A0A087Y3N9_POEFO Loading...

Relaxin-3

AlphaFold DB , UniProt , Accession A0A087Y3N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 149 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	66.6	Low	75.8	Confident	209 Å²	209	115.4 Å²	115.4	100%	1.03	62%	0.617	S	S	*	*				0	-39.1	0	-57	-179.1	-167	0	0	112.4	K3 A4 V5	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.4Å; M1-A4 PolarHBondContact O-N 2.92Å; M1-V5 PolarHBondContact O-N 3.32Å
2	W	74.9	Confident	75.1	Confident	206 Å²	206	115.8 Å²	115.8	78%	0.78	62%	0.618	S	S	*	*	H	α-helix	trans	-58	-30.4	179	69.9	-17.6	0	0	0	116.6	A4 V5 V6	W2-A4 VanDerWaalsContact C-N 3.32Å; W2-A4 PolarHBondContact O-N 3.38Å; W2-V5 PolarHBondContact O-N 2.94Å; W2-V6 VanDerWaalsContact O-CG2 3.32Å; W2-V6 WeakPolarHBondContact O-CG2 3.31Å; W2-V6 PolarHBondContact O-N 2.9Å
3	K	76.1	Confident	74.4	Confident	161 Å²	161	115.2 Å²	115.2	70%	0.7	62%	0.621	S	S	*	*	H	α-helix	trans	-66.1	-37.2	-179.9	-49	-174.4	83.4	163.9	0	111	M1 V6 M7	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.4Å; K3-V6 PolarHBondContact O-N 3.49Å; K3-M7 VanDerWaalsContact O-CG 3.26Å; K3-M7 WeakPolarHBondContact O-CG 3.29Å; K3-M7 PolarHBondContact O-N 3.2Å
4	A	79.9	Confident	73.5	Confident	70 Å²	70	112 Å²	112	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-69	-37.9	176.1	0	0	0	0	0	111.4	M1 W2 M7 A8	M1-A4 PolarHBondContact O-N 2.92Å; W2-A4 VanDerWaalsContact C-N 3.32Å; W2-A4 PolarHBondContact O-N 3.38Å; A4-M7 PolarHBondContact O-N 2.96Å; A4-A8 WeakPolarHBondContact O-CB 3.5Å; A4-A8 PolarHBondContact O-N 3.47Å
5	V	80.1	Confident	72.4	Confident	91 Å²	91	107.5 Å²	107.5	55%	0.552	61%	0.607	S	S	*	*	H	α-helix	trans	-65.5	-43.6	175.4	-179.9	0	0	0	0	111	M1 W2 M7 A8 V9	M1-V5 PolarHBondContact O-N 3.32Å; W2-V5 PolarHBondContact O-N 2.94Å; V5-M7 PolarHBondContact O-N 3.49Å; V5-A8 PolarHBondContact O-N 3.44Å; V5-V9 HydrophobicContact CG1-CG2 4.46Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.23Å
6	V	80.4	Confident	71.2	Confident	86 Å²	86	107.6 Å²	107.6	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-62.9	-42.8	176.8	172.3	0	0	0	0	111.2	W2 K3 V9 C10	W2-V6 VanDerWaalsContact O-CG2 3.32Å; W2-V6 WeakPolarHBondContact O-CG2 3.31Å; W2-V6 PolarHBondContact O-N 2.9Å; K3-V6 PolarHBondContact O-N 3.49Å; V6-V9 PolarHBondContact O-N 3.47Å; V6-C10 WeakPolarHBondContact O-CB 3.32Å; V6-C10 PolarHBondContact O-N 3.07Å
7	M	77.1	Confident	69.9	Low	119 Å²	119	105.2 Å²	105.2	59%	0.586	62%	0.615	S	S	*	*	H	α-helix	trans	-66.2	-40	176.9	-68.2	-58.4	-69.1	0	0	112.2	K3 A4 V5 C10 L11	K3-M7 VanDerWaalsContact O-CG 3.26Å; K3-M7 WeakPolarHBondContact O-CG 3.29Å; K3-M7 PolarHBondContact O-N 3.2Å; A4-M7 PolarHBondContact O-N 2.96Å; V5-M7 PolarHBondContact O-N 3.49Å; M7-C10 PolarHBondContact O-N 3.49Å; M7-L11 WeakPolarHBondContact O-CB 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.27Å; M7-L11 WeakPolarHBondContact O-CG 3.29Å; M7-L11 PolarHBondContact O-N 3.5Å
8	A	77.1	Confident	68.6	Low	49 Å²	49	103.3 Å²	103.3	41%	0.405	61%	0.614	S	S	.	*	H	α-helix	trans	-64.5	-41.7	176	0	0	0	0	0	111.9	A4 V5 L11 L12	A4-A8 WeakPolarHBondContact O-CB 3.5Å; A4-A8 PolarHBondContact O-N 3.47Å; V5-A8 PolarHBondContact O-N 3.44Å; A8-L11 PolarHBondContact O-N 3.42Å; A8-L12 WeakPolarHBondContact O-CB 3.31Å; A8-L12 VanDerWaalsContact O-CG 3.29Å; A8-L12 WeakPolarHBondContact O-CG 3.43Å; A8-L12 PolarHBondContact O-N 3.23Å
9	V	77.1	Confident	67.2	Low	80 Å²	80	105.2 Å²	105.2	49%	0.485	62%	0.616	S	S	.	*	H	α-helix	trans	-67.5	-41.8	176	174.9	0	0	0	0	111.2	V5 V6 L11 L12 V13	V5-V9 HydrophobicContact CG1-CG2 4.46Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.23Å; V6-V9 PolarHBondContact O-N 3.47Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; V9-L12 PolarHBondContact O-N 3.49Å; V9-V13 HydrophobicContact CG1-CG2 4.29Å; V9-V13 WeakPolarHBondContact O-CB 3.27Å; V9-V13 VanDerWaalsContact O-CG2 3.29Å; V9-V13 WeakPolarHBondContact O-CG2 3.45Å; V9-V13 PolarHBondContact O-N 3.33Å
10	C	73.9	Confident	65.7	Low	76 Å²	76	105.4 Å²	105.4	51%	0.514	62%	0.621	S	S	.	*	H	α-helix	trans	-59.2	-41.8	173.7	-86.1	0	0	0	0	112.4	V6 M7 V13 A14	V6-C10 WeakPolarHBondContact O-CB 3.32Å; V6-C10 PolarHBondContact O-N 3.07Å; M7-C10 PolarHBondContact O-N 3.49Å; C10-V13 PolarHBondContact O-N 3.28Å; C10-A14 VanDerWaalsContact O-CB 3.31Å; C10-A14 WeakPolarHBondContact O-CB 3.5Å; C10-A14 PolarHBondContact O-N 3.42Å
11	L	71	Confident	64.4	Low	122 Å²	122	107.6 Å²	107.6	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-37	177.9	-73.1	170.3	0	0	0	112.4	M7 A8 V9 A14 G15	M7-L11 WeakPolarHBondContact O-CB 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.27Å; M7-L11 WeakPolarHBondContact O-CG 3.29Å; M7-L11 PolarHBondContact O-N 3.5Å; A8-L11 PolarHBondContact O-N 3.42Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; L11-A14 PolarHBondContact O-N 2.96Å; L11-G15 PolarHBondContact O-N 2.89Å
12	L	67.3	Low	63.2	Low	120 Å²	120	106.1 Å²	106.1	63%	0.628	62%	0.617	S	S	*	*	H	α-helix	trans	-68.4	-41.4	175.1	-72.2	169.9	0	0	0	111.6	A8 V9 A14 G15 V16	A8-L12 WeakPolarHBondContact O-CB 3.31Å; A8-L12 VanDerWaalsContact O-CG 3.29Å; A8-L12 WeakPolarHBondContact O-CG 3.43Å; A8-L12 PolarHBondContact O-N 3.23Å; V9-L12 PolarHBondContact O-N 3.49Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.42Å; L12-G15 PolarHBondContact O-N 2.9Å; L12-V16 WeakPolarHBondContact O-CG2 3.26Å; L12-V16 PolarHBondContact O-N 3.17Å
13	V	65.5	Low	61.4	Low	109 Å²	109	102 Å²	102	66%	0.661	61%	0.61	S	S	*	*	H	α-helix	trans	-65.7	-37.9	175.8	173.3	0	0	0	0	111.4	V9 C10	V9-V13 HydrophobicContact CG1-CG2 4.29Å; V9-V13 WeakPolarHBondContact O-CB 3.27Å; V9-V13 VanDerWaalsContact O-CG2 3.29Å; V9-V13 WeakPolarHBondContact O-CG2 3.45Å; V9-V13 PolarHBondContact O-N 3.33Å; C10-V13 PolarHBondContact O-N 3.28Å
14	A	62.2	Low	60	Low	70 Å²	70	99 Å²	99	58%	0.579	61%	0.607	S	S	*	*	H	α-helix	trans	-72.6	-34.3	174.8	0	0	0	0	0	112.9	C10 L11 L12	C10-A14 VanDerWaalsContact O-CB 3.31Å; C10-A14 WeakPolarHBondContact O-CB 3.5Å; C10-A14 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 2.96Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.42Å
15	G	56.3	Low	58.5	Low	44 Å²	44	99.7 Å²	99.7	45%	0.454	60%	0.604	S	S	.	*	H	α-helix	trans	-77	-29.3	-177.3	0	0	0	0	0	114.5	L11 L12 G17 A18	L11-G15 PolarHBondContact O-N 2.89Å; L12-G15 PolarHBondContact O-N 2.9Å; G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 3.28Å; G15-A18 PolarHBondContact O-N 3.03Å
16	V	54.5	Low	56.9	Low	109 Å²	109	102.6 Å²	102.6	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-75.8	-18.1	176.9	-178.8	0	0	0	0	112	L12	L12-V16 WeakPolarHBondContact O-CG2 3.26Å; L12-V16 PolarHBondContact O-N 3.17Å
17	G	47.7	Very low	55.9	Low	67 Å²	67	100.1 Å²	100.1	69%	0.691	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-17.2	170.6	0	0	0	0	0	114.1	G15 Q19	G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 3.28Å; G17-Q19 PolarHBondContact O-N 2.82Å
18	A	46.8	Very low	55.3	Low	71 Å²	71	96 Å²	96	59%	0.587	58%	0.58	S	S	*	*			trans	-89.1	59.8	170.4	0	0	0	0	0	109.5	G15	G15-A18 PolarHBondContact O-N 3.03Å
19	Q	42.2	Very low	55.3	Low	140 Å²	140	100.4 Å²	100.4	65%	0.654	59%	0.59	S	S	*	*			trans	-53.8	138.5	145.3	-66.3	-68.8	-29	0	0	105.6	G17 M21	G17-Q19 PolarHBondContact O-N 2.82Å; Q19-M21 PolarHBondContact O-N 2.71Å
20	P	37.2	Very low	55.2	Low	109 Å²	109	97.6 Å²	97.6	71%	0.708	57%	0.572	S	S	*	*			trans	-57.8	98	155.5	14	-5.6	0	0	0	103.9	E22	P20-E22 PolarHBondContact O-N 2.76Å
21	M	37.6	Very low	55.4	Low	152 Å²	152	96.7 Å²	96.7	75%	0.749	57%	0.566	S	S	*	*			trans	-57.8	93.4	148.1	-83.9	-168.1	91.2	0	0	102.2	Q19 D23	Q19-M21 PolarHBondContact O-N 2.71Å; M21-D23 PolarHBondContact O-N 3.01Å
22	E	43.3	Very low	55.8	Low	177 Å²	177	93 Å²	93	83%	0.827	56%	0.558	S	S	*	*			trans	-38.1	88.5	132.4	42.3	-176.9	120.8	0	0	105.7	P20 P24	P20-E22 PolarHBondContact O-N 2.76Å; E22-P24 WeakPolarHBondContact O-CD 3.45Å
23	D	36.1	Very low	56.2	Low	120 Å²	120	96.7 Å²	96.7	64%	0.642	56%	0.563	S	S	*	*			trans	-46.9	112.7	172.7	-157.9	-52.3	0	0	0	103.9	M21 T25	M21-D23 PolarHBondContact O-N 3.01Å; D23-T25 WeakPolarHBondContact O-CA 3.29Å; D23-T25 PolarHBondContact O-N 2.8Å; D23-T25 PolarHBondContact O-OG1 3.47Å
24	P	46.6	Very low	56.8	Low	98 Å²	98	95.8 Å²	95.8	64%	0.636	55%	0.552	S	S	*	*			trans	-66.8	92.2	177.6	22.3	-22.5	0	0	0	104.3	E22 Y26	E22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-Y26 PolarHBondContact O-N 3.42Å
25	T	47.7	Very low	57.6	Low	84 Å²	84	93 Å²	93	52%	0.515	53%	0.526	S	S	.	.			trans	-45.5	104.4	-166.5	-60.3	0	0	0	0	107.1	D23 G27	D23-T25 WeakPolarHBondContact O-CA 3.29Å; D23-T25 PolarHBondContact O-N 2.8Å; D23-T25 PolarHBondContact O-OG1 3.47Å; T25-G27 PolarHBondContact O-N 2.81Å
26	Y	47.3	Very low	58.8	Low	152 Å²	152	95.5 Å²	95.5	60%	0.596	53%	0.529	S	S	*	.			trans	-21.5	97.9	-174.9	-169.3	-90.5	0	0	0	112.9	P24 V28 F62	P24-Y26 PolarHBondContact O-N 3.42Å; Y26-V28 HydrophobicContact CD1-CG1 4.13Å; Y26-V28 HydrophobicContact CE1-CG1 3.95Å; Y26-V28 PolarHBondContact O-N 3.09Å; Y26-F62 AromaticContact CD1-CD1 3.7Å; Y26-F62 HydrophobicContact CD1-CD1 3.7Å; Y26-F62 HydrophobicContact CD1-CE1 4.21Å; Y26-F62 HydrophobicContact CE1-CD1 4.08Å
27	G	58.8	Low	60.1	Low	35 Å²	35	97.1 Å²	97.1	36%	0.361	52%	0.523	S	S	.	.			trans	-77.3	93.5	-175.8	0	0	0	0	0	110.2	T25 K29	T25-G27 PolarHBondContact O-N 2.81Å; G27-K29 PolarHBondContact O-N 3.24Å
28	V	65.4	Low	61.6	Low	31 Å²	31	94.9 Å²	94.9	19%	0.188	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-62.5	132.6	169.1	-86.1	0	0	0	0	109.7	Y26 L30 F62 C140	Y26-V28 HydrophobicContact CD1-CG1 4.13Å; Y26-V28 HydrophobicContact CE1-CG1 3.95Å; Y26-V28 PolarHBondContact O-N 3.09Å; V28-L30 HydrophobicContact CB-CG 4.36Å; V28-L30 HydrophobicContact CG2-CD1 3.89Å; V28-L30 HydrophobicContact CG2-CD2 4.08Å; V28-L30 HydrophobicContact CG2-CG 3.8Å; V28-L30 PolarHBondContact O-N 3.02Å; V28-F62 HydrophobicContact CB-CD1 4.27Å; V28-F62 HydrophobicContact CB-CE1 3.64Å; V28-F62 HydrophobicContact CB-CZ 4.11Å; V28-F62 HydrophobicContact CG1-CD1 3.27Å; V28-F62 HydrophobicContact CG1-CE1 3.15Å; V28-F62 HydrophobicContact CG1-CG 4.16Å; V28-F62 HydrophobicContact CG1-CZ 3.91Å; V28-F62 HydrophobicContact CG2-CD1 4.16Å; V28-F62 HydrophobicContact CG2-CE1 3.12Å; V28-F62 HydrophobicContact CG2-CE2 4.26Å; V28-F62 HydrophobicContact CG2-CZ 3.17Å; V28-C140 PolarHBondContact O-N 3.12Å
29	K	76.3	Confident	63.2	Low	142 Å²	142	93.2 Å²	93.2	62%	0.617	48%	0.48	S	S	*	.			trans	-75.2	95.5	174.8	-72.1	179.2	176.2	166	0	109	G27 K137	G27-K29 PolarHBondContact O-N 3.24Å; K29-K137 WeakPolarHBondContact CE-O 3Å
30	L	75	Confident	65.1	Low	22 Å²	22	88.8 Å²	88.8	12%	0.115	46%	0.46	C	S	.	.			trans	-93.3	103.5	178.4	-63.8	163	0	0	0	108	V28 E34 F35 A38 I145	V28-L30 HydrophobicContact CB-CG 4.36Å; V28-L30 HydrophobicContact CG2-CD1 3.89Å; V28-L30 HydrophobicContact CG2-CD2 4.08Å; V28-L30 HydrophobicContact CG2-CG 3.8Å; V28-L30 PolarHBondContact O-N 3.02Å; L30-E34 HydrophobicContact CB-CB 4.49Å; L30-E34 HydrophobicContact CD2-CB 3.76Å; L30-F35 HydrophobicContact CB-CB 4.06Å; L30-A38 HydrophobicContact CD1-CB 3.53Å; L30-A38 HydrophobicContact CD2-CB 4.16Å; L30-A38 HydrophobicContact CG-CB 4.42Å; L30-I145 HydrophobicContact CD1-CD1 3.4Å; L30-I145 VanDerWaalsContact CD1-CD1 3.4Å
31	C	78.6	Confident	67	Low	56 Å²	56	89.9 Å²	89.9	38%	0.378	46%	0.455	S	S	.	.			trans	-106	129.1	179.4	-61.2	0	0	0	0	110.2	R33 E34 C136	C31-R33 PolarHBondContact O-N 3.37Å; C31-E34 PolarHBondContact O-N 2.99Å; C31-C136 HydrophobicContact CB-CB 3.9Å; C31-C136 WeakPolarHBondContact CB-SG 3.44Å; C31-C136 WeakPolarHBondContact SG-CA 3.21Å; C31-C136 WeakPolarHBondContact SG-CB 3.29Å; C31-C136 CovalentContact SG-SG 2.03Å; C31-C136 PolarHBondContact SG-SG 2.97Å
32	G	80	Confident	68.9	Low	45 Å²	45	84.6 Å²	84.6	46%	0.464	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-100.2	172.2	0	0	0	0	0	114	E34 F35 I36	G32-E34 PolarHBondContact O-N 2.83Å; G32-F35 PolarHBondContact O-N 3.21Å; G32-I36 WeakPolarHBondContact O-CG1 3.1Å; G32-I36 PolarHBondContact O-N 3.36Å; G32-I36 VanDerWaalsContact O-N 3.15Å
33	R	74.9	Confident	70.6	Confident	197 Å²	197	78.4 Å²	78.4	74%	0.743	41%	0.406	S	S	*	.	H	α-helix	trans	-66.8	-35.7	-175.4	-56.6	-174.9	-164.8	-132.7	3.4	112.5	C31 R37	C31-R33 PolarHBondContact O-N 3.37Å; R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.3Å; R33-R37 VanDerWaalsContact O-N 3.07Å
34	E	78.6	Confident	72.7	Confident	90 Å²	90	73.5 Å²	73.5	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-75.1	-33.3	179.3	-52	-43.1	135.2	0	0	111.7	L30 C31 G32 R37 A38	L30-E34 HydrophobicContact CB-CB 4.49Å; L30-E34 HydrophobicContact CD2-CB 3.76Å; C31-E34 PolarHBondContact O-N 2.99Å; G32-E34 PolarHBondContact O-N 2.83Å; E34-R37 PolarHBondContact O-N 3.43Å; E34-R37 IonicContact OE1-CZ 3.95Å; E34-R37 IonicContact OE1-NH1 2.89Å; E34-R37 PolarHBondContact OE1-NH1 3.15Å; E34-R37 IonicContact OE2-CZ 3.99Å; E34-R37 IonicContact OE2-NH1 3.79Å; E34-R37 PolarHBondContact OE2-NH1 3.4Å; E34-A38 WeakPolarHBondContact O-CB 3.05Å; E34-A38 PolarHBondContact O-N 2.9Å
35	F	79.7	Confident	73.9	Confident	11 Å²	11	71.3 Å²	71.3	5%	0.048	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-46.5	172.2	176.5	-99.4	0	0	0	111.3	L30 G32 R37 A38 V39 S132 C135 L148	L30-F35 HydrophobicContact CB-CB 4.06Å; G32-F35 PolarHBondContact O-N 3.21Å; F35-R37 PolarHBondContact O-N 2.03Å; F35-A38 PolarHBondContact O-N 2.75Å; F35-V39 HydrophobicContact CD1-CG2 4.24Å; F35-V39 HydrophobicContact CD2-CG2 4.44Å; F35-V39 HydrophobicContact CE1-CG2 3.88Å; F35-V39 HydrophobicContact CE2-CG2 4.1Å; F35-V39 HydrophobicContact CZ-CG2 3.82Å; F35-V39 VanDerWaalsContact O-CG2 3.29Å; F35-V39 WeakPolarHBondContact O-CG2 3.39Å; F35-V39 PolarHBondContact O-N 2.98Å; F35-S132 VanDerWaalsContact CD1-CB 3.47Å; F35-C135 HydrophobicContact CD2-CB 4.25Å; F35-C135 HydrophobicContact CE2-CB 4.4Å; F35-L148 HydrophobicContact CE2-CD1 4.01Å; F35-L148 HydrophobicContact CZ-CD1 3.65Å
36	I	80.7	Confident	74.6	Confident	98 Å²	98	70.8 Å²	70.8	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-46.1	178.7	-64.3	164.2	0	0	0	110.1	G32 A38 V39 I40	G32-I36 WeakPolarHBondContact O-CG1 3.1Å; G32-I36 PolarHBondContact O-N 3.36Å; G32-I36 VanDerWaalsContact O-N 3.15Å; I36-A38 VanDerWaalsContact C-N 3.32Å; I36-A38 PolarHBondContact O-N 3.01Å; I36-V39 PolarHBondContact O-N 3.49Å; I36-I40 HydrophobicContact CG2-CD1 3.53Å; I36-I40 HydrophobicContact CG2-CG1 4.23Å; I36-I40 WeakPolarHBondContact O-CB 3.45Å; I36-I40 WeakPolarHBondContact O-CD1 3.31Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.37Å
37	R	81.1	Confident	75.1	Confident	143 Å²	143	73.4 Å²	73.4	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-60.1	-39.2	176.3	-72.7	-171.1	-171.2	107.4	-2.8	113	R33 E34 F35 I40 F41	R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.3Å; R33-R37 VanDerWaalsContact O-N 3.07Å; E34-R37 PolarHBondContact O-N 3.43Å; E34-R37 IonicContact OE1-CZ 3.95Å; E34-R37 IonicContact OE1-NH1 2.89Å; E34-R37 PolarHBondContact OE1-NH1 3.15Å; E34-R37 IonicContact OE2-CZ 3.99Å; E34-R37 IonicContact OE2-NH1 3.79Å; E34-R37 PolarHBondContact OE2-NH1 3.4Å; F35-R37 PolarHBondContact O-N 2.03Å; R37-I40 WeakPolarHBondContact O-CB 3.28Å; R37-I40 PolarHBondContact O-N 2.74Å; R37-F41 VanDerWaalsContact O-CB 3.32Å; R37-F41 WeakPolarHBondContact O-CB 3.44Å; R37-F41 PolarHBondContact O-N 3.06Å
38	A	80.4	Confident	75.2	Confident	20 Å²	20	77.9 Å²	77.9	17%	0.165	39%	0.394	C	S	.	.	H	α-helix	trans	-68.2	-43.8	177.6	0	0	0	0	0	112.3	L30 E34 F35 I36 I40 F41 T42 I145	L30-A38 HydrophobicContact CD1-CB 3.53Å; L30-A38 HydrophobicContact CD2-CB 4.16Å; L30-A38 HydrophobicContact CG-CB 4.42Å; E34-A38 WeakPolarHBondContact O-CB 3.05Å; E34-A38 PolarHBondContact O-N 2.9Å; F35-A38 PolarHBondContact O-N 2.75Å; I36-A38 VanDerWaalsContact C-N 3.32Å; I36-A38 PolarHBondContact O-N 3.01Å; A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 2.74Å; A38-F41 PolarHBondContact O-N 3.42Å; A38-T42 WeakPolarHBondContact O-CB 3.41Å; A38-T42 VanDerWaalsContact O-CG2 3.25Å; A38-T42 WeakPolarHBondContact O-CG2 3.49Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 3.27Å; A38-I145 HydrophobicContact CB-CD1 4.2Å
39	V	79.8	Confident	74.8	Confident	35 Å²	35	83 Å²	83	21%	0.212	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-42.6	174.5	172.7	0	0	0	0	110.6	F35 I36 F41 T42 C43 I145 L148	F35-V39 HydrophobicContact CD1-CG2 4.24Å; F35-V39 HydrophobicContact CD2-CG2 4.44Å; F35-V39 HydrophobicContact CE1-CG2 3.88Å; F35-V39 HydrophobicContact CE2-CG2 4.1Å; F35-V39 HydrophobicContact CZ-CG2 3.82Å; F35-V39 VanDerWaalsContact O-CG2 3.29Å; F35-V39 WeakPolarHBondContact O-CG2 3.39Å; F35-V39 PolarHBondContact O-N 2.98Å; I36-V39 PolarHBondContact O-N 3.49Å; V39-F41 PolarHBondContact O-N 3.11Å; V39-T42 VanDerWaalsContact CA-OG1 3.28Å; V39-T42 WeakPolarHBondContact CA-OG1 3.06Å; V39-T42 PolarHBondContact O-N 3.49Å; V39-T42 PolarHBondContact O-OG1 3.12Å; V39-T42 VanDerWaalsContact O-OG1 3.09Å; V39-C43 WeakPolarHBondContact O-CA 3.47Å; V39-C43 VanDerWaalsContact O-CB 3.23Å; V39-C43 WeakPolarHBondContact O-CB 3.11Å; V39-C43 PolarHBondContact O-N 3.47Å; V39-C43 PolarHBondContact O-SG 2.86Å; V39-I145 HydrophobicContact CB-CG2 4.35Å; V39-I145 HydrophobicContact CG2-CG2 3.63Å; V39-L148 HydrophobicContact CG2-CD1 4.23Å
40	I	81.7	Confident	73.8	Confident	47 Å²	47	84.2 Å²	84.2	24%	0.241	42%	0.415	C	S	.	.	H	α-helix	trans	-59.7	-44.7	174.3	-78.1	174.9	0	0	0	111.8	I36 R37 A38 T42 G44 W48	I36-I40 HydrophobicContact CG2-CD1 3.53Å; I36-I40 HydrophobicContact CG2-CG1 4.23Å; I36-I40 WeakPolarHBondContact O-CB 3.45Å; I36-I40 WeakPolarHBondContact O-CD1 3.31Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.37Å; R37-I40 WeakPolarHBondContact O-CB 3.28Å; R37-I40 PolarHBondContact O-N 2.74Å; A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 2.74Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-G44 WeakPolarHBondContact O-CA 3.24Å; I40-G44 PolarHBondContact O-N 2.88Å; I40-W48 HydrophobicContact CB-CE3 4.13Å; I40-W48 HydrophobicContact CB-CH2 3.57Å; I40-W48 HydrophobicContact CB-CZ2 4.07Å; I40-W48 HydrophobicContact CB-CZ3 3.56Å; I40-W48 HydrophobicContact CD1-CH2 3.23Å; I40-W48 HydrophobicContact CD1-CZ2 3.72Å; I40-W48 HydrophobicContact CD1-CZ3 4.05Å; I40-W48 HydrophobicContact CG1-CE3 4.4Å; I40-W48 HydrophobicContact CG1-CH2 3.12Å; I40-W48 HydrophobicContact CG1-CZ2 3.94Å; I40-W48 HydrophobicContact CG1-CZ3 3.38Å; I40-W48 HydrophobicContact CG2-CD2 3.53Å; I40-W48 HydrophobicContact CG2-CE3 3.47Å; I40-W48 VanDerWaalsContact CG2-CE3 3.47Å; I40-W48 HydrophobicContact CG2-CH2 3.18Å; I40-W48 HydrophobicContact CG2-CZ2 3.19Å; I40-W48 HydrophobicContact CG2-CZ3 3.29Å
41	F	76.9	Confident	72.7	Confident	133 Å²	133	87.8 Å²	87.8	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-72	-29.8	-179.4	-176.4	-100.1	0	0	0	112.5	R37 A38 V39 L52	R37-F41 VanDerWaalsContact O-CB 3.32Å; R37-F41 WeakPolarHBondContact O-CB 3.44Å; R37-F41 PolarHBondContact O-N 3.06Å; A38-F41 PolarHBondContact O-N 3.42Å; V39-F41 PolarHBondContact O-N 3.11Å; F41-L52 HydrophobicContact CD2-CD1 3.94Å; F41-L52 HydrophobicContact CE2-CD1 4.27Å
42	T	78.6	Confident	71.5	Confident	41 Å²	41	90.3 Å²	90.3	25%	0.252	45%	0.451	S	S	.	.	H	α-helix	trans	-87.8	-46.8	-177.4	50.3	0	0	0	0	112.9	A38 V39 I40 K142 I145	A38-T42 WeakPolarHBondContact O-CB 3.41Å; A38-T42 VanDerWaalsContact O-CG2 3.25Å; A38-T42 WeakPolarHBondContact O-CG2 3.49Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 3.27Å; V39-T42 VanDerWaalsContact CA-OG1 3.28Å; V39-T42 WeakPolarHBondContact CA-OG1 3.06Å; V39-T42 PolarHBondContact O-N 3.49Å; V39-T42 PolarHBondContact O-OG1 3.12Å; V39-T42 VanDerWaalsContact O-OG1 3.09Å; I40-T42 VanDerWaalsContact C-N 3.33Å; T42-K142 HydrophobicContact CG2-CG 4.01Å; T42-I145 HydrophobicContact CG2-CG2 4.33Å; T42-I145 WeakPolarHBondContact OG1-CG2 3.19Å
43	C	78.8	Confident	69.9	Low	46 Å²	46	97.8 Å²	97.8	31%	0.311	47%	0.465	S	S	.	.	H	α-helix	trans	-89.5	-18.5	177.7	-51.8	0	0	0	0	113.3	V39 G45 C149	V39-C43 WeakPolarHBondContact O-CA 3.47Å; V39-C43 VanDerWaalsContact O-CB 3.23Å; V39-C43 WeakPolarHBondContact O-CB 3.11Å; V39-C43 PolarHBondContact O-N 3.47Å; V39-C43 PolarHBondContact O-SG 2.86Å; C43-G45 PolarHBondContact O-N 2.64Å; C43-G45 VanDerWaalsContact O-N 3.11Å; C43-C149 WeakPolarHBondContact CA-SG 3.29Å; C43-C149 HydrophobicContact CB-CB 3.61Å; C43-C149 WeakPolarHBondContact CB-SG 3.37Å; C43-C149 WeakPolarHBondContact SG-CA 2.97Å; C43-C149 WeakPolarHBondContact SG-CB 3.47Å; C43-C149 CovalentContact SG-SG 2.01Å; C43-C149 PolarHBondContact SG-SG 3.06Å
44	G	79.9	Confident	68	Low	17 Å²	17	93.6 Å²	93.6	18%	0.175	47%	0.465	C	S	.	.			trans	-66.5	110.7	-176.8	0	0	0	0	0	111.9	I40	I40-G44 WeakPolarHBondContact O-CA 3.24Å; I40-G44 PolarHBondContact O-N 2.88Å
45	G	72.8	Confident	66.2	Low	52 Å²	52	95.3 Å²	95.3	54%	0.536	48%	0.484	S	S	.	.			trans	-59.7	-175.9	-177.2	0	0	0	0	0	115.4	C43 R47 W48 K49	C43-G45 PolarHBondContact O-N 2.64Å; C43-G45 VanDerWaalsContact O-N 3.11Å; G45-R47 PolarHBondContact O-N 2.02Å; G45-W48 PolarHBondContact O-N 3.38Å; G45-K49 PolarHBondContact O-N 3.03Å
46	S	60.9	Low	64.5	Low	74 Å²	74	102.6 Å²	102.6	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-54.5	-19.4	-170.1	71.9	0	0	0	0	116.1	R50	S46-R50 WeakPolarHBondContact O-CB 3.47Å; S46-R50 VanDerWaalsContact O-CG 3.29Å; S46-R50 WeakPolarHBondContact O-CG 3.49Å; S46-R50 PolarHBondContact O-N 3.24Å; S46-R50 PolarHBondContact O-NE 3.06Å; S46-R50 PolarHBondContact OG-NH2 3.02Å; S46-R50 VanDerWaalsContact OG-NH2 3.13Å
47	R	58.3	Low	62.6	Low	207 Å²	207	103 Å²	103	78%	0.781	53%	0.531	S	S	*	.	H	α-helix	trans	-75.4	-42.4	176.9	-67	-176	-178.9	-89.7	1.3	111.9	G45 R50	G45-R47 PolarHBondContact O-N 2.02Å; R47-R50 PolarHBondContact O-N 3.48Å
48	W	60.7	Low	60.8	Low	128 Å²	128	101.7 Å²	101.7	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-71.7	-40.8	176.3	-135.1	-19.6	0	0	0	111.2	I40 G45 R50 S51	I40-W48 HydrophobicContact CB-CE3 4.13Å; I40-W48 HydrophobicContact CB-CH2 3.57Å; I40-W48 HydrophobicContact CB-CZ2 4.07Å; I40-W48 HydrophobicContact CB-CZ3 3.56Å; I40-W48 HydrophobicContact CD1-CH2 3.23Å; I40-W48 HydrophobicContact CD1-CZ2 3.72Å; I40-W48 HydrophobicContact CD1-CZ3 4.05Å; I40-W48 HydrophobicContact CG1-CE3 4.4Å; I40-W48 HydrophobicContact CG1-CH2 3.12Å; I40-W48 HydrophobicContact CG1-CZ2 3.94Å; I40-W48 HydrophobicContact CG1-CZ3 3.38Å; I40-W48 HydrophobicContact CG2-CD2 3.53Å; I40-W48 HydrophobicContact CG2-CE3 3.47Å; I40-W48 VanDerWaalsContact CG2-CE3 3.47Å; I40-W48 HydrophobicContact CG2-CH2 3.18Å; I40-W48 HydrophobicContact CG2-CZ2 3.19Å; I40-W48 HydrophobicContact CG2-CZ3 3.29Å; G45-W48 PolarHBondContact O-N 3.38Å; W48-R50 PolarHBondContact O-N 2.91Å; W48-S51 PolarHBondContact O-N 3.39Å; W48-S51 VanDerWaalsContact O-N 3.12Å
49	K	56.4	Low	59	Low	138 Å²	138	107.8 Å²	107.8	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-63	-26.5	177	-160.3	172	-173.3	178.5	0	113.5	G45 R53	G45-K49 PolarHBondContact O-N 3.03Å; K49-R53 WeakPolarHBondContact O-CB 3.08Å
50	R	57.2	Low	57.3	Low	169 Å²	169	110.2 Å²	110.2	64%	0.638	58%	0.58	S	S	*	*	H	α-helix	trans	-76.5	-26.8	175.2	-89.1	-179.1	-84	-177.8	-9.7	113.5	S46 R47 W48	S46-R50 WeakPolarHBondContact O-CB 3.47Å; S46-R50 VanDerWaalsContact O-CG 3.29Å; S46-R50 WeakPolarHBondContact O-CG 3.49Å; S46-R50 PolarHBondContact O-N 3.24Å; S46-R50 PolarHBondContact O-NE 3.06Å; S46-R50 PolarHBondContact OG-NH2 3.02Å; S46-R50 VanDerWaalsContact OG-NH2 3.13Å; R47-R50 PolarHBondContact O-N 3.48Å; W48-R50 PolarHBondContact O-N 2.91Å
51	S	51.3	Low	55.8	Low	96 Å²	96	114 Å²	114	67%	0.671	61%	0.608	S	S	*	*	H	α-helix	trans	-81.2	-16.6	179.9	-172.4	0	0	0	0	113.7	W48	W48-S51 PolarHBondContact O-N 3.39Å; W48-S51 VanDerWaalsContact O-N 3.12Å
52	L	52.5	Low	54.3	Low	110 Å²	110	111.2 Å²	111.2	58%	0.576	60%	0.596	S	S	*	*	S	Bend	trans	-107.5	2.1	-177.6	-63.7	179	0	0	0	113.5	F41	F41-L52 HydrophobicContact CD2-CD1 3.94Å; F41-L52 HydrophobicContact CE2-CD1 4.27Å
53	R	46.3	Very low	52.3	Low	202 Å²	202	114.1 Å²	114.1	76%	0.762	61%	0.614	S	S	*	*			trans	-105.9	65.3	-174.4	-160.2	176.6	-174.2	164.7	2.4	111.2	K49	K49-R53 WeakPolarHBondContact O-CB 3.08Å
54	S	34.7	Very low	50.6	Low	108 Å²	108	115.8 Å²	115.8	76%	0.755	63%	0.625	S	S	*	*			trans	-175.4	138.7	153.6	60.8	0	0	0	0	109.3
55	P	41.7	Very low	48.7	Very low	126 Å²	126	123.8 Å²	123.8	82%	0.818	66%	0.658	S	S	*	*	S	Bend	cis	-108.1	172.5	8.5	34	-19.1	0	0	0	112.9	V57	P55-V57 PolarHBondContact O-N 3.19Å
56	D	43.3	Very low	47.1	Very low	165 Å²	165	129.3 Å²	129.3	88%	0.882	67%	0.67	S	S	*	*	S	Bend	trans	-36.4	118.7	174.4	-88.6	-47.1	0	0	0	114.3
57	V	40.5	Very low	45.6	Very low	107 Å²	107	133.2 Å²	133.2	65%	0.648	69%	0.685	S	S	*	*				162.9	133	129.4	164	0	0	0	0	105.3	P55 E59	P55-V57 PolarHBondContact O-N 3.19Å; V57-E59 HydrophobicContact CG1-CG 3.88Å; V57-E59 WeakPolarHBondContact CG1-OE1 3.41Å; V57-E59 PolarHBondContact O-N 2.88Å
58	S	44.1	Very low	44.5	Very low	115 Å²	115	131.8 Å²	131.8	80%	0.804	69%	0.687	S	S	*	*			trans	-63.4	69	175.1	171.5	0	0	0	0	111.4	D60	S58-D60 PolarHBondContact O-N 3.27Å
59	E	42.3	Very low	42.9	Very low	147 Å²	147	130.5 Å²	130.5	69%	0.687	70%	0.698	S	S	*	*			trans	-90.3	87.4	168.7	-59.6	-63.1	105.6	0	0	107.9	V57	V57-E59 HydrophobicContact CG1-CG 3.88Å; V57-E59 WeakPolarHBondContact CG1-OE1 3.41Å; V57-E59 PolarHBondContact O-N 2.88Å
60	D	45	Very low	41.6	Very low	86 Å²	86	128.4 Å²	128.4	46%	0.46	70%	0.7	S	S	.	*			trans	-56	129.2	165.3	-167.7	23.6	0	0	0	108.7	S58 F62 T63	S58-D60 PolarHBondContact O-N 3.27Å; D60-F62 PolarHBondContact O-N 2.83Å; D60-F62 WeakPolarHBondContact OD1-CD2 3.28Å; D60-F62 WeakPolarHBondContact OD2-CB 2.99Å; D60-T63 PolarHBondContact O-N 3.34Å; D60-T63 PolarHBondContact O-OG1 3.31Å
61	P	49.9	Very low	40.5	Very low	126 Å²	126	129.3 Å²	129.3	82%	0.818	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	8.5	177.2	-23.7	33.8	0	0	0	115.5
62	F	45.5	Very low	39.5	Very low	76 Å²	76	128 Å²	128	33%	0.333	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108	-6.9	-170.6	-71.9	-107.1	0	0	0	113.6	Y26 V28 D60 S64	Y26-F62 AromaticContact CD1-CD1 3.7Å; Y26-F62 HydrophobicContact CD1-CD1 3.7Å; Y26-F62 HydrophobicContact CD1-CE1 4.21Å; Y26-F62 HydrophobicContact CE1-CD1 4.08Å; V28-F62 HydrophobicContact CB-CD1 4.27Å; V28-F62 HydrophobicContact CB-CE1 3.64Å; V28-F62 HydrophobicContact CB-CZ 4.11Å; V28-F62 HydrophobicContact CG1-CD1 3.27Å; V28-F62 HydrophobicContact CG1-CE1 3.15Å; V28-F62 HydrophobicContact CG1-CG 4.16Å; V28-F62 HydrophobicContact CG1-CZ 3.91Å; V28-F62 HydrophobicContact CG2-CD1 4.16Å; V28-F62 HydrophobicContact CG2-CE1 3.12Å; V28-F62 HydrophobicContact CG2-CE2 4.26Å; V28-F62 HydrophobicContact CG2-CZ 3.17Å; D60-F62 PolarHBondContact O-N 2.83Å; D60-F62 WeakPolarHBondContact OD1-CD2 3.28Å; D60-F62 WeakPolarHBondContact OD2-CB 2.99Å; F62-S64 PolarHBondContact O-N 2.81Å
63	T	36.1	Very low	39	Very low	102 Å²	102	130.6 Å²	130.6	63%	0.626	73%	0.727	S	S	*	*			trans	-85.4	98	176.6	37.4	0	0	0	0	110.7	D60	D60-T63 PolarHBondContact O-N 3.34Å; D60-T63 PolarHBondContact O-OG1 3.31Å
64	S	43.3	Very low	38.7	Very low	80 Å²	80	127.4 Å²	127.4	56%	0.559	73%	0.73	S	S	*	*			trans	-69.1	125	156	54.2	0	0	0	0	108.7	F62	F62-S64 PolarHBondContact O-N 2.81Å
65	H	39.8	Very low	39	Very low	186 Å²	186	127.9 Å²	127.9	86%	0.861	73%	0.733	S	S	*	*			trans	-169.6	147.9	142.7	-85.2	-54.5	0	0	0	111.5
66	Q	39.3	Very low	38.9	Very low	168 Å²	168	128.4 Å²	128.4	79%	0.785	73%	0.73	S	S	*	*			trans	-75	149.3	-171.4	-65.6	153.6	10.2	0	0	112.3
67	D	29.5	Very low	38.8	Very low	156 Å²	156	129.7 Å²	129.7	83%	0.834	73%	0.728	S	S	*	*				159	157.7	112.7	-84.6	-41.1	0	0	0	113.6
68	E	35.1	Very low	39	Very low	177 Å²	177	133 Å²	133	83%	0.827	74%	0.738	S	S	*	*			trans	-61.8	154	-165	-80.2	-113	95	0	0	119.4
69	S	28.2	Very low	39	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	73%	0.729	S	S	*	*			trans	92	133.9	144.7	89.3	0	0	0	0	120.4
70	S	28.3	Very low	38.8	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	73%	0.725	S	S	*	*			trans	98.9	100.2	143.2	-50.5	0	0	0	0	118.6
71	E	34.8	Very low	38.6	Very low	188 Å²	188	133.1 Å²	133.1	88%	0.879	73%	0.734	S	S	*	*			trans	65.1	128.2	137.7	-42.3	-59.7	114.6	0	0	120.5
72	G	29.8	Very low	38	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	73%	0.728	S	S	*	*			trans	130.9	79.1	145.5	0	0	0	0	0	116.9
73	L	40.6	Very low	37.9	Very low	165 Å²	165	135.7 Å²	135.7	86%	0.864	74%	0.736	S	S	*	*			trans	36.2	111.9	136.8	-59.3	168.3	0	0	0	118.1
74	T	41.3	Very low	38	Very low	135 Å²	135	136.6 Å²	136.6	83%	0.828	73%	0.733	S	S	*	*				158.3	52.2	128.5	45.9	0	0	0	0	113.1	N76	T74-N76 PolarHBondContact O-N 2.84Å
75	S	41	Very low	37.4	Very low	117 Å²	117	138 Å²	138	82%	0.818	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	78	162.8	-94.3	0	0	0	0	110.1
76	N	40	Very low	37.5	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.9	-7.8	165.3	-84.2	-46.5	0	0	0	115.3	T74	T74-N76 PolarHBondContact O-N 2.84Å
77	F	40	Very low	37.3	Very low	192 Å²	192	132.6 Å²	132.6	84%	0.842	72%	0.717	S	S	*	*	S	Bend	trans	-94.1	-5.9	-170.4	-104.4	-87.3	0	0	0	116.7
78	M	44.5	Very low	37.6	Very low	177 Å²	177	132.2 Å²	132.2	87%	0.872	72%	0.716	S	S	*	*	S	Bend	trans	-104.4	-6.7	-175.8	-68.9	-74.6	-173.4	0	0	114.4
79	V	45	Very low	37.9	Very low	101 Å²	101	130.2 Å²	130.2	61%	0.612	71%	0.71	S	S	*	*	S	Bend	trans	-88	-21.5	-177.2	-156.8	0	0	0	0	111.9
80	E	37.6	Very low	38.1	Very low	130 Å²	130	130 Å²	130	61%	0.607	71%	0.708	S	S	*	*	H	α-helix	trans	-72.3	-35.7	-175.9	-152.4	85.6	-151.2	0	0	112.8	F82 Q84	E80-F82 PolarHBondContact O-N 3.4Å; E80-Q84 PolarHBondContact O-N 3.43Å
81	N	40.3	Very low	38.4	Very low	119 Å²	119	134.4 Å²	134.4	64%	0.636	72%	0.716	S	S	*	*	H	α-helix	trans	-76.2	-23.2	-174.4	-103.2	52.3	0	0	0	114.1	T85	N81-T85 PolarHBondContact O-OG1 2.6Å
82	F	37.8	Very low	38.5	Very low	158 Å²	158	131 Å²	131	69%	0.693	71%	0.708	S	S	*	*	H	α-helix	trans	-82.2	-27.8	178.7	-156.2	-98	0	0	0	112.2	E80 T86	E80-F82 PolarHBondContact O-N 3.4Å; F82-T86 PolarHBondContact O-OG1 2.95Å
83	L	43.4	Very low	38.9	Very low	98 Å²	98	133.8 Å²	133.8	51%	0.513	71%	0.714	S	S	.	*	H	α-helix	trans	-79.4	-20.6	177	-72.2	176.7	0	0	0	113.7	T86	L83-T86 PolarHBondContact O-OG1 3.49Å
84	Q	37.8	Very low	38.6	Very low	121 Å²	121	134.6 Å²	134.6	57%	0.565	71%	0.713	S	S	*	*	H	α-helix	trans	-73.7	-40.2	173.4	-76.8	177.9	7.9	0	0	111.7	E80 T86 K87	E80-Q84 PolarHBondContact O-N 3.43Å; Q84-T86 PolarHBondContact O-N 3.04Å; Q84-K87 PolarHBondContact O-N 3.09Å
85	T	31.7	Very low	38.6	Very low	110 Å²	110	135.8 Å²	135.8	68%	0.675	71%	0.714	S	S	*	*	H	α-helix	trans	-68.1	-22.5	-177.5	-53.1	0	0	0	0	112.8	N81	N81-T85 PolarHBondContact O-OG1 2.6Å
86	T	41.4	Very low	38.4	Very low	86 Å²	86	137.5 Å²	137.5	53%	0.528	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-10.8	179.4	38.9	0	0	0	0	114.3	F82 L83 Q84	F82-T86 PolarHBondContact O-OG1 2.95Å; L83-T86 PolarHBondContact O-OG1 3.49Å; Q84-T86 PolarHBondContact O-N 3.04Å
87	K	35.1	Very low	38.9	Very low	153 Å²	153	135.1 Å²	135.1	67%	0.665	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-84.1	-14.4	178.9	-87.3	172.9	175.9	163.7	0	114.6	Q84 L89 S90	Q84-K87 PolarHBondContact O-N 3.09Å; K87-L89 VanDerWaalsContact C-N 3.31Å; K87-L89 PolarHBondContact O-N 2.84Å; K87-S90 PolarHBondContact O-OG 3.22Å
88	D	35	Very low	39.1	Very low	149 Å²	149	133.8 Å²	133.8	80%	0.797	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-85.3	11.5	-179.6	-80.8	-25.5	0	0	0	115.3
89	L	43.2	Very low	38.7	Very low	134 Å²	134	128.8 Å²	128.8	70%	0.702	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-120.2	27.9	175.4	-75.3	165.3	0	0	0	113.3	K87 F91	K87-L89 VanDerWaalsContact C-N 3.31Å; K87-L89 PolarHBondContact O-N 2.84Å; L89-F91 HydrophobicContact CD2-CE2 4.01Å; L89-F91 PolarHBondContact O-N 2.81Å; L89-F91 VanDerWaalsContact O-N 3.11Å
90	S	32	Very low	38.9	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	71%	0.71	S	S	*	*			trans	-80.3	84.7	166.9	53.2	0	0	0	0	110.4	K87 T92	K87-S90 PolarHBondContact O-OG 3.22Å; S90-T92 PolarHBondContact O-N 3.19Å; S90-T92 VanDerWaalsContact O-N 3.12Å
91	F	34.3	Very low	38.8	Very low	187 Å²	187	130.8 Å²	130.8	82%	0.82	72%	0.722	S	S	*	*			trans	-63.2	107.2	165.1	-81.4	-94.2	0	0	0	109.2	L89	L89-F91 HydrophobicContact CD2-CE2 4.01Å; L89-F91 PolarHBondContact O-N 2.81Å; L89-F91 VanDerWaalsContact O-N 3.11Å
92	T	36.8	Very low	39.1	Very low	117 Å²	117	130.4 Å²	130.4	72%	0.718	73%	0.729	S	S	*	*			trans	-80.8	126.8	164.7	48.6	0	0	0	0	108.7	S90 Q94	S90-T92 PolarHBondContact O-N 3.19Å; S90-T92 VanDerWaalsContact O-N 3.12Å; T92-Q94 VanDerWaalsContact C-N 3.34Å; T92-Q94 PolarHBondContact O-N 3.25Å
93	P	38.3	Very low	39.7	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	74%	0.737	S	S	*	*			trans	-81.1	87.5	170.9	31.3	-27.7	0	0	0	107.6	N95	P93-N95 PolarHBondContact O-N 3.28Å
94	Q	34.8	Very low	39.9	Very low	182 Å²	182	134 Å²	134	85%	0.85	75%	0.747	S	S	*	*			trans	-79.7	97.5	170.2	-167.7	171	69.9	0	0	108.9	T92 N96	T92-Q94 VanDerWaalsContact C-N 3.34Å; T92-Q94 PolarHBondContact O-N 3.25Å; Q94-N96 PolarHBondContact O-N 3.18Å
95	N	41.3	Very low	40.2	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	76%	0.757	S	S	*	*			trans	-58.5	113.9	161.9	-95.4	-19.2	0	0	0	109.5	P93	P93-N95 PolarHBondContact O-N 3.28Å
96	N	36	Very low	41	Very low	152 Å²	152	138 Å²	138	81%	0.813	76%	0.759	S	S	*	*			trans	-152.2	136.1	143	-149.4	25.3	0	0	0	109.6	Q94	Q94-N96 PolarHBondContact O-N 3.18Å
97	P	51.2	Low	41.1	Very low	89 Å²	89	138.4 Å²	138.4	58%	0.578	77%	0.765	S	S	*	*			trans	-87.1	156.9	-172.1	37.1	-29.2	0	0	0	109.8
98	N	44.4	Very low	41.7	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	77%	0.765	S	S	*	*			trans	94.1	94.9	166.3	-37.2	-24.2	0	0	0	115.1
99	G	35.6	Very low	42.7	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	75%	0.749	S	S	*	*			trans	166.8	89.5	166.2	0	0	0	0	0	111.9	F101	G99-F101 PolarHBondContact O-N 3.49Å
100	G	49.5	Very low	43.7	Very low	76 Å²	76	133 Å²	133	78%	0.784	74%	0.739	S	S	*	*			trans	-60.2	129.3	-179.9	0	0	0	0	0	112.7
101	F	35.2	Very low	44.9	Very low	196 Å²	196	134.7 Å²	134.7	86%	0.86	74%	0.741	S	S	*	*			trans	-138.2	103.1	156.6	-104.6	-87.7	0	0	0	109.1	G99	G99-F101 PolarHBondContact O-N 3.49Å
102	S	46.8	Very low	45.9	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	74%	0.737	S	S	*	*			trans	-74.7	118	170.2	-162.4	0	0	0	0	108.7
103	R	51.1	Low	47	Very low	227 Å²	227	132.2 Å²	132.2	86%	0.857	73%	0.725	S	S	*	*			trans	-118	90.1	155.6	-78.6	-165.2	-159.5	-163.7	6.6	109.1	T105	R103-T105 PolarHBondContact O-N 3.22Å; R103-T105 VanDerWaalsContact O-N 3.12Å
104	S	47.4	Very low	47.9	Very low	104 Å²	104	129 Å²	129	73%	0.727	70%	0.701	S	S	*	*			trans	-64.8	92.7	160	165.7	0	0	0	0	109.6
105	T	43.3	Very low	49	Very low	125 Å²	125	124.7 Å²	124.7	77%	0.767	68%	0.681	S	S	*	*			trans	-107.4	93.6	155.8	-50.6	0	0	0	0	107.1	R103 S107	R103-T105 PolarHBondContact O-N 3.22Å; R103-T105 VanDerWaalsContact O-N 3.12Å; T105-S107 PolarHBondContact O-N 3Å
106	R	48.2	Very low	49.6	Very low	191 Å²	191	119.7 Å²	119.7	72%	0.721	66%	0.662	S	S	*	*			trans	-66.3	88.3	179.4	-166.5	-178.6	-165	-167.2	1	109.4	F108	R106-F108 HydrophobicContact CG-CD2 3.7Å; R106-F108 HydrophobicContact CG-CE2 3.62Å; R106-F108 HydrophobicContact CG-CG 4.36Å; R106-F108 HydrophobicContact CG-CZ 4.19Å; R106-F108 PolarHBondContact O-N 3.48Å
107	S	44.8	Very low	50.5	Low	94 Å²	94	117.7 Å²	117.7	66%	0.657	65%	0.651	S	S	*	*			trans	-80.4	90.6	167.8	63.2	0	0	0	0	108.6	T105 I109	T105-S107 PolarHBondContact O-N 3Å; S107-I109 PolarHBondContact O-N 3.09Å
108	F	46.5	Very low	50.8	Low	151 Å²	151	119 Å²	119	66%	0.662	64%	0.644	S	S	*	*			trans	-71.8	76.6	161.9	-73.2	-74	0	0	0	109	R106	R106-F108 HydrophobicContact CG-CD2 3.7Å; R106-F108 HydrophobicContact CG-CE2 3.62Å; R106-F108 HydrophobicContact CG-CG 4.36Å; R106-F108 HydrophobicContact CG-CZ 4.19Å; R106-F108 PolarHBondContact O-N 3.48Å
109	I	56.7	Low	51.2	Low	91 Å²	91	117.9 Å²	117.9	47%	0.467	63%	0.632	S	S	.	*			trans	-101.2	111.5	160.6	-57.6	177.4	0	0	0	103.5	S107 I113 L114	S107-I109 PolarHBondContact O-N 3.09Å; I109-I113 HydrophobicContact CG2-CB 3.9Å; I109-I113 HydrophobicContact CG2-CG2 3.98Å; I109-L114 HydrophobicContact CG2-CD1 4.44Å; I109-L114 HydrophobicContact CG2-CG 4.46Å
110	T	63.7	Low	51.8	Low	79 Å²	79	117.4 Å²	117.4	49%	0.485	62%	0.621	S	S	.	*			trans	-62.2	143.8	174.3	50.2	0	0	0	0	108.5	E112 I113 L114	T110-E112 PolarHBondContact O-N 2.67Å; T110-I113 PolarHBondContact O-N 2.63Å; T110-L114 PolarHBondContact O-N 3.49Å
111	D	57.3	Low	51.8	Low	133 Å²	133	117.9 Å²	117.9	71%	0.711	61%	0.605	S	S	*	*	H	α-helix	trans	-52.2	-28.3	179	-73.6	-53.3	0	0	0	111.9	I113 L114 E115	D111-I113 PolarHBondContact O-N 3.15Å; D111-L114 PolarHBondContact O-N 3.26Å; D111-E115 VanDerWaalsContact O-CB 3.27Å; D111-E115 WeakPolarHBondContact O-CB 3.27Å; D111-E115 PolarHBondContact O-N 3.16Å
112	E	55.6	Low	52.7	Low	160 Å²	160	115.6 Å²	115.6	75%	0.748	59%	0.591	S	S	*	*	H	α-helix	trans	-61.6	-39.5	174.2	-61.2	-167.6	162.8	0	0	114.6	T110 E115 A116	T110-E112 PolarHBondContact O-N 2.67Å; E112-E115 PolarHBondContact O-N 3.27Å; E112-A116 VanDerWaalsContact O-CB 3.26Å; E112-A116 WeakPolarHBondContact O-CB 2.96Å; E112-A116 PolarHBondContact O-N 2.95Å
113	I	59.6	Low	52.9	Low	91 Å²	91	117.8 Å²	117.8	47%	0.467	59%	0.587	S	S	.	*	H	α-helix	trans	-72.5	-38.4	178.2	-64	171	0	0	0	109.5	I109 T110 D111 E115 A116 L117	I109-I113 HydrophobicContact CG2-CB 3.9Å; I109-I113 HydrophobicContact CG2-CG2 3.98Å; T110-I113 PolarHBondContact O-N 2.63Å; D111-I113 PolarHBondContact O-N 3.15Å; I113-E115 VanDerWaalsContact C-N 3.31Å; I113-A116 PolarHBondContact O-N 3.4Å; I113-L117 HydrophobicContact CG2-CD1 4.23Å; I113-L117 WeakPolarHBondContact O-CB 3.27Å; I113-L117 VanDerWaalsContact O-CG 3.29Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 3.41Å
114	L	57.8	Low	53	Low	61 Å²	61	109 Å²	109	32%	0.319	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-37.4	174.9	-123.3	158.8	0	0	0	111.3	I109 T110 D111 R118	I109-L114 HydrophobicContact CG2-CD1 4.44Å; I109-L114 HydrophobicContact CG2-CG 4.46Å; T110-L114 PolarHBondContact O-N 3.49Å; D111-L114 PolarHBondContact O-N 3.26Å; L114-R118 VanDerWaalsContact CD2-NH1 3.32Å; L114-R118 WeakPolarHBondContact O-CB 3.26Å; L114-R118 VanDerWaalsContact O-CG 3.26Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 2.75Å
115	E	56.8	Low	53.4	Low	90 Å²	90	110.6 Å²	110.6	42%	0.421	56%	0.556	S	S	.	*	H	α-helix	trans	-70.5	-37.8	175.1	-151.8	68.9	-165.1	0	0	111.9	D111 E112 I113 R118 K119	D111-E115 VanDerWaalsContact O-CB 3.27Å; D111-E115 WeakPolarHBondContact O-CB 3.27Å; D111-E115 PolarHBondContact O-N 3.16Å; E112-E115 PolarHBondContact O-N 3.27Å; I113-E115 VanDerWaalsContact C-N 3.31Å; E115-R118 PolarHBondContact O-N 3.39Å; E115-R118 IonicContact OE2-NH1 2.67Å; E115-K119 WeakPolarHBondContact O-CB 3.38Å; E115-K119 PolarHBondContact O-N 3.49Å
116	A	53.9	Low	53.8	Low	56 Å²	56	110.4 Å²	110.4	46%	0.463	55%	0.55	S	S	.	*	H	α-helix	trans	-66.7	-42.8	174.8	0	0	0	0	0	111.6	E112 I113 K119 A120	E112-A116 VanDerWaalsContact O-CB 3.26Å; E112-A116 WeakPolarHBondContact O-CB 2.96Å; E112-A116 PolarHBondContact O-N 2.95Å; I113-A116 PolarHBondContact O-N 3.4Å; A116-K119 PolarHBondContact O-N 2.89Å; A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 2.67Å
117	L	54.1	Low	54.4	Low	110 Å²	110	105.5 Å²	105.5	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-64.2	-40.9	173.3	-71.4	172.7	0	0	0	111.3	I113 A120 D121	I113-L117 HydrophobicContact CG2-CD1 4.23Å; I113-L117 WeakPolarHBondContact O-CB 3.27Å; I113-L117 VanDerWaalsContact O-CG 3.29Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 3.41Å; L117-A120 PolarHBondContact O-N 2.98Å; L117-D121 WeakPolarHBondContact O-CB 3.09Å; L117-D121 PolarHBondContact O-N 3.38Å
118	R	58.1	Low	55.1	Low	116 Å²	116	104.7 Å²	104.7	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-37.1	173.7	-77.3	177.2	179.8	124.8	0.7	113	L114 E115 R122	L114-R118 VanDerWaalsContact CD2-NH1 3.32Å; L114-R118 WeakPolarHBondContact O-CB 3.26Å; L114-R118 VanDerWaalsContact O-CG 3.26Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 2.75Å; E115-R118 PolarHBondContact O-N 3.39Å; E115-R118 IonicContact OE2-NH1 2.67Å; R118-R122 VanDerWaalsContact O-CG 3.28Å; R118-R122 WeakPolarHBondContact O-CG 3.32Å; R118-R122 PolarHBondContact O-N 3.14Å
119	K	52.7	Low	55.9	Low	140 Å²	140	101.4 Å²	101.4	61%	0.609	53%	0.525	S	S	*	.	H	α-helix	trans	-71.2	-40.6	174.9	-89.5	179.3	176.8	172.7	0	112.2	E115 A116 D121 R122 K123	E115-K119 WeakPolarHBondContact O-CB 3.38Å; E115-K119 PolarHBondContact O-N 3.49Å; A116-K119 PolarHBondContact O-N 2.89Å; K119-D121 VanDerWaalsContact C-N 3.35Å; K119-R122 PolarHBondContact O-N 2.9Å; K119-K123 WeakPolarHBondContact O-CB 3.41Å; K119-K123 PolarHBondContact O-N 2.88Å
120	A	49.8	Very low	56.3	Low	63 Å²	63	99.1 Å²	99.1	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-39.4	175.2	0	0	0	0	0	111.4	A116 L117 K123 G124	A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 2.67Å; L117-A120 PolarHBondContact O-N 2.98Å; A120-K123 PolarHBondContact O-N 2.01Å; A120-G124 PolarHBondContact O-N 3.33Å
121	D	47.7	Very low	56.5	Low	85 Å²	85	98.6 Å²	98.6	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-37	177.2	-179.3	41.9	0	0	0	112.5	L117 K119 R125	L117-D121 WeakPolarHBondContact O-CB 3.09Å; L117-D121 PolarHBondContact O-N 3.38Å; K119-D121 VanDerWaalsContact C-N 3.35Å; D121-R125 WeakPolarHBondContact O-CB 3.43Å; D121-R125 PolarHBondContact O-N 3.49Å; D121-R125 VanDerWaalsContact O-N 3.09Å; D121-R125 IonicContact OD1-NE 3.95Å; D121-R125 IonicContact OD1-NH2 2.63Å; D121-R125 IonicContact OD2-CZ 3.99Å; D121-R125 IonicContact OD2-NE 3.75Å; D121-R125 IonicContact OD2-NH2 3.67Å; D121-R125 PolarHBondContact OD2-NH2 3.48Å
122	R	53.9	Low	57	Low	148 Å²	148	93.4 Å²	93.4	56%	0.558	49%	0.491	S	S	*	.	H	α-helix	trans	-66	-45	170.7	-72.9	174.5	-172.9	165.3	4.2	111.7	R118 K119 R125 D126	R118-R122 VanDerWaalsContact O-CG 3.28Å; R118-R122 WeakPolarHBondContact O-CG 3.32Å; R118-R122 PolarHBondContact O-N 3.14Å; K119-R122 PolarHBondContact O-N 2.9Å; R122-R125 PolarHBondContact O-N 3.44Å; R122-D126 PolarHBondContact O-N 2.82Å; R122-D126 VanDerWaalsContact O-N 3.15Å
123	K	51.4	Low	57.9	Low	159 Å²	159	91 Å²	91	69%	0.691	48%	0.484	S	S	*	.	H	α-helix	trans	-70.4	-33.6	-179.1	-171	148.3	-179.2	173.1	0	113.5	K119 A120 V127	K119-K123 WeakPolarHBondContact O-CB 3.41Å; K119-K123 PolarHBondContact O-N 2.88Å; A120-K123 PolarHBondContact O-N 2.01Å; K123-V127 WeakPolarHBondContact O-CG2 3.35Å
124	G	54.1	Low	58.5	Low	41 Å²	41	88.6 Å²	88.6	42%	0.423	48%	0.477	S	S	.	.	H	α-helix	trans	-68.4	-39	171.9	0	0	0	0	0	112.2	A120 D126 V127 V128	A120-G124 PolarHBondContact O-N 3.33Å; G124-D126 PolarHBondContact O-N 2.89Å; G124-V127 PolarHBondContact O-N 3.46Å; G124-V128 PolarHBondContact O-N 3.09Å; G124-V128 VanDerWaalsContact O-N 3.12Å
125	R	54.8	Low	59.3	Low	139 Å²	139	85.9 Å²	85.9	53%	0.525	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-41.5	175.8	-109.6	-178.8	-81.7	170.6	-10.5	112.8	D121 R122 V127 V128 V129	D121-R125 WeakPolarHBondContact O-CB 3.43Å; D121-R125 PolarHBondContact O-N 3.49Å; D121-R125 VanDerWaalsContact O-N 3.09Å; D121-R125 IonicContact OD1-NE 3.95Å; D121-R125 IonicContact OD1-NH2 2.63Å; D121-R125 IonicContact OD2-CZ 3.99Å; D121-R125 IonicContact OD2-NE 3.75Å; D121-R125 IonicContact OD2-NH2 3.67Å; D121-R125 PolarHBondContact OD2-NH2 3.48Å; R122-R125 PolarHBondContact O-N 3.44Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.47Å; R125-V128 PolarHBondContact O-N 3.32Å; R125-V129 VanDerWaalsContact O-CB 3.24Å; R125-V129 WeakPolarHBondContact O-CB 3.44Å; R125-V129 WeakPolarHBondContact O-CG2 3.33Å; R125-V129 PolarHBondContact O-N 3.36Å
126	D	53.3	Low	60.3	Low	120 Å²	120	83.3 Å²	83.3	64%	0.642	45%	0.454	S	S	*	.	H	α-helix	trans	-66.1	-34.4	-179	-67.8	-38.5	0	0	0	112.6	R122 G124 G130	R122-D126 PolarHBondContact O-N 2.82Å; R122-D126 VanDerWaalsContact O-N 3.15Å; G124-D126 PolarHBondContact O-N 2.89Å; D126-G130 PolarHBondContact O-N 3.48Å
127	V	59.6	Low	61.2	Low	89 Å²	89	87.2 Å²	87.2	54%	0.539	46%	0.461	S	S	.	.	H	α-helix	trans	-73.5	-44.4	177.7	178.4	0	0	0	0	111.5	K123 G124 R125 G130 L131	K123-V127 WeakPolarHBondContact O-CG2 3.35Å; G124-V127 PolarHBondContact O-N 3.46Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.47Å; V127-G130 PolarHBondContact O-N 2.76Å; V127-L131 HydrophobicContact CG1-CD1 4.09Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.38Å; V127-L131 VanDerWaalsContact O-N 3.11Å
128	V	59.7	Low	62.1	Low	76 Å²	76	91.4 Å²	91.4	46%	0.461	47%	0.469	S	S	.	.	H	α-helix	trans	-64.9	-40.6	175.9	153.6	0	0	0	0	111.8	G124 R125 S132	G124-V128 PolarHBondContact O-N 3.09Å; G124-V128 VanDerWaalsContact O-N 3.12Å; R125-V128 PolarHBondContact O-N 3.32Å; V128-S132 WeakPolarHBondContact O-CB 3.29Å; V128-S132 PolarHBondContact O-N 3.34Å; V128-S132 PolarHBondContact O-OG 2.93Å
129	V	62.5	Low	62.8	Low	83 Å²	83	86.4 Å²	86.4	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-68.7	-38.3	177.2	173.3	0	0	0	0	110.7	R125 L131 S132 N133	R125-V129 VanDerWaalsContact O-CB 3.24Å; R125-V129 WeakPolarHBondContact O-CB 3.44Å; R125-V129 WeakPolarHBondContact O-CG2 3.33Å; R125-V129 PolarHBondContact O-N 3.36Å; V129-L131 PolarHBondContact O-N 2.88Å; V129-S132 WeakPolarHBondContact CA-OG 3.41Å; V129-S132 PolarHBondContact O-N 2.93Å; V129-S132 PolarHBondContact O-OG 2.7Å; V129-N133 WeakPolarHBondContact O-CB 3.43Å; V129-N133 PolarHBondContact O-N 2.91Å; V129-N133 VanDerWaalsContact O-N 3.09Å
130	G	66.3	Low	63.8	Low	42 Å²	42	80.4 Å²	80.4	43%	0.433	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-42.4	175.3	0	0	0	0	0	113.7	D126 V127 N133 A134	D126-G130 PolarHBondContact O-N 3.48Å; V127-G130 PolarHBondContact O-N 2.76Å; G130-N133 PolarHBondContact O-N 3.22Å; G130-A134 PolarHBondContact O-N 3.07Å
131	L	67.1	Low	65.1	Low	69 Å²	69	77.9 Å²	77.9	36%	0.361	41%	0.408	S	S	.	.	H	α-helix	trans	-75.7	-35.7	179.9	-67.3	165.2	0	0	0	112.2	V127 V129 N133 A134 C135 L148	V127-L131 HydrophobicContact CG1-CD1 4.09Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.38Å; V127-L131 VanDerWaalsContact O-N 3.11Å; V129-L131 PolarHBondContact O-N 2.88Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.81Å; L131-A134 PolarHBondContact O-N 2.79Å; L131-C135 WeakPolarHBondContact O-CB 3.38Å; L131-C135 PolarHBondContact O-N 3.17Å; L131-C135 PolarHBondContact O-SG 3.26Å; L131-L148 HydrophobicContact CB-CD2 4.47Å; L131-L148 HydrophobicContact CD1-CD2 3.37Å; L131-L148 HydrophobicContact CG-CD2 4.47Å
132	S	69	Low	66.2	Low	23 Å²	23	80.5 Å²	80.5	16%	0.161	42%	0.415	C	S	.	.	H	α-helix	trans	-62.1	-35	171.5	69.6	0	0	0	0	112.6	F35 V128 V129 C136	F35-S132 VanDerWaalsContact CD1-CB 3.47Å; V128-S132 WeakPolarHBondContact O-CB 3.29Å; V128-S132 PolarHBondContact O-N 3.34Å; V128-S132 PolarHBondContact O-OG 2.93Å; V129-S132 WeakPolarHBondContact CA-OG 3.41Å; V129-S132 PolarHBondContact O-N 2.93Å; V129-S132 PolarHBondContact O-OG 2.7Å; S132-C136 WeakPolarHBondContact O-CB 3.15Å; S132-C136 PolarHBondContact O-N 2.95Å
133	N	73.3	Confident	66.8	Low	111 Å²	111	77 Å²	77	59%	0.594	41%	0.414	S	S	*	.	H	α-helix	trans	-74.4	-35.9	176.4	-151.1	-1.3	0	0	0	111.6	V129 G130 L131 K137	V129-N133 WeakPolarHBondContact O-CB 3.43Å; V129-N133 PolarHBondContact O-N 2.91Å; V129-N133 VanDerWaalsContact O-N 3.09Å; G130-N133 PolarHBondContact O-N 3.22Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 2.81Å; N133-K137 VanDerWaalsContact O-CB 3.29Å; N133-K137 WeakPolarHBondContact O-CB 3.39Å; N133-K137 PolarHBondContact O-N 3.11Å
134	A	72.3	Confident	67.8	Low	39 Å²	39	74.2 Å²	74.2	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-47.9	171.8	0	0	0	0	0	112	G130 L131 C136 K137 W138	G130-A134 PolarHBondContact O-N 3.07Å; L131-A134 PolarHBondContact O-N 2.79Å; A134-C136 VanDerWaalsContact C-N 3.32Å; A134-C136 PolarHBondContact O-N 2.84Å; A134-K137 PolarHBondContact O-N 3.35Å; A134-W138 PolarHBondContact O-N 3.25Å
135	C	75.1	Confident	68.8	Low	4 Å²	4	72.6 Å²	72.6	3%	0.027	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-31.6	176.2	-64.1	0	0	0	0	113	F35 L131 G139 C140	F35-C135 HydrophobicContact CD2-CB 4.25Å; F35-C135 HydrophobicContact CE2-CB 4.4Å; L131-C135 WeakPolarHBondContact O-CB 3.38Å; L131-C135 PolarHBondContact O-N 3.17Å; L131-C135 PolarHBondContact O-SG 3.26Å; C135-G139 WeakPolarHBondContact O-CA 3.26Å; C135-G139 PolarHBondContact O-N 3.49Å; C135-C140 WeakPolarHBondContact CA-SG 3.43Å; C135-C140 HydrophobicContact CB-CB 3.62Å; C135-C140 WeakPolarHBondContact CB-SG 3.23Å; C135-C140 WeakPolarHBondContact SG-CB 3.04Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.27Å
136	C	77.7	Confident	69.6	Low	36 Å²	36	69 Å²	69	24%	0.243	38%	0.381	C	S	.	.	H	α-helix	trans	-70.1	-36.9	173.9	178.9	0	0	0	0	111.9	C31 S132 A134	C31-C136 HydrophobicContact CB-CB 3.9Å; C31-C136 WeakPolarHBondContact CB-SG 3.44Å; C31-C136 WeakPolarHBondContact SG-CA 3.21Å; C31-C136 WeakPolarHBondContact SG-CB 3.29Å; C31-C136 CovalentContact SG-SG 2.03Å; C31-C136 PolarHBondContact SG-SG 2.97Å; S132-C136 WeakPolarHBondContact O-CB 3.15Å; S132-C136 PolarHBondContact O-N 2.95Å; A134-C136 VanDerWaalsContact C-N 3.32Å; A134-C136 PolarHBondContact O-N 2.84Å
137	K	73.1	Confident	70.4	Confident	138 Å²	138	67.9 Å²	67.9	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-82.2	-47.3	-177.3	-173.9	171.7	176.5	178.5	0	113	K29 N133 A134	K29-K137 WeakPolarHBondContact CE-O 3Å; N133-K137 VanDerWaalsContact O-CB 3.29Å; N133-K137 WeakPolarHBondContact O-CB 3.39Å; N133-K137 PolarHBondContact O-N 3.11Å; A134-K137 PolarHBondContact O-N 3.35Å
138	W	73.1	Confident	70.9	Confident	198 Å²	198	66.1 Å²	66.1	75%	0.75	37%	0.37	S	S	*	.	H	α-helix	trans	-105.8	-13.2	-171.3	-55.2	104	0	0	0	113.3	A134	A134-W138 PolarHBondContact O-N 3.25Å
139	G	72.6	Confident	71.4	Confident	11 Å²	11	68.5 Å²	68.5	11%	0.113	39%	0.388	C	S	.	.			trans	81.1	150.6	-168.7	0	0	0	0	0	110.9	C135	C135-G139 WeakPolarHBondContact O-CA 3.26Å; C135-G139 PolarHBondContact O-N 3.49Å
140	C	74.3	Confident	71.9	Confident	14 Å²	14	67.8 Å²	67.8	10%	0.095	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-134.6	147.7	171.1	-74.4	0	0	0	0	110.5	V28 C135 E144 I145	V28-C140 PolarHBondContact O-N 3.12Å; C135-C140 WeakPolarHBondContact CA-SG 3.43Å; C135-C140 HydrophobicContact CB-CB 3.62Å; C135-C140 WeakPolarHBondContact CB-SG 3.23Å; C135-C140 WeakPolarHBondContact SG-CB 3.04Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.27Å; C140-E144 WeakPolarHBondContact CA-OE2 3.42Å; C140-E144 HydrophobicContact CB-CB 4.31Å; C140-I145 HydrophobicContact CB-CG1 4.16Å
141	S	76.6	Confident	72.2	Confident	10 Å²	10	69.1 Å²	69.1	7%	0.07	38%	0.38	C	S	.	.			trans	-82.5	161.1	172.8	64.9	0	0	0	0	111.7	S143 E144 I145	S141-S143 PolarHBondContact O-N 3.35Å; S141-S143 PolarHBondContact OG-OG 3.28Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å; S141-E144 WeakPolarHBondContact CB-OE2 3.08Å; S141-E144 PolarHBondContact N-OE2 3.12Å; S141-E144 PolarHBondContact O-N 3.17Å; S141-E144 VanDerWaalsContact O-N 3.16Å; S141-E144 VanDerWaalsContact OG-CG 3.31Å; S141-E144 WeakPolarHBondContact OG-CG 3.36Å; S141-E144 PolarHBondContact OG-N 3.11Å; S141-E144 PolarHBondContact OG-OE2 3.5Å; S141-I145 WeakPolarHBondContact O-CG1 3.48Å; S141-I145 PolarHBondContact O-N 3.26Å; S141-I145 VanDerWaalsContact O-N 3.09Å
142	K	70.9	Confident	72.5	Confident	140 Å²	140	69.1 Å²	69.1	61%	0.609	38%	0.381	S	S	*	.	H	α-helix	trans	-58.8	-34.3	178.7	-175.9	177.7	177.3	178.4	0	113	T42 S146	T42-K142 HydrophobicContact CG2-CG 4.01Å; K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.19Å
143	S	66.6	Low	72.7	Confident	75 Å²	75	71.8 Å²	71.8	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-68.5	-41.1	176.9	44.7	0	0	0	0	111.7	S141 I145 S146 S147	S141-S143 PolarHBondContact O-N 3.35Å; S141-S143 PolarHBondContact OG-OG 3.28Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å; S143-I145 VanDerWaalsContact C-N 3.34Å; S143-I145 PolarHBondContact O-N 3.43Å; S143-S146 WeakPolarHBondContact CA-OG 3.25Å; S143-S146 PolarHBondContact O-N 3.22Å; S143-S146 PolarHBondContact O-OG 3.44Å; S143-S147 PolarHBondContact O-N 3.46Å
144	E	72.3	Confident	72.6	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-40	175.4	-71	167.8	127.9	0	0	111.6	C140 S141 S146 S147	C140-E144 WeakPolarHBondContact CA-OE2 3.42Å; C140-E144 HydrophobicContact CB-CB 4.31Å; S141-E144 WeakPolarHBondContact CB-OE2 3.08Å; S141-E144 PolarHBondContact N-OE2 3.12Å; S141-E144 PolarHBondContact O-N 3.17Å; S141-E144 VanDerWaalsContact O-N 3.16Å; S141-E144 VanDerWaalsContact OG-CG 3.31Å; S141-E144 WeakPolarHBondContact OG-CG 3.36Å; S141-E144 PolarHBondContact OG-N 3.11Å; S141-E144 PolarHBondContact OG-OE2 3.5Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.49Å; E144-S147 WeakPolarHBondContact O-CB 3.43Å; E144-S147 PolarHBondContact O-N 3.12Å; E144-S147 PolarHBondContact O-OG 2.97Å
145	I	75	Confident	72.6	Confident	7 Å²	7	71.4 Å²	71.4	4%	0.036	39%	0.385	C	S	.	.	H	α-helix	trans	-68	-36.4	176.1	-57.4	161	0	0	0	110.6	L30 A38 V39 T42 C140 S141 S143 S147 L148	L30-I145 HydrophobicContact CD1-CD1 3.4Å; L30-I145 VanDerWaalsContact CD1-CD1 3.4Å; A38-I145 HydrophobicContact CB-CD1 4.2Å; V39-I145 HydrophobicContact CB-CG2 4.35Å; V39-I145 HydrophobicContact CG2-CG2 3.63Å; T42-I145 HydrophobicContact CG2-CG2 4.33Å; T42-I145 WeakPolarHBondContact OG1-CG2 3.19Å; C140-I145 HydrophobicContact CB-CG1 4.16Å; S141-I145 WeakPolarHBondContact O-CG1 3.48Å; S141-I145 PolarHBondContact O-N 3.26Å; S141-I145 VanDerWaalsContact O-N 3.09Å; S143-I145 VanDerWaalsContact C-N 3.34Å; S143-I145 PolarHBondContact O-N 3.43Å; I145-S147 PolarHBondContact O-N 3.13Å; I145-L148 VanDerWaalsContact O-CB 3.32Å; I145-L148 WeakPolarHBondContact O-CB 3.32Å; I145-L148 WeakPolarHBondContact O-CG 3.22Å; I145-L148 PolarHBondContact O-N 3.21Å
146	S	71.8	Confident	72.5	Confident	64 Å²	64	76.2 Å²	76.2	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-67.5	-18.8	176.8	75.1	0	0	0	0	114	K142 S143 E144 L148 C149	K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.19Å; S143-S146 WeakPolarHBondContact CA-OG 3.25Å; S143-S146 PolarHBondContact O-N 3.22Å; S143-S146 PolarHBondContact O-OG 3.44Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.49Å; S146-L148 PolarHBondContact O-N 3.25Å; S146-C149 PolarHBondContact O-SG 3.41Å; S146-C149 VanDerWaalsContact O-SG 3.36Å
147	S	70.3	Confident	72.1	Confident	95 Å²	95	79.3 Å²	79.3	66%	0.664	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.9	174.8	76.9	0	0	0	0	113.5	S143 E144 I145	S143-S147 PolarHBondContact O-N 3.46Å; E144-S147 WeakPolarHBondContact O-CB 3.43Å; E144-S147 PolarHBondContact O-N 3.12Å; E144-S147 PolarHBondContact O-OG 2.97Å; I145-S147 PolarHBondContact O-N 3.13Å
148	L	68.9	Low	72	Confident	53 Å²	53	74.4 Å²	74.4	28%	0.277	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.6	-175.4	-56	174.9	0	0	0	114.7	F35 V39 L131 I145 S146	F35-L148 HydrophobicContact CE2-CD1 4.01Å; F35-L148 HydrophobicContact CZ-CD1 3.65Å; V39-L148 HydrophobicContact CG2-CD1 4.23Å; L131-L148 HydrophobicContact CB-CD2 4.47Å; L131-L148 HydrophobicContact CD1-CD2 3.37Å; L131-L148 HydrophobicContact CG-CD2 4.47Å; I145-L148 VanDerWaalsContact O-CB 3.32Å; I145-L148 WeakPolarHBondContact O-CB 3.32Å; I145-L148 WeakPolarHBondContact O-CG 3.22Å; I145-L148 PolarHBondContact O-N 3.21Å; S146-L148 PolarHBondContact O-N 3.25Å
149	C	71.3	Confident	71.9	Confident	125 Å²	125	63.2 Å²	63.2	85%	0.845	38%	0.378	S	S	*	.			trans	-84	0	-164.2	-54.9	0	0	0	0	117.3	C43 S146	C43-C149 WeakPolarHBondContact CA-SG 3.29Å; C43-C149 HydrophobicContact CB-CB 3.61Å; C43-C149 WeakPolarHBondContact CB-SG 3.37Å; C43-C149 WeakPolarHBondContact SG-CA 2.97Å; C43-C149 WeakPolarHBondContact SG-CB 3.47Å; C43-C149 CovalentContact SG-SG 2.01Å; C43-C149 PolarHBondContact SG-SG 3.06Å; S146-C149 PolarHBondContact O-SG 3.41Å; S146-C149 VanDerWaalsContact O-SG 3.36Å

Retrieved 149 of 149 residues in 169.3 ms (Link to these results)

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