7	-36	178.2	-69.4	-168.6	-154.9	0	0	113	Q71 N72	Q71-M75 HydrophobicContact CB-CE 4.45Å; Q71-M75 WeakPolarHBondContact O-CB 3.39Å; Q71-M75 WeakPolarHBondContact O-CG 3.32Å; Q71-M75 PolarHBondContact O-N 3.24Å; N72-M75 PolarHBondContact O-N 2.88Å
76	N	56.1	Low	67.5	Low	120 Å²	120	65.1 Å²	65.1	64%	0.642	34%	0.342	S	S	*	.	H	α-helix	trans	-96.6	-32.2	-176.4	-70.6	-47.1	0	0	0	113.7	N72	N72-N76 WeakPolarHBondContact O-CB 2.85Å; N72-N76 PolarHBondContact O-N 2.86Å; N72-N76 PolarHBondContact O-ND2 2.71Å; N72-N76 PolarHBondContact OD1-ND2 2.89Å
77	L	61.5	Low	67.6	Low	44 Å²	44	63.9 Å²	63.9	23%	0.23	34%	0.336	C	S	.	.	S	Bend	trans	-121.1	7.1	-169.8	-50.4	172.6	0	0	0	112.8	I73 G79 R80 V81 D85 L89	I73-L77 HydrophobicContact CG1-CD1 4.33Å; I73-L77 HydrophobicContact CG2-CB 4.25Å; I73-L77 HydrophobicContact CG2-CD1 4.28Å; I73-L77 CarbonylContact O-C 3.36Å; I73-L77 VanDerWaalsContact O-CA 3.22Å; I73-L77 WeakPolarHBondContact O-CA 3.22Å; I73-L77 WeakPolarHBondContact O-CB 3.35Å; I73-L77 PolarHBondContact O-N 3.39Å; L77-G79 PolarHBondContact O-N 3.02Å; L77-R80 VanDerWaalsContact O-O 3.07Å; L77-V81 HydrophobicContact CD1-CG2 3.96Å; L77-D85 HydrophobicContact CD1-CB 4.14Å; L77-D85 HydrophobicContact CD2-CB 4.02Å; L77-D85 WeakPolarHBondContact CD2-OD1 3.21Å; L77-L89 HydrophobicContact CD1-CD1 3.76Å; L77-L89 HydrophobicContact CD1-CG 4.33Å
78	G	66.1	Low	67.4	Low	62 Å²	62	64.4 Å²	64.4	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	16.8	176.6	0	0	0	0	0	115	I73 N74	I73-G78 PolarHBondContact O-N 2.97Å; N74-G78 PolarHBondContact O-N 2.83Å
79	G	67.1	Low	67.2	Low	21 Å²	21	61.4 Å²	61.4	22%	0.216	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	6.1	169.9	0	0	0	0	0	115.1	I73 N74 L77	I73-G79 PolarHBondContact O-N 2.85Å; N74-G79 VanDerWaalsContact OD1-CA 3.3Å; N74-G79 WeakPolarHBondContact OD1-CA 3.46Å; L77-G79 PolarHBondContact O-N 3.02Å
80	R	70.9	Confident	66.7	Low	138 Å²	138	64.7 Å²	64.7	52%	0.521	34%	0.34	S	S	.	.			trans	-138.7	140.8	173.4	-58.8	-173.1	-164	-96.8	-2.5	108	F44 L77	F44-R80 HydrophobicContact CB-CB 4.11Å; F44-R80 HydrophobicContact CD1-CB 3.84Å; F44-R80 HydrophobicContact CG-CB 4.19Å; L77-R80 VanDerWaalsContact O-O 3.07Å
81	V	73.6	Confident	66	Low	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-105.7	111.9	179.2	176.2	0	0	0	0	108.1	F44 I45 I73 L77 D85 F86 L89	F44-V81 CarbonylContact C-O 3.52Å; F44-V81 WeakPolarHBondContact CA-O 3.46Å; I45-V81 HydrophobicContact CB-CB 4.21Å; I45-V81 PolarHBondContact N-O 3.16Å; I45-V81 PolarHBondContact O-N 2.75Å; I73-V81 HydrophobicContact CB-CG2 4.49Å; I73-V81 HydrophobicContact CD1-CG2 3.98Å; I73-V81 HydrophobicContact CG1-CG2 4.09Å; I73-V81 HydrophobicContact CG2-CG2 3.57Å; L77-V81 HydrophobicContact CD1-CG2 3.96Å; V81-D85 HydrophobicContact CG1-CB 3.91Å; V81-F86 HydrophobicContact CG1-CB 3.85Å; V81-L89 HydrophobicContact CB-CD1 4.21Å; V81-L89 HydrophobicContact CG1-CD1 3.34Å; V81-L89 HydrophobicContact CG2-CD1 3.78Å
82	D	78.1	Confident	65.1	Low	49 Å²	49	62.4 Å²	62.4	26%	0.262	33%	0.333	S	S	.	.			trans	-81.1	-179.9	172.7	74.9	16.9	0	0	0	111.7	F44 E84 D85 F86	F44-D82 HydrophobicContact CD1-CB 3.95Å; F44-D82 HydrophobicContact CE1-CB 3.91Å; D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 PolarHBondContact OD1-N 2.86Å; D82-D85 PolarHBondContact O-N 3.08Å; D82-D85 WeakPolarHBondContact OD1-CB 3.42Å; D82-D85 PolarHBondContact OD1-N 3.36Å; D82-F86 VanDerWaalsContact O-CB 3.25Å; D82-F86 WeakPolarHBondContact O-CB 3.35Å; D82-F86 PolarHBondContact O-N 2.74Å
83	F	73.6	Confident	63.7	Low	57 Å²	57	66 Å²	66	25%	0.25	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-35.8	-179.4	179.7	-109.8	0	0	0	112.9	L27 R31 F34 F86 V87	L27-F83 HydrophobicContact CD1-CE1 4.29Å; L27-F83 HydrophobicContact CD1-CZ 4.09Å; R31-F83 HydrophobicContact CB-CE2 3.83Å; R31-F83 HydrophobicContact CB-CZ 3.81Å; R31-F83 HydrophobicContact CG-CE2 4.12Å; R31-F83 HydrophobicContact CG-CZ 4.13Å; F34-F83 HydrophobicContact CB-CD2 3.77Å; F34-F83 HydrophobicContact CB-CE2 4.1Å; F34-F83 HydrophobicContact CD1-CB 4.37Å; F34-F83 HydrophobicContact CD1-CD2 4.06Å; F34-F83 HydrophobicContact CD2-CB 4.36Å; F34-F83 AromaticContact CD2-CD2 3.91Å; F34-F83 HydrophobicContact CD2-CD2 3.91Å; F34-F83 HydrophobicContact CE1-CB 4.19Å; F34-F83 HydrophobicContact CE2-CB 4.17Å; F34-F83 HydrophobicContact CG-CB 4.46Å; F34-F83 AromaticContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CD2 3.64Å; F34-F83 HydrophobicContact CG-CE2 4.45Å; F34-F83 HydrophobicContact CZ-CB 4.08Å; F83-F86 PolarHBondContact O-N 3.3Å; F83-V87 HydrophobicContact CD1-CG2 4.3Å; F83-V87 HydrophobicContact CD2-CG2 4.18Å; F83-V87 HydrophobicContact CE1-CG2 3.86Å; F83-V87 HydrophobicContact CE2-CG2 3.7Å; F83-V87 HydrophobicContact CG-CG2 4.47Å; F83-V87 HydrophobicContact CZ-CG2 3.55Å; F83-V87 WeakPolarHBondContact O-CB 3.23Å; F83-V87 WeakPolarHBondContact O-CG2 3.2Å; F83-V87 PolarHBondContact O-N 2.88Å
84	E	74.1	Confident	62.3	Low	151 Å²	151	67.4 Å²	67.4	71%	0.706	35%	0.353	S	S	*	.	H	α-helix	trans	-69.4	-40	179.3	-67	-171.5	152.9	0	0	110.4	D82 V87 E88	D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 PolarHBondContact OD1-N 2.86Å; E84-V87 PolarHBondContact O-N 2.75Å; E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.41Å
85	D	72.5	Confident	61	Low	42 Å²	42	66.1 Å²	66.1	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-40	174.1	-66.2	-31.4	0	0	0	111.7	L77 V81 D82 V87 E88 L89	L77-D85 HydrophobicContact CD1-CB 4.14Å; L77-D85 HydrophobicContact CD2-CB 4.02Å; L77-D85 WeakPolarHBondContact CD2-OD1 3.21Å; V81-D85 HydrophobicContact CG1-CB 3.91Å; D82-D85 PolarHBondContact O-N 3.08Å; D82-D85 WeakPolarHBondContact OD1-CB 3.42Å; D82-D85 PolarHBondContact OD1-N 3.36Å; D85-V87 VanDerWaalsContact C-N 3.35Å; D85-E88 CarbonylContact O-C 3.54Å; D85-E88 PolarHBondContact O-N 3.27Å; D85-L89 WeakPolarHBondContact O-CB 3.42Å; D85-L89 WeakPolarHBondContact O-CD1 3.21Å; D85-L89 WeakPolarHBondContact O-CG 3.43Å; D85-L89 PolarHBondContact O-N 3.44Å
86	F	70	Confident	59.7	Low	4 Å²	4	65.8 Å²	65.8	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-43	175.1	179.7	-102.3	0	0	0	111	L30 F34 F37 I45 L53 V81 D82 F83 E88 L89 M90	L30-F86 HydrophobicContact CD2-CE1 4.07Å; F34-F86 HydrophobicContact CB-CD1 4.06Å; F34-F86 HydrophobicContact CB-CE1 4.14Å; F34-F86 HydrophobicContact CD2-CB 3.58Å; F34-F86 AromaticContact CD2-CD1 3.71Å; F34-F86 HydrophobicContact CD2-CD1 3.71Å; F34-F86 HydrophobicContact CD2-CD2 4.2Å; F34-F86 HydrophobicContact CD2-CE1 4.42Å; F34-F86 AromaticContact CD2-CG 3.57Å; F34-F86 HydrophobicContact CD2-CG 3.57Å; F34-F86 HydrophobicContact CE2-CB 3.78Å; F34-F86 HydrophobicContact CE2-CG 4.22Å; F34-F86 HydrophobicContact CG-CD1 4.38Å; F37-F86 HydrophobicContact CD2-CE2 4.13Å; F37-F86 AromaticContact CD2-CZ 3.89Å; F37-F86 HydrophobicContact CD2-CZ 3.89Å; F37-F86 HydrophobicContact CE2-CE2 4.5Å; F37-F86 AromaticContact CE2-CZ 3.96Å; F37-F86 HydrophobicContact CE2-CZ 3.96Å; I45-F86 HydrophobicContact CD1-CD2 3.55Å; I45-F86 HydrophobicContact CD1-CE2 3.81Å; I45-F86 HydrophobicContact CD1-CG 4.12Å; L53-F86 HydrophobicContact CD2-CE2 4.46Å; V81-F86 HydrophobicContact CG1-CB 3.85Å; D82-F86 VanDerWaalsContact O-CB 3.25Å; D82-F86 WeakPolarHBondContact O-CB 3.35Å; D82-F86 PolarHBondContact O-N 2.74Å; F83-F86 PolarHBondContact O-N 3.3Å; F86-E88 VanDerWaalsContact C-N 3.35Å; F86-L89 WeakPolarHBondContact O-CB 3.26Å; F86-L89 PolarHBondContact O-N 3.41Å; F86-M90 HydrophobicContact CD1-CG 4.19Å; F86-M90 HydrophobicContact CD2-CG 4.24Å; F86-M90 HydrophobicContact CE1-CG 3.88Å; F86-M90 HydrophobicContact CE2-CG 3.94Å; F86-M90 HydrophobicContact CE2-SD 4.3Å; F86-M90 HydrophobicContact CG-CG 4.36Å; F86-M90 HydrophobicContact CZ-CE 4.28Å; F86-M90 HydrophobicContact CZ-CG 3.75Å; F86-M90 HydrophobicContact CZ-SD 4.2Å; F86-M90 VanDerWaalsContact O-CB 3.32Å; F86-M90 WeakPolarHBondContact O-CB 3.38Å; F86-M90 WeakPolarHBondContact O-CG 3.27Å; F86-M90 PolarHBondContact O-N 3.11Å
87	V	66.3	Low	58.7	Low	22 Å²	22	68 Å²	68	13%	0.133	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-44.9	172.6	169.9	0	0	0	0	109.5	L22 L27 L30 F83 E84 D85 L89 M90 T91	L22-V87 HydrophobicContact CD1-CG1 3.32Å; L27-V87 HydrophobicContact CD1-CG1 4.37Å; L27-V87 HydrophobicContact CD1-CG2 4.06Å; L30-V87 HydrophobicContact CB-CG2 4.49Å; L30-V87 HydrophobicContact CD1-CG2 4.4Å; F83-V87 HydrophobicContact CD1-CG2 4.3Å; F83-V87 HydrophobicContact CD2-CG2 4.18Å; F83-V87 HydrophobicContact CE1-CG2 3.86Å; F83-V87 HydrophobicContact CE2-CG2 3.7Å; F83-V87 HydrophobicContact CG-CG2 4.47Å; F83-V87 HydrophobicContact CZ-CG2 3.55Å; F83-V87 WeakPolarHBondContact O-CB 3.23Å; F83-V87 WeakPolarHBondContact O-CG2 3.2Å; F83-V87 PolarHBondContact O-N 2.88Å; E84-V87 PolarHBondContact O-N 2.75Å; D85-V87 VanDerWaalsContact C-N 3.35Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.13Å; V87-M90 PolarHBondContact O-N 3.1Å; V87-T91 WeakPolarHBondContact O-CA 3.39Å; V87-T91 WeakPolarHBondContact O-CB 3.45Å; V87-T91 PolarHBondContact O-N 2.88Å; V87-T91 PolarHBondContact O-OG1 3.21Å
88	E	64.1	Low	57.4	Low	90 Å²	90	67 Å²	67	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-31.9	177.3	-171.3	159.7	116.6	0	0	113.2	E84 D85 F86 K93	E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.41Å; D85-E88 CarbonylContact O-C 3.54Å; D85-E88 PolarHBondContact O-N 3.27Å; F86-E88 VanDerWaalsContact C-N 3.35Å; E88-K93 HydrophobicContact CG-CD 4.07Å; E88-K93 IonicContact OE1-NZ 2.69Å; E88-K93 IonicContact OE2-NZ 3.58Å; E88-K93 PolarHBondContact OE2-NZ 2.89Å
89	L	60	Low	56	Low	32 Å²	32	65.7 Å²	65.7	17%	0.168	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-41.9	173.4	-84.5	158.2	0	0	0	112.6	L77 V81 D85 F86 V87 L94	L77-L89 HydrophobicContact CD1-CD1 3.76Å; L77-L89 HydrophobicContact CD1-CG 4.33Å; V81-L89 HydrophobicContact CB-CD1 4.21Å; V81-L89 HydrophobicContact CG1-CD1 3.34Å; V81-L89 HydrophobicContact CG2-CD1 3.78Å; D85-L89 WeakPolarHBondContact O-CB 3.42Å; D85-L89 WeakPolarHBondContact O-CD1 3.21Å; D85-L89 WeakPolarHBondContact O-CG 3.43Å; D85-L89 PolarHBondContact O-N 3.44Å; F86-L89 WeakPolarHBondContact O-CB 3.26Å; F86-L89 PolarHBondContact O-N 3.41Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.13Å; L89-L94 VanDerWaalsContact CA-CD1 3.5Å; L89-L94 HydrophobicContact CB-CD1 4.15Å; L89-L94 HydrophobicContact CD2-CB 4.16Å; L89-L94 HydrophobicContact CD2-CD1 3.47Å; L89-L94 VanDerWaalsContact CD2-CD1 3.47Å; L89-L94 HydrophobicContact CD2-CD2 3.72Å; L89-L94 HydrophobicContact CD2-CG 3.91Å; L89-L94 HydrophobicContact CG-CD1 3.68Å; L89-L94 WeakPolarHBondContact O-CB 3.19Å
90	M	53.9	Low	54.7	Low	82 Å²	82	67.1 Å²	67.1	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-85.4	-21.9	179	-63.9	-70.3	-77.7	0	0	111.8	L30 F86 V87	L30-M90 HydrophobicContact CD2-CB 3.62Å; L30-M90 HydrophobicContact CD2-CE 4.03Å; L30-M90 HydrophobicContact CD2-CG 3.92Å; F86-M90 HydrophobicContact CD1-CG 4.19Å; F86-M90 HydrophobicContact CD2-CG 4.24Å; F86-M90 HydrophobicContact CE1-CG 3.88Å; F86-M90 HydrophobicContact CE2-CG 3.94Å; F86-M90 HydrophobicContact CE2-SD 4.3Å; F86-M90 HydrophobicContact CG-CG 4.36Å; F86-M90 HydrophobicContact CZ-CE 4.28Å; F86-M90 HydrophobicContact CZ-CG 3.75Å; F86-M90 HydrophobicContact CZ-SD 4.2Å; F86-M90 VanDerWaalsContact O-CB 3.32Å; F86-M90 WeakPolarHBondContact O-CB 3.38Å; F86-M90 WeakPolarHBondContact O-CG 3.27Å; F86-M90 PolarHBondContact O-N 3.11Å; V87-M90 PolarHBondContact O-N 3.1Å
91	T	52.2	Low	52.9	Low	31 Å²	31	62.2 Å²	62.2	19%	0.19	33%	0.33	C	S	.	.	S	Bend	trans	-74.7	151.9	170.6	-62.8	0	0	0	0	108.8	V87 K93 L94	V87-T91 WeakPolarHBondContact O-CA 3.39Å; V87-T91 WeakPolarHBondContact O-CB 3.45Å; V87-T91 PolarHBondContact O-N 2.88Å; V87-T91 PolarHBondContact O-OG1 3.21Å; T91-K93 PolarHBondContact O-N 2.99Å; T91-L94 PolarHBondContact O-N 2.77Å
92	P	46.7	Very low	51.3	Low	59 Å²	59	65.7 Å²	65.7	38%	0.383	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-4.6	-163	-27.4	35.1	0	0	0	118.8	L94 L95	P92-L94 VanDerWaalsContact C-N 3.32Å; P92-L94 PolarHBondContact O-N 2.92Å; P92-L95 HydrophobicContact CB-CD1 4.29Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å
93	K	35.7	Very low	49.6	Very low	127 Å²	127	65.3 Å²	65.3	55%	0.552	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-35.1	178	-72.7	-168.6	-174.5	168.4	0	112.9	E88 T91	E88-K93 HydrophobicContact CG-CD 4.07Å; E88-K93 IonicContact OE1-NZ 2.69Å; E88-K93 IonicContact OE2-NZ 3.58Å; E88-K93 PolarHBondContact OE2-NZ 2.89Å; T91-K93 PolarHBondContact O-N 2.99Å
94	L	35.5	Very low	47.9	Very low	33 Å²	33	65.7 Å²	65.7	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-98	-8.1	176.9	-84.3	131.4	0	0	0	113.3	L89 T91 P92 D96 T98	L89-L94 VanDerWaalsContact CA-CD1 3.5Å; L89-L94 HydrophobicContact CB-CD1 4.15Å; L89-L94 HydrophobicContact CD2-CB 4.16Å; L89-L94 HydrophobicContact CD2-CD1 3.47Å; L89-L94 VanDerWaalsContact CD2-CD1 3.47Å; L89-L94 HydrophobicContact CD2-CD2 3.72Å; L89-L94 HydrophobicContact CD2-CG 3.91Å; L89-L94 HydrophobicContact CG-CD1 3.68Å; L89-L94 WeakPolarHBondContact O-CB 3.19Å; T91-L94 PolarHBondContact O-N 2.77Å; P92-L94 VanDerWaalsContact C-N 3.32Å; P92-L94 PolarHBondContact O-N 2.92Å; L94-D96 PolarHBondContact O-N 2.65Å; L94-T98 WeakPolarHBondContact CD2-OG1 3.48Å; L94-T98 VanDerWaalsContact O-CA 3.29Å; L94-T98 WeakPolarHBondContact O-CA 3Å; L94-T98 WeakPolarHBondContact O-CB 3.43Å; L94-T98 PolarHBondContact O-N 2.9Å; L94-T98 PolarHBondContact O-OG1 3.45Å
95	L	38.6	Very low	46.4	Very low	75 Å²	75	63 Å²	63	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-70.6	-9.1	163.4	-65.8	175	0	0	0	113.1	L10 P92 A99	L10-L95 HydrophobicContact CD2-CD1 3.27Å; P92-L95 HydrophobicContact CB-CD1 4.29Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å; L95-A99 WeakPolarHBondContact O-CA 3.17Å; L95-A99 WeakPolarHBondContact O-CB 3.35Å
96	D	37.9	Very low	45.4	Very low	140 Å²	140	68 Å²	68	75%	0.749	37%	0.368	S	S	*	.	H	α-helix	trans	-99.3	-40.9	178	-130.8	-99.8	0	0	0	111.5	L94	L94-D96 PolarHBondContact O-N 2.65Å
97	E	34	Very low	44.5	Very low	165 Å²	165	68.5 Å²	68.5	77%	0.771	37%	0.371	S	S	*	.	H	α-helix	trans	-92	-24.4	177.8	-77.8	-178.1	108.6	0	0	114.1
98	T	34.3	Very low	43.8	Very low	24 Å²	24	75.7 Å²	75.7	15%	0.147	40%	0.396	C	S	.	.	S	Bend	trans	-105.9	-0.6	173.1	-4.6	0	0	0	0	112.7	L69 L94 G100 M101	L69-T98 HydrophobicContact CD2-CG2 3.77Å; L94-T98 WeakPolarHBondContact CD2-OG1 3.48Å; L94-T98 VanDerWaalsContact O-CA 3.29Å; L94-T98 WeakPolarHBondContact O-CA 3Å; L94-T98 WeakPolarHBondContact O-CB 3.43Å; L94-T98 PolarHBondContact O-N 2.9Å; L94-T98 PolarHBondContact O-OG1 3.45Å; T98-G100 PolarHBondContact O-N 2.89Å; T98-M101 PolarHBondContact O-N 2.56Å; T98-M101 VanDerWaalsContact O-N 3.09Å
99	A	37.8	Very low	43.5	Very low	35 Å²	35	75.4 Å²	75.4	29%	0.289	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-34.5	168.6	0	0	0	0	0	112.9	L95 M101 L104	L95-A99 WeakPolarHBondContact O-CA 3.17Å; L95-A99 WeakPolarHBondContact O-CB 3.35Å; A99-M101 PolarHBondContact O-N 3.36Å; A99-L104 PolarHBondContact O-N 3.33Å
100	G	39.1	Very low	43.4	Very low	50 Å²	50	74.8 Å²	74.8	52%	0.515	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23	-176.6	0	0	0	0	0	114.9	T98	T98-G100 PolarHBondContact O-N 2.89Å
101	M	34.1	Very low	43.6	Very low	35 Å²	35	71.4 Å²	71.4	17%	0.172	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-38.1	-168.9	-113.5	177.1	-97.4	0	0	114.5	Y59 E65 E68 L69 T98 A99	Y59-M101 PolarHBondContact OH-O 2.85Å; E65-M101 VanDerWaalsContact CA-SD 3.59Å; E65-M101 HydrophobicContact CB-CG 4.22Å; E65-M101 HydrophobicContact CB-SD 3.4Å; E65-M101 WeakPolarHBondContact CB-SD 3.32Å; E65-M101 HydrophobicContact CG-CG 3.76Å; E65-M101 HydrophobicContact CG-SD 3.51Å; E65-M101 VanDerWaalsContact CG-SD 3.51Å; E68-M101 HydrophobicContact CB-CE 3.87Å; E68-M101 WeakPolarHBondContact OE2-CE 3.26Å; L69-M101 HydrophobicContact CD1-SD 4.48Å; T98-M101 PolarHBondContact O-N 2.56Å; T98-M101 VanDerWaalsContact O-N 3.09Å; A99-M101 PolarHBondContact O-N 3.36Å
102	I	39.4	Very low	44.1	Very low	77 Å²	77	78.7 Å²	78.7	40%	0.395	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-42.5	-173.4	-55.1	176.3	0	0	0	111.1	M54	M54-I102 HydrophobicContact CE-CD1 3.7Å; M54-I102 HydrophobicContact CE-CG1 3.65Å
103	G	41.1	Very low	45	Very low	41 Å²	41	80.2 Å²	80.2	42%	0.423	41%	0.406	S	S	.	.	H	α-helix	trans	-77.8	-41.3	-178.4	0	0	0	0	0	113.6	K105 E106 L107	G103-K105 VanDerWaalsContact C-N 3.27Å; G103-K105 PolarHBondContact O-N 3.45Å; G103-E106 PolarHBondContact O-N 2.73Å; G103-L107 WeakPolarHBondContact O-CB 3.32Å; G103-L107 PolarHBondContact O-N 3.44Å
104	L	39.5	Very low	46.5	Very low	64 Å²	64	74.4 Å²	74.4	34%	0.335	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-32.2	-179.6	-79.3	-176.5	0	0	0	113.3	A99 L107 R108 F161	A99-L104 PolarHBondContact O-N 3.33Å; L104-L107 HydrophobicContact CD2-CD2 4.45Å; L104-R108 WeakPolarHBondContact O-CA 3.15Å; L104-R108 WeakPolarHBondContact O-CB 3.26Å; L104-R108 PolarHBondContact O-N 3.4Å; L104-F161 HydrophobicContact CD2-CZ 4.19Å
105	K	41.8	Very low	48.1	Very low	94 Å²	94	73.5 Å²	73.5	41%	0.409	38%	0.376	S	S	.	.	H	α-helix	trans	-73.5	-46.8	-177.9	-166.4	-177.1	179	-174.7	0	111.7	Y59 G103 L107 R108 D109	Y59-K105 HydrophobicContact CD2-CD 4.09Å; Y59-K105 HydrophobicContact CE2-CB 4.14Å; Y59-K105 HydrophobicContact CE2-CD 3.48Å; Y59-K105 VanDerWaalsContact CE2-CD 3.48Å; Y59-K105 HydrophobicContact CE2-CG 4.46Å; G103-K105 VanDerWaalsContact C-N 3.27Å; G103-K105 PolarHBondContact O-N 3.45Å; K105-L107 VanDerWaalsContact C-N 3.34Å; K105-R108 PolarHBondContact O-N 2.73Å; K105-D109 VanDerWaalsContact O-CB 3.31Å; K105-D109 WeakPolarHBondContact O-CB 3.25Å; K105-D109 PolarHBondContact O-N 3.38Å
106	E	50.8	Low	49.6	Very low	147 Å²	147	74.8 Å²	74.8	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-67.5	-36.8	174.3	-69.5	-148.4	112.2	0	0	111.9	G103 A110	G103-E106 PolarHBondContact O-N 2.73Å; E106-A110 WeakPolarHBondContact O-CB 3.34Å; E106-A110 PolarHBondContact O-N 2.83Å
107	L	51.8	Low	51.3	Low	16 Å²	16	73 Å²	73	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-46	173.6	-175.5	66	0	0	0	110.7	G103 L104 K105 A110 F111 F161 E166 I170	G103-L107 WeakPolarHBondContact O-CB 3.32Å; G103-L107 PolarHBondContact O-N 3.44Å; L104-L107 HydrophobicContact CD2-CD2 4.45Å; K105-L107 VanDerWaalsContact C-N 3.34Å; L107-A110 PolarHBondContact O-N 3.19Å; L107-F111 VanDerWaalsContact O-CB 3.26Å; L107-F111 WeakPolarHBondContact O-CB 3.34Å; L107-F111 PolarHBondContact O-N 3.44Å; L107-F161 HydrophobicContact CD2-CE2 4.19Å; L107-F161 HydrophobicContact CG-CE2 4.19Å; L107-E166 HydrophobicContact CD2-CB 3.77Å; L107-E166 HydrophobicContact CD2-CG 3.77Å; L107-I170 HydrophobicContact CD1-CD1 3.88Å; L107-I170 HydrophobicContact CD1-CG1 3.77Å
108	R	51.8	Low	53	Low	172 Å²	172	67.9 Å²	67.9	65%	0.649	36%	0.363	S	S	*	.	H	α-helix	trans	-68	-40	178.7	-176.1	-176.6	-174	-165.3	3.4	112.1	L104 K105 F111 R112 F161	L104-R108 WeakPolarHBondContact O-CA 3.15Å; L104-R108 WeakPolarHBondContact O-CB 3.26Å; L104-R108 PolarHBondContact O-N 3.4Å; K105-R108 PolarHBondContact O-N 2.73Å; R108-F111 PolarHBondContact O-N 2.89Å; R108-R112 WeakPolarHBondContact O-CB 3.39Å; R108-R112 PolarHBondContact O-N 2.84Å; R108-F161 HydrophobicContact CB-CZ 4.43Å
109	D	56.8	Low	54.9	Low	84 Å²	84	70.3 Å²	70.3	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-38.9	176	-78.9	-31.2	0	0	0	110.7	K105 E113	K105-D109 VanDerWaalsContact O-CB 3.31Å; K105-D109 WeakPolarHBondContact O-CB 3.25Å; K105-D109 PolarHBondContact O-N 3.38Å; D109-E113 PolarHBondContact O-N 3.47Å; D109-E113 VanDerWaalsContact O-N 3.1Å
110	A	58.4	Low	56.2	Low	19 Å²	19	70.3 Å²	70.3	16%	0.157	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-50.3	170.4	0	0	0	0	0	110.7	E106 L107 R112 E113 F114	E106-A110 WeakPolarHBondContact O-CB 3.34Å; E106-A110 PolarHBondContact O-N 2.83Å; L107-A110 PolarHBondContact O-N 3.19Å; A110-R112 VanDerWaalsContact C-N 3.25Å; A110-R112 PolarHBondContact O-N 3.42Å; A110-E113 WeakPolarHBondContact O-CA 3.13Å; A110-E113 VanDerWaalsContact O-CB 3.27Å; A110-E113 WeakPolarHBondContact O-CB 3.36Å; A110-E113 PolarHBondContact O-N 2.71Å; A110-F114 WeakPolarHBondContact O-CD2 3.31Å; A110-F114 PolarHBondContact O-N 3.45Å; A110-F114 VanDerWaalsContact O-N 3.13Å
111	F	58.6	Low	57.6	Low	12 Å²	12	68.7 Å²	68.7	5%	0.053	36%	0.36	C	S	.	.	H	α-helix	trans	-56.9	-41.3	179.5	-143.1	-89.3	0	0	0	111.3	L107 R108 E113 F114 D115 I122 V159 F161 I169	L107-F111 VanDerWaalsContact O-CB 3.26Å; L107-F111 WeakPolarHBondContact O-CB 3.34Å; L107-F111 PolarHBondContact O-N 3.44Å; R108-F111 PolarHBondContact O-N 2.89Å; F111-E113 PolarHBondContact O-N 2.87Å; F111-F114 CarbonylContact O-C 3.58Å; F111-F114 PolarHBondContact O-N 2.74Å; F111-F114 VanDerWaalsContact O-N 3.08Å; F111-D115 HydrophobicContact CD1-CB 4.43Å; F111-D115 WeakPolarHBondContact O-CB 2.94Å; F111-D115 PolarHBondContact O-N 3.2Å; F111-I122 HydrophobicContact CD1-CD1 3.62Å; F111-I122 HydrophobicContact CD1-CG1 3.84Å; F111-I122 HydrophobicContact CD2-CD1 3.78Å; F111-I122 HydrophobicContact CE1-CD1 3.5Å; F111-I122 VanDerWaalsContact CE1-CD1 3.5Å; F111-I122 HydrophobicContact CE1-CG1 3.53Å; F111-I122 HydrophobicContact CE2-CD1 3.7Å; F111-I122 HydrophobicContact CG-CD1 3.76Å; F111-I122 HydrophobicContact CG-CG1 4.47Å; F111-I122 HydrophobicContact CZ-CD1 3.54Å; F111-I122 HydrophobicContact CZ-CG1 3.95Å; F111-V159 HydrophobicContact CE2-CG1 4.43Å; F111-V159 HydrophobicContact CZ-CG1 4.21Å; F111-V159 WeakPolarHBondContact CZ-O 3.22Å; F111-F161 HydrophobicContact CB-CD2 4.15Å; F111-F161 HydrophobicContact CB-CE2 4.31Å; F111-F161 HydrophobicContact CD1-CB 4.36Å; F111-F161 AromaticContact CD1-CD2 3.95Å; F111-F161 HydrophobicContact CD1-CD2 3.95Å; F111-F161 AromaticContact CD2-CD2 3.64Å; F111-F161 HydrophobicContact CD2-CD2 3.64Å; F111-F161 HydrophobicContact CD2-CE2 4.25Å; F111-F161 HydrophobicContact CE1-CB 3.86Å; F111-F161 HydrophobicContact CE1-CD2 4.17Å; F111-F161 HydrophobicContact CE2-CB 4.37Å; F111-F161 AromaticContact CE2-CD2 3.85Å; F111-F161 HydrophobicContact CE2-CD2 3.85Å; F111-F161 AromaticContact CG-CD2 3.67Å; F111-F161 HydrophobicContact CG-CD2 3.67Å; F111-F161 HydrophobicContact CG-CE2 4.27Å; F111-F161 HydrophobicContact CZ-CB 3.87Å; F111-F161 HydrophobicContact CZ-CD2 4.13Å; F111-I169 HydrophobicContact CD2-CD1 4.02Å; F111-I169 HydrophobicContact CE2-CD1 3.32Å; F111-I169 HydrophobicContact CZ-CD1 4.2Å
112	R	63.3	Low	59.5	Low	184 Å²	184	67 Å²	67	69%	0.694	35%	0.352	S	S	*	.	H	α-helix	trans	-68.7	-20.3	175.3	-167.7	178	-171.7	-170.5	2.5	113.9	R108 A110	R108-R112 WeakPolarHBondContact O-CB 3.39Å; R108-R112 PolarHBondContact O-N 2.84Å; A110-R112 VanDerWaalsContact C-N 3.25Å; A110-R112 PolarHBondContact O-N 3.42Å
113	E	65.5	Low	61.3	Low	90 Å²	90	64.7 Å²	64.7	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-80.7	-25.4	171.7	-170.3	165.1	73.1	0	0	111.9	D109 A110 F111 L134 K173	D109-E113 PolarHBondContact O-N 3.47Å; D109-E113 VanDerWaalsContact O-N 3.1Å; A110-E113 WeakPolarHBondContact O-CA 3.13Å; A110-E113 VanDerWaalsContact O-CB 3.27Å; A110-E113 WeakPolarHBondContact O-CB 3.36Å; A110-E113 PolarHBondContact O-N 2.71Å; F111-E113 PolarHBondContact O-N 2.87Å; E113-L134 HydrophobicContact CG-CD2 4.44Å; E113-L134 WeakPolarHBondContact OE1-CD2 3.34Å; E113-K173 IonicContact OE1-NZ 3.94Å
114	F	66.7	Low	63	Low	5 Å²	5	65.4 Å²	65.4	2%	0.022	34%	0.339	C	S	.	.	H	α-helix	trans	-86.3	-41.8	172.8	-70	-85.8	0	0	0	112.7	A110 F111 I116 I122 E126 L127 A130 L134	A110-F114 WeakPolarHBondContact O-CD2 3.31Å; A110-F114 PolarHBondContact O-N 3.45Å; A110-F114 VanDerWaalsContact O-N 3.13Å; F111-F114 CarbonylContact O-C 3.58Å; F111-F114 PolarHBondContact O-N 2.74Å; F111-F114 VanDerWaalsContact O-N 3.08Å; F114-I116 PolarHBondContact O-N 2.96Å; F114-I122 HydrophobicContact CB-CD1 3.47Å; F114-I122 VanDerWaalsContact CB-CD1 3.47Å; F114-I122 HydrophobicContact CB-CG1 3.85Å; F114-I122 HydrophobicContact CB-CG2 4.19Å; F114-I122 HydrophobicContact CG-CD1 4.25Å; F114-E126 WeakPolarHBondContact O-CB 3.46Å; F114-L127 HydrophobicContact CD1-CD1 3.97Å; F114-L127 HydrophobicContact CE1-CD1 4.27Å; F114-A130 HydrophobicContact CB-CB 4.21Å; F114-A130 HydrophobicContact CD1-CB 3.12Å; F114-A130 HydrophobicContact CE1-CB 3.59Å; F114-A130 HydrophobicContact CG-CB 3.89Å; F114-L134 HydrophobicContact CD1-CD1 4.48Å; F114-L134 HydrophobicContact CE1-CD1 3.63Å; F114-L134 HydrophobicContact CE2-CD1 3.91Å; F114-L134 HydrophobicContact CZ-CD1 3.27Å
115	D	68.6	Low	64.7	Low	14 Å²	14	69.8 Å²	69.8	8%	0.075	36%	0.358	C	S	.	.			trans	-78.7	95.4	178.5	178.1	9	0	0	0	109.6	F111 D117 G118 D119 G120 I122	F111-D115 HydrophobicContact CD1-CB 4.43Å; F111-D115 WeakPolarHBondContact O-CB 2.94Å; F111-D115 PolarHBondContact O-N 3.2Å; D115-D117 VanDerWaalsContact OD1-OD1 3.09Å; D115-G118 VanDerWaalsContact CG-CA 3.47Å; D115-G118 WeakPolarHBondContact OD1-CA 3.45Å; D115-G118 PolarHBondContact OD1-N 3.23Å; D115-G118 VanDerWaalsContact OD2-C 3.31Å; D115-G118 VanDerWaalsContact OD2-CA 3.27Å; D115-G118 WeakPolarHBondContact OD2-CA 3.41Å; D115-D119 PolarHBondContact OD1-N 2.88Å; D115-D119 PolarHBondContact OD2-N 3.48Å; D115-G120 WeakPolarHBondContact OD2-CA 3.35Å; D115-G120 PolarHBondContact OD2-N 3.27Å; D115-I122 HydrophobicContact CB-CG1 4.11Å
116	I	70.8	Confident	66.4	Low	102 Å²	102	66 Å²	66	52%	0.523	34%	0.342	S	S	.	.	S	Bend	trans	-78.8	-37.8	-171.3	-60.1	176.2	0	0	0	109.9	F114 E126 F129	F114-I116 PolarHBondContact O-N 2.96Å; I116-E126 HydrophobicContact CB-CG 4.29Å; I116-E126 HydrophobicContact CD1-CG 4.21Å; I116-E126 HydrophobicContact CG1-CG 4.22Å; I116-E126 PolarHBondContact N-OE1 3.4Å; I116-F129 HydrophobicContact CD1-CB 4.03Å; I116-F129 HydrophobicContact CD1-CD1 3.43Å; I116-F129 VanDerWaalsContact CD1-CD1 3.43Å; I116-F129 HydrophobicContact CD1-CE1 4.14Å; I116-F129 HydrophobicContact CD1-CG 3.93Å
117	D	73.8	Confident	67.4	Low	104 Å²	104	59.3 Å²	59.3	56%	0.556	31%	0.311	S	S	*	.	S	Bend	trans	-85.3	-15.2	-179.2	72.5	13.5	0	0	0	113.4	D115 D119 E126	D115-D117 VanDerWaalsContact OD1-OD1 3.09Å; D117-D119 VanDerWaalsContact C-N 3.33Å; D117-D119 WeakPolarHBondContact OD1-CB 3.13Å; D117-D119 PolarHBondContact OD1-N 3.34Å; D117-E126 PolarHBondContact N-OE1 3.32Å; D117-E126 VanDerWaalsContact N-OE1 3.15Å
118	G	68.7	Low	68.4	Low	56 Å²	56	61.9 Å²	61.9	58%	0.577	32%	0.321	S	S	*	.			trans	75.3	22	176.8	0	0	0	0	0	112.8	D115 G120	D115-G118 VanDerWaalsContact CG-CA 3.47Å; D115-G118 WeakPolarHBondContact OD1-CA 3.45Å; D115-G118 PolarHBondContact OD1-N 3.23Å; D115-G118 VanDerWaalsContact OD2-C 3.31Å; D115-G118 VanDerWaalsContact OD2-CA 3.27Å; D115-G118 WeakPolarHBondContact OD2-CA 3.41Å; G118-G120 PolarHBondContact O-N 2.75Å
119	D	73.9	Confident	69.4	Low	76 Å²	76	59.4 Å²	59.4	41%	0.406	32%	0.316	S	S	.	.	S	Bend	trans	-75.1	-8.3	-178.3	89.4	2.4	0	0	0	113.2	D115 D117 S121 K158	D115-D119 PolarHBondContact OD1-N 2.88Å; D115-D119 PolarHBondContact OD2-N 3.48Å; D117-D119 VanDerWaalsContact C-N 3.33Å; D117-D119 WeakPolarHBondContact OD1-CB 3.13Å; D117-D119 PolarHBondContact OD1-N 3.34Å; D119-S121 VanDerWaalsContact OD1-CA 3.32Å; D119-S121 WeakPolarHBondContact OD1-CA 3.32Å; D119-S121 WeakPolarHBondContact OD1-CB 3.09Å; D119-S121 PolarHBondContact OD1-N 2.79Å; D119-S121 PolarHBondContact OD1-OG 3.2Å; D119-K158 IonicContact OD2-NZ 2.77Å; D119-K158 PolarHBondContact OD2-NZ 3.38Å
120	G	66.2	Low	69.9	Low	35 Å²	35	55.5 Å²	55.5	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	87.5	4.8	-179.2	0	0	0	0	0	114.2	D115 G118 F161	D115-G120 WeakPolarHBondContact OD2-CA 3.35Å; D115-G120 PolarHBondContact OD2-N 3.27Å; G118-G120 PolarHBondContact O-N 2.75Å; G120-F161 PolarHBondContact O-N 3.29Å
121	S	69	Low	70.2	Confident	15 Å²	15	55.1 Å²	55.1	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.6	179.2	11.7	0	0	0	0	110.1	D119 T123 V159	D119-S121 VanDerWaalsContact OD1-CA 3.32Å; D119-S121 WeakPolarHBondContact OD1-CA 3.32Å; D119-S121 WeakPolarHBondContact OD1-CB 3.09Å; D119-S121 PolarHBondContact OD1-N 2.79Å; D119-S121 PolarHBondContact OD1-OG 3.2Å; S121-T123 PolarHBondContact O-N 2.87Å; S121-V159 CarbonylContact C-O 3.54Å; S121-V159 WeakPolarHBondContact CA-O 3.37Å
122	I	73.6	Confident	70.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.4	178.9	-59.5	158.5	0	0	0	108.5	F111 F114 D115 E126 L127 V159	F111-I122 HydrophobicContact CD1-CD1 3.62Å; F111-I122 HydrophobicContact CD1-CG1 3.84Å; F111-I122 HydrophobicContact CD2-CD1 3.78Å; F111-I122 HydrophobicContact CE1-CD1 3.5Å; F111-I122 VanDerWaalsContact CE1-CD1 3.5Å; F111-I122 HydrophobicContact CE1-CG1 3.53Å; F111-I122 HydrophobicContact CE2-CD1 3.7Å; F111-I122 HydrophobicContact CG-CD1 3.76Å; F111-I122 HydrophobicContact CG-CG1 4.47Å; F111-I122 HydrophobicContact CZ-CD1 3.54Å; F111-I122 HydrophobicContact CZ-CG1 3.95Å; F114-I122 HydrophobicContact CB-CD1 3.47Å; F114-I122 VanDerWaalsContact CB-CD1 3.47Å; F114-I122 HydrophobicContact CB-CG1 3.85Å; F114-I122 HydrophobicContact CB-CG2 4.19Å; F114-I122 HydrophobicContact CG-CD1 4.25Å; D115-I122 HydrophobicContact CB-CG1 4.11Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-L127 HydrophobicContact CG2-CB 3.82Å; I122-L127 HydrophobicContact CG2-CD1 4.38Å; I122-V159 HydrophobicContact CB-CB 4.19Å; I122-V159 PolarHBondContact N-O 2.78Å; I122-V159 PolarHBondContact O-N 3.29Å
123	T	77.4	Confident	70.6	Confident	28 Å²	28	55.4 Å²	55.4	17%	0.172	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	159.1	172.3	62.3	0	0	0	0	111.7	S121 E125 E126 L127 K158	S121-T123 PolarHBondContact O-N 2.87Å; T123-E125 PolarHBondContact O-N 3.2Å; T123-E125 VanDerWaalsContact O-N 3.17Å; T123-E126 WeakPolarHBondContact CB-OE2 3.37Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.25Å; T123-E126 PolarHBondContact N-OE2 2.83Å; T123-E126 PolarHBondContact O-N 3.29Å; T123-E126 VanDerWaalsContact O-N 3.1Å; T123-E126 WeakPolarHBondContact OG1-CB 3.4Å; T123-E126 VanDerWaalsContact OG1-CG 3.23Å; T123-E126 WeakPolarHBondContact OG1-CG 3.11Å; T123-E126 PolarHBondContact OG1-N 3.08Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å; T123-L127 WeakPolarHBondContact O-CB 3.36Å; T123-L127 PolarHBondContact O-N 2.96Å; T123-K158 HydrophobicContact CG2-CD 4.33Å; T123-K158 HydrophobicContact CG2-CG 4.26Å
124	S	75.6	Confident	70.2	Confident	55 Å²	55	54.1 Å²	54.1	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-55.8	-31.4	174.5	58.9	0	0	0	0	113.5	K128	S124-K128 WeakPolarHBondContact O-CB 3.21Å; S124-K128 PolarHBondContact O-N 2.8Å; S124-K128 VanDerWaalsContact O-N 3.08Å
125	E	76.3	Confident	69.6	Low	156 Å²	156	56.1 Å²	56.1	73%	0.729	31%	0.305	S	S	*	.	H	α-helix	trans	-72.7	-40	176.6	-62.7	-171.2	97.9	0	0	112.2	T123 K128 F129	T123-E125 PolarHBondContact O-N 3.2Å; T123-E125 VanDerWaalsContact O-N 3.17Å; E125-K128 WeakPolarHBondContact O-CB 3.18Å; E125-K128 PolarHBondContact O-N 3.37Å; E125-F129 WeakPolarHBondContact O-CB 3.27Å; E125-F129 PolarHBondContact O-N 2.83Å
126	E	76.4	Confident	68.9	Low	15 Å²	15	58.7 Å²	58.7	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-70	-42.3	176.3	-74.4	172.1	124.8	0	0	112.1	F114 I116 D117 I122 T123 K128 F129 A130	F114-E126 WeakPolarHBondContact O-CB 3.46Å; I116-E126 HydrophobicContact CB-CG 4.29Å; I116-E126 HydrophobicContact CD1-CG 4.21Å; I116-E126 HydrophobicContact CG1-CG 4.22Å; I116-E126 PolarHBondContact N-OE1 3.4Å; D117-E126 PolarHBondContact N-OE1 3.32Å; D117-E126 VanDerWaalsContact N-OE1 3.15Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; T123-E126 WeakPolarHBondContact CB-OE2 3.37Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.25Å; T123-E126 PolarHBondContact N-OE2 2.83Å; T123-E126 PolarHBondContact O-N 3.29Å; T123-E126 VanDerWaalsContact O-N 3.1Å; T123-E126 WeakPolarHBondContact OG1-CB 3.4Å; T123-E126 VanDerWaalsContact OG1-CG 3.23Å; T123-E126 WeakPolarHBondContact OG1-CG 3.11Å; T123-E126 PolarHBondContact OG1-N 3.08Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å; E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 2.77Å; E126-F129 PolarHBondContact O-N 2.68Å; E126-A130 VanDerWaalsContact O-CB 3.3Å; E126-A130 WeakPolarHBondContact O-CB 3.32Å; E126-A130 PolarHBondContact O-N 3.46Å
127	L	72	Confident	68.3	Low	7 Å²	7	60 Å²	60	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-57.8	-44.6	172.7	-172.4	64.7	0	0	0	110.7	F114 I122 T123 A130 M131 I144 V147 V148	F114-L127 HydrophobicContact CD1-CD1 3.97Å; F114-L127 HydrophobicContact CE1-CD1 4.27Å; I122-L127 HydrophobicContact CG2-CB 3.82Å; I122-L127 HydrophobicContact CG2-CD1 4.38Å; T123-L127 WeakPolarHBondContact O-CB 3.36Å; T123-L127 PolarHBondContact O-N 2.96Å; L127-A130 PolarHBondContact O-N 2.92Å; L127-M131 HydrophobicContact CG-CG 4.44Å; L127-M131 WeakPolarHBondContact O-CB 3.39Å; L127-M131 WeakPolarHBondContact O-CG 3.4Å; L127-M131 PolarHBondContact O-N 3.39Å; L127-I144 HydrophobicContact CD2-CG2 4.14Å; L127-V147 HydrophobicContact CD2-CB 4.34Å; L127-V147 HydrophobicContact CD2-CG1 3.77Å; L127-V148 HydrophobicContact CD2-CG2 3.77Å
128	K	72.9	Confident	67.5	Low	70 Å²	70	63 Å²	63	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-49.7	174.7	-174.2	168.8	-177.1	-178.7	0	112.1	S124 E125 E126 A130 M131 I132 E141 I144	S124-K128 WeakPolarHBondContact O-CB 3.21Å; S124-K128 PolarHBondContact O-N 2.8Å; S124-K128 VanDerWaalsContact O-N 3.08Å; E125-K128 WeakPolarHBondContact O-CB 3.18Å; E125-K128 PolarHBondContact O-N 3.37Å; E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 2.77Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-M131 PolarHBondContact O-N 2.93Å; K128-I132 HydrophobicContact CG-CD1 4Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.23Å; K128-I132 PolarHBondContact O-N 2.78Å; K128-E141 IonicContact NZ-OE1 3.06Å; K128-I144 VanDerWaalsContact CA-CD1 3.49Å; K128-I144 HydrophobicContact CB-CD1 3.38Å; K128-I144 HydrophobicContact CD-CD1 3.9Å; K128-I144 HydrophobicContact CG-CD1 3.37Å
129	F	72.6	Confident	67.2	Low	120 Å²	120	61.4 Å²	61.4	53%	0.526	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-43.5	-177.2	-170.1	-93.4	0	0	0	111.4	I116 E125 E126 I132 K133	I116-F129 HydrophobicContact CD1-CB 4.03Å; I116-F129 HydrophobicContact CD1-CD1 3.43Å; I116-F129 VanDerWaalsContact CD1-CD1 3.43Å; I116-F129 HydrophobicContact CD1-CE1 4.14Å; I116-F129 HydrophobicContact CD1-CG 3.93Å; E125-F129 WeakPolarHBondContact O-CB 3.27Å; E125-F129 PolarHBondContact O-N 2.83Å; E126-F129 PolarHBondContact O-N 2.68Å; F129-I132 PolarHBondContact O-N 2.77Å; F129-K133 HydrophobicContact CE1-CD 4.28Å; F129-K133 VanDerWaalsContact O-CB 3.28Å; F129-K133 WeakPolarHBondContact O-CB 3.33Å; F129-K133 PolarHBondContact O-N 3.43Å
130	A	67.6	Low	66.8	Low	2 Å²	2	61 Å²	61	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-37.6	177.7	0	0	0	0	0	112.5	F114 E126 L127 K128 K133 L134	F114-A130 HydrophobicContact CB-CB 4.21Å; F114-A130 HydrophobicContact CD1-CB 3.12Å; F114-A130 HydrophobicContact CE1-CB 3.59Å; F114-A130 HydrophobicContact CG-CB 3.89Å; E126-A130 VanDerWaalsContact O-CB 3.3Å; E126-A130 WeakPolarHBondContact O-CB 3.32Å; E126-A130 PolarHBondContact O-N 3.46Å; L127-A130 PolarHBondContact O-N 2.92Å; K128-A130 VanDerWaalsContact C-N 3.34Å; A130-K133 PolarHBondContact O-N 2.77Å; A130-L134 WeakPolarHBondContact O-CB 3.33Å; A130-L134 WeakPolarHBondContact O-CG 3.12Å; A130-L134 PolarHBondContact O-N 3.06Å
131	M	64.7	Low	66.9	Low	10 Å²	10	66.5 Å²	66.5	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-47.3	171.6	-67.5	-121.1	92.4	0	0	111.5	L127 K128 K133 L134 L135 T139 V172	L127-M131 HydrophobicContact CG-CG 4.44Å; L127-M131 WeakPolarHBondContact O-CB 3.39Å; L127-M131 WeakPolarHBondContact O-CG 3.4Å; L127-M131 PolarHBondContact O-N 3.39Å; K128-M131 PolarHBondContact O-N 2.93Å; M131-K133 VanDerWaalsContact C-N 3.3Å; M131-K133 PolarHBondContact O-N 3.43Å; M131-L134 PolarHBondContact O-N 2.83Å; M131-L135 HydrophobicContact CE-CD1 3.41Å; M131-L135 VanDerWaalsContact CE-CD1 3.41Å; M131-L135 HydrophobicContact CE-CG 4.45Å; M131-L135 WeakPolarHBondContact O-CB 3.29Å; M131-L135 PolarHBondContact O-N 2.84Å; M131-L135 HydrophobicContact SD-CD1 4.42Å; M131-T139 VanDerWaalsContact CB-OG1 3.31Å; M131-T139 WeakPolarHBondContact CB-OG1 3.39Å; M131-T139 HydrophobicContact SD-CG2 3.98Å; M131-V172 HydrophobicContact CE-CG1 3.19Å; M131-V172 HydrophobicContact SD-CG1 3.92Å
132	I	67.6	Low	66.9	Low	61 Å²	61	74.2 Å²	74.2	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-40.4	177.6	-67.3	165.7	0	0	0	110.8	K128 F129 G136	K128-I132 HydrophobicContact CG-CD1 4Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.23Å; K128-I132 PolarHBondContact O-N 2.78Å; F129-I132 PolarHBondContact O-N 2.77Å; I132-G136 WeakPolarHBondContact O-CA 2.78Å; I132-G136 PolarHBondContact O-N 2.97Å
133	K	62.5	Low	66.5	Low	142 Å²	142	78.8 Å²	78.8	62%	0.617	40%	0.401	S	S	*	.	H	α-helix	trans	-72.2	-37	-178.6	-172.3	-178.2	175.6	-165.9	0	112.9	F129 A130 M131	F129-K133 HydrophobicContact CE1-CD 4.28Å; F129-K133 VanDerWaalsContact O-CB 3.28Å; F129-K133 WeakPolarHBondContact O-CB 3.33Å; F129-K133 PolarHBondContact O-N 3.43Å; A130-K133 PolarHBondContact O-N 2.77Å; M131-K133 VanDerWaalsContact C-N 3.3Å; M131-K133 PolarHBondContact O-N 3.43Å
134	L	57.2	Low	66.1	Low	63 Å²	63	77.8 Å²	77.8	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-89.8	-41.2	-174.3	-68.2	171.9	0	0	0	113.1	E113 F114 A130 M131	E113-L134 HydrophobicContact CG-CD2 4.44Å; E113-L134 WeakPolarHBondContact OE1-CD2 3.34Å; F114-L134 HydrophobicContact CD1-CD1 4.48Å; F114-L134 HydrophobicContact CE1-CD1 3.63Å; F114-L134 HydrophobicContact CE2-CD1 3.91Å; F114-L134 HydrophobicContact CZ-CD1 3.27Å; A130-L134 WeakPolarHBondContact O-CB 3.33Å; A130-L134 WeakPolarHBondContact O-CG 3.12Å; A130-L134 PolarHBondContact O-N 3.06Å; M131-L134 PolarHBondContact O-N 2.83Å
135	L	53.6	Low	65.7	Low	46 Å²	46	76.9 Å²	76.9	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-97.1	-14.6	-178	-61.5	174.3	0	0	0	112.6	M131 E137 D176	M131-L135 HydrophobicContact CE-CD1 3.41Å; M131-L135 VanDerWaalsContact CE-CD1 3.41Å; M131-L135 HydrophobicContact CE-CG 4.45Å; M131-L135 WeakPolarHBondContact O-CB 3.29Å; M131-L135 PolarHBondContact O-N 2.84Å; M131-L135 HydrophobicContact SD-CD1 4.42Å; L135-E137 PolarHBondContact O-N 3.46Å; L135-E137 VanDerWaalsContact O-N 3.16Å; L135-D176 HydrophobicContact CD1-CB 4.48Å; L135-D176 WeakPolarHBondContact CD1-OD2 3.31Å; L135-D176 HydrophobicContact CD2-CB 4.01Å
136	G	54.7	Low	65.3	Low	69 Å²	69	75.9 Å²	75.9	71%	0.711	39%	0.39	S	S	*	.			trans	68.5	7	-177.6	0	0	0	0	0	113.8	I132	I132-G136 WeakPolarHBondContact O-CA 2.78Å; I132-G136 PolarHBondContact O-N 2.97Å
137	E	57.8	Low	64.8	Low	129 Å²	129	76.3 Å²	76.3	60%	0.603	39%	0.393	S	S	*	.	S	Bend	trans	-110.8	142.1	-173.9	-157.9	164.1	165.7	0	0	110.7	L135 T139	L135-E137 PolarHBondContact O-N 3.46Å; L135-E137 VanDerWaalsContact O-N 3.16Å; E137-T139 PolarHBondContact O-N 3.23Å
138	Q	57.9	Low	64.7	Low	166 Å²	166	76.5 Å²	76.5	78%	0.776	39%	0.394	S	S	*	.			trans	-80.2	87	175	-66.5	-139.1	-42.8	0	0	109.2	S140	Q138-S140 PolarHBondContact O-N 2.71Å
139	T	61.4	Low	64.4	Low	24 Å²	24	81.4 Å²	81.4	15%	0.147	42%	0.416	C	S	.	.			trans	-63.2	131.6	168.4	23.3	0	0	0	0	110	M131 E137	M131-T139 VanDerWaalsContact CB-OG1 3.31Å; M131-T139 WeakPolarHBondContact CB-OG1 3.39Å; M131-T139 HydrophobicContact SD-CG2 3.98Å; E137-T139 PolarHBondContact O-N 3.23Å
140	S	66	Low	64	Low	68 Å²	68	81.1 Å²	81.1	48%	0.476	42%	0.416	S	S	.	.			trans	-73.4	150.2	-178.8	-69.8	0	0	0	0	110.6	Q138 K142 E143 I144	Q138-S140 PolarHBondContact O-N 2.71Å; S140-K142 PolarHBondContact O-N 3.35Å; S140-E143 PolarHBondContact N-OE2 2.82Å; S140-E143 PolarHBondContact O-N 3.4Å; S140-I144 PolarHBondContact O-N 3.46Å; S140-I144 VanDerWaalsContact O-N 3.15Å
141	E	69.1	Low	63.7	Low	149 Å²	149	81.7 Å²	81.7	70%	0.696	42%	0.419	S	S	*	.	H	α-helix	trans	-55.7	-25.8	177.4	-67	177.9	114.2	0	0	113.1	K128 G145	K128-E141 IonicContact NZ-OE1 3.06Å; E141-G145 PolarHBondContact O-N 3.28Å
142	K	68.7	Low	63.8	Low	177 Å²	177	82.7 Å²	82.7	77%	0.77	43%	0.425	S	S	*	.	H	α-helix	trans	-67.9	-44.4	173.8	-69.9	-174.8	177.7	-178.5	0	112.8	S140 I144 G145 E146	S140-K142 PolarHBondContact O-N 3.35Å; K142-I144 VanDerWaalsContact C-N 3.34Å; K142-G145 PolarHBondContact O-N 2.81Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.78Å
143	E	64.4	Low	63.5	Low	98 Å²	98	84.5 Å²	84.5	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-68	-41	-178.9	-64	173.4	115.2	0	0	110.1	S140 E146 V147	S140-E143 PolarHBondContact N-OE2 2.82Å; S140-E143 PolarHBondContact O-N 3.4Å; E143-E146 PolarHBondContact O-N 2.63Å; E143-V147 WeakPolarHBondContact O-CG2 3.44Å; E143-V147 PolarHBondContact O-N 3.24Å
144	I	69.6	Low	63.6	Low	6 Å²	6	82 Å²	82	3%	0.031	43%	0.429	C	S	.	.	H	α-helix	trans	-65.5	-42	175.2	-60.5	175.7	0	0	0	110.3	L127 K128 S140 K142 E146 V147 V148	L127-I144 HydrophobicContact CD2-CG2 4.14Å; K128-I144 VanDerWaalsContact CA-CD1 3.49Å; K128-I144 HydrophobicContact CB-CD1 3.38Å; K128-I144 HydrophobicContact CD-CD1 3.9Å; K128-I144 HydrophobicContact CG-CD1 3.37Å; S140-I144 PolarHBondContact O-N 3.46Å; S140-I144 VanDerWaalsContact O-N 3.15Å; K142-I144 VanDerWaalsContact C-N 3.34Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 2.87Å; I144-V147 PolarHBondContact O-N 2.58Å; I144-V148 HydrophobicContact CG2-CG2 4.26Å; I144-V148 WeakPolarHBondContact O-CB 3.49Å; I144-V148 VanDerWaalsContact O-CG2 3.25Å; I144-V148 WeakPolarHBondContact O-CG2 3.36Å; I144-V148 PolarHBondContact O-N 3.04Å
145	G	66.8	Low	64.2	Low	37 Å²	37	81.9 Å²	81.9	38%	0.381	44%	0.443	S	S	.	.	H	α-helix	trans	-63	-34.6	174.8	0	0	0	0	0	113.3	E141 K142 K149	E141-G145 PolarHBondContact O-N 3.28Å; K142-G145 PolarHBondContact O-N 2.81Å; G145-K149 WeakPolarHBondContact O-CB 3.47Å; G145-K149 PolarHBondContact O-N 3.09Å
146	E	68.4	Low	65.2	Low	135 Å²	135	83.7 Å²	83.7	63%	0.631	45%	0.453	S	S	*	.	H	α-helix	trans	-68.9	-44.4	173	-74	-173.2	148.8	0	0	111.5	K142 E143 I144 K149 E150	K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.78Å; E143-E146 PolarHBondContact O-N 2.63Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 2.87Å; E146-K149 PolarHBondContact O-N 3.03Å; E146-E150 WeakPolarHBondContact O-CG 3.5Å; E146-E150 PolarHBondContact O-N 3.22Å
147	V	64.8	Low	65.9	Low	23 Å²	23	82 Å²	82	14%	0.139	44%	0.435	C	S	.	.	H	α-helix	trans	-62	-50.3	176.4	172.3	0	0	0	0	111.2	L127 E143 I144 K149 E150 V151 V172	L127-V147 HydrophobicContact CD2-CB 4.34Å; L127-V147 HydrophobicContact CD2-CG1 3.77Å; E143-V147 WeakPolarHBondContact O-CG2 3.44Å; E143-V147 PolarHBondContact O-N 3.24Å; I144-V147 PolarHBondContact O-N 2.58Å; V147-K149 VanDerWaalsContact C-N 3.29Å; V147-K149 PolarHBondContact O-N 2.97Å; V147-E150 PolarHBondContact O-N 3.01Å; V147-E150 VanDerWaalsContact O-N 3.14Å; V147-V151 VanDerWaalsContact O-CG2 3.29Å; V147-V151 WeakPolarHBondContact O-CG2 3.44Å; V147-V151 PolarHBondContact O-N 3.06Å; V147-V151 VanDerWaalsContact O-N 3.17Å; V147-V172 HydrophobicContact CG1-CG1 4.43Å; V147-V172 HydrophobicContact CG1-CG2 3.74Å; V147-V172 HydrophobicContact CG2-CG2 3.94Å
148	V	69.9	Low	66.4	Low	11 Å²	11	78.9 Å²	78.9	7%	0.067	42%	0.419	C	S	.	.	H	α-helix	trans	-57.5	-47.2	177.5	172.6	0	0	0	0	108.9	L127 I144 E150 V151 D152	L127-V148 HydrophobicContact CD2-CG2 3.77Å; I144-V148 HydrophobicContact CG2-CG2 4.26Å; I144-V148 WeakPolarHBondContact O-CB 3.49Å; I144-V148 VanDerWaalsContact O-CG2 3.25Å; I144-V148 WeakPolarHBondContact O-CG2 3.36Å; I144-V148 PolarHBondContact O-N 3.04Å; V148-E150 VanDerWaalsContact C-N 3.28Å; V148-E150 PolarHBondContact O-N 3.43Å; V148-V151 CarbonylContact O-C 3.59Å; V148-V151 PolarHBondContact O-N 2.93Å; V148-V151 VanDerWaalsContact O-N 3.08Å; V148-D152 HydrophobicContact CG1-CB 4.17Å; V148-D152 WeakPolarHBondContact O-CA 3.22Å; V148-D152 WeakPolarHBondContact O-CB 3.28Å; V148-D152 PolarHBondContact O-N 3.25Å
149	K	67.9	Low	66.9	Low	173 Å²	173	71.1 Å²	71.1	75%	0.752	38%	0.384	S	S	*	.	H	α-helix	trans	-64.8	-26.3	179.8	-172.4	178	179.5	-175.9	0	114.7	G145 E146 V147	G145-K149 WeakPolarHBondContact O-CB 3.47Å; G145-K149 PolarHBondContact O-N 3.09Å; E146-K149 PolarHBondContact O-N 3.03Å; V147-K149 VanDerWaalsContact C-N 3.29Å; V147-K149 PolarHBondContact O-N 2.97Å
150	E	64	Low	67	Low	115 Å²	115	72.8 Å²	72.8	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-78	-24.8	175.2	-76.2	-168.9	128.1	0	0	112.9	E146 V147 V148 K165	E146-E150 WeakPolarHBondContact O-CG 3.5Å; E146-E150 PolarHBondContact O-N 3.22Å; V147-E150 PolarHBondContact O-N 3.01Å; V147-E150 VanDerWaalsContact O-N 3.14Å; V148-E150 VanDerWaalsContact C-N 3.28Å; V148-E150 PolarHBondContact O-N 3.43Å; E150-K165 PolarHBondContact O-NZ 3.22Å
151	V	60.7	Low	66.5	Low	13 Å²	13	72.8 Å²	72.8	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-107.1	-25	-173.9	-170.5	0	0	0	0	112.5	V147 V148 D153 V159 N168 I169	V147-V151 VanDerWaalsContact O-CG2 3.29Å; V147-V151 WeakPolarHBondContact O-CG2 3.44Å; V147-V151 PolarHBondContact O-N 3.06Å; V147-V151 VanDerWaalsContact O-N 3.17Å; V148-V151 CarbonylContact O-C 3.59Å; V148-V151 PolarHBondContact O-N 2.93Å; V148-V151 VanDerWaalsContact O-N 3.08Å; V151-D153 PolarHBondContact O-N 3.49Å; V151-D153 VanDerWaalsContact O-N 3.09Å; V151-V159 HydrophobicContact CB-CG1 4.43Å; V151-V159 HydrophobicContact CB-CG2 4.14Å; V151-V159 HydrophobicContact CG1-CB 4.44Å; V151-V159 HydrophobicContact CG1-CG1 3.55Å; V151-V159 HydrophobicContact CG1-CG2 4.14Å; V151-N168 HydrophobicContact CG2-CB 3.64Å; V151-I169 HydrophobicContact CG1-CD1 4.13Å; V151-I169 HydrophobicContact CG1-CG1 3.91Å
152	D	67.6	Low	65.6	Low	32 Å²	32	74.9 Å²	74.9	17%	0.171	39%	0.393	C	S	.	.			trans	-73.3	93.5	175.4	178.5	10.4	0	0	0	109.9	V148 N154 G155 D156 G157	V148-D152 HydrophobicContact CG1-CB 4.17Å; V148-D152 WeakPolarHBondContact O-CA 3.22Å; V148-D152 WeakPolarHBondContact O-CB 3.28Å; V148-D152 PolarHBondContact O-N 3.25Å; D152-N154 PolarHBondContact OD1-N 3.35Å; D152-N154 PolarHBondContact OD1-OD1 3.03Å; D152-G155 VanDerWaalsContact OD1-CA 3.23Å; D152-G155 WeakPolarHBondContact OD1-CA 3.4Å; D152-G155 PolarHBondContact OD1-N 2.81Å; D152-G155 WeakPolarHBondContact OD2-CA 3.23Å; D152-D156 PolarHBondContact OD1-N 3.46Å; D152-D156 PolarHBondContact OD2-N 3.1Å; D152-G157 WeakPolarHBondContact OD2-CA 3.39Å; D152-G157 PolarHBondContact OD2-N 2.96Å
153	D	59.5	Low	64.4	Low	99 Å²	99	67.7 Å²	67.7	53%	0.529	37%	0.369	S	S	.	.	S	Bend	trans	-84.5	-23.4	178.3	-84.6	-66.1	0	0	0	113	V151 K165	V151-D153 PolarHBondContact O-N 3.49Å; V151-D153 VanDerWaalsContact O-N 3.09Å; D153-K165 IonicContact OD1-NZ 3.99Å; D153-K165 PolarHBondContact OD1-NZ 2.8Å; D153-K165 IonicContact OD2-NZ 3.96Å; D153-K165 PolarHBondContact OD2-NZ 3.01Å
154	N	65	Low	63.2	Low	89 Å²	89	72.8 Å²	72.8	48%	0.476	39%	0.39	S	S	.	.	S	Bend	trans	-94.2	-11.6	-177	75.8	5.7	0	0	0	112.3	D152 D156 D160	D152-N154 PolarHBondContact OD1-N 3.35Å; D152-N154 PolarHBondContact OD1-OD1 3.03Å; N154-D156 VanDerWaalsContact C-N 3.33Å; N154-D156 VanDerWaalsContact CG-CG 3.43Å; N154-D156 PolarHBondContact ND2-OD2 3.01Å; N154-D156 VanDerWaalsContact OD1-CB 3.26Å; N154-D156 WeakPolarHBondContact OD1-CB 3.04Å; N154-D156 PolarHBondContact OD1-N 3.44Å; N154-D156 PolarHBondContact OD1-OD1 3.43Å; N154-D156 PolarHBondContact OD1-OD2 2.96Å; N154-D160 PolarHBondContact ND2-OD2 3.46Å
155	G	69.8	Low	61.9	Low	61 Å²	61	76 Å²	76	63%	0.629	40%	0.403	S	S	*	.	S	Bend	trans	74	18.9	178.6	0	0	0	0	0	113.9	D152 G157	D152-G155 VanDerWaalsContact OD1-CA 3.23Å; D152-G155 WeakPolarHBondContact OD1-CA 3.4Å; D152-G155 PolarHBondContact OD1-N 2.81Å; D152-G155 WeakPolarHBondContact OD2-CA 3.23Å; G155-G157 VanDerWaalsContact C-N 3.35Å
156	D	75.1	Confident	60.8	Low	83 Å²	83	78.4 Å²	78.4	44%	0.444	41%	0.405	S	S	.	.	S	Bend	trans	-88.9	-3	-177.4	77.8	-0.6	0	0	0	113.5	D152 N154 K158	D152-D156 PolarHBondContact OD1-N 3.46Å; D152-D156 PolarHBondContact OD2-N 3.1Å; N154-D156 VanDerWaalsContact C-N 3.33Å; N154-D156 VanDerWaalsContact CG-CG 3.43Å; N154-D156 PolarHBondContact ND2-OD2 3.01Å; N154-D156 VanDerWaalsContact OD1-CB 3.26Å; N154-D156 WeakPolarHBondContact OD1-CB 3.04Å; N154-D156 PolarHBondContact OD1-N 3.44Å; N154-D156 PolarHBondContact OD1-OD1 3.43Å; N154-D156 PolarHBondContact OD1-OD2 2.96Å; D156-K158 VanDerWaalsContact C-N 3.29Å; D156-K158 WeakPolarHBondContact OD1-CA 3.47Å; D156-K158 VanDerWaalsContact OD1-CB 3.23Å; D156-K158 WeakPolarHBondContact OD1-CB 3.41Å; D156-K158 PolarHBondContact OD1-N 3.5Å
157	G	69.3	Low	59.6	Low	33 Å²	33	77.9 Å²	77.9	34%	0.34	40%	0.402	S	S	.	.	S	Bend	trans	77.5	11.9	-178.8	0	0	0	0	0	114.2	D152 G155	D152-G157 WeakPolarHBondContact OD2-CA 3.39Å; D152-G157 PolarHBondContact OD2-N 2.96Å; G155-G157 VanDerWaalsContact C-N 3.35Å
158	K	68.6	Low	58.5	Low	64 Å²	64	79.3 Å²	79.3	28%	0.278	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	162.3	172.9	-57.3	-174.2	164	-151.2	0	110.4	D119 T123 D156	D119-K158 IonicContact OD2-NZ 2.77Å; D119-K158 PolarHBondContact OD2-NZ 3.38Å; T123-K158 HydrophobicContact CG2-CD 4.33Å; T123-K158 HydrophobicContact CG2-CG 4.26Å; D156-K158 VanDerWaalsContact C-N 3.29Å; D156-K158 WeakPolarHBondContact OD1-CA 3.47Å; D156-K158 VanDerWaalsContact OD1-CB 3.23Å; D156-K158 WeakPolarHBondContact OD1-CB 3.41Å; D156-K158 PolarHBondContact OD1-N 3.5Å
159	V	68.9	Low	57.1	Low	4 Å²	4	79.8 Å²	79.8	2%	0.024	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	101.1	176.2	173	0	0	0	0	108.2	F111 S121 I122 V151 I169	F111-V159 HydrophobicContact CE2-CG1 4.43Å; F111-V159 HydrophobicContact CZ-CG1 4.21Å; F111-V159 WeakPolarHBondContact CZ-O 3.22Å; S121-V159 CarbonylContact C-O 3.54Å; S121-V159 WeakPolarHBondContact CA-O 3.37Å; I122-V159 HydrophobicContact CB-CB 4.19Å; I122-V159 PolarHBondContact N-O 2.78Å; I122-V159 PolarHBondContact O-N 3.29Å; V151-V159 HydrophobicContact CB-CG1 4.43Å; V151-V159 HydrophobicContact CB-CG2 4.14Å; V151-V159 HydrophobicContact CG1-CB 4.44Å; V151-V159 HydrophobicContact CG1-CG1 3.55Å; V151-V159 HydrophobicContact CG1-CG2 4.14Å; V159-I169 HydrophobicContact CG1-CD1 3.34Å; V159-I169 HydrophobicContact CG1-CG1 4.06Å
160	D	63.2	Low	55.8	Low	58 Å²	58	75.1 Å²	75.1	31%	0.31	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.8	178.8	-63	-54.1	0	0	0	112.1	N154 E162 G163	N154-D160 PolarHBondContact ND2-OD2 3.46Å; D160-E162 PolarHBondContact O-N 2.78Å; D160-G163 PolarHBondContact O-N 3.45Å
161	F	56.1	Low	54.6	Low	69 Å²	69	71.9 Å²	71.9	30%	0.303	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.3	171.1	-170.6	-102.5	0	0	0	112.9	L104 L107 R108 F111 G120	L104-F161 HydrophobicContact CD2-CZ 4.19Å; L107-F161 HydrophobicContact CD2-CE2 4.19Å; L107-F161 HydrophobicContact CG-CE2 4.19Å; R108-F161 HydrophobicContact CB-CZ 4.43Å; F111-F161 HydrophobicContact CB-CD2 4.15Å; F111-F161 HydrophobicContact CB-CE2 4.31Å; F111-F161 HydrophobicContact CD1-CB 4.36Å; F111-F161 AromaticContact CD1-CD2 3.95Å; F111-F161 HydrophobicContact CD1-CD2 3.95Å; F111-F161 AromaticContact CD2-CD2 3.64Å; F111-F161 HydrophobicContact CD2-CD2 3.64Å; F111-F161 HydrophobicContact CD2-CE2 4.25Å; F111-F161 HydrophobicContact CE1-CB 3.86Å; F111-F161 HydrophobicContact CE1-CD2 4.17Å; F111-F161 HydrophobicContact CE2-CB 4.37Å; F111-F161 AromaticContact CE2-CD2 3.85Å; F111-F161 HydrophobicContact CE2-CD2 3.85Å; F111-F161 AromaticContact CG-CD2 3.67Å; F111-F161 HydrophobicContact CG-CD2 3.67Å; F111-F161 HydrophobicContact CG-CE2 4.27Å; F111-F161 HydrophobicContact CZ-CB 3.87Å; F111-F161 HydrophobicContact CZ-CD2 4.13Å; G120-F161 PolarHBondContact O-N 3.29Å
162	E	50.2	Low	53.7	Low	193 Å²	193	72.2 Å²	72.2	90%	0.902	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-4.3	-177.4	-105.1	-177.1	91.3	0	0	114.5	D160	D160-E162 PolarHBondContact O-N 2.78Å
163	G	42	Very low	52.4	Low	26 Å²	26	74 Å²	74	27%	0.268	40%	0.395	S	S	.	.	S	Bend	trans	-83	129.3	-178.9	0	0	0	0	0	112	D160 K165	D160-G163 PolarHBondContact O-N 3.45Å; G163-K165 PolarHBondContact O-N 3.26Å
164	K	40.7	Very low	51.3	Low	205 Å²	205	75.4 Å²	75.4	89%	0.891	39%	0.394	S	S	*	.	S	Bend	trans	-67.7	39.7	-172.3	-69.7	-179.6	169.9	172.3	0	116.2
165	K	40.4	Very low	50	Low	73 Å²	73	79.3 Å²	79.3	32%	0.317	40%	0.402	S	S	.	.			trans	-134.4	47.9	171.2	-61.1	-154.3	-155.3	88.3	0	111.8	E150 D153 G163 E167 N168	E150-K165 PolarHBondContact O-NZ 3.22Å; D153-K165 IonicContact OD1-NZ 3.99Å; D153-K165 PolarHBondContact OD1-NZ 2.8Å; D153-K165 IonicContact OD2-NZ 3.96Å; D153-K165 PolarHBondContact OD2-NZ 3.01Å; G163-K165 PolarHBondContact O-N 3.26Å; K165-E167 PolarHBondContact O-N 2.81Å; K165-N168 PolarHBondContact O-N 3.39Å; K165-N168 VanDerWaalsContact O-N 3.09Å
166	E	45.1	Very low	48.4	Very low	87 Å²	87	79 Å²	79	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-50.7	-22.3	167.8	-63.6	175.4	139.8	0	0	112.4	L107 I170	L107-E166 HydrophobicContact CD2-CB 3.77Å; L107-E166 HydrophobicContact CD2-CG 3.77Å; E166-I170 WeakPolarHBondContact O-CD1 3.12Å; E166-I170 WeakPolarHBondContact O-CG1 3.3Å
167	E	43.3	Very low	46.4	Very low	124 Å²	124	83.1 Å²	83.1	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-73.6	-25.1	179.2	-57.1	-169.3	-139.7	0	0	114.8	K165 A171	K165-E167 PolarHBondContact O-N 2.81Å; E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.48Å
168	N	40.6	Very low	44.6	Very low	54 Å²	54	86.8 Å²	86.8	29%	0.289	41%	0.412	S	S	.	.	H	α-helix	trans	-86.1	-32.2	-171.6	-91.2	-2.3	0	0	0	113.9	V151 K165 I170 A171 V172	V151-N168 HydrophobicContact CG2-CB 3.64Å; K165-N168 PolarHBondContact O-N 3.39Å; K165-N168 VanDerWaalsContact O-N 3.09Å; N168-I170 VanDerWaalsContact C-N 3.31Å; N168-A171 WeakPolarHBondContact O-CB 3.43Å; N168-A171 PolarHBondContact O-N 3.25Å; N168-V172 VanDerWaalsContact O-CG2 3.32Å; N168-V172 WeakPolarHBondContact O-CG2 3.46Å; N168-V172 PolarHBondContact O-N 2.88Å; N168-V172 VanDerWaalsContact O-N 3.1Å
169	I	41.6	Very low	42.7	Very low	20 Å²	20	87.9 Å²	87.9	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-70	-36.5	178.7	-57.9	169.2	0	0	0	109.9	F111 V151 V159 V172 K173	F111-I169 HydrophobicContact CD2-CD1 4.02Å; F111-I169 HydrophobicContact CE2-CD1 3.32Å; F111-I169 HydrophobicContact CZ-CD1 4.2Å; V151-I169 HydrophobicContact CG1-CD1 4.13Å; V151-I169 HydrophobicContact CG1-CG1 3.91Å; V159-I169 HydrophobicContact CG1-CD1 3.34Å; V159-I169 HydrophobicContact CG1-CG1 4.06Å; I169-V172 PolarHBondContact O-N 2.98Å; I169-K173 PolarHBondContact O-N 3.33Å
170	I	41.2	Very low	40.6	Very low	75 Å²	75	94.1 Å²	94.1	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-44.7	172.2	-49.9	173.9	0	0	0	110	L107 E166 N168 V172 K173 Y174	L107-I170 HydrophobicContact CD1-CD1 3.88Å; L107-I170 HydrophobicContact CD1-CG1 3.77Å; E166-I170 WeakPolarHBondContact O-CD1 3.12Å; E166-I170 WeakPolarHBondContact O-CG1 3.3Å; N168-I170 VanDerWaalsContact C-N 3.31Å; I170-V172 PolarHBondContact O-N 3.38Å; I170-V172 VanDerWaalsContact O-N 3.16Å; I170-K173 PolarHBondContact O-N 3.48Å; I170-Y174 HydrophobicContact CG2-CD2 3.53Å; I170-Y174 HydrophobicContact CG2-CE2 3.69Å; I170-Y174 WeakPolarHBondContact O-CD2 3.32Å; I170-Y174 PolarHBondContact O-N 2.87Å
171	A	38.7	Very low	38.8	Very low	48 Å²	48	96.5 Å²	96.5	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-57.3	-32.9	177.3	0	0	0	0	0	112.5	E167 N168 R175	E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.48Å; N168-A171 WeakPolarHBondContact O-CB 3.43Å; N168-A171 PolarHBondContact O-N 3.25Å; A171-R175 WeakPolarHBondContact O-CA 3.21Å; A171-R175 VanDerWaalsContact O-CB 3.26Å; A171-R175 WeakPolarHBondContact O-CB 3.47Å; A171-R175 PolarHBondContact O-N 3.25Å
172	V	40.3	Very low	37.5	Very low	20 Å²	20	102.1 Å²	102.1	12%	0.121	52%	0.516	C	S	.	.	H	α-helix	trans	-73.2	-38.3	175.9	170.6	0	0	0	0	112.2	M131 V147 N168 I169 I170 Y174	M131-V172 HydrophobicContact CE-CG1 3.19Å; M131-V172 HydrophobicContact SD-CG1 3.92Å; V147-V172 HydrophobicContact CG1-CG1 4.43Å; V147-V172 HydrophobicContact CG1-CG2 3.74Å; V147-V172 HydrophobicContact CG2-CG2 3.94Å; N168-V172 VanDerWaalsContact O-CG2 3.32Å; N168-V172 WeakPolarHBondContact O-CG2 3.46Å; N168-V172 PolarHBondContact O-N 2.88Å; N168-V172 VanDerWaalsContact O-N 3.1Å; I169-V172 PolarHBondContact O-N 2.98Å; I170-V172 PolarHBondContact O-N 3.38Å; I170-V172 VanDerWaalsContact O-N 3.16Å; V172-Y174 VanDerWaalsContact C-N 3.29Å; V172-Y174 PolarHBondContact O-N 2.93Å
173	K	41.5	Very low	36.9	Very low	68 Å²	68	97.6 Å²	97.6	30%	0.296	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-31.6	172.1	-166	177.2	-177.1	171.6	0	112.6	E113 I169 I170	E113-K173 IonicContact OE1-NZ 3.94Å; I169-K173 PolarHBondContact O-N 3.33Å; I170-K173 PolarHBondContact O-N 3.48Å
174	Y	36.3	Very low	36.6	Very low	129 Å²	129	101.3 Å²	101.3	51%	0.506	51%	0.508	S	S	.	.	H	α-helix	trans	-101.2	-9.7	-175.1	-77.3	-88.1	0	0	0	114.9	I170 V172 D176 Y177 V178	I170-Y174 HydrophobicContact CG2-CD2 3.53Å; I170-Y174 HydrophobicContact CG2-CE2 3.69Å; I170-Y174 WeakPolarHBondContact O-CD2 3.32Å; I170-Y174 PolarHBondContact O-N 2.87Å; V172-Y174 VanDerWaalsContact C-N 3.29Å; V172-Y174 PolarHBondContact O-N 2.93Å; Y174-D176 VanDerWaalsContact C-N 3.27Å; Y174-D176 PolarHBondContact O-N 2.71Å; Y174-Y177 PolarHBondContact O-N 2.85Å; Y174-V178 WeakPolarHBondContact O-CG2 3.35Å; Y174-V178 PolarHBondContact O-N 3.33Å
175	R	37.4	Very low	36.4	Very low	172 Å²	172	95.6 Å²	95.6	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-34.8	-179.8	-140.8	175.1	178.1	167.3	-2	112.5	A171 T179	A171-R175 WeakPolarHBondContact O-CA 3.21Å; A171-R175 VanDerWaalsContact O-CB 3.26Å; A171-R175 WeakPolarHBondContact O-CB 3.47Å; A171-R175 PolarHBondContact O-N 3.25Å; R175-T179 PolarHBondContact O-OG1 3.42Å
176	D	36.3	Very low	36.2	Very low	55 Å²	55	96.9 Å²	96.9	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-93.1	-23.7	179.6	-64.2	-44.7	0	0	0	113.3	L135 Y174 V178 T179 I180	L135-D176 HydrophobicContact CD1-CB 4.48Å; L135-D176 WeakPolarHBondContact CD1-OD2 3.31Å; L135-D176 HydrophobicContact CD2-CB 4.01Å; Y174-D176 VanDerWaalsContact C-N 3.27Å; Y174-D176 PolarHBondContact O-N 2.71Å; D176-V178 PolarHBondContact O-N 3.22Å; D176-T179 PolarHBondContact O-N 2.88Å; D176-I180 WeakPolarHBondContact O-CD1 3.46Å; D176-I180 VanDerWaalsContact O-CG1 3.26Å; D176-I180 WeakPolarHBondContact O-CG1 3.16Å; D176-I180 PolarHBondContact O-N 3.03Å; D176-I180 VanDerWaalsContact O-N 3.09Å
177	Y	32.8	Very low	35.6	Very low	169 Å²	169	97.5 Å²	97.5	66%	0.663	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-30.8	170.8	-117.9	-88.7	0	0	0	112.4	Y174	Y174-Y177 PolarHBondContact O-N 2.85Å
178	V	31.3	Very low	35.1	Very low	109 Å²	109	95.7 Å²	95.7	66%	0.661	50%	0.498	S	S	*	.	H	α-helix	trans	-80.3	-27.4	175.2	178.8	0	0	0	0	111.9	Y174 D176	Y174-V178 WeakPolarHBondContact O-CG2 3.35Å; Y174-V178 PolarHBondContact O-N 3.33Å; D176-V178 PolarHBondContact O-N 3.22Å
179	T	28.3	Very low	34.7	Very low	87 Å²	87	98.7 Å²	98.7	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-81.4	-27.3	-179.3	-54.2	0	0	0	0	112.6	R175 D176 C181 T182	R175-T179 PolarHBondContact O-OG1 3.42Å; D176-T179 PolarHBondContact O-N 2.88Å; T179-C181 PolarHBondContact O-N 3.13Å; T179-T182 PolarHBondContact O-OG1 2.93Å
180	I	25.6	Very low	34.2	Very low	135 Å²	135	104.8 Å²	104.8	69%	0.692	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.4	177.6	-63.5	164.6	0	0	0	112.9	D176	D176-I180 WeakPolarHBondContact O-CD1 3.46Å; D176-I180 VanDerWaalsContact O-CG1 3.26Å; D176-I180 WeakPolarHBondContact O-CG1 3.16Å; D176-I180 PolarHBondContact O-N 3.03Å; D176-I180 VanDerWaalsContact O-N 3.09Å
181	C	25	Very low	33.6	Very low	108 Å²	108	107.3 Å²	107.3	73%	0.73	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	23.3	177.5	-65.3	0	0	0	0	114.7	T179	T179-C181 PolarHBondContact O-N 3.13Å
182	T	29.7	Very low	33.1	Very low	187 Å²	187	112.6 Å²	112.6	100%	1.147	57%	0.572	S	S	*	*			trans	-96.7	0	169.1	46.8	0	0	0	0	113.1	T179	T179-T182 PolarHBondContact O-OG1 2.93Å

Retrieved 182 of 182 residues in 61.1 ms (Link to these results)

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