A0A087XH19_POEFO Loading...

superoxide dismutase

AlphaFold DB , UniProt , Accession A0A087XH19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 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	37.6	Very low	39	Very low	242 Å²	242	174.6 Å²	174.6	100%	1.192	86%	0.861	S	S	*	*				0	91.8	0	-86	-178.6	174.1	0	0	106.8
2	E	34.3	Very low	40.1	Very low	199 Å²	199	175 Å²	175	93%	0.93	86%	0.859	S	S	*	*			trans	-115.3	110.7	174.6	-74.2	173.4	126.6	0	0	106.7
3	R	36.8	Very low	42.1	Very low	240 Å²	240	178.8 Å²	178.8	91%	0.906	86%	0.859	S	S	*	*			trans	-85.8	117.3	179.3	-74.8	-177.6	176.3	179.7	-1.2	108.2
4	K	37	Very low	44.3	Very low	208 Å²	208	168.2 Å²	168.2	90%	0.904	81%	0.811	S	S	*	*			trans	-3.3	112.4	158.4	-62.8	-178.1	173.2	-171.1	0	115.8
5	Q	35.4	Very low	46.6	Very low	202 Å²	202	161.8 Å²	161.8	94%	0.944	79%	0.791	S	S	*	*			trans	-110.8	97.9	154.9	-158.4	101.5	32.2	0	0	106.4
6	G	41.6	Very low	49.2	Very low	67 Å²	67	158.6 Å²	158.6	69%	0.691	79%	0.786	S	S	*	*			trans	-179.2	74.1	-176.1	0	0	0	0	0	110.5
7	E	42	Very low	51.8	Low	189 Å²	189	150.5 Å²	150.5	88%	0.883	75%	0.747	S	S	*	*			trans	175.5	84.8	157.1	-108.1	176.1	163.9	0	0	108
8	V	39	Very low	54.3	Low	143 Å²	143	146.1 Å²	146.1	87%	0.867	73%	0.729	S	S	*	*	S	Bend	trans	-141	98.2	155.3	-169.6	0	0	0	0	107.6
9	D	37.7	Very low	56.6	Low	127 Å²	127	144.5 Å²	144.5	68%	0.679	72%	0.723	S	S	*	*			trans	68.5	64.4	148.4	-143.8	22.9	0	0	0	117.2	L11	D9-L11 VanDerWaalsContact C-N 3.32Å; D9-L11 PolarHBondContact O-N 3.02Å; D9-L11 VanDerWaalsContact O-N 3.14Å
10	H	40.4	Very low	58.6	Low	183 Å²	183	143.4 Å²	143.4	85%	0.847	71%	0.714	S	S	*	*			trans	-64	104.6	140.4	-85.8	-76.4	0	0	0	106.3	E12	H10-E12 VanDerWaalsContact C-N 3.27Å; H10-E12 PolarHBondContact O-N 3.48Å
11	L	47.1	Very low	60.5	Low	121 Å²	121	137.8 Å²	137.8	63%	0.634	69%	0.686	S	S	*	*			trans	-50.8	98.9	165.4	-75.3	159.9	0	0	0	107.5	D9 R13	D9-L11 VanDerWaalsContact C-N 3.32Å; D9-L11 PolarHBondContact O-N 3.02Å; D9-L11 VanDerWaalsContact O-N 3.14Å; L11-R13 PolarHBondContact O-N 2.86Å
12	E	52	Low	63.3	Low	179 Å²	179	129 Å²	129	84%	0.836	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-57.6	117	-176.2	-72.5	-171.1	149.5	0	0	107.5	H10 P14	H10-E12 VanDerWaalsContact C-N 3.27Å; H10-E12 PolarHBondContact O-N 3.48Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å
13	R	65.9	Low	66.4	Low	225 Å²	225	123 Å²	123	85%	0.849	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-52.3	125.6	168.9	-177.1	177.2	-179.5	177.6	0.3	106.5	L11 S15	L11-R13 PolarHBondContact O-N 2.86Å; R13-S15 PolarHBondContact O-N 2.82Å
14	P	73	Confident	69.3	Low	30 Å²	30	112.9 Å²	112.9	20%	0.195	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-50.9	131	-179	-28.7	35.5	0	0	0	110	E12 A154	E12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-A154 HydrophobicContact CB-CB 4.04Å; P14-A154 HydrophobicContact CG-CB 3.97Å; P14-A154 WeakPolarHBondContact CG-O 3.22Å
15	S	79.8	Confident	72.2	Confident	72 Å²	72	103 Å²	103	50%	0.503	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-58.7	138.3	177.4	-56.8	0	0	0	0	109.5	R13	R13-S15 PolarHBondContact O-N 2.82Å
16	P	87.6	Confident	75.3	Confident	111 Å²	111	96.6 Å²	96.6	72%	0.721	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61.7	144.3	179.6	26.6	-33.9	0	0	0	110.5
17	L	94.2	Very high	78	Confident	21 Å²	21	98.4 Å²	98.4	11%	0.11	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-67.2	137.8	172.6	-68.5	167	0	0	0	110	E21 R22 I25 I94 K151 L152	L17-E21 HydrophobicContact CD2-CB 3.95Å; L17-R22 HydrophobicContact CB-CG 4.1Å; L17-R22 HydrophobicContact CD1-CG 4.49Å; L17-R22 PolarHBondContact O-NH1 3.13Å; L17-R22 PolarHBondContact O-NH2 2.95Å; L17-I25 HydrophobicContact CD1-CD1 3.9Å; L17-I25 HydrophobicContact CD2-CD1 3.8Å; L17-I94 HydrophobicContact CD1-CD1 3.5Å; L17-I94 HydrophobicContact CD1-CG1 3.83Å; L17-K151 HydrophobicContact CD2-CB 3.73Å; L17-K151 HydrophobicContact CD2-CD 4.35Å; L17-L152 HydrophobicContact CD1-CB 4.27Å; L17-L152 HydrophobicContact CD1-CD1 4.34Å
18	T	96.7	Very high	80.6	Confident	71 Å²	71	89.6 Å²	89.6	44%	0.436	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-78	164.3	166.6	62.8	0	0	0	0	110.8	K20 E21 R22	T18-K20 VanDerWaalsContact C-N 3.27Å; T18-K20 PolarHBondContact O-N 2.75Å; T18-E21 WeakPolarHBondContact CB-OE2 3.41Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.47Å; T18-E21 PolarHBondContact N-OE2 3.21Å; T18-E21 PolarHBondContact O-N 2.88Å; T18-E21 WeakPolarHBondContact OG1-CB 3.42Å; T18-E21 VanDerWaalsContact OG1-CD 3.28Å; T18-E21 WeakPolarHBondContact OG1-CG 3.45Å; T18-E21 PolarHBondContact OG1-N 3.33Å; T18-E21 PolarHBondContact OG1-OE2 3.34Å; T18-R22 PolarHBondContact O-N 3.33Å
19	D	96.5	Very high	83.5	Confident	115 Å²	115	83 Å²	83	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-59.4	-39.7	174.8	-66.1	-42.9	0	0	0	112.1	E21 R22 V23	D19-E21 VanDerWaalsContact C-N 3.35Å; D19-E21 PolarHBondContact O-N 3.29Å; D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.8Å; D19-R22 IonicContact OD1-NE 3.27Å; D19-R22 PolarHBondContact OD1-NE 3.12Å; D19-R22 IonicContact OD1-NH2 3.6Å; D19-R22 PolarHBondContact OD1-NH2 3.23Å; D19-V23 WeakPolarHBondContact O-CG2 3.47Å; D19-V23 PolarHBondContact O-N 3.37Å
20	K	97.5	Very high	86.4	Confident	122 Å²	122	79.7 Å²	79.7	53%	0.53	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.5	-168.2	-169.1	-173	-156	0	111.4	T18 V23 M24 E144	T18-K20 VanDerWaalsContact C-N 3.27Å; T18-K20 PolarHBondContact O-N 2.75Å; K20-V23 PolarHBondContact O-N 3.43Å; K20-M24 HydrophobicContact CD-CE 3.82Å; K20-M24 HydrophobicContact CG-CE 3.82Å; K20-M24 HydrophobicContact CG-SD 4.49Å; K20-M24 WeakPolarHBondContact O-CG 3.46Å; K20-M24 PolarHBondContact O-N 2.95Å; K20-E144 IonicContact NZ-OE1 3.93Å; K20-E144 PolarHBondContact NZ-OE1 3.43Å; K20-E144 IonicContact NZ-OE2 3.35Å
21	E	98.2	Very high	89.1	Confident	27 Å²	27	76.2 Å²	76.2	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-67.3	-37.5	179.1	-71.6	167.1	143.6	0	0	112	L17 T18 D19 M24 I25 A148 K151	L17-E21 HydrophobicContact CD2-CB 3.95Å; T18-E21 WeakPolarHBondContact CB-OE2 3.41Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.47Å; T18-E21 PolarHBondContact N-OE2 3.21Å; T18-E21 PolarHBondContact O-N 2.88Å; T18-E21 WeakPolarHBondContact OG1-CB 3.42Å; T18-E21 VanDerWaalsContact OG1-CD 3.28Å; T18-E21 WeakPolarHBondContact OG1-CG 3.45Å; T18-E21 PolarHBondContact OG1-N 3.33Å; T18-E21 PolarHBondContact OG1-OE2 3.34Å; D19-E21 VanDerWaalsContact C-N 3.35Å; D19-E21 PolarHBondContact O-N 3.29Å; E21-M24 PolarHBondContact O-N 3.18Å; E21-I25 WeakPolarHBondContact O-CD1 3.45Å; E21-I25 VanDerWaalsContact O-CG1 3.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.44Å; E21-I25 PolarHBondContact O-N 3.25Å; E21-A148 HydrophobicContact CB-CB 3.85Å; E21-A148 HydrophobicContact CG-CB 3.96Å; E21-K151 WeakPolarHBondContact OE1-CD 3.41Å; E21-K151 WeakPolarHBondContact OE1-CE 3.37Å; E21-K151 IonicContact OE1-NZ 2.77Å; E21-K151 PolarHBondContact OE1-NZ 3.17Å; E21-K151 IonicContact OE2-NZ 3.09Å
22	R	97.6	Very high	91.5	Very high	58 Å²	58	70.5 Å²	70.5	22%	0.219	36%	0.361	C	S	.	.	H	α-helix	trans	-58.3	-49.2	173.2	-76.2	-173.9	-89.1	-81.6	-0.1	111.4	L17 T18 D19 M24 I25 Q26 I94	L17-R22 HydrophobicContact CB-CG 4.1Å; L17-R22 HydrophobicContact CD1-CG 4.49Å; L17-R22 PolarHBondContact O-NH1 3.13Å; L17-R22 PolarHBondContact O-NH2 2.95Å; T18-R22 PolarHBondContact O-N 3.33Å; D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.8Å; D19-R22 IonicContact OD1-NE 3.27Å; D19-R22 PolarHBondContact OD1-NE 3.12Å; D19-R22 IonicContact OD1-NH2 3.6Å; D19-R22 PolarHBondContact OD1-NH2 3.23Å; R22-M24 PolarHBondContact O-N 2.82Å; R22-I25 PolarHBondContact O-N 3.39Å; R22-Q26 WeakPolarHBondContact O-CG 3.34Å; R22-Q26 PolarHBondContact O-N 3.06Å; R22-I94 HydrophobicContact CB-CG2 4.05Å; R22-I94 HydrophobicContact CG-CD1 4.34Å; R22-I94 HydrophobicContact CG-CG1 4.3Å; R22-I94 HydrophobicContact CG-CG2 3.82Å
23	V	98.1	Very high	93.6	Very high	71 Å²	71	65.1 Å²	65.1	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-44.2	178.5	173.3	0	0	0	0	111.2	D19 K20 I25 Q26 D27	D19-V23 WeakPolarHBondContact O-CG2 3.47Å; D19-V23 PolarHBondContact O-N 3.37Å; K20-V23 PolarHBondContact O-N 3.43Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.48Å; V23-Q26 PolarHBondContact O-N 3.39Å; V23-D27 WeakPolarHBondContact CG1-OD2 3.35Å; V23-D27 WeakPolarHBondContact O-CB 3.12Å; V23-D27 PolarHBondContact O-N 3.46Å
24	M	98.4	Very high	95	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.143	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-44.4	175.5	-75.7	170	176.3	0	0	112.8	K20 E21 R22 S28 E144 V145	K20-M24 HydrophobicContact CD-CE 3.82Å; K20-M24 HydrophobicContact CG-CE 3.82Å; K20-M24 HydrophobicContact CG-SD 4.49Å; K20-M24 WeakPolarHBondContact O-CG 3.46Å; K20-M24 PolarHBondContact O-N 2.95Å; E21-M24 PolarHBondContact O-N 3.18Å; R22-M24 PolarHBondContact O-N 2.82Å; M24-S28 VanDerWaalsContact O-CB 3.29Å; M24-S28 WeakPolarHBondContact O-CB 3.29Å; M24-S28 PolarHBondContact O-N 3.27Å; M24-S28 PolarHBondContact O-OG 2.65Å; M24-E144 HydrophobicContact CE-CG 3.78Å; M24-E144 WeakPolarHBondContact CE-OE1 3.06Å; M24-E144 WeakPolarHBondContact CE-OE2 3.32Å; M24-E144 HydrophobicContact SD-CG 3.96Å; M24-V145 HydrophobicContact CB-CG2 4.22Å; M24-V145 HydrophobicContact CG-CG2 4.33Å
25	I	98.6	Very high	96	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-47.1	177.6	-68.8	161.1	0	0	0	109.9	L17 E21 R22 V23 S28 W29 V91 I94 A148 W149 L152	L17-I25 HydrophobicContact CD1-CD1 3.9Å; L17-I25 HydrophobicContact CD2-CD1 3.8Å; E21-I25 WeakPolarHBondContact O-CD1 3.45Å; E21-I25 VanDerWaalsContact O-CG1 3.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.44Å; E21-I25 PolarHBondContact O-N 3.25Å; R22-I25 PolarHBondContact O-N 3.39Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.48Å; I25-S28 PolarHBondContact O-OG 3.22Å; I25-S28 VanDerWaalsContact O-OG 3.06Å; I25-W29 WeakPolarHBondContact O-CB 3.39Å; I25-W29 PolarHBondContact O-N 2.84Å; I25-V91 HydrophobicContact CG2-CG1 4.05Å; I25-V91 HydrophobicContact CG2-CG2 3.94Å; I25-I94 HydrophobicContact CB-CD1 4.39Å; I25-I94 HydrophobicContact CD1-CD1 3.86Å; I25-I94 HydrophobicContact CG2-CD1 4.07Å; I25-A148 HydrophobicContact CD1-CB 4.07Å; I25-A148 HydrophobicContact CG1-CB 3.91Å; I25-W149 HydrophobicContact CG2-CH2 4.11Å; I25-W149 HydrophobicContact CG2-CZ2 3.89Å; I25-L152 HydrophobicContact CD1-CB 3.95Å; I25-L152 HydrophobicContact CD1-CD2 4.23Å; I25-L152 HydrophobicContact CG2-CD2 3.74Å
26	Q	98.6	Very high	96.7	Very high	67 Å²	67	62.4 Å²	62.4	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-46.7	-178.8	-72.5	173.4	-33.8	0	0	112.2	R22 V23 W29 A30 V91 I94	R22-Q26 WeakPolarHBondContact O-CG 3.34Å; R22-Q26 PolarHBondContact O-N 3.06Å; V23-Q26 PolarHBondContact O-N 3.39Å; Q26-W29 PolarHBondContact O-N 3.3Å; Q26-A30 WeakPolarHBondContact O-CB 3.25Å; Q26-A30 PolarHBondContact O-N 2.69Å; Q26-V91 HydrophobicContact CB-CG1 4.42Å; Q26-V91 HydrophobicContact CG-CG1 3.85Å; Q26-V91 PolarHBondContact NE2-O 3.47Å; Q26-I94 HydrophobicContact CG-CG2 4.44Å
27	D	98.3	Very high	97.1	Very high	106 Å²	106	61.8 Å²	61.8	57%	0.567	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-43.7	179.6	-74.4	-16.7	0	0	0	111.7	V23	V23-D27 WeakPolarHBondContact CG1-OD2 3.35Å; V23-D27 WeakPolarHBondContact O-CB 3.12Å; V23-D27 PolarHBondContact O-N 3.46Å
28	S	98.3	Very high	97.1	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-43.5	177.3	57.1	0	0	0	0	112	M24 I25 A30 K31 V32 V140 W149	M24-S28 VanDerWaalsContact O-CB 3.29Å; M24-S28 WeakPolarHBondContact O-CB 3.29Å; M24-S28 PolarHBondContact O-N 3.27Å; M24-S28 PolarHBondContact O-OG 2.65Å; I25-S28 PolarHBondContact O-OG 3.22Å; I25-S28 VanDerWaalsContact O-OG 3.06Å; S28-A30 VanDerWaalsContact C-N 3.3Å; S28-A30 PolarHBondContact O-N 3.04Å; S28-K31 WeakPolarHBondContact O-CB 3.34Å; S28-K31 PolarHBondContact O-N 3.35Å; S28-K31 VanDerWaalsContact O-N 3.08Å; S28-V32 PolarHBondContact O-N 3.01Å; S28-V140 VanDerWaalsContact CA-CG1 3.49Å; S28-W149 PolarHBondContact OG-NE1 3.08Å
29	W	98.5	Very high	97.2	Very high	6 Å²	6	62.7 Å²	62.7	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-38.8	176.9	-174.9	-109.6	0	0	0	112.4	I25 Q26 K31 V32 Y33 M84 L87 N88 V91 W149	I25-W29 WeakPolarHBondContact O-CB 3.39Å; I25-W29 PolarHBondContact O-N 2.84Å; Q26-W29 PolarHBondContact O-N 3.3Å; W29-K31 PolarHBondContact O-N 3.06Å; W29-K31 VanDerWaalsContact O-N 3.13Å; W29-V32 HydrophobicContact CE3-CB 4.18Å; W29-V32 HydrophobicContact CE3-CG1 4.14Å; W29-V32 HydrophobicContact CZ3-CG1 3.99Å; W29-V32 PolarHBondContact O-N 2.99Å; W29-V32 VanDerWaalsContact O-N 3.12Å; W29-Y33 AromaticContact CE2-CD2 3.89Å; W29-Y33 AromaticContact CZ2-CD2 3.67Å; W29-Y33 HydrophobicContact CZ2-CD2 3.67Å; W29-Y33 HydrophobicContact CZ2-CE2 4.29Å; W29-Y33 AromaticContact NE1-CD2 3.84Å; W29-Y33 AromaticContact NE1-CG 3.98Å; W29-Y33 WeakPolarHBondContact O-CB 3.42Å; W29-Y33 PolarHBondContact O-N 3.38Å; W29-M84 HydrophobicContact CH2-CE 3.43Å; W29-M84 VanDerWaalsContact CH2-CE 3.43Å; W29-M84 HydrophobicContact CH2-SD 3.95Å; W29-M84 HydrophobicContact CZ2-CE 4.15Å; W29-M84 HydrophobicContact CZ3-CE 3.99Å; W29-L87 HydrophobicContact CH2-CB 3.51Å; W29-L87 HydrophobicContact CH2-CD1 3.86Å; W29-L87 HydrophobicContact CH2-CG 4.34Å; W29-L87 HydrophobicContact CZ2-CB 3.68Å; W29-L87 HydrophobicContact CZ3-CB 4.32Å; W29-L87 HydrophobicContact CZ3-CD1 4.3Å; W29-N88 HydrophobicContact CZ2-CB 4.16Å; W29-N88 PolarHBondContact NE1-OD1 3.32Å; W29-V91 HydrophobicContact CB-CG1 3.79Å; W29-V91 HydrophobicContact CB-CG2 4.41Å; W29-V91 HydrophobicContact CD2-CG2 4.25Å; W29-V91 HydrophobicContact CG-CB 4.14Å; W29-V91 HydrophobicContact CG-CG1 3.84Å; W29-V91 HydrophobicContact CG-CG2 4.03Å; W29-W149 HydrophobicContact CB-CH2 4.29Å; W29-W149 HydrophobicContact CB-CZ2 3.95Å; W29-W149 AromaticContact CD2-CH2 3.98Å; W29-W149 HydrophobicContact CD2-CH2 3.98Å; W29-W149 HydrophobicContact CD2-CZ2 4.38Å; W29-W149 AromaticContact CE3-CH2 3.32Å; W29-W149 HydrophobicContact CE3-CH2 3.32Å; W29-W149 AromaticContact CE3-CZ2 3.74Å; W29-W149 HydrophobicContact CE3-CZ2 3.74Å; W29-W149 HydrophobicContact CE3-CZ3 4.39Å; W29-W149 HydrophobicContact CG-CH2 4.41Å; W29-W149 AromaticContact CZ3-CH2 3.92Å; W29-W149 HydrophobicContact CZ3-CH2 3.92Å
30	A	98.1	Very high	97.3	Very high	56 Å²	56	57.2 Å²	57.2	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-23.5	177	0	0	0	0	0	113.3	Q26 S28 Q34	Q26-A30 WeakPolarHBondContact O-CB 3.25Å; Q26-A30 PolarHBondContact O-N 2.69Å; S28-A30 VanDerWaalsContact C-N 3.3Å; S28-A30 PolarHBondContact O-N 3.04Å; A30-Q34 WeakPolarHBondContact O-CG 3.41Å; A30-Q34 PolarHBondContact O-NE2 2.84Å
31	K	97.8	Very high	97.3	Very high	111 Å²	111	51.6 Å²	51.6	48%	0.483	26%	0.261	S	S	.	.	H	α-helix	trans	-81.2	-47.3	171.7	-59.8	-58.8	-175.1	178	0	111.6	S28 W29 Y33 Q34 V140	S28-K31 WeakPolarHBondContact O-CB 3.34Å; S28-K31 PolarHBondContact O-N 3.35Å; S28-K31 VanDerWaalsContact O-N 3.08Å; W29-K31 PolarHBondContact O-N 3.06Å; W29-K31 VanDerWaalsContact O-N 3.13Å; K31-Y33 VanDerWaalsContact C-N 3.3Å; K31-Y33 PolarHBondContact O-N 3.01Å; K31-Q34 WeakPolarHBondContact O-CB 3.32Å; K31-Q34 PolarHBondContact O-N 3.17Å; K31-V140 HydrophobicContact CB-CG1 4.23Å; K31-V140 HydrophobicContact CB-CG2 4.3Å; K31-V140 HydrophobicContact CG-CG1 4.15Å; K31-V140 HydrophobicContact CG-CG2 4.21Å
32	V	96.9	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-44	177.9	176.4	0	0	0	0	111.2	S28 W29 Q34 N35 A39 M84 L133 Y137	S28-V32 PolarHBondContact O-N 3.01Å; W29-V32 HydrophobicContact CE3-CB 4.18Å; W29-V32 HydrophobicContact CE3-CG1 4.14Å; W29-V32 HydrophobicContact CZ3-CG1 3.99Å; W29-V32 PolarHBondContact O-N 2.99Å; W29-V32 VanDerWaalsContact O-N 3.12Å; V32-Q34 PolarHBondContact O-N 2.79Å; V32-N35 CarbonylContact O-C 3.52Å; V32-N35 PolarHBondContact O-N 2.95Å; V32-N35 VanDerWaalsContact O-N 3.17Å; V32-A39 HydrophobicContact CG1-CB 4.13Å; V32-M84 HydrophobicContact CG1-CE 4.03Å; V32-L133 HydrophobicContact CB-CD2 4.35Å; V32-L133 HydrophobicContact CG1-CD2 3.6Å; V32-L133 HydrophobicContact CG2-CD2 3.77Å; V32-Y137 HydrophobicContact CB-CE2 4.42Å; V32-Y137 HydrophobicContact CG1-CE2 4.21Å; V32-Y137 HydrophobicContact CG2-CD1 4.32Å; V32-Y137 HydrophobicContact CG2-CD2 3.92Å; V32-Y137 HydrophobicContact CG2-CE1 4.39Å; V32-Y137 HydrophobicContact CG2-CE2 4.02Å; V32-Y137 HydrophobicContact CG2-CG 4.09Å
33	Y	96.4	Very high	97.4	Very high	67 Å²	67	49.3 Å²	49.3	26%	0.263	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-70.9	-15.6	-172.6	-159.6	-108.7	0	0	0	113.6	W29 K31 N35 C36 M84 N85 N88	W29-Y33 AromaticContact CE2-CD2 3.89Å; W29-Y33 AromaticContact CZ2-CD2 3.67Å; W29-Y33 HydrophobicContact CZ2-CD2 3.67Å; W29-Y33 HydrophobicContact CZ2-CE2 4.29Å; W29-Y33 AromaticContact NE1-CD2 3.84Å; W29-Y33 AromaticContact NE1-CG 3.98Å; W29-Y33 WeakPolarHBondContact O-CB 3.42Å; W29-Y33 PolarHBondContact O-N 3.38Å; K31-Y33 VanDerWaalsContact C-N 3.3Å; K31-Y33 PolarHBondContact O-N 3.01Å; Y33-N35 PolarHBondContact O-N 3.26Å; Y33-C36 HydrophobicContact CD2-CB 3.52Å; Y33-C36 HydrophobicContact CE2-CB 3.69Å; Y33-C36 HydrophobicContact CG-CB 4.07Å; Y33-C36 WeakPolarHBondContact O-CB 3.49Å; Y33-C36 PolarHBondContact O-N 3.42Å; Y33-M84 HydrophobicContact CE2-CB 4.36Å; Y33-N85 PolarHBondContact OH-OD1 3.24Å; Y33-N88 HydrophobicContact CD2-CB 4.13Å; Y33-N88 HydrophobicContact CE2-CB 3.66Å
34	Q	96.3	Very high	97.4	Very high	135 Å²	135	46 Å²	46	63%	0.631	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-60.6	-33.8	172	-69.4	169.6	34.6	0	0	111.8	A30 K31 V32	A30-Q34 WeakPolarHBondContact O-CG 3.41Å; A30-Q34 PolarHBondContact O-NE2 2.84Å; K31-Q34 WeakPolarHBondContact O-CB 3.32Å; K31-Q34 PolarHBondContact O-N 3.17Å; V32-Q34 PolarHBondContact O-N 2.79Å
35	N	94.6	Very high	97.4	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-115.2	41.8	175.9	-64.9	-25.9	0	0	0	110.7	V32 Y33 E37 E38 A39	V32-N35 CarbonylContact O-C 3.52Å; V32-N35 PolarHBondContact O-N 2.95Å; V32-N35 VanDerWaalsContact O-N 3.17Å; Y33-N35 PolarHBondContact O-N 3.26Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 2.88Å; N35-E38 PolarHBondContact O-N 2.89Å; N35-A39 WeakPolarHBondContact O-CB 3.44Å; N35-A39 PolarHBondContact O-N 2.66Å
36	C	93.9	Very high	97.4	Very high	31 Å²	31	48.9 Å²	48.9	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-34	-170.1	61.9	0	0	0	0	114.2	Y33 G40 M84	Y33-C36 HydrophobicContact CD2-CB 3.52Å; Y33-C36 HydrophobicContact CE2-CB 3.69Å; Y33-C36 HydrophobicContact CG-CB 4.07Å; Y33-C36 WeakPolarHBondContact O-CB 3.49Å; Y33-C36 PolarHBondContact O-N 3.42Å; C36-G40 PolarHBondContact O-N 3.36Å; C36-M84 HydrophobicContact CB-CB 4.32Å; C36-M84 HydrophobicContact CB-CE 4.2Å; C36-M84 WeakPolarHBondContact O-CG 3.44Å
37	E	94.6	Very high	97.4	Very high	99 Å²	99	46.1 Å²	46.1	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-55	178.8	-175.7	171.7	172.7	0	0	111	N35 G40 V41 R77	N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 2.88Å; E37-G40 PolarHBondContact O-N 3.28Å; E37-V41 WeakPolarHBondContact O-CG2 3.49Å; E37-V41 PolarHBondContact O-N 2.82Å; E37-R77 IonicContact OE1-CZ 3.87Å; E37-R77 IonicContact OE1-NH1 2.66Å; E37-R77 PolarHBondContact OE1-NH1 2.91Å
38	E	96.2	Very high	97.4	Very high	103 Å²	103	41.2 Å²	41.2	48%	0.481	21%	0.21	S	C	.	.	H	α-helix	trans	-68.5	-39.4	-177.5	-62.5	-53.8	134	0	0	111.8	N35 G40 V41 A42 R77	N35-E38 PolarHBondContact O-N 2.89Å; E38-G40 VanDerWaalsContact C-N 3.33Å; E38-G40 PolarHBondContact O-N 3.01Å; E38-V41 PolarHBondContact O-N 2.92Å; E38-A42 WeakPolarHBondContact O-CB 3.38Å; E38-A42 PolarHBondContact O-N 3.25Å; E38-R77 IonicContact OE1-CZ 2.64Å; E38-R77 IonicContact OE1-NH1 2.65Å; E38-R77 PolarHBondContact OE1-NH1 3.39Å; E38-R77 IonicContact OE1-NH2 3.56Å; E38-R77 IonicContact OE2-NH2 3.75Å
39	A	97.5	Very high	97.3	Very high	7 Å²	7	44.1 Å²	44.1	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-43.2	173.2	0	0	0	0	0	111.8	V32 N35 A42 I43 M84	V32-A39 HydrophobicContact CG1-CB 4.13Å; N35-A39 WeakPolarHBondContact O-CB 3.44Å; N35-A39 PolarHBondContact O-N 2.66Å; A39-A42 PolarHBondContact O-N 2.84Å; A39-I43 WeakPolarHBondContact O-CD1 3.37Å; A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.39Å; A39-M84 HydrophobicContact CB-CE 3.97Å
40	G	98.2	Very high	97.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-38.7	177.3	0	0	0	0	0	113	C36 E37 E38 L44 A80	C36-G40 PolarHBondContact O-N 3.36Å; E37-G40 PolarHBondContact O-N 3.28Å; E38-G40 VanDerWaalsContact C-N 3.33Å; E38-G40 PolarHBondContact O-N 3.01Å; G40-L44 PolarHBondContact O-N 3.26Å; G40-L44 VanDerWaalsContact O-N 3.11Å; G40-A80 VanDerWaalsContact C-CB 3.43Å; G40-A80 WeakPolarHBondContact O-CB 3.21Å
41	V	98.4	Very high	97.3	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-49.2	175.6	171	0	0	0	0	110.1	E37 E38 I43 L44 V45 E71 L76 R77 A80	E37-V41 WeakPolarHBondContact O-CG2 3.49Å; E37-V41 PolarHBondContact O-N 2.82Å; E38-V41 PolarHBondContact O-N 2.92Å; V41-I43 VanDerWaalsContact C-N 3.31Å; V41-I43 PolarHBondContact O-N 2.95Å; V41-L44 PolarHBondContact O-N 3.48Å; V41-L44 VanDerWaalsContact O-N 3.14Å; V41-V45 HydrophobicContact CG1-CG2 3.89Å; V41-V45 WeakPolarHBondContact O-CB 3.46Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 3.45Å; V41-E71 HydrophobicContact CG1-CB 4.35Å; V41-E71 HydrophobicContact CG1-CG 4.09Å; V41-L76 HydrophobicContact CB-CD2 4.42Å; V41-L76 HydrophobicContact CG1-CD2 4.08Å; V41-L76 HydrophobicContact CG2-CD2 4.14Å; V41-R77 HydrophobicContact CG2-CG 3.89Å; V41-A80 HydrophobicContact CG2-CB 4.1Å
42	A	98.3	Very high	97.2	Very high	35 Å²	35	46.8 Å²	46.8	29%	0.289	24%	0.24	S	C	.	.	H	α-helix	trans	-55.5	-45.2	177.9	0	0	0	0	0	112	E38 A39 R46 V132	E38-A42 WeakPolarHBondContact O-CB 3.38Å; E38-A42 PolarHBondContact O-N 3.25Å; A39-A42 PolarHBondContact O-N 2.84Å; A42-R46 VanDerWaalsContact O-CB 3.3Å; A42-R46 WeakPolarHBondContact O-CB 3.35Å; A42-R46 PolarHBondContact O-N 2.99Å; A42-V132 HydrophobicContact CB-CG1 4.14Å
43	I	98.7	Very high	97.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-50.6	175.6	-70.9	162.7	0	0	0	111.4	A39 V41 L47 M84 L125 V128 I129 V132	A39-I43 WeakPolarHBondContact O-CD1 3.37Å; A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.39Å; V41-I43 VanDerWaalsContact C-N 3.31Å; V41-I43 PolarHBondContact O-N 2.95Å; I43-L47 PolarHBondContact O-N 3.12Å; I43-M84 HydrophobicContact CD1-SD 4.09Å; I43-L125 HydrophobicContact CG2-CD1 3.58Å; I43-V128 HydrophobicContact CG2-CG1 4.35Å; I43-V128 VanDerWaalsContact O-CG1 3.31Å; I43-V128 WeakPolarHBondContact O-CG1 3.48Å; I43-I129 HydrophobicContact CD1-CG1 4.24Å; I43-I129 HydrophobicContact CG2-CG1 3.73Å; I43-V132 HydrophobicContact CG1-CB 3.95Å; I43-V132 HydrophobicContact CG1-CG1 3.83Å; I43-V132 HydrophobicContact CG1-CG2 4.38Å
44	L	98.6	Very high	97.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-71.7	-37.2	-176.4	-72.8	-167.5	0	0	0	112.6	G40 V41 L47 F48 L76 H79 A80 L125	G40-L44 PolarHBondContact O-N 3.26Å; G40-L44 VanDerWaalsContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 3.48Å; V41-L44 VanDerWaalsContact O-N 3.14Å; L44-L47 HydrophobicContact CD2-CD2 4.26Å; L44-L47 WeakPolarHBondContact O-CB 3.37Å; L44-L47 PolarHBondContact O-N 2.94Å; L44-F48 HydrophobicContact CB-CD2 4.2Å; L44-F48 HydrophobicContact CB-CE2 3.88Å; L44-F48 HydrophobicContact CD1-CE2 4.36Å; L44-F48 HydrophobicContact CG-CE2 4.49Å; L44-F48 WeakPolarHBondContact O-CB 3.37Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 VanDerWaalsContact O-CG 3.29Å; L44-F48 WeakPolarHBondContact O-CG 3.4Å; L44-F48 PolarHBondContact O-N 3.45Å; L44-L76 HydrophobicContact CB-CD1 4.48Å; L44-L76 HydrophobicContact CB-CD2 4.38Å; L44-L76 HydrophobicContact CB-CG 4.31Å; L44-L76 HydrophobicContact CD1-CG 4.48Å; L44-H79 HydrophobicContact CD1-CB 4.01Å; L44-A80 HydrophobicContact CD1-CB 3.91Å; L44-A80 HydrophobicContact CG-CB 4.44Å; L44-L125 HydrophobicContact CD2-CD1 4.24Å
45	V	98.4	Very high	97.3	Very high	10 Å²	10	40.9 Å²	40.9	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-48	175.5	170.4	0	0	0	0	110	V41 L47 F48 V49 T67 E71 L76	V41-V45 HydrophobicContact CG1-CG2 3.89Å; V41-V45 WeakPolarHBondContact O-CB 3.46Å; V41-V45 WeakPolarHBondContact O-CG2 3.39Å; V41-V45 PolarHBondContact O-N 3.45Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.21Å; V45-F48 PolarHBondContact O-N 2.88Å; V45-F48 VanDerWaalsContact O-N 3.14Å; V45-V49 HydrophobicContact CG1-CG2 4.2Å; V45-V49 WeakPolarHBondContact O-CB 3.29Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.34Å; V45-T67 HydrophobicContact CG1-CG2 3.53Å; V45-E71 HydrophobicContact CB-CG 4.46Å; V45-E71 HydrophobicContact CG1-CG 4.26Å; V45-E71 HydrophobicContact CG2-CB 4.49Å; V45-E71 HydrophobicContact CG2-CG 3.55Å; V45-L76 HydrophobicContact CG2-CD1 4.13Å; V45-L76 HydrophobicContact CG2-CD2 4.34Å
46	R	98.6	Very high	97.4	Very high	79 Å²	79	41.8 Å²	41.8	30%	0.298	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-43.5	174.9	-174.7	70.2	67.1	113.2	1.1	111.6	A42 N50 V128 E131 V132 E135	A42-R46 VanDerWaalsContact O-CB 3.3Å; A42-R46 WeakPolarHBondContact O-CB 3.35Å; A42-R46 PolarHBondContact O-N 2.99Å; R46-N50 WeakPolarHBondContact CD-ND2 3.41Å; R46-N50 VanDerWaalsContact O-CB 3.29Å; R46-N50 WeakPolarHBondContact O-CB 3.2Å; R46-N50 PolarHBondContact O-N 3.41Å; R46-V128 HydrophobicContact CB-CG1 3.81Å; R46-V128 HydrophobicContact CG-CG1 3.78Å; R46-E131 IonicContact CZ-OE1 3Å; R46-E131 IonicContact NH1-OE1 2.78Å; R46-E131 PolarHBondContact NH1-OE1 2.94Å; R46-V132 HydrophobicContact CB-CG2 4.06Å; R46-V132 HydrophobicContact CG-CG2 4.1Å; R46-E135 IonicContact CZ-OE2 2.82Å; R46-E135 VanDerWaalsContact CZ-OE2 3.28Å; R46-E135 IonicContact NH1-OE1 3.28Å; R46-E135 PolarHBondContact NH1-OE1 2.78Å; R46-E135 IonicContact NH1-OE2 3.78Å; R46-E135 PolarHBondContact NH1-OE2 3.29Å; R46-E135 VanDerWaalsContact NH1-OE2 3.09Å; R46-E135 IonicContact NH2-OE2 3.38Å; R46-E135 PolarHBondContact NH2-OE2 3.02Å
47	L	98.6	Very high	97.5	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-51.1	174.4	170.1	68.3	0	0	0	111.4	I43 L44 V45 F51 I124 L125 V128	I43-L47 PolarHBondContact O-N 3.12Å; L44-L47 HydrophobicContact CD2-CD2 4.26Å; L44-L47 WeakPolarHBondContact O-CB 3.37Å; L44-L47 PolarHBondContact O-N 2.94Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.21Å; L47-F51 HydrophobicContact CD1-CB 4.33Å; L47-F51 HydrophobicContact CD1-CD2 4.02Å; L47-F51 HydrophobicContact CD1-CG 4.46Å; L47-F51 WeakPolarHBondContact O-CA 3.42Å; L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.04Å; L47-I124 HydrophobicContact CD1-CG2 3.64Å; L47-L125 HydrophobicContact CD2-CB 4.45Å; L47-L125 HydrophobicContact CD2-CD1 4.11Å; L47-V128 HydrophobicContact CB-CG1 4.37Å; L47-V128 HydrophobicContact CB-CG2 4.48Å
48	F	98.3	Very high	97.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-74.6	-27.2	-172.6	-69.6	-46.8	0	0	0	113.8	L44 V45 P52 S54 K55 F58 F61 L70 L76	L44-F48 HydrophobicContact CB-CD2 4.2Å; L44-F48 HydrophobicContact CB-CE2 3.88Å; L44-F48 HydrophobicContact CD1-CE2 4.36Å; L44-F48 HydrophobicContact CG-CE2 4.49Å; L44-F48 WeakPolarHBondContact O-CB 3.37Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 VanDerWaalsContact O-CG 3.29Å; L44-F48 WeakPolarHBondContact O-CG 3.4Å; L44-F48 PolarHBondContact O-N 3.45Å; V45-F48 PolarHBondContact O-N 2.88Å; V45-F48 VanDerWaalsContact O-N 3.14Å; F48-P52 WeakPolarHBondContact O-CA 3.18Å; F48-S54 WeakPolarHBondContact CD1-OG 3.39Å; F48-K55 HydrophobicContact CB-CD 4.03Å; F48-K55 HydrophobicContact CB-CG 3.71Å; F48-K55 HydrophobicContact CD1-CB 4.31Å; F48-K55 HydrophobicContact CD1-CG 3.44Å; F48-K55 VanDerWaalsContact CD1-CG 3.44Å; F48-K55 HydrophobicContact CE1-CG 4.31Å; F48-K55 HydrophobicContact CG-CD 4.48Å; F48-K55 HydrophobicContact CG-CG 3.75Å; F48-F58 AromaticContact CE1-CD2 3.78Å; F48-F58 HydrophobicContact CE1-CD2 3.78Å; F48-F58 AromaticContact CE1-CE2 3.6Å; F48-F58 HydrophobicContact CE1-CE2 3.6Å; F48-F58 AromaticContact CZ-CD2 3.74Å; F48-F58 HydrophobicContact CZ-CD2 3.74Å; F48-F58 AromaticContact CZ-CE2 3.45Å; F48-F58 HydrophobicContact CZ-CE2 3.45Å; F48-F58 VanDerWaalsContact CZ-CE2 3.45Å; F48-F58 HydrophobicContact CZ-CG 4.49Å; F48-F58 HydrophobicContact CZ-CZ 4Å; F48-F61 HydrophobicContact CD1-CE2 4.27Å; F48-F61 AromaticContact CD2-CE2 3.85Å; F48-F61 HydrophobicContact CD2-CE2 3.85Å; F48-F61 HydrophobicContact CD2-CZ 4.25Å; F48-F61 HydrophobicContact CE1-CE2 4.06Å; F48-F61 HydrophobicContact CE1-CZ 4.43Å; F48-F61 AromaticContact CE2-CE2 3.58Å; F48-F61 HydrophobicContact CE2-CE2 3.58Å; F48-F61 AromaticContact CE2-CZ 3.55Å; F48-F61 HydrophobicContact CE2-CZ 3.55Å; F48-F61 HydrophobicContact CG-CE2 4.22Å; F48-F61 AromaticContact CZ-CE2 3.72Å; F48-F61 HydrophobicContact CZ-CE2 3.72Å; F48-F61 AromaticContact CZ-CZ 3.69Å; F48-F61 HydrophobicContact CZ-CZ 3.69Å; F48-L70 HydrophobicContact CB-CD2 3.78Å; F48-L76 HydrophobicContact CD2-CD1 3.66Å; F48-L76 HydrophobicContact CE2-CD1 3.84Å; F48-L76 HydrophobicContact CE2-CG 4.29Å
49	V	97.4	Very high	97.7	Very high	65 Å²	65	40 Å²	40	39%	0.394	22%	0.221	S	C	.	.	H	α-helix	trans	-73.9	-49.3	172.7	170.3	0	0	0	0	110.3	V45 T67	V45-V49 HydrophobicContact CG1-CG2 4.2Å; V45-V49 WeakPolarHBondContact O-CB 3.29Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.34Å; V49-T67 HydrophobicContact CG2-CG2 4.35Å
50	N	97.8	Very high	97.7	Very high	80 Å²	80	45.4 Å²	45.4	43%	0.428	24%	0.244	S	C	.	.	H	α-helix	trans	-76.1	-26.2	-176.7	-68.7	-6.1	0	0	0	112.9	R46	R46-N50 WeakPolarHBondContact CD-ND2 3.41Å; R46-N50 VanDerWaalsContact O-CB 3.29Å; R46-N50 WeakPolarHBondContact O-CB 3.2Å; R46-N50 PolarHBondContact O-N 3.41Å
51	F	97.6	Very high	97.6	Very high	75 Å²	75	45.4 Å²	45.4	33%	0.329	24%	0.244	S	C	.	.			trans	-131.2	71.1	-179.3	-54.4	-88.9	0	0	0	111.1	L47 S53 S54 I124 V128	L47-F51 HydrophobicContact CD1-CB 4.33Å; L47-F51 HydrophobicContact CD1-CD2 4.02Å; L47-F51 HydrophobicContact CD1-CG 4.46Å; L47-F51 WeakPolarHBondContact O-CA 3.42Å; L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.04Å; F51-S53 PolarHBondContact O-N 3.34Å; F51-S54 WeakPolarHBondContact O-CB 3.5Å; F51-S54 PolarHBondContact O-N 3.12Å; F51-S54 PolarHBondContact O-OG 3Å; F51-I124 HydrophobicContact CD1-CD1 4.03Å; F51-I124 HydrophobicContact CD1-CG2 3.88Å; F51-I124 HydrophobicContact CD2-CG2 3.4Å; F51-I124 VanDerWaalsContact CD2-CG2 3.4Å; F51-I124 HydrophobicContact CE1-CD1 4.22Å; F51-I124 HydrophobicContact CE1-CG1 4.43Å; F51-I124 HydrophobicContact CE1-CG2 3.83Å; F51-I124 HydrophobicContact CE2-CG2 3.35Å; F51-I124 HydrophobicContact CG-CG2 3.68Å; F51-I124 HydrophobicContact CZ-CG2 3.57Å; F51-V128 HydrophobicContact CE2-CG2 4.15Å
52	P	96.8	Very high	97.5	Very high	73 Å²	73	49.4 Å²	49.4	47%	0.474	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.3	-172.5	-27.2	35.8	0	0	0	115	F48 S54 K55	F48-P52 WeakPolarHBondContact O-CA 3.18Å; P52-S54 PolarHBondContact O-N 3.09Å; P52-K55 VanDerWaalsContact O-CB 3.31Å; P52-K55 WeakPolarHBondContact O-CB 3.33Å; P52-K55 PolarHBondContact O-N 2.82Å
53	S	96.7	Very high	97.4	Very high	57 Å²	57	55 Å²	55	40%	0.399	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25	175.9	59.2	0	0	0	0	113.2	F51 K55 L56 Y121	F51-S53 PolarHBondContact O-N 3.34Å; S53-K55 PolarHBondContact O-N 3.31Å; S53-L56 WeakPolarHBondContact O-CB 3.47Å; S53-L56 VanDerWaalsContact O-CG 3.32Å; S53-L56 WeakPolarHBondContact O-CG 3.46Å; S53-L56 PolarHBondContact O-N 2.95Å; S53-Y121 VanDerWaalsContact CB-OH 3.29Å; S53-Y121 WeakPolarHBondContact CB-OH 3.25Å; S53-Y121 PolarHBondContact OG-OH 2.9Å
54	S	96.8	Very high	97.3	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.028	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66.9	-19.8	174.7	66.4	0	0	0	0	113	F48 F51 P52 L56 Y57 Y121	F48-S54 WeakPolarHBondContact CD1-OG 3.39Å; F51-S54 WeakPolarHBondContact O-CB 3.5Å; F51-S54 PolarHBondContact O-N 3.12Å; F51-S54 PolarHBondContact O-OG 3Å; P52-S54 PolarHBondContact O-N 3.09Å; S54-L56 PolarHBondContact O-N 3.26Å; S54-Y57 WeakPolarHBondContact O-CD2 3.31Å; S54-Y121 VanDerWaalsContact CB-CE1 3.48Å
55	K	97.3	Very high	97	Very high	17 Å²	17	64.1 Å²	64.1	7%	0.074	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-70.1	-18.1	176.4	-63.3	-174.4	-74.8	-168.1	0	113.3	F48 P52 S53 Y57 F58 F61 K62 I64	F48-K55 HydrophobicContact CB-CD 4.03Å; F48-K55 HydrophobicContact CB-CG 3.71Å; F48-K55 HydrophobicContact CD1-CB 4.31Å; F48-K55 HydrophobicContact CD1-CG 3.44Å; F48-K55 VanDerWaalsContact CD1-CG 3.44Å; F48-K55 HydrophobicContact CE1-CG 4.31Å; F48-K55 HydrophobicContact CG-CD 4.48Å; F48-K55 HydrophobicContact CG-CG 3.75Å; P52-K55 VanDerWaalsContact O-CB 3.31Å; P52-K55 WeakPolarHBondContact O-CB 3.33Å; P52-K55 PolarHBondContact O-N 2.82Å; S53-K55 PolarHBondContact O-N 3.31Å; K55-Y57 PolarHBondContact O-N 3.2Å; K55-F58 PolarHBondContact O-N 2.94Å; K55-F61 HydrophobicContact CG-CD2 4.36Å; K55-F61 HydrophobicContact CG-CE2 4.31Å; K55-K62 VanDerWaalsContact O-CB 3.27Å; K55-K62 WeakPolarHBondContact O-CB 3.2Å; K55-I64 PolarHBondContact NZ-O 3.23Å
56	L	96.8	Very high	97	Very high	122 Å²	122	67.7 Å²	67.7	64%	0.639	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-57.6	-25.7	-175.8	-70.3	174.3	0	0	0	113.8	S53 S54 F58	S53-L56 WeakPolarHBondContact O-CB 3.47Å; S53-L56 VanDerWaalsContact O-CG 3.32Å; S53-L56 WeakPolarHBondContact O-CG 3.46Å; S53-L56 PolarHBondContact O-N 2.95Å; S54-L56 PolarHBondContact O-N 3.26Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 3.41Å
57	Y	96.9	Very high	96.9	Very high	80 Å²	80	66.7 Å²	66.7	31%	0.314	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-79.3	-4.6	178.7	-51.8	-70.6	0	0	0	113.9	S54 K55 K116 V117 D118 Y121	S54-Y57 WeakPolarHBondContact O-CD2 3.31Å; K55-Y57 PolarHBondContact O-N 3.2Å; Y57-K116 VanDerWaalsContact CE1-O 3.24Å; Y57-K116 WeakPolarHBondContact CE1-O 3.49Å; Y57-V117 HydrophobicContact CD1-CG2 3.97Å; Y57-V117 HydrophobicContact CD2-CG1 4.36Å; Y57-V117 HydrophobicContact CD2-CG2 4.19Å; Y57-V117 HydrophobicContact CE1-CB 4.5Å; Y57-V117 HydrophobicContact CE1-CG2 4.36Å; Y57-V117 HydrophobicContact CE2-CG1 4.13Å; Y57-V117 HydrophobicContact CG-CG2 3.89Å; Y57-D118 PolarHBondContact OH-N 3.25Å; Y57-Y121 AromaticContact CE2-CD2 3.71Å; Y57-Y121 HydrophobicContact CE2-CD2 3.71Å; Y57-Y121 AromaticContact CE2-CE2 3.51Å; Y57-Y121 HydrophobicContact CE2-CE2 3.51Å; Y57-Y121 AromaticContact CZ-CE2 3.94Å; Y57-Y121 WeakPolarHBondContact OH-CE2 3.43Å
58	F	97.7	Very high	96.7	Very high	30 Å²	30	72.5 Å²	72.5	13%	0.132	37%	0.372	C	S	.	.			trans	-119.2	94.9	-171.3	-62.7	-80.9	0	0	0	112.2	F48 K55 L56 Q60 F61 K62 Q75 H79	F48-F58 AromaticContact CE1-CD2 3.78Å; F48-F58 HydrophobicContact CE1-CD2 3.78Å; F48-F58 AromaticContact CE1-CE2 3.6Å; F48-F58 HydrophobicContact CE1-CE2 3.6Å; F48-F58 AromaticContact CZ-CD2 3.74Å; F48-F58 HydrophobicContact CZ-CD2 3.74Å; F48-F58 AromaticContact CZ-CE2 3.45Å; F48-F58 HydrophobicContact CZ-CE2 3.45Å; F48-F58 VanDerWaalsContact CZ-CE2 3.45Å; F48-F58 HydrophobicContact CZ-CG 4.49Å; F48-F58 HydrophobicContact CZ-CZ 4Å; K55-F58 PolarHBondContact O-N 2.94Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 3.41Å; F58-Q60 PolarHBondContact O-N 3.5Å; F58-Q60 VanDerWaalsContact O-N 3.09Å; F58-F61 HydrophobicContact CB-CD1 3.87Å; F58-F61 HydrophobicContact CB-CD2 3.87Å; F58-F61 HydrophobicContact CB-CE1 3.45Å; F58-F61 VanDerWaalsContact CB-CE1 3.45Å; F58-F61 HydrophobicContact CB-CE2 3.42Å; F58-F61 VanDerWaalsContact CB-CE2 3.42Å; F58-F61 HydrophobicContact CB-CG 4.09Å; F58-F61 HydrophobicContact CB-CZ 3.21Å; F58-F61 AromaticContact CD1-CE1 3.67Å; F58-F61 HydrophobicContact CD1-CE1 3.67Å; F58-F61 HydrophobicContact CD1-CE2 4.37Å; F58-F61 AromaticContact CD1-CZ 3.44Å; F58-F61 HydrophobicContact CD1-CZ 3.44Å; F58-F61 VanDerWaalsContact CD1-CZ 3.44Å; F58-F61 AromaticContact CD2-CE2 3.79Å; F58-F61 HydrophobicContact CD2-CE2 3.79Å; F58-F61 AromaticContact CD2-CZ 3.6Å; F58-F61 HydrophobicContact CD2-CZ 3.6Å; F58-F61 HydrophobicContact CE1-CZ 4.22Å; F58-F61 HydrophobicContact CE2-CZ 4.35Å; F58-F61 AromaticContact CG-CE1 3.63Å; F58-F61 HydrophobicContact CG-CE1 3.63Å; F58-F61 AromaticContact CG-CE2 3.59Å; F58-F61 HydrophobicContact CG-CE2 3.59Å; F58-F61 AromaticContact CG-CZ 3.09Å; F58-F61 HydrophobicContact CG-CZ 3.09Å; F58-F61 PolarHBondContact O-N 2.75Å; F58-K62 VanDerWaalsContact O-CB 3.27Å; F58-K62 WeakPolarHBondContact O-CB 3.4Å; F58-K62 PolarHBondContact O-N 2.99Å; F58-Q75 HydrophobicContact CD1-CG 4.27Å; F58-H79 HydrophobicContact CE1-CB 4.48Å; F58-H79 AromaticContact CE1-CD2 3.21Å; F58-H79 WeakPolarHBondContact CE1-CD2 3.44Å; F58-H79 AromaticContact CE1-NE2 3.93Å; F58-H79 AromaticContact CZ-CD2 3.22Å; F58-H79 WeakPolarHBondContact CZ-CD2 3.41Å; F58-H79 AromaticContact CZ-NE2 3.6Å
59	S	96.4	Very high	96.7	Very high	87 Å²	87	77.7 Å²	77.7	61%	0.608	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.4	-172.5	61.1	0	0	0	0	115.3
60	Q	97.4	Very high	96.6	Very high	119 Å²	119	74.7 Å²	74.7	56%	0.556	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.8	-175.1	-59	-174.4	7	0	0	113.3	F58 S74 Q75	F58-Q60 PolarHBondContact O-N 3.5Å; F58-Q60 VanDerWaalsContact O-N 3.09Å; Q60-S74 PolarHBondContact OE1-OG 3.03Å; Q60-Q75 HydrophobicContact CB-CB 4.01Å; Q60-Q75 VanDerWaalsContact CB-OE1 3.28Å; Q60-Q75 HydrophobicContact CG-CB 4.18Å
61	F	96.6	Very high	96.5	Very high	1 Å²	1	74.3 Å²	74.3	0%	0.004	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	8	-175.4	63.5	-104.1	0	0	0	114.8	F48 K55 F58 H63 I64 L70 S73 Q75 L76	F48-F61 HydrophobicContact CD1-CE2 4.27Å; F48-F61 AromaticContact CD2-CE2 3.85Å; F48-F61 HydrophobicContact CD2-CE2 3.85Å; F48-F61 HydrophobicContact CD2-CZ 4.25Å; F48-F61 HydrophobicContact CE1-CE2 4.06Å; F48-F61 HydrophobicContact CE1-CZ 4.43Å; F48-F61 AromaticContact CE2-CE2 3.58Å; F48-F61 HydrophobicContact CE2-CE2 3.58Å; F48-F61 AromaticContact CE2-CZ 3.55Å; F48-F61 HydrophobicContact CE2-CZ 3.55Å; F48-F61 HydrophobicContact CG-CE2 4.22Å; F48-F61 AromaticContact CZ-CE2 3.72Å; F48-F61 HydrophobicContact CZ-CE2 3.72Å; F48-F61 AromaticContact CZ-CZ 3.69Å; F48-F61 HydrophobicContact CZ-CZ 3.69Å; K55-F61 HydrophobicContact CG-CD2 4.36Å; K55-F61 HydrophobicContact CG-CE2 4.31Å; F58-F61 HydrophobicContact CB-CD1 3.87Å; F58-F61 HydrophobicContact CB-CD2 3.87Å; F58-F61 HydrophobicContact CB-CE1 3.45Å; F58-F61 VanDerWaalsContact CB-CE1 3.45Å; F58-F61 HydrophobicContact CB-CE2 3.42Å; F58-F61 VanDerWaalsContact CB-CE2 3.42Å; F58-F61 HydrophobicContact CB-CG 4.09Å; F58-F61 HydrophobicContact CB-CZ 3.21Å; F58-F61 AromaticContact CD1-CE1 3.67Å; F58-F61 HydrophobicContact CD1-CE1 3.67Å; F58-F61 HydrophobicContact CD1-CE2 4.37Å; F58-F61 AromaticContact CD1-CZ 3.44Å; F58-F61 HydrophobicContact CD1-CZ 3.44Å; F58-F61 VanDerWaalsContact CD1-CZ 3.44Å; F58-F61 AromaticContact CD2-CE2 3.79Å; F58-F61 HydrophobicContact CD2-CE2 3.79Å; F58-F61 AromaticContact CD2-CZ 3.6Å; F58-F61 HydrophobicContact CD2-CZ 3.6Å; F58-F61 HydrophobicContact CE1-CZ 4.22Å; F58-F61 HydrophobicContact CE2-CZ 4.35Å; F58-F61 AromaticContact CG-CE1 3.63Å; F58-F61 HydrophobicContact CG-CE1 3.63Å; F58-F61 AromaticContact CG-CE2 3.59Å; F58-F61 HydrophobicContact CG-CE2 3.59Å; F58-F61 AromaticContact CG-CZ 3.09Å; F58-F61 HydrophobicContact CG-CZ 3.09Å; F58-F61 PolarHBondContact O-N 2.75Å; F61-H63 PolarHBondContact O-N 3.38Å; F61-I64 HydrophobicContact CB-CB 4.39Å; F61-I64 HydrophobicContact CB-CD1 3.6Å; F61-I64 HydrophobicContact CB-CG1 4.11Å; F61-I64 PolarHBondContact O-N 2.98Å; F61-L70 HydrophobicContact CB-CD1 3.95Å; F61-L70 HydrophobicContact CD2-CD1 3.52Å; F61-L70 HydrophobicContact CE2-CD1 4.12Å; F61-L70 HydrophobicContact CG-CD1 3.86Å; F61-S73 WeakPolarHBondContact CD1-OG 3.31Å; F61-Q75 HydrophobicContact CD1-CB 4Å; F61-Q75 HydrophobicContact CD1-CG 4.23Å; F61-Q75 HydrophobicContact CE1-CB 4.03Å; F61-Q75 HydrophobicContact CE1-CG 3.89Å; F61-L76 HydrophobicContact CD1-CB 4.19Å; F61-L76 HydrophobicContact CE1-CB 3.79Å; F61-L76 HydrophobicContact CZ-CB 4.2Å; F61-L76 HydrophobicContact CZ-CD1 4.5Å
62	K	96.4	Very high	96.5	Very high	89 Å²	89	76.5 Å²	76.5	39%	0.387	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.5	179.2	65.2	-178.7	-174.3	177.1	0	115.2	K55 F58	K55-K62 VanDerWaalsContact O-CB 3.27Å; K55-K62 WeakPolarHBondContact O-CB 3.2Å; F58-K62 VanDerWaalsContact O-CB 3.27Å; F58-K62 WeakPolarHBondContact O-CB 3.4Å; F58-K62 PolarHBondContact O-N 2.99Å
63	H	96.1	Very high	96.6	Very high	151 Å²	151	73.7 Å²	73.7	70%	0.699	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-6.3	-179.4	-57.6	-56.5	0	0	0	114	F61 E65	F61-H63 PolarHBondContact O-N 3.38Å; H63-E65 PolarHBondContact O-N 2.88Å
64	I	95.6	Very high	96.6	Very high	19 Å²	19	73.8 Å²	73.8	10%	0.097	37%	0.368	C	S	.	.			trans	-76.1	122.6	-177.9	-61.9	179.7	0	0	0	108.1	K55 F61 D66 E69 L70	K55-I64 PolarHBondContact NZ-O 3.23Å; F61-I64 HydrophobicContact CB-CB 4.39Å; F61-I64 HydrophobicContact CB-CD1 3.6Å; F61-I64 HydrophobicContact CB-CG1 4.11Å; F61-I64 PolarHBondContact O-N 2.98Å; I64-D66 VanDerWaalsContact CG2-O 3.32Å; I64-D66 WeakPolarHBondContact CG2-O 3.38Å; I64-E69 HydrophobicContact CD1-CG 4.05Å; I64-E69 WeakPolarHBondContact CD1-OE1 3.42Å; I64-E69 HydrophobicContact CG2-CB 3.79Å; I64-E69 HydrophobicContact CG2-CG 4.02Å; I64-L70 HydrophobicContact CG2-CB 3.99Å
65	E	94.1	Very high	96.7	Very high	176 Å²	176	75.8 Å²	75.8	82%	0.822	38%	0.377	S	S	*	.			trans	-103.6	-27.8	175.2	-65.4	-174.7	173.5	0	0	112.2	H63	H63-E65 PolarHBondContact O-N 2.88Å
66	D	96.9	Very high	96.7	Very high	86 Å²	86	75 Å²	75	46%	0.46	37%	0.373	S	S	.	.			trans	-70.5	127.9	177.1	-177.2	-100.3	0	0	0	111.2	I64 E68 E69 L70	I64-D66 VanDerWaalsContact CG2-O 3.32Å; I64-D66 WeakPolarHBondContact CG2-O 3.38Å; D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 3.41Å; D66-E68 VanDerWaalsContact OD1-N 3.14Å; D66-E69 HydrophobicContact CB-CB 4.07Å; D66-E69 PolarHBondContact OD1-N 2.89Å; D66-L70 WeakPolarHBondContact O-CB 3.42Å; D66-L70 PolarHBondContact O-N 2.9Å; D66-L70 VanDerWaalsContact O-N 3.08Å
67	T	96.2	Very high	96.8	Very high	58 Å²	58	72 Å²	72	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-39.7	-176.1	-54.4	0	0	0	0	111.7	V45 V49 L70 E71	V45-T67 HydrophobicContact CG1-CG2 3.53Å; V49-T67 HydrophobicContact CG2-CG2 4.35Å; T67-L70 WeakPolarHBondContact O-CB 3.36Å; T67-L70 PolarHBondContact O-N 3.07Å; T67-E71 WeakPolarHBondContact O-CG 3.29Å; T67-E71 PolarHBondContact O-N 3.42Å
68	E	95.8	Very high	96.9	Very high	131 Å²	131	74 Å²	74	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-67.1	-44.5	-179.3	-175	179.4	-179.1	0	0	110.3	D66 L70 E71 H72	D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 3.41Å; D66-E68 VanDerWaalsContact OD1-N 3.14Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 2.92Å; E68-E71 PolarHBondContact O-N 2.64Å; E68-H72 PolarHBondContact O-N 3.16Å; E68-H72 PolarHBondContact O-ND1 3.16Å
69	E	96.9	Very high	96.9	Very high	112 Å²	112	74.3 Å²	74.3	52%	0.523	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-39	174.4	-166.1	-169.1	164.5	0	0	111.6	I64 D66 H72 S73	I64-E69 HydrophobicContact CD1-CG 4.05Å; I64-E69 WeakPolarHBondContact CD1-OE1 3.42Å; I64-E69 HydrophobicContact CG2-CB 3.79Å; I64-E69 HydrophobicContact CG2-CG 4.02Å; D66-E69 HydrophobicContact CB-CB 4.07Å; D66-E69 PolarHBondContact OD1-N 2.89Å; E69-H72 PolarHBondContact O-N 3.02Å; E69-S73 PolarHBondContact O-N 2.81Å
70	L	96.2	Very high	97	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-44.1	179	-175	61	0	0	0	111.9	F48 F61 I64 D66 T67 E68 H72 S73 L76	F48-L70 HydrophobicContact CB-CD2 3.78Å; F61-L70 HydrophobicContact CB-CD1 3.95Å; F61-L70 HydrophobicContact CD2-CD1 3.52Å; F61-L70 HydrophobicContact CE2-CD1 4.12Å; F61-L70 HydrophobicContact CG-CD1 3.86Å; I64-L70 HydrophobicContact CG2-CB 3.99Å; D66-L70 WeakPolarHBondContact O-CB 3.42Å; D66-L70 PolarHBondContact O-N 2.9Å; D66-L70 VanDerWaalsContact O-N 3.08Å; T67-L70 WeakPolarHBondContact O-CB 3.36Å; T67-L70 PolarHBondContact O-N 3.07Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 2.92Å; L70-H72 PolarHBondContact O-N 3.13Å; L70-S73 VanDerWaalsContact O-CB 3.22Å; L70-S73 WeakPolarHBondContact O-CB 3.48Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-S73 VanDerWaalsContact O-N 3.08Å; L70-L76 HydrophobicContact CD1-CD1 3.6Å; L70-L76 HydrophobicContact CD2-CD1 4.38Å; L70-L76 HydrophobicContact CG-CD1 3.6Å
71	E	96.5	Very high	97	Very high	72 Å²	72	69.7 Å²	69.7	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-32.5	175.7	-78.9	170.4	-168.7	0	0	113.3	V41 V45 T67 E68 R77	V41-E71 HydrophobicContact CG1-CB 4.35Å; V41-E71 HydrophobicContact CG1-CG 4.09Å; V45-E71 HydrophobicContact CB-CG 4.46Å; V45-E71 HydrophobicContact CG1-CG 4.26Å; V45-E71 HydrophobicContact CG2-CB 4.49Å; V45-E71 HydrophobicContact CG2-CG 3.55Å; T67-E71 WeakPolarHBondContact O-CG 3.29Å; T67-E71 PolarHBondContact O-N 3.42Å; E68-E71 PolarHBondContact O-N 2.64Å; E71-R77 PolarHBondContact O-NE 3.17Å
72	H	96.3	Very high	97.1	Very high	120 Å²	120	78 Å²	78	56%	0.556	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.2	179.6	-65.5	95	0	0	0	113.5	E68 E69 L70 S74	E68-H72 PolarHBondContact O-N 3.16Å; E68-H72 PolarHBondContact O-ND1 3.16Å; E69-H72 PolarHBondContact O-N 3.02Å; L70-H72 PolarHBondContact O-N 3.13Å; H72-S74 PolarHBondContact O-N 3.38Å
73	S	98.1	Very high	97.2	Very high	14 Å²	14	74.8 Å²	74.8	10%	0.098	35%	0.354	C	S	.	.			trans	-63.2	120.3	178.2	176.8	0	0	0	0	112	F61 E69 L70 Q75 L76 R77	F61-S73 WeakPolarHBondContact CD1-OG 3.31Å; E69-S73 PolarHBondContact O-N 2.81Å; L70-S73 VanDerWaalsContact O-CB 3.22Å; L70-S73 WeakPolarHBondContact O-CB 3.48Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-S73 VanDerWaalsContact O-N 3.08Å; S73-Q75 PolarHBondContact O-N 3.49Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 3.3Å; S73-R77 PolarHBondContact O-N 3.15Å
74	S	97.8	Very high	97.3	Very high	60 Å²	60	67.6 Å²	67.6	42%	0.42	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-32.3	179.9	79.9	0	0	0	0	113.2	Q60 H72 K78	Q60-S74 PolarHBondContact OE1-OG 3.03Å; H72-S74 PolarHBondContact O-N 3.38Å; S74-K78 WeakPolarHBondContact O-CB 3.47Å; S74-K78 WeakPolarHBondContact O-CD 3.5Å; S74-K78 WeakPolarHBondContact O-CG 3.37Å; S74-K78 PolarHBondContact O-N 3.18Å; S74-K78 VanDerWaalsContact O-N 3.16Å
75	Q	98.3	Very high	97.4	Very high	45 Å²	45	69.7 Å²	69.7	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-71.3	-38.1	176.1	-178.2	176	53.8	0	0	111.1	F58 Q60 F61 S73 H79	F58-Q75 HydrophobicContact CD1-CG 4.27Å; Q60-Q75 HydrophobicContact CB-CB 4.01Å; Q60-Q75 VanDerWaalsContact CB-OE1 3.28Å; Q60-Q75 HydrophobicContact CG-CB 4.18Å; F61-Q75 HydrophobicContact CD1-CB 4Å; F61-Q75 HydrophobicContact CD1-CG 4.23Å; F61-Q75 HydrophobicContact CE1-CB 4.03Å; F61-Q75 HydrophobicContact CE1-CG 3.89Å; S73-Q75 PolarHBondContact O-N 3.49Å; Q75-H79 PolarHBondContact O-N 3Å; Q75-H79 VanDerWaalsContact O-N 3.1Å
76	L	98.4	Very high	97.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-53.4	176.1	-176.1	149.6	0	0	0	110.5	V41 L44 V45 F48 F61 L70 S73 K78 H79 A80	V41-L76 HydrophobicContact CB-CD2 4.42Å; V41-L76 HydrophobicContact CG1-CD2 4.08Å; V41-L76 HydrophobicContact CG2-CD2 4.14Å; L44-L76 HydrophobicContact CB-CD1 4.48Å; L44-L76 HydrophobicContact CB-CD2 4.38Å; L44-L76 HydrophobicContact CB-CG 4.31Å; L44-L76 HydrophobicContact CD1-CG 4.48Å; V45-L76 HydrophobicContact CG2-CD1 4.13Å; V45-L76 HydrophobicContact CG2-CD2 4.34Å; F48-L76 HydrophobicContact CD2-CD1 3.66Å; F48-L76 HydrophobicContact CE2-CD1 3.84Å; F48-L76 HydrophobicContact CE2-CG 4.29Å; F61-L76 HydrophobicContact CD1-CB 4.19Å; F61-L76 HydrophobicContact CE1-CB 3.79Å; F61-L76 HydrophobicContact CZ-CB 4.2Å; F61-L76 HydrophobicContact CZ-CD1 4.5Å; L70-L76 HydrophobicContact CD1-CD1 3.6Å; L70-L76 HydrophobicContact CD2-CD1 4.38Å; L70-L76 HydrophobicContact CG-CD1 3.6Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 3.3Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.02Å; L76-H79 CarbonylContact O-C 3.56Å; L76-H79 WeakPolarHBondContact O-CA 3.46Å; L76-H79 WeakPolarHBondContact O-CB 3.28Å; L76-H79 PolarHBondContact O-N 2.99Å; L76-A80 PolarHBondContact O-N 3.34Å
77	R	98.2	Very high	97.6	Very high	59 Å²	59	59.3 Å²	59.3	22%	0.223	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-42.3	-179.5	-71.2	-167	164.8	-104.9	-5.4	112.7	E37 E38 V41 E71 S73 H79 A80 Q81	E37-R77 IonicContact OE1-CZ 3.87Å; E37-R77 IonicContact OE1-NH1 2.66Å; E37-R77 PolarHBondContact OE1-NH1 2.91Å; E38-R77 IonicContact OE1-CZ 2.64Å; E38-R77 IonicContact OE1-NH1 2.65Å; E38-R77 PolarHBondContact OE1-NH1 3.39Å; E38-R77 IonicContact OE1-NH2 3.56Å; E38-R77 IonicContact OE2-NH2 3.75Å; V41-R77 HydrophobicContact CG2-CG 3.89Å; E71-R77 PolarHBondContact O-NE 3.17Å; S73-R77 PolarHBondContact O-N 3.15Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 2.67Å; R77-A80 WeakPolarHBondContact O-CB 3.4Å; R77-A80 PolarHBondContact O-N 2.81Å; R77-Q81 PolarHBondContact O-N 3.3Å
78	K	98.4	Very high	97.7	Very high	124 Å²	124	57.4 Å²	57.4	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-36.6	173.7	-74.8	171.1	-173.8	168.3	0	112.5	S74 L76 R82	S74-K78 WeakPolarHBondContact O-CB 3.47Å; S74-K78 WeakPolarHBondContact O-CD 3.5Å; S74-K78 WeakPolarHBondContact O-CG 3.37Å; S74-K78 PolarHBondContact O-N 3.18Å; S74-K78 VanDerWaalsContact O-N 3.16Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.02Å; K78-R82 WeakPolarHBondContact O-CG 3.36Å; K78-R82 PolarHBondContact O-N 3.45Å
79	H	98.3	Very high	97.8	Very high	35 Å²	35	53.3 Å²	53.3	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-73.7	-42	177	-167.6	6.2	0	0	0	112.1	L44 F58 Q75 L76 R77 Q81 R82 V83	L44-H79 HydrophobicContact CD1-CB 4.01Å; F58-H79 HydrophobicContact CE1-CB 4.48Å; F58-H79 AromaticContact CE1-CD2 3.21Å; F58-H79 WeakPolarHBondContact CE1-CD2 3.44Å; F58-H79 AromaticContact CE1-NE2 3.93Å; F58-H79 AromaticContact CZ-CD2 3.22Å; F58-H79 WeakPolarHBondContact CZ-CD2 3.41Å; F58-H79 AromaticContact CZ-NE2 3.6Å; Q75-H79 PolarHBondContact O-N 3Å; Q75-H79 VanDerWaalsContact O-N 3.1Å; L76-H79 CarbonylContact O-C 3.56Å; L76-H79 WeakPolarHBondContact O-CA 3.46Å; L76-H79 WeakPolarHBondContact O-CB 3.28Å; L76-H79 PolarHBondContact O-N 2.99Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 2.67Å; H79-Q81 VanDerWaalsContact C-N 3.29Å; H79-Q81 PolarHBondContact O-N 3.31Å; H79-R82 WeakPolarHBondContact O-CA 3.21Å; H79-R82 WeakPolarHBondContact O-CB 3.3Å; H79-R82 PolarHBondContact O-N 3.38Å; H79-V83 VanDerWaalsContact CE1-CG2 3.5Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.34Å; H79-V83 PolarHBondContact O-N 2.96Å
80	A	98.4	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-51.3	-51.4	174	0	0	0	0	0	110.3	G40 V41 L44 L76 R77 R82 V83 M84	G40-A80 VanDerWaalsContact C-CB 3.43Å; G40-A80 WeakPolarHBondContact O-CB 3.21Å; V41-A80 HydrophobicContact CG2-CB 4.1Å; L44-A80 HydrophobicContact CD1-CB 3.91Å; L44-A80 HydrophobicContact CG-CB 4.44Å; L76-A80 PolarHBondContact O-N 3.34Å; R77-A80 WeakPolarHBondContact O-CB 3.4Å; R77-A80 PolarHBondContact O-N 2.81Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.04Å; A80-V83 PolarHBondContact O-N 3.13Å; A80-V83 VanDerWaalsContact O-N 3.13Å; A80-M84 VanDerWaalsContact O-CG 3.31Å; A80-M84 WeakPolarHBondContact O-CG 3.36Å; A80-M84 PolarHBondContact O-N 3.31Å
81	Q	98.1	Very high	97.9	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-41.3	176.4	-170	179.5	46.1	0	0	112.9	R77 H79 M84 N85	R77-Q81 PolarHBondContact O-N 3.3Å; H79-Q81 VanDerWaalsContact C-N 3.29Å; H79-Q81 PolarHBondContact O-N 3.31Å; Q81-M84 PolarHBondContact O-N 3.16Å; Q81-N85 WeakPolarHBondContact O-CB 3.3Å; Q81-N85 PolarHBondContact O-N 3.28Å; Q81-N85 PolarHBondContact O-ND2 3.37Å; Q81-N85 PolarHBondContact O-OD1 2.95Å
82	R	98.1	Very high	98	Very high	176 Å²	176	50.7 Å²	50.7	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-65.8	-39.9	177.3	-72.5	172.1	178.6	170.4	1	112.7	K78 H79 A80 A86	K78-R82 WeakPolarHBondContact O-CG 3.36Å; K78-R82 PolarHBondContact O-N 3.45Å; H79-R82 WeakPolarHBondContact O-CA 3.21Å; H79-R82 WeakPolarHBondContact O-CB 3.3Å; H79-R82 PolarHBondContact O-N 3.38Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.04Å; R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.93Å
83	V	98	Very high	98	Very high	21 Å²	21	47 Å²	47	13%	0.127	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-49.7	176.2	171.7	0	0	0	0	109.5	H79 A80 N85 A86 L87	H79-V83 VanDerWaalsContact CE1-CG2 3.5Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.34Å; H79-V83 PolarHBondContact O-N 2.96Å; A80-V83 PolarHBondContact O-N 3.13Å; A80-V83 VanDerWaalsContact O-N 3.13Å; V83-N85 VanDerWaalsContact C-N 3.33Å; V83-N85 PolarHBondContact O-N 3.01Å; V83-A86 PolarHBondContact O-N 3.19Å; V83-L87 HydrophobicContact CG1-CD1 4.04Å; V83-L87 WeakPolarHBondContact O-CG 3.28Å; V83-L87 PolarHBondContact O-N 3.03Å
84	M	98.4	Very high	97.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-39.7	-179.7	-62.8	-58.4	-72.9	0	0	112.1	W29 V32 Y33 C36 A39 I43 A80 Q81 L87 N88	W29-M84 HydrophobicContact CH2-CE 3.43Å; W29-M84 VanDerWaalsContact CH2-CE 3.43Å; W29-M84 HydrophobicContact CH2-SD 3.95Å; W29-M84 HydrophobicContact CZ2-CE 4.15Å; W29-M84 HydrophobicContact CZ3-CE 3.99Å; V32-M84 HydrophobicContact CG1-CE 4.03Å; Y33-M84 HydrophobicContact CE2-CB 4.36Å; C36-M84 HydrophobicContact CB-CB 4.32Å; C36-M84 HydrophobicContact CB-CE 4.2Å; C36-M84 WeakPolarHBondContact O-CG 3.44Å; A39-M84 HydrophobicContact CB-CE 3.97Å; I43-M84 HydrophobicContact CD1-SD 4.09Å; A80-M84 VanDerWaalsContact O-CG 3.31Å; A80-M84 WeakPolarHBondContact O-CG 3.36Å; A80-M84 PolarHBondContact O-N 3.31Å; Q81-M84 PolarHBondContact O-N 3.16Å; M84-L87 PolarHBondContact O-N 2.91Å; M84-L87 HydrophobicContact SD-CD1 4.42Å; M84-N88 WeakPolarHBondContact O-CB 3.46Å; M84-N88 PolarHBondContact O-N 2.94Å
85	N	98.1	Very high	97.6	Very high	63 Å²	63	50 Å²	50	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-35.7	176.4	-69.7	-10.1	0	0	0	113.1	Y33 Q81 V83 N88 T89	Y33-N85 PolarHBondContact OH-OD1 3.24Å; Q81-N85 WeakPolarHBondContact O-CB 3.3Å; Q81-N85 PolarHBondContact O-N 3.28Å; Q81-N85 PolarHBondContact O-ND2 3.37Å; Q81-N85 PolarHBondContact O-OD1 2.95Å; V83-N85 VanDerWaalsContact C-N 3.33Å; V83-N85 PolarHBondContact O-N 3.01Å; N85-N88 PolarHBondContact O-N 3.28Å; N85-T89 PolarHBondContact O-N 3.46Å; N85-T89 PolarHBondContact O-OG1 3.39Å
86	A	97.6	Very high	97.5	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-44.3	175	0	0	0	0	0	111.1	R82 V83 N88 T89 L90	R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.93Å; V83-A86 PolarHBondContact O-N 3.19Å; A86-N88 VanDerWaalsContact C-N 3.34Å; A86-T89 PolarHBondContact O-N 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.24Å; A86-L90 PolarHBondContact O-N 3.05Å
87	L	97.9	Very high	97.2	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-43.5	172.7	-71.1	173	0	0	0	111.4	W29 V83 M84 T89 L90 V91 I129	W29-L87 HydrophobicContact CH2-CB 3.51Å; W29-L87 HydrophobicContact CH2-CD1 3.86Å; W29-L87 HydrophobicContact CH2-CG 4.34Å; W29-L87 HydrophobicContact CZ2-CB 3.68Å; W29-L87 HydrophobicContact CZ3-CB 4.32Å; W29-L87 HydrophobicContact CZ3-CD1 4.3Å; V83-L87 HydrophobicContact CG1-CD1 4.04Å; V83-L87 WeakPolarHBondContact O-CG 3.28Å; V83-L87 PolarHBondContact O-N 3.03Å; M84-L87 PolarHBondContact O-N 2.91Å; M84-L87 HydrophobicContact SD-CD1 4.42Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.11Å; L87-L90 WeakPolarHBondContact O-CB 3.47Å; L87-L90 PolarHBondContact O-N 2.96Å; L87-L90 VanDerWaalsContact O-N 3.12Å; L87-V91 WeakPolarHBondContact O-CG2 3.34Å; L87-V91 PolarHBondContact O-N 3.47Å; L87-I129 HydrophobicContact CD1-CD1 4.06Å
88	N	98.4	Very high	97	Very high	19 Å²	19	60.4 Å²	60.4	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-47.5	176.6	-169.6	69.2	0	0	0	111.9	W29 Y33 M84 N85 A86 L90 V91 E92	W29-N88 HydrophobicContact CZ2-CB 4.16Å; W29-N88 PolarHBondContact NE1-OD1 3.32Å; Y33-N88 HydrophobicContact CD2-CB 4.13Å; Y33-N88 HydrophobicContact CE2-CB 3.66Å; M84-N88 WeakPolarHBondContact O-CB 3.46Å; M84-N88 PolarHBondContact O-N 2.94Å; N85-N88 PolarHBondContact O-N 3.28Å; A86-N88 VanDerWaalsContact C-N 3.34Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 3Å; N88-V91 PolarHBondContact O-N 2.74Å; N88-E92 PolarHBondContact ND2-OE1 3.31Å; N88-E92 PolarHBondContact ND2-OE2 3.33Å; N88-E92 WeakPolarHBondContact O-CB 3.44Å; N88-E92 WeakPolarHBondContact O-CG 3.48Å; N88-E92 PolarHBondContact O-N 3.14Å
89	T	97.9	Very high	96.9	Very high	45 Å²	45	58.7 Å²	58.7	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-40.2	177.3	-52.8	0	0	0	0	111.4	N85 A86 L87 N93 V103	N85-T89 PolarHBondContact O-N 3.46Å; N85-T89 PolarHBondContact O-OG1 3.39Å; A86-T89 PolarHBondContact O-N 3.26Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.11Å; T89-N93 WeakPolarHBondContact O-CB 3.4Å; T89-N93 PolarHBondContact O-N 2.87Å; T89-N93 PolarHBondContact O-ND2 2.91Å; T89-V103 HydrophobicContact CG2-CG2 3.78Å
90	L	97.4	Very high	96.8	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-42.4	177.2	-72.6	168.2	0	0	0	112.2	A86 L87 N88 N93 I94 V100 V103 L104 V156	A86-L90 WeakPolarHBondContact O-CG 3.24Å; A86-L90 PolarHBondContact O-N 3.05Å; L87-L90 WeakPolarHBondContact O-CB 3.47Å; L87-L90 PolarHBondContact O-N 2.96Å; L87-L90 VanDerWaalsContact O-N 3.12Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 3Å; L90-N93 CarbonylContact O-C 3.53Å; L90-I94 WeakPolarHBondContact O-CA 3.37Å; L90-I94 PolarHBondContact O-N 2.9Å; L90-I94 VanDerWaalsContact O-N 3.12Å; L90-V100 HydrophobicContact CD2-CB 4.4Å; L90-V100 HydrophobicContact CD2-CG1 3.99Å; L90-V100 HydrophobicContact CD2-CG2 4.34Å; L90-V103 HydrophobicContact CD2-CB 4Å; L90-V103 HydrophobicContact CD2-CG1 3.86Å; L90-V103 HydrophobicContact CG-CG1 3.95Å; L90-L104 HydrophobicContact CD1-CD2 4.16Å; L90-L104 HydrophobicContact CD2-CD2 4.07Å; L90-L104 HydrophobicContact CD2-CG 4.27Å; L90-V156 HydrophobicContact CD1-CG2 4.02Å
91	V	98	Very high	96.7	Very high	4 Å²	4	61 Å²	61	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-70.6	-41.4	-179.4	171.9	0	0	0	0	111.8	I25 Q26 W29 L87 N88 N93 I94 W149 L152	I25-V91 HydrophobicContact CG2-CG1 4.05Å; I25-V91 HydrophobicContact CG2-CG2 3.94Å; Q26-V91 HydrophobicContact CB-CG1 4.42Å; Q26-V91 HydrophobicContact CG-CG1 3.85Å; Q26-V91 PolarHBondContact NE2-O 3.47Å; W29-V91 HydrophobicContact CB-CG1 3.79Å; W29-V91 HydrophobicContact CB-CG2 4.41Å; W29-V91 HydrophobicContact CD2-CG2 4.25Å; W29-V91 HydrophobicContact CG-CB 4.14Å; W29-V91 HydrophobicContact CG-CG1 3.84Å; W29-V91 HydrophobicContact CG-CG2 4.03Å; L87-V91 WeakPolarHBondContact O-CG2 3.34Å; L87-V91 PolarHBondContact O-N 3.47Å; N88-V91 PolarHBondContact O-N 2.74Å; V91-N93 PolarHBondContact O-N 3.04Å; V91-I94 WeakPolarHBondContact O-CB 3.47Å; V91-I94 WeakPolarHBondContact O-CG2 3.43Å; V91-I94 PolarHBondContact O-N 2.82Å; V91-W149 HydrophobicContact CG2-CH2 3.98Å; V91-L152 HydrophobicContact CG2-CD2 4.18Å
92	E	97.4	Very high	96.6	Very high	116 Å²	116	58.8 Å²	58.8	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-28.4	177.4	-76.4	178.7	171.9	0	0	112.9	N88	N88-E92 PolarHBondContact ND2-OE1 3.31Å; N88-E92 PolarHBondContact ND2-OE2 3.33Å; N88-E92 WeakPolarHBondContact O-CB 3.44Å; N88-E92 WeakPolarHBondContact O-CG 3.48Å; N88-E92 PolarHBondContact O-N 3.14Å
93	N	97.2	Very high	96.6	Very high	42 Å²	42	51.2 Å²	51.2	23%	0.225	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	26.3	-175.6	-60.2	-96.4	0	0	0	111.7	T89 L90 V91 D95 D96 K99 V100	T89-N93 WeakPolarHBondContact O-CB 3.4Å; T89-N93 PolarHBondContact O-N 2.87Å; T89-N93 PolarHBondContact O-ND2 2.91Å; L90-N93 CarbonylContact O-C 3.53Å; V91-N93 PolarHBondContact O-N 3.04Å; N93-D95 PolarHBondContact O-N 2.97Å; N93-D95 VanDerWaalsContact O-N 3.09Å; N93-D96 HydrophobicContact CB-CB 4.37Å; N93-D96 PolarHBondContact O-N 3.41Å; N93-K99 HydrophobicContact CB-CB 4.1Å; N93-K99 HydrophobicContact CB-CG 3.65Å; N93-V100 VanDerWaalsContact O-CG2 3.29Å; N93-V100 WeakPolarHBondContact O-CG2 3.26Å
94	I	95.2	Very high	96.6	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.097	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	-171.8	-161.4	168	0	0	0	113.7	L17 R22 I25 Q26 L90 V91 L152	L17-I94 HydrophobicContact CD1-CD1 3.5Å; L17-I94 HydrophobicContact CD1-CG1 3.83Å; R22-I94 HydrophobicContact CB-CG2 4.05Å; R22-I94 HydrophobicContact CG-CD1 4.34Å; R22-I94 HydrophobicContact CG-CG1 4.3Å; R22-I94 HydrophobicContact CG-CG2 3.82Å; I25-I94 HydrophobicContact CB-CD1 4.39Å; I25-I94 HydrophobicContact CD1-CD1 3.86Å; I25-I94 HydrophobicContact CG2-CD1 4.07Å; Q26-I94 HydrophobicContact CG-CG2 4.44Å; L90-I94 WeakPolarHBondContact O-CA 3.37Å; L90-I94 PolarHBondContact O-N 2.9Å; L90-I94 VanDerWaalsContact O-N 3.12Å; V91-I94 WeakPolarHBondContact O-CB 3.47Å; V91-I94 WeakPolarHBondContact O-CG2 3.43Å; V91-I94 PolarHBondContact O-N 2.82Å; I94-L152 HydrophobicContact CD1-CD1 4.04Å; I94-L152 HydrophobicContact CD1-CD2 4.1Å; I94-L152 HydrophobicContact CG1-CD1 4.36Å
95	D	93	Very high	96.6	Very high	120 Å²	120	55 Å²	55	64%	0.642	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-21	174.1	62.1	-33.4	0	0	0	113.6	N93 S97	N93-D95 PolarHBondContact O-N 2.97Å; N93-D95 VanDerWaalsContact O-N 3.09Å; D95-S97 PolarHBondContact O-N 3.21Å
96	D	94.9	Very high	96.6	Very high	68 Å²	68	58.3 Å²	58.3	36%	0.364	32%	0.321	S	S	.	.			trans	-90.5	92.9	175.7	-175.6	-17.6	0	0	0	111	N93 E98 K99 V100	N93-D96 HydrophobicContact CB-CB 4.37Å; N93-D96 PolarHBondContact O-N 3.41Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.42Å; D96-E98 PolarHBondContact OD1-N 3.5Å; D96-K99 HydrophobicContact CB-CB 3.82Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 PolarHBondContact OD1-N 3.35Å; D96-K99 WeakPolarHBondContact OD2-CB 3.35Å; D96-V100 WeakPolarHBondContact O-CG2 3.46Å; D96-V100 PolarHBondContact O-N 3.22Å
97	S	92.3	Very high	96.6	Very high	94 Å²	94	58.6 Å²	58.6	66%	0.657	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-32.2	179.7	68.3	0	0	0	0	114.2	D95 A101	D95-S97 PolarHBondContact O-N 3.21Å; S97-A101 VanDerWaalsContact O-CB 3.29Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 3.19Å
98	E	94.8	Very high	96.7	Very high	160 Å²	160	58 Å²	58	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-73.3	-43.1	179.7	-65.7	-169.5	169.4	0	0	110.1	D96 A101 S102	D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 3.42Å; D96-E98 PolarHBondContact OD1-N 3.5Å; E98-A101 PolarHBondContact O-N 3.21Å; E98-S102 WeakPolarHBondContact O-CB 3.48Å; E98-S102 PolarHBondContact O-N 2.87Å
99	K	95.8	Very high	96.6	Very high	87 Å²	87	61 Å²	61	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-47.5	175.3	-174.6	62.4	170.6	-171.9	0	111.3	N93 D96 A101 S102 V103	N93-K99 HydrophobicContact CB-CB 4.1Å; N93-K99 HydrophobicContact CB-CG 3.65Å; D96-K99 HydrophobicContact CB-CB 3.82Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 PolarHBondContact OD1-N 3.35Å; D96-K99 WeakPolarHBondContact OD2-CB 3.35Å; K99-A101 PolarHBondContact O-N 3.4Å; K99-S102 PolarHBondContact O-N 3.36Å; K99-S102 VanDerWaalsContact O-N 3.17Å; K99-S102 PolarHBondContact O-OG 2.94Å; K99-V103 WeakPolarHBondContact O-CG2 3.43Å; K99-V103 PolarHBondContact O-N 2.94Å
100	V	96.1	Very high	96.7	Very high	28 Å²	28	60.5 Å²	60.5	17%	0.17	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-50.8	175.4	168.8	0	0	0	0	110.6	L90 N93 D96 S102 V103 L104	L90-V100 HydrophobicContact CD2-CB 4.4Å; L90-V100 HydrophobicContact CD2-CG1 3.99Å; L90-V100 HydrophobicContact CD2-CG2 4.34Å; N93-V100 VanDerWaalsContact O-CG2 3.29Å; N93-V100 WeakPolarHBondContact O-CG2 3.26Å; D96-V100 WeakPolarHBondContact O-CG2 3.46Å; D96-V100 PolarHBondContact O-N 3.22Å; V100-S102 VanDerWaalsContact C-N 3.28Å; V100-S102 PolarHBondContact O-N 3.42Å; V100-V103 PolarHBondContact O-N 3.42Å; V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 HydrophobicContact CG1-CG 4.33Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.15Å
101	A	95.6	Very high	96.7	Very high	56 Å²	56	61.8 Å²	61.8	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-40	178.5	0	0	0	0	0	112.2	S97 E98 K99 L104 K105	S97-A101 VanDerWaalsContact O-CB 3.29Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 3.19Å; E98-A101 PolarHBondContact O-N 3.21Å; K99-A101 PolarHBondContact O-N 3.4Å; A101-L104 PolarHBondContact O-N 2.77Å; A101-K105 VanDerWaalsContact O-CB 3.26Å; A101-K105 WeakPolarHBondContact O-CB 3.21Å; A101-K105 PolarHBondContact O-N 2.77Å
102	S	97.6	Very high	96.7	Very high	62 Å²	62	61.6 Å²	61.6	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-63.9	-41.1	177.9	80.2	0	0	0	0	112.8	E98 K99 V100 K105 L106	E98-S102 WeakPolarHBondContact O-CB 3.48Å; E98-S102 PolarHBondContact O-N 2.87Å; K99-S102 PolarHBondContact O-N 3.36Å; K99-S102 VanDerWaalsContact O-N 3.17Å; K99-S102 PolarHBondContact O-OG 2.94Å; V100-S102 VanDerWaalsContact C-N 3.28Å; V100-S102 PolarHBondContact O-N 3.42Å; S102-K105 PolarHBondContact O-N 3.33Å; S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 3.38Å
103	V	97.7	Very high	96.6	Very high	17 Å²	17	60.3 Å²	60.3	10%	0.103	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-48.1	177.9	173.9	0	0	0	0	110.2	T89 L90 K99 V100 K105 L106 V107	T89-V103 HydrophobicContact CG2-CG2 3.78Å; L90-V103 HydrophobicContact CD2-CB 4Å; L90-V103 HydrophobicContact CD2-CG1 3.86Å; L90-V103 HydrophobicContact CG-CG1 3.95Å; K99-V103 WeakPolarHBondContact O-CG2 3.43Å; K99-V103 PolarHBondContact O-N 2.94Å; V100-V103 PolarHBondContact O-N 3.42Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.99Å; V103-L106 PolarHBondContact O-N 3.16Å; V103-V107 HydrophobicContact CG1-CG2 4.37Å; V103-V107 WeakPolarHBondContact O-CG2 3.18Å; V103-V107 PolarHBondContact O-N 2.98Å
104	L	97.8	Very high	96.6	Very high	11 Å²	11	66.1 Å²	66.1	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-39.5	177.6	-62.8	-179	0	0	0	111.4	L90 V100 A101 V107 G108 V156 I160	L90-L104 HydrophobicContact CD1-CD2 4.16Å; L90-L104 HydrophobicContact CD2-CD2 4.07Å; L90-L104 HydrophobicContact CD2-CG 4.27Å; V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 HydrophobicContact CG1-CG 4.33Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.15Å; A101-L104 PolarHBondContact O-N 2.77Å; L104-V107 PolarHBondContact O-N 3.46Å; L104-G108 WeakPolarHBondContact O-CA 3.5Å; L104-G108 PolarHBondContact O-N 3.04Å; L104-V156 HydrophobicContact CD2-CB 4.34Å; L104-V156 HydrophobicContact CD2-CG1 3.9Å; L104-V156 HydrophobicContact CD2-CG2 4.28Å; L104-I160 HydrophobicContact CB-CD1 4.31Å; L104-I160 HydrophobicContact CD2-CD1 4.17Å; L104-I160 HydrophobicContact CD2-CG1 4.25Å; L104-I160 WeakPolarHBondContact O-CD1 3.22Å
105	K	98.1	Very high	96.7	Very high	92 Å²	92	69.3 Å²	69.3	40%	0.4	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-44	175.1	-170	168.5	-170.8	159.9	0	112.4	A101 S102 V103 K109 V163	A101-K105 VanDerWaalsContact O-CB 3.26Å; A101-K105 WeakPolarHBondContact O-CB 3.21Å; A101-K105 PolarHBondContact O-N 2.77Å; S102-K105 PolarHBondContact O-N 3.33Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.99Å; K105-K109 HydrophobicContact CG-CD 4.18Å; K105-K109 HydrophobicContact CG-CG 4.42Å; K105-K109 VanDerWaalsContact O-CB 3.25Å; K105-K109 WeakPolarHBondContact O-CB 3.46Å; K105-K109 VanDerWaalsContact O-CG 3.22Å; K105-K109 WeakPolarHBondContact O-CG 3.4Å; K105-K109 PolarHBondContact O-N 3.09Å; K105-V163 HydrophobicContact CB-CG2 4.26Å
106	L	98.2	Very high	96.9	Very high	132 Å²	132	69.2 Å²	69.2	69%	0.691	36%	0.361	S	S	*	.	H	α-helix	trans	-61.8	-50.6	177.2	179.2	65.1	0	0	0	111.2	S102 V103 A110	S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 3.38Å; V103-L106 PolarHBondContact O-N 3.16Å; L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.2Å; L106-A110 VanDerWaalsContact O-N 3.16Å
107	V	98.2	Very high	97	Very high	35 Å²	35	66.7 Å²	66.7	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-51.7	-179.6	173.2	0	0	0	0	110.4	V103 L104 K109 A110 H111 F122 I160	V103-V107 HydrophobicContact CG1-CG2 4.37Å; V103-V107 WeakPolarHBondContact O-CG2 3.18Å; V103-V107 PolarHBondContact O-N 2.98Å; L104-V107 PolarHBondContact O-N 3.46Å; V107-K109 PolarHBondContact O-N 2.93Å; V107-A110 PolarHBondContact O-N 3.38Å; V107-H111 PolarHBondContact O-N 3.45Å; V107-H111 PolarHBondContact O-ND1 3.21Å; V107-F122 HydrophobicContact CG1-CE1 4.06Å; V107-F122 HydrophobicContact CG1-CZ 4.35Å; V107-I160 HydrophobicContact CB-CD1 4.09Å; V107-I160 HydrophobicContact CG1-CD1 3.93Å
108	G	98.2	Very high	97.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-46.9	-177.9	0	0	0	0	0	112.4	L104 A110 H111 A112 Y164	L104-G108 WeakPolarHBondContact O-CA 3.5Å; L104-G108 PolarHBondContact O-N 3.04Å; G108-A110 PolarHBondContact O-N 2.9Å; G108-H111 PolarHBondContact O-N 3.06Å; G108-A112 VanDerWaalsContact O-CB 3.28Å; G108-A112 WeakPolarHBondContact O-CB 3.36Å; G108-A112 PolarHBondContact O-N 3.5Å; G108-Y164 WeakPolarHBondContact O-CE2 3.43Å
109	K	98.2	Very high	97.2	Very high	83 Å²	83	58.7 Å²	58.7	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.4	-73.9	-169.3	172.4	-166.8	0	112.5	K105 V107 L113 V163 V167	K105-K109 HydrophobicContact CG-CD 4.18Å; K105-K109 HydrophobicContact CG-CG 4.42Å; K105-K109 VanDerWaalsContact O-CB 3.25Å; K105-K109 WeakPolarHBondContact O-CB 3.46Å; K105-K109 VanDerWaalsContact O-CG 3.22Å; K105-K109 WeakPolarHBondContact O-CG 3.4Å; K105-K109 PolarHBondContact O-N 3.09Å; V107-K109 PolarHBondContact O-N 2.93Å; K109-L113 VanDerWaalsContact O-CB 3.25Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 PolarHBondContact O-N 2.77Å; K109-V163 HydrophobicContact CG-CG1 3.76Å; K109-V167 HydrophobicContact CD-CG1 4.4Å; K109-V167 HydrophobicContact CG-CG1 3.9Å
110	A	98.2	Very high	97.2	Very high	35 Å²	35	57.9 Å²	57.9	29%	0.289	31%	0.307	S	S	.	.	I	π-helix	trans	-61.7	-46.5	177.6	0	0	0	0	0	111.1	L106 V107 G108 K114 H115	L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.2Å; L106-A110 VanDerWaalsContact O-N 3.16Å; V107-A110 PolarHBondContact O-N 3.38Å; G108-A110 PolarHBondContact O-N 2.9Å; A110-K114 WeakPolarHBondContact O-CA 3.44Å; A110-K114 VanDerWaalsContact O-CB 3.28Å; A110-K114 WeakPolarHBondContact O-CB 3.46Å; A110-K114 PolarHBondContact O-N 2.9Å; A110-H115 PolarHBondContact O-CD2 3.38Å; A110-H115 VanDerWaalsContact O-CD2 3.23Å; A110-H115 PolarHBondContact O-N 3.49Å; A110-H115 VanDerWaalsContact O-N 3.08Å
111	H	98.4	Very high	97.3	Very high	37 Å²	37	58.3 Å²	58.3	17%	0.171	31%	0.306	C	S	.	.	I	π-helix	trans	-70.1	-38.9	-178	-69.8	79.7	0	0	0	112.6	V107 G108 H115 K116 V117 F122 Y164	V107-H111 PolarHBondContact O-N 3.45Å; V107-H111 PolarHBondContact O-ND1 3.21Å; G108-H111 PolarHBondContact O-N 3.06Å; H111-H115 CarbonylContact O-C 3.51Å; H111-K116 PolarHBondContact O-N 2.92Å; H111-V117 HydrophobicContact CB-CB 4.37Å; H111-V117 PolarHBondContact O-N 3.23Å; H111-F122 HydrophobicContact CB-CE2 3.87Å; H111-F122 HydrophobicContact CB-CZ 3.68Å; H111-F122 AromaticContact CD2-CZ 3.73Å; H111-F122 AromaticContact CG-CZ 3.5Å; H111-F122 AromaticContact ND1-CZ 3.9Å; H111-Y164 HydrophobicContact CB-CE2 4.42Å; H111-Y164 VanDerWaalsContact CB-OH 3.31Å; H111-Y164 WeakPolarHBondContact CB-OH 3.44Å
112	A	97.7	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-72.9	-45.9	177.6	0	0	0	0	0	113.1	G108 K116 Y164 V167 W169	G108-A112 VanDerWaalsContact O-CB 3.28Å; G108-A112 WeakPolarHBondContact O-CB 3.36Å; G108-A112 PolarHBondContact O-N 3.5Å; A112-K116 WeakPolarHBondContact O-CD 3.34Å; A112-Y164 HydrophobicContact CB-CD1 3.93Å; A112-Y164 HydrophobicContact CB-CD2 3.94Å; A112-Y164 HydrophobicContact CB-CE1 3.75Å; A112-Y164 HydrophobicContact CB-CE2 3.79Å; A112-Y164 HydrophobicContact CB-CG 4.03Å; A112-Y164 PolarHBondContact N-OH 2.92Å; A112-V167 HydrophobicContact CB-CG2 3.76Å; A112-W169 HydrophobicContact CB-CE3 4.12Å; A112-W169 VanDerWaalsContact O-CZ3 3.28Å; A112-W169 WeakPolarHBondContact O-CZ3 3.31Å
113	L	96.6	Very high	97.3	Very high	89 Å²	89	61.8 Å²	61.8	47%	0.466	30%	0.303	S	S	.	.	I	π-helix	trans	-92.2	-41.9	-169.5	-62.6	179.9	0	0	0	113.1	K109 K116 V167	K109-L113 VanDerWaalsContact O-CB 3.25Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 PolarHBondContact O-N 2.77Å; L113-K116 WeakPolarHBondContact O-CE 3.42Å; L113-K116 PolarHBondContact O-NZ 3.1Å; L113-V167 HydrophobicContact CD1-CB 4.41Å; L113-V167 HydrophobicContact CD1-CG1 4.15Å; L113-V167 HydrophobicContact CD2-CB 4.02Å; L113-V167 HydrophobicContact CD2-CG2 4.09Å; L113-V167 HydrophobicContact CG-CB 4.32Å; L113-V167 HydrophobicContact CG-CG1 4.43Å; L113-V167 HydrophobicContact CG-CG2 4.36Å
114	K	96.4	Very high	97.3	Very high	163 Å²	163	62.9 Å²	62.9	71%	0.709	31%	0.308	S	S	*	.	I	π-helix	trans	-92	-47.7	-175.5	-179.2	-179.7	178.9	177.5	0	112	A110	A110-K114 WeakPolarHBondContact O-CA 3.44Å; A110-K114 VanDerWaalsContact O-CB 3.28Å; A110-K114 WeakPolarHBondContact O-CB 3.46Å; A110-K114 PolarHBondContact O-N 2.9Å
115	H	96.9	Very high	97.4	Very high	87 Å²	87	63.6 Å²	63.6	40%	0.403	31%	0.311	S	S	.	.	I	π-helix	trans	-92.6	-15.9	-172.3	-56.2	-61.2	0	0	0	113.8	A110 H111 V117	A110-H115 PolarHBondContact O-CD2 3.38Å; A110-H115 VanDerWaalsContact O-CD2 3.23Å; A110-H115 PolarHBondContact O-N 3.49Å; A110-H115 VanDerWaalsContact O-N 3.08Å; H111-H115 CarbonylContact O-C 3.51Å; H115-V117 HydrophobicContact CB-CG2 3.76Å; H115-V117 PolarHBondContact O-N 3.26Å
116	K	96.8	Very high	97.4	Very high	118 Å²	118	59.9 Å²	59.9	51%	0.513	30%	0.297	S	S	.	.			trans	54.6	37.9	-179.8	-54.1	-61.6	179.2	-168.6	0	112.8	Y57 H111 A112 L113 W169	Y57-K116 VanDerWaalsContact CE1-O 3.24Å; Y57-K116 WeakPolarHBondContact CE1-O 3.49Å; H111-K116 PolarHBondContact O-N 2.92Å; A112-K116 WeakPolarHBondContact O-CD 3.34Å; L113-K116 WeakPolarHBondContact O-CE 3.42Å; L113-K116 PolarHBondContact O-NZ 3.1Å; K116-W169 HydrophobicContact CB-CH2 4.44Å; K116-W169 HydrophobicContact CD-CZ3 4.22Å
117	V	97.3	Very high	97.3	Very high	14 Å²	14	55.6 Å²	55.6	9%	0.085	28%	0.284	C	S	.	.			trans	-79.3	131	-179.6	178.3	0	0	0	0	109.8	Y57 H111 H115 Y121 Y164	Y57-V117 HydrophobicContact CD1-CG2 3.97Å; Y57-V117 HydrophobicContact CD2-CG1 4.36Å; Y57-V117 HydrophobicContact CD2-CG2 4.19Å; Y57-V117 HydrophobicContact CE1-CB 4.5Å; Y57-V117 HydrophobicContact CE1-CG2 4.36Å; Y57-V117 HydrophobicContact CE2-CG1 4.13Å; Y57-V117 HydrophobicContact CG-CG2 3.89Å; H111-V117 HydrophobicContact CB-CB 4.37Å; H111-V117 PolarHBondContact O-N 3.23Å; H115-V117 HydrophobicContact CB-CG2 3.76Å; H115-V117 PolarHBondContact O-N 3.26Å; V117-Y121 HydrophobicContact CG1-CD2 4.21Å; V117-Y164 VanDerWaalsContact O-CE1 3.22Å; V117-Y164 WeakPolarHBondContact O-CE1 3.31Å; V117-Y164 PolarHBondContact O-OH 3.36Å
118	D	96.4	Very high	97.4	Very high	55 Å²	55	54.1 Å²	54.1	29%	0.294	28%	0.275	S	S	.	.			trans	-62.1	128.5	173.8	-169.4	-50.1	0	0	0	110.3	Y57 V120 Y121	Y57-D118 PolarHBondContact OH-N 3.25Å; D118-V120 HydrophobicContact CB-CG1 4.09Å; D118-V120 PolarHBondContact O-N 3.08Å; D118-V120 WeakPolarHBondContact OD1-CB 3.5Å; D118-V120 VanDerWaalsContact OD1-CG1 3.24Å; D118-V120 WeakPolarHBondContact OD1-CG1 3.22Å; D118-V120 PolarHBondContact OD1-N 3.09Å; D118-Y121 HydrophobicContact CB-CD2 3.85Å; D118-Y121 HydrophobicContact CB-CE2 3.9Å; D118-Y121 WeakPolarHBondContact O-CD2 3.25Å; D118-Y121 PolarHBondContact O-N 3.39Å; D118-Y121 VanDerWaalsContact O-N 3.11Å
119	P	95.4	Very high	97.4	Very high	32 Å²	32	54.3 Å²	54.3	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.6	-178.2	24.8	-34.3	0	0	0	113.8	Y121 F122 Y164	P119-Y121 PolarHBondContact O-N 2.91Å; P119-F122 PolarHBondContact O-N 3.33Å; P119-F122 VanDerWaalsContact O-N 3.14Å; P119-Y164 HydrophobicContact CB-CD1 3.76Å; P119-Y164 HydrophobicContact CB-CE1 3.84Å; P119-Y164 HydrophobicContact CB-CG 4.2Å; P119-Y164 HydrophobicContact CG-CD1 3.82Å; P119-Y164 HydrophobicContact CG-CE1 4.04Å
120	V	95.7	Very high	97.4	Very high	69 Å²	69	52.7 Å²	52.7	42%	0.418	27%	0.272	S	S	.	.	H	α-helix	trans	-56.6	-33.1	175.1	75.8	0	0	0	0	112.3	D118 F122 K123 I124	D118-V120 HydrophobicContact CB-CG1 4.09Å; D118-V120 PolarHBondContact O-N 3.08Å; D118-V120 WeakPolarHBondContact OD1-CB 3.5Å; D118-V120 VanDerWaalsContact OD1-CG1 3.24Å; D118-V120 WeakPolarHBondContact OD1-CG1 3.22Å; D118-V120 PolarHBondContact OD1-N 3.09Å; V120-F122 VanDerWaalsContact C-N 3.27Å; V120-F122 PolarHBondContact O-N 3.23Å; V120-K123 WeakPolarHBondContact O-CB 3.3Å; V120-K123 PolarHBondContact O-N 3.35Å; V120-K123 VanDerWaalsContact O-N 3.11Å; V120-I124 HydrophobicContact CG1-CD1 4.5Å; V120-I124 HydrophobicContact CG2-CD1 4.23Å; V120-I124 WeakPolarHBondContact O-CG1 3.35Å; V120-I124 PolarHBondContact O-N 3.17Å; V120-I124 VanDerWaalsContact O-N 3.07Å
121	Y	97.7	Very high	97.4	Very high	38 Å²	38	54.9 Å²	54.9	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-23.1	-178.5	-67.9	-66.8	0	0	0	113.1	S53 S54 Y57 V117 D118 P119 I124 L125	S53-Y121 VanDerWaalsContact CB-OH 3.29Å; S53-Y121 WeakPolarHBondContact CB-OH 3.25Å; S53-Y121 PolarHBondContact OG-OH 2.9Å; S54-Y121 VanDerWaalsContact CB-CE1 3.48Å; Y57-Y121 AromaticContact CE2-CD2 3.71Å; Y57-Y121 HydrophobicContact CE2-CD2 3.71Å; Y57-Y121 AromaticContact CE2-CE2 3.51Å; Y57-Y121 HydrophobicContact CE2-CE2 3.51Å; Y57-Y121 AromaticContact CZ-CE2 3.94Å; Y57-Y121 WeakPolarHBondContact OH-CE2 3.43Å; V117-Y121 HydrophobicContact CG1-CD2 4.21Å; D118-Y121 HydrophobicContact CB-CD2 3.85Å; D118-Y121 HydrophobicContact CB-CE2 3.9Å; D118-Y121 WeakPolarHBondContact O-CD2 3.25Å; D118-Y121 PolarHBondContact O-N 3.39Å; D118-Y121 VanDerWaalsContact O-N 3.11Å; P119-Y121 PolarHBondContact O-N 2.91Å; Y121-I124 HydrophobicContact CD1-CD1 4.04Å; Y121-I124 HydrophobicContact CE1-CD1 4.38Å; Y121-L125 WeakPolarHBondContact O-CB 3.5Å; Y121-L125 PolarHBondContact O-N 3.36Å
122	F	97.8	Very high	97.4	Very high	29 Å²	29	53.2 Å²	53.2	13%	0.127	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-39.5	171	-75.8	-88.9	0	0	0	111.7	V107 H111 P119 V120 S126 I160 Y164	V107-F122 HydrophobicContact CG1-CE1 4.06Å; V107-F122 HydrophobicContact CG1-CZ 4.35Å; H111-F122 HydrophobicContact CB-CE2 3.87Å; H111-F122 HydrophobicContact CB-CZ 3.68Å; H111-F122 AromaticContact CD2-CZ 3.73Å; H111-F122 AromaticContact CG-CZ 3.5Å; H111-F122 AromaticContact ND1-CZ 3.9Å; P119-F122 PolarHBondContact O-N 3.33Å; P119-F122 VanDerWaalsContact O-N 3.14Å; V120-F122 VanDerWaalsContact C-N 3.27Å; V120-F122 PolarHBondContact O-N 3.23Å; F122-S126 WeakPolarHBondContact O-CB 3.31Å; F122-S126 PolarHBondContact O-N 2.8Å; F122-S126 PolarHBondContact O-OG 3.26Å; F122-S126 VanDerWaalsContact O-OG 3.09Å; F122-I160 HydrophobicContact CD1-CG1 4.22Å; F122-I160 HydrophobicContact CD1-CG2 4.09Å; F122-I160 HydrophobicContact CD2-CG2 3.84Å; F122-I160 HydrophobicContact CE1-CD1 4.36Å; F122-I160 HydrophobicContact CE1-CG1 4.28Å; F122-I160 HydrophobicContact CE1-CG2 4.15Å; F122-I160 HydrophobicContact CE2-CG2 3.91Å; F122-I160 HydrophobicContact CG-CG2 3.92Å; F122-I160 HydrophobicContact CZ-CG2 4.05Å; F122-Y164 HydrophobicContact CE2-CE2 4.09Å; F122-Y164 WeakPolarHBondContact CE2-OH 3.28Å
123	K	96.1	Very high	97.3	Very high	162 Å²	162	53.3 Å²	53.3	70%	0.704	27%	0.269	S	S	*	.	H	α-helix	trans	-66.1	-42.7	175.6	-176.7	176.9	177.8	179.5	0	111.2	V120 S126 G127	V120-K123 WeakPolarHBondContact O-CB 3.3Å; V120-K123 PolarHBondContact O-N 3.35Å; V120-K123 VanDerWaalsContact O-N 3.11Å; K123-S126 PolarHBondContact O-N 3.14Å; K123-G127 PolarHBondContact O-N 2.87Å
124	I	98.1	Very high	97.4	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-50.3	176.7	-66	169.2	0	0	0	110.4	L47 F51 V120 Y121 S126 G127 V128	L47-I124 HydrophobicContact CD1-CG2 3.64Å; F51-I124 HydrophobicContact CD1-CD1 4.03Å; F51-I124 HydrophobicContact CD1-CG2 3.88Å; F51-I124 HydrophobicContact CD2-CG2 3.4Å; F51-I124 VanDerWaalsContact CD2-CG2 3.4Å; F51-I124 HydrophobicContact CE1-CD1 4.22Å; F51-I124 HydrophobicContact CE1-CG1 4.43Å; F51-I124 HydrophobicContact CE1-CG2 3.83Å; F51-I124 HydrophobicContact CE2-CG2 3.35Å; F51-I124 HydrophobicContact CG-CG2 3.68Å; F51-I124 HydrophobicContact CZ-CG2 3.57Å; V120-I124 HydrophobicContact CG1-CD1 4.5Å; V120-I124 HydrophobicContact CG2-CD1 4.23Å; V120-I124 WeakPolarHBondContact O-CG1 3.35Å; V120-I124 PolarHBondContact O-N 3.17Å; V120-I124 VanDerWaalsContact O-N 3.07Å; Y121-I124 HydrophobicContact CD1-CD1 4.04Å; Y121-I124 HydrophobicContact CE1-CD1 4.38Å; I124-S126 VanDerWaalsContact C-N 3.29Å; I124-S126 PolarHBondContact O-N 2.99Å; I124-G127 WeakPolarHBondContact O-CA 3.31Å; I124-G127 PolarHBondContact O-N 3.14Å; I124-V128 PolarHBondContact O-N 3.35Å
125	L	98.4	Very high	97.4	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-40.4	178.5	176.1	59.5	0	0	0	111.7	I43 L44 L47 Y121 G127 V128 I129	I43-L125 HydrophobicContact CG2-CD1 3.58Å; L44-L125 HydrophobicContact CD2-CD1 4.24Å; L47-L125 HydrophobicContact CD2-CB 4.45Å; L47-L125 HydrophobicContact CD2-CD1 4.11Å; Y121-L125 WeakPolarHBondContact O-CB 3.5Å; Y121-L125 PolarHBondContact O-N 3.36Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 3.37Å; L125-V128 PolarHBondContact O-N 2.89Å; L125-I129 HydrophobicContact CD1-CD1 4.2Å; L125-I129 HydrophobicContact CD1-CG1 4.1Å; L125-I129 HydrophobicContact CG-CD1 3.92Å; L125-I129 HydrophobicContact CG-CG1 4.32Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.5Å; L125-I129 PolarHBondContact O-N 3.3Å
126	S	97.9	Very high	97.3	Very high	15 Å²	15	48.4 Å²	48.4	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-41.1	173.8	-75.2	0	0	0	0	112.9	F122 K123 I124 L130 L153 C157	F122-S126 WeakPolarHBondContact O-CB 3.31Å; F122-S126 PolarHBondContact O-N 2.8Å; F122-S126 PolarHBondContact O-OG 3.26Å; F122-S126 VanDerWaalsContact O-OG 3.09Å; K123-S126 PolarHBondContact O-N 3.14Å; I124-S126 VanDerWaalsContact C-N 3.29Å; I124-S126 PolarHBondContact O-N 2.99Å; S126-L130 PolarHBondContact O-N 3.02Å; S126-L153 WeakPolarHBondContact O-CD1 3.36Å; S126-C157 PolarHBondContact OG-SG 3.08Å
127	G	97.9	Very high	97.3	Very high	41 Å²	41	44.7 Å²	44.7	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-46.4	173.3	0	0	0	0	0	112.3	K123 I124 L125 I129 L130 E131	K123-G127 PolarHBondContact O-N 2.87Å; I124-G127 WeakPolarHBondContact O-CA 3.31Å; I124-G127 PolarHBondContact O-N 3.14Å; L125-G127 VanDerWaalsContact C-N 3.31Å; L125-G127 PolarHBondContact O-N 3.37Å; G127-I129 PolarHBondContact O-N 3.02Å; G127-L130 PolarHBondContact O-N 3.39Å; G127-E131 PolarHBondContact O-N 3.03Å
128	V	98.6	Very high	97.2	Very high	4 Å²	4	48 Å²	48	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-39.6	178.9	174.6	0	0	0	0	112	I43 R46 L47 F51 I124 L125 L130 E131 V132	I43-V128 HydrophobicContact CG2-CG1 4.35Å; I43-V128 VanDerWaalsContact O-CG1 3.31Å; I43-V128 WeakPolarHBondContact O-CG1 3.48Å; R46-V128 HydrophobicContact CB-CG1 3.81Å; R46-V128 HydrophobicContact CG-CG1 3.78Å; L47-V128 HydrophobicContact CB-CG1 4.37Å; L47-V128 HydrophobicContact CB-CG2 4.48Å; F51-V128 HydrophobicContact CE2-CG2 4.15Å; I124-V128 PolarHBondContact O-N 3.35Å; L125-V128 PolarHBondContact O-N 2.89Å; V128-L130 PolarHBondContact O-N 3.23Å; V128-E131 PolarHBondContact O-N 3.47Å; V128-V132 HydrophobicContact CG1-CG2 4.18Å; V128-V132 WeakPolarHBondContact O-CB 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.4Å; V128-V132 PolarHBondContact O-N 2.78Å
129	I	98.4	Very high	97.2	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-52.2	174.2	-71.1	162.7	0	0	0	109.3	I43 L87 L125 G127 E131 V132 L133 L153	I43-I129 HydrophobicContact CD1-CG1 4.24Å; I43-I129 HydrophobicContact CG2-CG1 3.73Å; L87-I129 HydrophobicContact CD1-CD1 4.06Å; L125-I129 HydrophobicContact CD1-CD1 4.2Å; L125-I129 HydrophobicContact CD1-CG1 4.1Å; L125-I129 HydrophobicContact CG-CD1 3.92Å; L125-I129 HydrophobicContact CG-CG1 4.32Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.5Å; L125-I129 PolarHBondContact O-N 3.3Å; G127-I129 PolarHBondContact O-N 3.02Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 PolarHBondContact O-N 2.82Å; I129-V132 PolarHBondContact O-N 3.45Å; I129-L133 HydrophobicContact CG2-CD1 3.78Å; I129-L133 HydrophobicContact CG2-CG 4.12Å; I129-L133 WeakPolarHBondContact O-CB 3.5Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.18Å; I129-L153 HydrophobicContact CB-CD1 4.48Å; I129-L153 HydrophobicContact CD1-CD2 4.26Å; I129-L153 HydrophobicContact CG2-CD1 4.24Å; I129-L153 HydrophobicContact CG2-CD2 4.42Å
130	L	98.1	Very high	97.2	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-40.9	-177.6	-175.5	63.3	0	0	0	112.6	S126 G127 V128 G134 W149 T150 L153	S126-L130 PolarHBondContact O-N 3.02Å; G127-L130 PolarHBondContact O-N 3.39Å; V128-L130 PolarHBondContact O-N 3.23Å; L130-G134 PolarHBondContact O-N 2.86Å; L130-W149 HydrophobicContact CD1-CB 3.81Å; L130-T150 VanDerWaalsContact CD2-OG1 3.24Å; L130-T150 WeakPolarHBondContact CD2-OG1 2.93Å; L130-L153 HydrophobicContact CB-CD1 4.22Å
131	E	98.1	Very high	97.3	Very high	80 Å²	80	52.2 Å²	52.2	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-55	175.8	-175.7	-176.4	141.7	0	0	111	R46 G127 V128 I129 L133 G134 E135	R46-E131 IonicContact CZ-OE1 3Å; R46-E131 IonicContact NH1-OE1 2.78Å; R46-E131 PolarHBondContact NH1-OE1 2.94Å; G127-E131 PolarHBondContact O-N 3.03Å; V128-E131 PolarHBondContact O-N 3.47Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 PolarHBondContact O-N 2.82Å; E131-L133 PolarHBondContact O-N 3.28Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.16Å; E131-E135 WeakPolarHBondContact O-CG 3.16Å; E131-E135 PolarHBondContact O-N 3.34Å
132	V	98.2	Very high	97.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-41.2	-178.1	173.5	0	0	0	0	111.4	A42 I43 R46 V128 I129 G134 E135 E136	A42-V132 HydrophobicContact CB-CG1 4.14Å; I43-V132 HydrophobicContact CG1-CB 3.95Å; I43-V132 HydrophobicContact CG1-CG1 3.83Å; I43-V132 HydrophobicContact CG1-CG2 4.38Å; R46-V132 HydrophobicContact CB-CG2 4.06Å; R46-V132 HydrophobicContact CG-CG2 4.1Å; V128-V132 HydrophobicContact CG1-CG2 4.18Å; V128-V132 WeakPolarHBondContact O-CB 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.4Å; V128-V132 PolarHBondContact O-N 2.78Å; I129-V132 PolarHBondContact O-N 3.45Å; V132-G134 VanDerWaalsContact C-N 3.31Å; V132-G134 PolarHBondContact O-N 3.23Å; V132-E135 PolarHBondContact O-N 3.43Å; V132-E136 HydrophobicContact CG1-CG 3.9Å; V132-E136 VanDerWaalsContact O-CB 3.31Å; V132-E136 WeakPolarHBondContact O-CB 3.34Å; V132-E136 WeakPolarHBondContact O-CG 3.41Å; V132-E136 PolarHBondContact O-N 3.08Å
133	L	97.4	Very high	97.3	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-38.1	176.4	-68	-172.4	0	0	0	112.1	V32 I129 E131 Y137 V141 W149	V32-L133 HydrophobicContact CB-CD2 4.35Å; V32-L133 HydrophobicContact CG1-CD2 3.6Å; V32-L133 HydrophobicContact CG2-CD2 3.77Å; I129-L133 HydrophobicContact CG2-CD1 3.78Å; I129-L133 HydrophobicContact CG2-CG 4.12Å; I129-L133 WeakPolarHBondContact O-CB 3.5Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.18Å; E131-L133 PolarHBondContact O-N 3.28Å; L133-Y137 HydrophobicContact CD2-CD2 4.33Å; L133-Y137 HydrophobicContact CD2-CE2 4.47Å; L133-Y137 WeakPolarHBondContact O-CB 3.29Å; L133-Y137 PolarHBondContact O-N 3.47Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; L133-V141 HydrophobicContact CB-CG2 4.24Å; L133-V141 WeakPolarHBondContact O-CG2 3.32Å; L133-W149 HydrophobicContact CD1-CD2 4.26Å; L133-W149 HydrophobicContact CD1-CE3 4.36Å; L133-W149 HydrophobicContact CD1-CH2 4.42Å; L133-W149 HydrophobicContact CD1-CZ2 4.29Å; L133-W149 HydrophobicContact CD1-CZ3 4.44Å
134	G	97.4	Very high	97.4	Very high	30 Å²	30	54.8 Å²	54.8	31%	0.309	30%	0.304	S	S	.	.	H	α-helix	trans	-69.5	-35.9	176.3	0	0	0	0	0	113.7	L130 E131 V132 P138	L130-G134 PolarHBondContact O-N 2.86Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.16Å; V132-G134 VanDerWaalsContact C-N 3.31Å; V132-G134 PolarHBondContact O-N 3.23Å; G134-P138 WeakPolarHBondContact O-CA 3.28Å
135	E	97	Very high	97.4	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-74.3	-45.7	178	-72	178	173.4	0	0	112.4	R46 E131 V132 P138	R46-E135 IonicContact CZ-OE2 2.82Å; R46-E135 VanDerWaalsContact CZ-OE2 3.28Å; R46-E135 IonicContact NH1-OE1 3.28Å; R46-E135 PolarHBondContact NH1-OE1 2.78Å; R46-E135 IonicContact NH1-OE2 3.78Å; R46-E135 PolarHBondContact NH1-OE2 3.29Å; R46-E135 VanDerWaalsContact NH1-OE2 3.09Å; R46-E135 IonicContact NH2-OE2 3.38Å; R46-E135 PolarHBondContact NH2-OE2 3.02Å; E131-E135 WeakPolarHBondContact O-CG 3.16Å; E131-E135 PolarHBondContact O-N 3.34Å; V132-E135 PolarHBondContact O-N 3.43Å; E135-P138 WeakPolarHBondContact O-CD 3.48Å
136	E	95.5	Very high	97.4	Very high	115 Å²	115	52.9 Å²	52.9	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-85	-24.9	-172.8	-64.2	-60.6	139.9	0	0	113.2	V132	V132-E136 HydrophobicContact CG1-CG 3.9Å; V132-E136 VanDerWaalsContact O-CB 3.31Å; V132-E136 WeakPolarHBondContact O-CB 3.34Å; V132-E136 WeakPolarHBondContact O-CG 3.41Å; V132-E136 PolarHBondContact O-N 3.08Å
137	Y	96.1	Very high	97.4	Very high	39 Å²	39	54.6 Å²	54.6	15%	0.153	31%	0.313	C	S	.	.			trans	-128.5	50.7	-178.1	-57.3	-93	0	0	0	112.6	V32 L133 E139 V140 V141	V32-Y137 HydrophobicContact CB-CE2 4.42Å; V32-Y137 HydrophobicContact CG1-CE2 4.21Å; V32-Y137 HydrophobicContact CG2-CD1 4.32Å; V32-Y137 HydrophobicContact CG2-CD2 3.92Å; V32-Y137 HydrophobicContact CG2-CE1 4.39Å; V32-Y137 HydrophobicContact CG2-CE2 4.02Å; V32-Y137 HydrophobicContact CG2-CG 4.09Å; L133-Y137 HydrophobicContact CD2-CD2 4.33Å; L133-Y137 HydrophobicContact CD2-CE2 4.47Å; L133-Y137 WeakPolarHBondContact O-CB 3.29Å; L133-Y137 PolarHBondContact O-N 3.47Å; L133-Y137 VanDerWaalsContact O-N 3.07Å; Y137-E139 VanDerWaalsContact C-N 3.25Å; Y137-E139 PolarHBondContact O-N 2.88Å; Y137-E139 VanDerWaalsContact O-N 3.17Å; Y137-V140 PolarHBondContact O-N 3.39Å; Y137-V141 PolarHBondContact O-N 3.15Å
138	P	95.8	Very high	97.4	Very high	84 Å²	84	52.7 Å²	52.7	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.2	-169.8	26.4	-35.6	0	0	0	113.7	G134 E135 V140	G134-P138 WeakPolarHBondContact O-CA 3.28Å; E135-P138 WeakPolarHBondContact O-CD 3.48Å; P138-V140 VanDerWaalsContact C-N 3.33Å
139	E	96.1	Very high	97.4	Very high	186 Å²	186	52.5 Å²	52.5	87%	0.869	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-23.7	176	-60.9	-172.6	167.4	0	0	112.8	Y137	Y137-E139 VanDerWaalsContact C-N 3.25Å; Y137-E139 PolarHBondContact O-N 2.88Å; Y137-E139 VanDerWaalsContact O-N 3.17Å
140	V	95.8	Very high	97.3	Very high	45 Å²	45	55.6 Å²	55.6	27%	0.273	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-41.5	-177.6	-179.1	0	0	0	0	110.6	S28 K31 Y137 P138 T142	S28-V140 VanDerWaalsContact CA-CG1 3.49Å; K31-V140 HydrophobicContact CB-CG1 4.23Å; K31-V140 HydrophobicContact CB-CG2 4.3Å; K31-V140 HydrophobicContact CG-CG1 4.15Å; K31-V140 HydrophobicContact CG-CG2 4.21Å; Y137-V140 PolarHBondContact O-N 3.39Å; P138-V140 VanDerWaalsContact C-N 3.33Å; V140-T142 PolarHBondContact O-N 3.07Å
141	V	97.3	Very high	97.3	Very high	14 Å²	14	56.5 Å²	56.5	9%	0.085	31%	0.313	C	S	.	.	S	Bend	trans	-96	69	-177.9	-171.6	0	0	0	0	109	L133 Y137 V145	L133-V141 HydrophobicContact CB-CG2 4.24Å; L133-V141 WeakPolarHBondContact O-CG2 3.32Å; Y137-V141 PolarHBondContact O-N 3.15Å; V141-V145 HydrophobicContact CG1-CG1 4.39Å
142	T	98	Very high	97.2	Very high	57 Å²	57	53.3 Å²	53.3	35%	0.35	30%	0.299	S	S	.	.			trans	-65.4	167.2	173.2	71.9	0	0	0	0	111.1	V140 E144 V145 G146	V140-T142 PolarHBondContact O-N 3.07Å; T142-E144 PolarHBondContact O-N 3.24Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-V145 PolarHBondContact O-N 3.36Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.3Å; T142-V145 PolarHBondContact OG1-N 2.98Å; T142-G146 PolarHBondContact O-N 3.34Å
143	P	97.4	Very high	97.1	Very high	123 Å²	123	53.5 Å²	53.5	80%	0.799	30%	0.3	S	S	*	.	H	α-helix	trans	-54.8	-35.1	177.8	-28.7	36.5	0	0	0	114.3	A147	P143-A147 PolarHBondContact O-N 3.02Å
144	E	97.6	Very high	97.1	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-68.3	-43.8	176.4	-170.7	177.5	-163.2	0	0	111.4	K20 M24 T142 A147 A148	K20-E144 IonicContact NZ-OE1 3.93Å; K20-E144 PolarHBondContact NZ-OE1 3.43Å; K20-E144 IonicContact NZ-OE2 3.35Å; M24-E144 HydrophobicContact CE-CG 3.78Å; M24-E144 WeakPolarHBondContact CE-OE1 3.06Å; M24-E144 WeakPolarHBondContact CE-OE2 3.32Å; M24-E144 HydrophobicContact SD-CG 3.96Å; T142-E144 PolarHBondContact O-N 3.24Å; T142-E144 VanDerWaalsContact O-N 3.15Å; E144-A147 PolarHBondContact O-N 3.09Å; E144-A148 PolarHBondContact O-N 2.98Å; E144-A148 VanDerWaalsContact O-N 3.16Å
145	V	98.3	Very high	96.9	Very high	14 Å²	14	56.3 Å²	56.3	9%	0.085	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-42.3	176.5	175.3	0	0	0	0	110.6	M24 V141 T142 A147 A148 W149	M24-V145 HydrophobicContact CB-CG2 4.22Å; M24-V145 HydrophobicContact CG-CG2 4.33Å; V141-V145 HydrophobicContact CG1-CG1 4.39Å; T142-V145 PolarHBondContact O-N 3.36Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.3Å; T142-V145 PolarHBondContact OG1-N 2.98Å; V145-A147 VanDerWaalsContact C-N 3.3Å; V145-A147 PolarHBondContact O-N 2.95Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 2.62Å; V145-A148 VanDerWaalsContact O-N 3.13Å; V145-W149 VanDerWaalsContact O-CD1 3.29Å; V145-W149 PolarHBondContact O-N 2.85Å
146	G	98	Very high	96.9	Very high	12 Å²	12	52.8 Å²	52.8	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-36.6	174.9	0	0	0	0	0	113.1	T142 W149 T150	T142-G146 PolarHBondContact O-N 3.34Å; G146-W149 PolarHBondContact O-N 3.11Å; G146-T150 WeakPolarHBondContact O-CB 3.38Å; G146-T150 PolarHBondContact O-N 2.96Å; G146-T150 PolarHBondContact O-OG1 3.01Å
147	A	97.6	Very high	96.9	Very high	51 Å²	51	48.7 Å²	48.7	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-39.6	173.7	0	0	0	0	0	112.1	P143 E144 V145 T150 K151	P143-A147 PolarHBondContact O-N 3.02Å; E144-A147 PolarHBondContact O-N 3.09Å; V145-A147 VanDerWaalsContact C-N 3.3Å; V145-A147 PolarHBondContact O-N 2.95Å; A147-T150 WeakPolarHBondContact O-CB 3.27Å; A147-T150 PolarHBondContact O-N 3.31Å; A147-K151 PolarHBondContact O-N 2.83Å
148	A	98.1	Very high	96.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-46.3	173.4	0	0	0	0	0	111.5	E21 I25 E144 V145 T150 K151 L152	E21-A148 HydrophobicContact CB-CB 3.85Å; E21-A148 HydrophobicContact CG-CB 3.96Å; I25-A148 HydrophobicContact CD1-CB 4.07Å; I25-A148 HydrophobicContact CG1-CB 3.91Å; E144-A148 PolarHBondContact O-N 2.98Å; E144-A148 VanDerWaalsContact O-N 3.16Å; V145-A148 WeakPolarHBondContact O-CB 3.45Å; V145-A148 PolarHBondContact O-N 2.62Å; V145-A148 VanDerWaalsContact O-N 3.13Å; A148-T150 VanDerWaalsContact C-N 3.31Å; A148-T150 PolarHBondContact O-N 3.14Å; A148-K151 WeakPolarHBondContact O-CB 3.39Å; A148-K151 PolarHBondContact O-N 2.75Å; A148-K151 VanDerWaalsContact O-N 3.15Å; A148-L152 PolarHBondContact O-N 3.25Å
149	W	98.3	Very high	96.9	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-41.6	174	-86.3	100.7	0	0	0	112.6	I25 S28 W29 V91 L130 L133 V145 G146 K151 L152 L153	I25-W149 HydrophobicContact CG2-CH2 4.11Å; I25-W149 HydrophobicContact CG2-CZ2 3.89Å; S28-W149 PolarHBondContact OG-NE1 3.08Å; W29-W149 HydrophobicContact CB-CH2 4.29Å; W29-W149 HydrophobicContact CB-CZ2 3.95Å; W29-W149 AromaticContact CD2-CH2 3.98Å; W29-W149 HydrophobicContact CD2-CH2 3.98Å; W29-W149 HydrophobicContact CD2-CZ2 4.38Å; W29-W149 AromaticContact CE3-CH2 3.32Å; W29-W149 HydrophobicContact CE3-CH2 3.32Å; W29-W149 AromaticContact CE3-CZ2 3.74Å; W29-W149 HydrophobicContact CE3-CZ2 3.74Å; W29-W149 HydrophobicContact CE3-CZ3 4.39Å; W29-W149 HydrophobicContact CG-CH2 4.41Å; W29-W149 AromaticContact CZ3-CH2 3.92Å; W29-W149 HydrophobicContact CZ3-CH2 3.92Å; V91-W149 HydrophobicContact CG2-CH2 3.98Å; L130-W149 HydrophobicContact CD1-CB 3.81Å; L133-W149 HydrophobicContact CD1-CD2 4.26Å; L133-W149 HydrophobicContact CD1-CE3 4.36Å; L133-W149 HydrophobicContact CD1-CH2 4.42Å; L133-W149 HydrophobicContact CD1-CZ2 4.29Å; L133-W149 HydrophobicContact CD1-CZ3 4.44Å; V145-W149 VanDerWaalsContact O-CD1 3.29Å; V145-W149 PolarHBondContact O-N 2.85Å; G146-W149 PolarHBondContact O-N 3.11Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.03Å; W149-L152 HydrophobicContact CE3-CD2 4.12Å; W149-L152 HydrophobicContact CZ3-CD2 3.92Å; W149-L152 PolarHBondContact O-N 3.39Å; W149-L153 HydrophobicContact CE3-CD1 4.43Å; W149-L153 HydrophobicContact CE3-CG 4.41Å; W149-L153 WeakPolarHBondContact O-CB 3.28Å; W149-L153 VanDerWaalsContact O-CG 3.3Å; W149-L153 WeakPolarHBondContact O-CG 3.24Å; W149-L153 PolarHBondContact O-N 3.38Å
150	T	97.7	Very high	96.9	Very high	69 Å²	69	37.7 Å²	37.7	42%	0.423	24%	0.238	S	C	.	.	H	α-helix	trans	-56.3	-44.4	175.7	-58.4	0	0	0	0	111.2	L130 G146 A147 A148 A154	L130-T150 VanDerWaalsContact CD2-OG1 3.24Å; L130-T150 WeakPolarHBondContact CD2-OG1 2.93Å; G146-T150 WeakPolarHBondContact O-CB 3.38Å; G146-T150 PolarHBondContact O-N 2.96Å; G146-T150 PolarHBondContact O-OG1 3.01Å; A147-T150 WeakPolarHBondContact O-CB 3.27Å; A147-T150 PolarHBondContact O-N 3.31Å; A148-T150 VanDerWaalsContact C-N 3.31Å; A148-T150 PolarHBondContact O-N 3.14Å; T150-A154 VanDerWaalsContact O-CB 3.3Å; T150-A154 WeakPolarHBondContact O-CB 3.17Å; T150-A154 PolarHBondContact O-N 3.41Å
151	K	96.7	Very high	96.9	Very high	68 Å²	68	39.9 Å²	39.9	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-65.6	-42.9	177.1	-70.5	178.7	178.4	-179.3	0	112.7	L17 E21 A147 A148 W149 A154 T155	L17-K151 HydrophobicContact CD2-CB 3.73Å; L17-K151 HydrophobicContact CD2-CD 4.35Å; E21-K151 WeakPolarHBondContact OE1-CD 3.41Å; E21-K151 WeakPolarHBondContact OE1-CE 3.37Å; E21-K151 IonicContact OE1-NZ 2.77Å; E21-K151 PolarHBondContact OE1-NZ 3.17Å; E21-K151 IonicContact OE2-NZ 3.09Å; A147-K151 PolarHBondContact O-N 2.83Å; A148-K151 WeakPolarHBondContact O-CB 3.39Å; A148-K151 PolarHBondContact O-N 2.75Å; A148-K151 VanDerWaalsContact O-N 3.15Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.03Å; K151-A154 PolarHBondContact O-N 3.02Å; K151-T155 PolarHBondContact O-N 3.06Å; K151-T155 PolarHBondContact O-OG1 2.94Å
152	L	96.8	Very high	96.9	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-50.7	176.3	173.1	59.6	0	0	0	110.9	L17 I25 V91 I94 A148 W149 A154 T155 V156	L17-L152 HydrophobicContact CD1-CB 4.27Å; L17-L152 HydrophobicContact CD1-CD1 4.34Å; I25-L152 HydrophobicContact CD1-CB 3.95Å; I25-L152 HydrophobicContact CD1-CD2 4.23Å; I25-L152 HydrophobicContact CG2-CD2 3.74Å; V91-L152 HydrophobicContact CG2-CD2 4.18Å; I94-L152 HydrophobicContact CD1-CD1 4.04Å; I94-L152 HydrophobicContact CD1-CD2 4.1Å; I94-L152 HydrophobicContact CG1-CD1 4.36Å; A148-L152 PolarHBondContact O-N 3.25Å; W149-L152 HydrophobicContact CE3-CD2 4.12Å; W149-L152 HydrophobicContact CZ3-CD2 3.92Å; W149-L152 PolarHBondContact O-N 3.39Å; L152-A154 VanDerWaalsContact C-N 3.3Å; L152-A154 PolarHBondContact O-N 3.16Å; L152-T155 WeakPolarHBondContact O-CA 3.36Å; L152-T155 VanDerWaalsContact O-CB 3.28Å; L152-T155 WeakPolarHBondContact O-CB 3.5Å; L152-T155 PolarHBondContact O-N 3.3Å; L152-V156 HydrophobicContact CD1-CG2 4.33Å; L152-V156 WeakPolarHBondContact O-CG2 3.14Å; L152-V156 PolarHBondContact O-N 2.89Å
153	L	97.2	Very high	96.8	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-34.6	-178	-68.2	168.1	0	0	0	111.9	S126 I129 L130 W149 V156 C157	S126-L153 WeakPolarHBondContact O-CD1 3.36Å; I129-L153 HydrophobicContact CB-CD1 4.48Å; I129-L153 HydrophobicContact CD1-CD2 4.26Å; I129-L153 HydrophobicContact CG2-CD1 4.24Å; I129-L153 HydrophobicContact CG2-CD2 4.42Å; L130-L153 HydrophobicContact CB-CD1 4.22Å; W149-L153 HydrophobicContact CE3-CD1 4.43Å; W149-L153 HydrophobicContact CE3-CG 4.41Å; W149-L153 WeakPolarHBondContact O-CB 3.28Å; W149-L153 VanDerWaalsContact O-CG 3.3Å; W149-L153 WeakPolarHBondContact O-CG 3.24Å; W149-L153 PolarHBondContact O-N 3.38Å; L153-V156 PolarHBondContact O-N 3.12Å; L153-C157 WeakPolarHBondContact O-CB 3.27Å; L153-C157 PolarHBondContact O-N 3.41Å; L153-C157 PolarHBondContact O-SG 3.02Å; L153-C157 VanDerWaalsContact O-SG 3.33Å
154	A	95.8	Very high	96.9	Very high	40 Å²	40	33.1 Å²	33.1	33%	0.331	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-42.7	170.2	0	0	0	0	0	111.9	P14 T150 K151 L152 C157 S158	P14-A154 HydrophobicContact CB-CB 4.04Å; P14-A154 HydrophobicContact CG-CB 3.97Å; P14-A154 WeakPolarHBondContact CG-O 3.22Å; T150-A154 VanDerWaalsContact O-CB 3.3Å; T150-A154 WeakPolarHBondContact O-CB 3.17Å; T150-A154 PolarHBondContact O-N 3.41Å; K151-A154 PolarHBondContact O-N 3.02Å; L152-A154 VanDerWaalsContact C-N 3.3Å; L152-A154 PolarHBondContact O-N 3.16Å; A154-C157 PolarHBondContact O-N 2.93Å; A154-S158 WeakPolarHBondContact O-CB 3.47Å; A154-S158 PolarHBondContact O-N 2.89Å
155	T	94.4	Very high	96.8	Very high	50 Å²	50	34 Å²	34	31%	0.307	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-45.4	173.6	-58.8	0	0	0	0	111.6	K151 L152 S158 G159	K151-T155 PolarHBondContact O-N 3.06Å; K151-T155 PolarHBondContact O-OG1 2.94Å; L152-T155 WeakPolarHBondContact O-CA 3.36Å; L152-T155 VanDerWaalsContact O-CB 3.28Å; L152-T155 WeakPolarHBondContact O-CB 3.5Å; L152-T155 PolarHBondContact O-N 3.3Å; T155-S158 PolarHBondContact O-N 3Å; T155-G159 PolarHBondContact O-N 3.24Å
156	V	95.6	Very high	96.7	Very high	18 Å²	18	39.4 Å²	39.4	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-51	176.1	171.7	0	0	0	0	111	L90 L104 L152 L153 S158 G159 I160	L90-V156 HydrophobicContact CD1-CG2 4.02Å; L104-V156 HydrophobicContact CD2-CB 4.34Å; L104-V156 HydrophobicContact CD2-CG1 3.9Å; L104-V156 HydrophobicContact CD2-CG2 4.28Å; L152-V156 HydrophobicContact CD1-CG2 4.33Å; L152-V156 WeakPolarHBondContact O-CG2 3.14Å; L152-V156 PolarHBondContact O-N 2.89Å; L153-V156 PolarHBondContact O-N 3.12Å; V156-S158 VanDerWaalsContact C-N 3.32Å; V156-S158 PolarHBondContact O-N 2.95Å; V156-G159 PolarHBondContact O-N 3.43Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 WeakPolarHBondContact O-CG1 3.32Å; V156-I160 PolarHBondContact O-N 2.92Å
157	C	96.3	Very high	96.6	Very high	28 Å²	28	40.8 Å²	40.8	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-44	177.7	-74.7	0	0	0	0	112.2	S126 L153 A154 K161	S126-C157 PolarHBondContact OG-SG 3.08Å; L153-C157 WeakPolarHBondContact O-CB 3.27Å; L153-C157 PolarHBondContact O-N 3.41Å; L153-C157 PolarHBondContact O-SG 3.02Å; L153-C157 VanDerWaalsContact O-SG 3.33Å; A154-C157 PolarHBondContact O-N 2.93Å; C157-K161 WeakPolarHBondContact O-CB 3.27Å; C157-K161 PolarHBondContact O-N 3.04Å
158	S	95.3	Very high	96.5	Very high	56 Å²	56	41 Å²	41	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-45.8	177.9	-178.8	0	0	0	0	111.7	A154 T155 V156 K161 A162	A154-S158 WeakPolarHBondContact O-CB 3.47Å; A154-S158 PolarHBondContact O-N 2.89Å; T155-S158 PolarHBondContact O-N 3Å; V156-S158 VanDerWaalsContact C-N 3.32Å; V156-S158 PolarHBondContact O-N 2.95Å; S158-K161 PolarHBondContact O-N 3.18Å; S158-A162 PolarHBondContact O-N 2.78Å
159	G	95.9	Very high	96.4	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-40.8	178.6	0	0	0	0	0	113.2	T155 V156 A162 V163	T155-G159 PolarHBondContact O-N 3.24Å; V156-G159 PolarHBondContact O-N 3.43Å; G159-A162 PolarHBondContact O-N 3.33Å; G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.32Å; G159-V163 PolarHBondContact O-N 3Å; G159-V163 VanDerWaalsContact O-N 3.07Å
160	I	97.1	Very high	95.6	Very high	3 Å²	3	49 Å²	49	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-43.7	173.9	-66	-66.5	0	0	0	110.7	L104 V107 F122 V156 A162 V163 Y164	L104-I160 HydrophobicContact CB-CD1 4.31Å; L104-I160 HydrophobicContact CD2-CD1 4.17Å; L104-I160 HydrophobicContact CD2-CG1 4.25Å; L104-I160 WeakPolarHBondContact O-CD1 3.22Å; V107-I160 HydrophobicContact CB-CD1 4.09Å; V107-I160 HydrophobicContact CG1-CD1 3.93Å; F122-I160 HydrophobicContact CD1-CG1 4.22Å; F122-I160 HydrophobicContact CD1-CG2 4.09Å; F122-I160 HydrophobicContact CD2-CG2 3.84Å; F122-I160 HydrophobicContact CE1-CD1 4.36Å; F122-I160 HydrophobicContact CE1-CG1 4.28Å; F122-I160 HydrophobicContact CE1-CG2 4.15Å; F122-I160 HydrophobicContact CE2-CG2 3.91Å; F122-I160 HydrophobicContact CG-CG2 3.92Å; F122-I160 HydrophobicContact CZ-CG2 4.05Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 WeakPolarHBondContact O-CG1 3.32Å; V156-I160 PolarHBondContact O-N 2.92Å; I160-A162 VanDerWaalsContact C-N 3.34Å; I160-A162 PolarHBondContact O-N 3.28Å; I160-V163 WeakPolarHBondContact O-CB 3.32Å; I160-V163 PolarHBondContact O-N 3.3Å; I160-V163 VanDerWaalsContact O-N 3.15Å; I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE2 3.68Å; I160-Y164 VanDerWaalsContact O-CD2 3.27Å; I160-Y164 WeakPolarHBondContact O-CD2 3.24Å; I160-Y164 PolarHBondContact O-N 3.2Å
161	K	95.8	Very high	94	Very high	91 Å²	91	53.4 Å²	53.4	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-45.4	176.4	-177.4	179.7	174.8	-177	0	111.8	C157 S158 V163 Y164 E165	C157-K161 WeakPolarHBondContact O-CB 3.27Å; C157-K161 PolarHBondContact O-N 3.04Å; S158-K161 PolarHBondContact O-N 3.18Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 2.93Å; K161-Y164 WeakPolarHBondContact O-CB 3.43Å; K161-Y164 PolarHBondContact O-N 3.11Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; K161-E165 WeakPolarHBondContact CE-OE1 3.49Å; K161-E165 WeakPolarHBondContact O-CG 3.31Å; K161-E165 PolarHBondContact O-N 3.07Å
162	A	96.1	Very high	92.1	Very high	40 Å²	40	58 Å²	58	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-41.9	175.9	0	0	0	0	0	111.8	S158 G159 I160 Y164 E165 E166	S158-A162 PolarHBondContact O-N 2.78Å; G159-A162 PolarHBondContact O-N 3.33Å; I160-A162 VanDerWaalsContact C-N 3.34Å; I160-A162 PolarHBondContact O-N 3.28Å; A162-Y164 VanDerWaalsContact C-N 3.32Å; A162-Y164 PolarHBondContact O-N 3.21Å; A162-E165 WeakPolarHBondContact O-CB 3.49Å; A162-E165 PolarHBondContact O-N 2.86Å; A162-E166 WeakPolarHBondContact O-CG 3.35Å; A162-E166 PolarHBondContact O-N 3.41Å
163	V	97.8	Very high	89.3	Confident	8 Å²	8	62.7 Å²	62.7	5%	0.048	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-37.7	176	174.1	0	0	0	0	111.9	K105 K109 G159 I160 K161 E166 V167	K105-V163 HydrophobicContact CB-CG2 4.26Å; K109-V163 HydrophobicContact CG-CG1 3.76Å; G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.32Å; G159-V163 PolarHBondContact O-N 3Å; G159-V163 VanDerWaalsContact O-N 3.07Å; I160-V163 WeakPolarHBondContact O-CB 3.32Å; I160-V163 PolarHBondContact O-N 3.3Å; I160-V163 VanDerWaalsContact O-N 3.15Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 2.93Å; V163-E166 PolarHBondContact O-N 2.7Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.05Å; V163-V167 VanDerWaalsContact O-N 3.16Å
164	Y	97.6	Very high	86.7	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.016	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-43.5	174.5	-91.6	-117.4	0	0	0	111.5	G108 H111 A112 V117 P119 F122 I160 K161 A162 V167 G168 W169	G108-Y164 WeakPolarHBondContact O-CE2 3.43Å; H111-Y164 HydrophobicContact CB-CE2 4.42Å; H111-Y164 VanDerWaalsContact CB-OH 3.31Å; H111-Y164 WeakPolarHBondContact CB-OH 3.44Å; A112-Y164 HydrophobicContact CB-CD1 3.93Å; A112-Y164 HydrophobicContact CB-CD2 3.94Å; A112-Y164 HydrophobicContact CB-CE1 3.75Å; A112-Y164 HydrophobicContact CB-CE2 3.79Å; A112-Y164 HydrophobicContact CB-CG 4.03Å; A112-Y164 PolarHBondContact N-OH 2.92Å; V117-Y164 VanDerWaalsContact O-CE1 3.22Å; V117-Y164 WeakPolarHBondContact O-CE1 3.31Å; V117-Y164 PolarHBondContact O-OH 3.36Å; P119-Y164 HydrophobicContact CB-CD1 3.76Å; P119-Y164 HydrophobicContact CB-CE1 3.84Å; P119-Y164 HydrophobicContact CB-CG 4.2Å; P119-Y164 HydrophobicContact CG-CD1 3.82Å; P119-Y164 HydrophobicContact CG-CE1 4.04Å; F122-Y164 HydrophobicContact CE2-CE2 4.09Å; F122-Y164 WeakPolarHBondContact CE2-OH 3.28Å; I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE2 3.68Å; I160-Y164 VanDerWaalsContact O-CD2 3.27Å; I160-Y164 WeakPolarHBondContact O-CD2 3.24Å; I160-Y164 PolarHBondContact O-N 3.2Å; K161-Y164 WeakPolarHBondContact O-CB 3.43Å; K161-Y164 PolarHBondContact O-N 3.11Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; A162-Y164 VanDerWaalsContact C-N 3.32Å; A162-Y164 PolarHBondContact O-N 3.21Å; Y164-V167 VanDerWaalsContact O-CG2 3.3Å; Y164-V167 WeakPolarHBondContact O-CG2 3.29Å; Y164-V167 PolarHBondContact O-N 3.14Å; Y164-G168 PolarHBondContact O-N 3.41Å; Y164-W169 HydrophobicContact CD1-CB 3.87Å; Y164-W169 AromaticContact CD1-CD1 3.9Å; Y164-W169 AromaticContact CD1-CD2 3.64Å; Y164-W169 HydrophobicContact CD1-CD2 3.64Å; Y164-W169 HydrophobicContact CD1-CE3 4.1Å; Y164-W169 AromaticContact CD1-CG 3.52Å; Y164-W169 HydrophobicContact CD1-CG 3.52Å; Y164-W169 AromaticContact CE1-CD2 3.84Å; Y164-W169 HydrophobicContact CE1-CD2 3.84Å; Y164-W169 HydrophobicContact CE1-CE3 4.01Å; Y164-W169 HydrophobicContact CE1-CG 4.23Å; Y164-W169 HydrophobicContact CE1-CZ2 4.46Å; Y164-W169 HydrophobicContact CE1-CZ3 4.4Å; Y164-W169 HydrophobicContact CG-CB 4.38Å; Y164-W169 HydrophobicContact CG-CG 4.46Å; Y164-W169 WeakPolarHBondContact O-CB 3.45Å; Y164-W169 PolarHBondContact O-N 3.05Å
165	E	95.9	Very high	83.8	Confident	121 Å²	121	71.6 Å²	71.6	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-63.2	-44.6	174.8	-68.3	167.6	-176.2	0	0	111.4	K161 A162 V167 G168	K161-E165 WeakPolarHBondContact CE-OE1 3.49Å; K161-E165 WeakPolarHBondContact O-CG 3.31Å; K161-E165 PolarHBondContact O-N 3.07Å; A162-E165 WeakPolarHBondContact O-CB 3.49Å; A162-E165 PolarHBondContact O-N 2.86Å; E165-V167 VanDerWaalsContact C-N 3.25Å; E165-V167 PolarHBondContact O-N 2.98Å; E165-G168 PolarHBondContact O-N 3.02Å
166	E	96.5	Very high	81.1	Confident	127 Å²	127	74.8 Å²	74.8	59%	0.593	44%	0.439	S	S	*	.	H	α-helix	trans	-57.3	-35.7	177	-77.8	179.6	-165.5	0	0	113.2	A162 V163 G168	A162-E166 WeakPolarHBondContact O-CG 3.35Å; A162-E166 PolarHBondContact O-N 3.41Å; V163-E166 PolarHBondContact O-N 2.7Å; E166-G168 VanDerWaalsContact C-N 3.28Å
167	V	97.1	Very high	78.3	Confident	40 Å²	40	80.7 Å²	80.7	24%	0.242	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.7	178.8	-57.7	0	0	0	0	113.6	K109 A112 L113 V163 Y164 E165	K109-V167 HydrophobicContact CD-CG1 4.4Å; K109-V167 HydrophobicContact CG-CG1 3.9Å; A112-V167 HydrophobicContact CB-CG2 3.76Å; L113-V167 HydrophobicContact CD1-CB 4.41Å; L113-V167 HydrophobicContact CD1-CG1 4.15Å; L113-V167 HydrophobicContact CD2-CB 4.02Å; L113-V167 HydrophobicContact CD2-CG2 4.09Å; L113-V167 HydrophobicContact CG-CB 4.32Å; L113-V167 HydrophobicContact CG-CG1 4.43Å; L113-V167 HydrophobicContact CG-CG2 4.36Å; V163-V167 WeakPolarHBondContact O-CG2 3.43Å; V163-V167 PolarHBondContact O-N 3.05Å; V163-V167 VanDerWaalsContact O-N 3.16Å; Y164-V167 VanDerWaalsContact O-CG2 3.3Å; Y164-V167 WeakPolarHBondContact O-CG2 3.29Å; Y164-V167 PolarHBondContact O-N 3.14Å; E165-V167 VanDerWaalsContact C-N 3.25Å; E165-V167 PolarHBondContact O-N 2.98Å
168	G	95.5	Very high	77.4	Confident	55 Å²	55	83.4 Å²	83.4	57%	0.567	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	30.3	176.8	0	0	0	0	0	113.8	Y164 E165 E166 T170	Y164-G168 PolarHBondContact O-N 3.41Å; E165-G168 PolarHBondContact O-N 3.02Å; E166-G168 VanDerWaalsContact C-N 3.28Å; G168-T170 PolarHBondContact O-N 2.78Å
169	W	94.4	Very high	76.4	Confident	58 Å²	58	84.8 Å²	84.8	22%	0.22	53%	0.527	C	S	.	.			trans	-66.4	103.6	173.3	-174.9	-84.7	0	0	0	110.3	A112 K116 Y164	A112-W169 HydrophobicContact CB-CE3 4.12Å; A112-W169 VanDerWaalsContact O-CZ3 3.28Å; A112-W169 WeakPolarHBondContact O-CZ3 3.31Å; K116-W169 HydrophobicContact CB-CH2 4.44Å; K116-W169 HydrophobicContact CD-CZ3 4.22Å; Y164-W169 HydrophobicContact CD1-CB 3.87Å; Y164-W169 AromaticContact CD1-CD1 3.9Å; Y164-W169 AromaticContact CD1-CD2 3.64Å; Y164-W169 HydrophobicContact CD1-CD2 3.64Å; Y164-W169 HydrophobicContact CD1-CE3 4.1Å; Y164-W169 AromaticContact CD1-CG 3.52Å; Y164-W169 HydrophobicContact CD1-CG 3.52Å; Y164-W169 AromaticContact CE1-CD2 3.84Å; Y164-W169 HydrophobicContact CE1-CD2 3.84Å; Y164-W169 HydrophobicContact CE1-CE3 4.01Å; Y164-W169 HydrophobicContact CE1-CG 4.23Å; Y164-W169 HydrophobicContact CE1-CZ2 4.46Å; Y164-W169 HydrophobicContact CE1-CZ3 4.4Å; Y164-W169 HydrophobicContact CG-CB 4.38Å; Y164-W169 HydrophobicContact CG-CG 4.46Å; Y164-W169 WeakPolarHBondContact O-CB 3.45Å; Y164-W169 PolarHBondContact O-N 3.05Å
170	T	82.6	Confident	75.3	Confident	111 Å²	111	88.4 Å²	88.4	68%	0.681	55%	0.545	S	S	*	.			trans	-87.7	130.1	166.9	54.7	0	0	0	0	108.4	G168 Q172	G168-T170 PolarHBondContact O-N 2.78Å; T170-Q172 PolarHBondContact O-N 2.94Å
171	Q	64.3	Low	74.1	Confident	162 Å²	162	93.4 Å²	93.4	76%	0.757	58%	0.576	S	S	*	*			trans	-50.9	115.1	167.9	-78.8	-170.3	-12.6	0	0	107.7	S173	Q171-S173 PolarHBondContact O-N 2.92Å
172	Q	55.3	Low	72.7	Confident	166 Å²	166	93.6 Å²	93.6	78%	0.776	59%	0.587	S	S	*	*			trans	-65.6	110.9	168.9	-70.8	-178.5	5.9	0	0	104.7	T170 T174	T170-Q172 PolarHBondContact O-N 2.94Å; Q172-T174 PolarHBondContact O-N 3.02Å
173	S	39.6	Very low	71.2	Confident	111 Å²	111	97.1 Å²	97.1	78%	0.776	60%	0.604	S	S	*	*			trans	-51.9	111.4	167.2	20.5	0	0	0	0	106.2	Q171 S175	Q171-S173 PolarHBondContact O-N 2.92Å; S173-S175 PolarHBondContact O-N 2.74Å
174	T	41.3	Very low	69.2	Low	128 Å²	128	103.5 Å²	103.5	79%	0.785	64%	0.644	S	S	*	*			trans	-64.7	85.9	163.5	51.7	0	0	0	0	105.4	Q172 S176	Q172-T174 PolarHBondContact O-N 3.02Å; T174-S176 PolarHBondContact O-N 2.92Å
175	S	34.7	Very low	67.1	Low	107 Å²	107	111.2 Å²	111.2	75%	0.748	69%	0.692	S	S	*	*			trans	-64.6	94.3	160.6	-179.5	0	0	0	0	105.1	S173 G177	S173-S175 PolarHBondContact O-N 2.74Å; S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.94Å
176	S	39.2	Very low	64.7	Low	116 Å²	116	110.3 Å²	110.3	81%	0.811	70%	0.703	S	S	*	*			trans	-58.6	99.4	161.2	-56.6	0	0	0	0	106.4	T174	T174-S176 PolarHBondContact O-N 2.92Å
177	G	35.4	Very low	61.8	Low	143 Å²	143	108.8 Å²	108.8	100%	1.474	71%	0.713	S	S	*	*			trans	-88.3	0	164.6	0	0	0	0	0	110.4	S175	S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.94Å

Retrieved 177 of 177 residues in 92.5 ms (Link to these results)

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