A0A077ZJN6_TRITR Loading...

ER membrane protein complex subunit 2

Part of the endoplasmic reticulum membrane protein complex (EMC) that enables the energy-independent insertion into endoplasmic reticulum membranes of newly synthesized membrane proteins.

AlphaFold DB , UniProt , Accession A0A077ZJN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	57	Low	79.6	Confident	190 Å²	190	98.9 Å²	98.9	94%	0.936	51%	0.514	S	S	*	.				0	121.4	0	-145.2	-179	-61.4	0	0	105.8	R28	M1-R28 PolarHBondContact SD-NH2 3Å
2	E	61.9	Low	80.8	Confident	171 Å²	171	104 Å²	104	80%	0.799	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-59.6	147.1	-176.5	-70.6	176.4	169.6	0	0	111.2	V4	E2-V4 PolarHBondContact O-N 3.31Å
3	P	74.7	Confident	81.8	Confident	115 Å²	115	102.2 Å²	102.2	75%	0.747	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-60.3	132.5	174.5	25.4	-32.4	0	0	0	109.6	M5	P3-M5 PolarHBondContact O-N 3.18Å
4	V	77.6	Confident	82.8	Confident	42 Å²	42	94.9 Å²	94.9	26%	0.255	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-72.2	118.6	176.4	179.1	0	0	0	0	107.8	E2 V6 L9 L17 W21 T31	E2-V4 PolarHBondContact O-N 3.31Å; V4-V6 VanDerWaalsContact C-N 3.26Å; V4-V6 HydrophobicContact CG1-CG2 4.19Å; V4-V6 PolarHBondContact O-N 3.18Å; V4-L9 HydrophobicContact CG1-CD1 3.83Å; V4-L17 HydrophobicContact CG1-CD2 3.84Å; V4-L17 HydrophobicContact CG2-CD2 4.41Å; V4-W21 HydrophobicContact CG2-CH2 4.39Å; V4-W21 HydrophobicContact CG2-CZ2 4.1Å; V4-T31 HydrophobicContact CB-CG2 4.18Å
5	M	82.9	Confident	83.7	Confident	118 Å²	118	89.7 Å²	89.7	58%	0.581	45%	0.454	S	S	*	.			trans	-76.7	77.8	175.7	-65.3	-64.5	-62.9	0	0	110	P3 D7 K8	P3-M5 PolarHBondContact O-N 3.18Å; M5-D7 VanDerWaalsContact C-N 3.26Å; M5-D7 PolarHBondContact O-N 2.88Å; M5-K8 PolarHBondContact O-N 3.49Å
6	V	83.4	Confident	84.4	Confident	12 Å²	12	88.4 Å²	88.4	7%	0.073	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-53.9	-40.8	-171.1	177.7	0	0	0	0	112.6	V4 K8 L9 T31 E34 I35 A38	V4-V6 VanDerWaalsContact C-N 3.26Å; V4-V6 HydrophobicContact CG1-CG2 4.19Å; V4-V6 PolarHBondContact O-N 3.18Å; V6-K8 PolarHBondContact O-N 3.3Å; V6-L9 WeakPolarHBondContact O-CB 3.28Å; V6-L9 PolarHBondContact O-N 3.31Å; V6-T31 HydrophobicContact CG2-CG2 4.04Å; V6-E34 HydrophobicContact CG1-CB 4.2Å; V6-E34 HydrophobicContact CG2-CB 4.08Å; V6-I35 HydrophobicContact CG1-CB 4.42Å; V6-I35 HydrophobicContact CG1-CG1 3.88Å; V6-I35 HydrophobicContact CG2-CG1 3.97Å; V6-A38 HydrophobicContact CG1-CB 3.91Å
7	D	76.9	Confident	85.1	Confident	147 Å²	147	85.2 Å²	85.2	79%	0.786	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.7	-177.8	-59.7	-30.4	0	0	0	114.4	M5	M5-D7 VanDerWaalsContact C-N 3.26Å; M5-D7 PolarHBondContact O-N 2.88Å
8	K	85.6	Confident	85.7	Confident	171 Å²	171	80.5 Å²	80.5	74%	0.743	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-103	0.6	179.8	-63.5	-175.2	179.3	-179.8	0	113.3	M5 V6	M5-K8 PolarHBondContact O-N 3.49Å; V6-K8 PolarHBondContact O-N 3.3Å
9	L	89.3	Confident	86.2	Confident	37 Å²	37	79.8 Å²	79.8	19%	0.194	40%	0.404	C	S	.	.			trans	-77.3	127.6	-179	-72.2	169.1	0	0	0	111	V4 V6 N13 A14 L17 I35 V39	V4-L9 HydrophobicContact CG1-CD1 3.83Å; V6-L9 WeakPolarHBondContact O-CB 3.28Å; V6-L9 PolarHBondContact O-N 3.31Å; L9-N13 HydrophobicContact CD2-CB 3.96Å; L9-A14 HydrophobicContact CB-CB 4.37Å; L9-L17 HydrophobicContact CD1-CD2 4.2Å; L9-I35 HydrophobicContact CD1-CD1 4.2Å; L9-I35 HydrophobicContact CD1-CG1 4.01Å; L9-V39 HydrophobicContact CB-CG2 4.34Å
10	S	92.8	Very high	86.7	Confident	54 Å²	54	81.1 Å²	81.1	38%	0.378	41%	0.406	S	S	.	.			trans	-70	159.8	163.3	69.7	0	0	0	0	110.2	Y12 N13 A14	S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 3.15Å; S10-N13 PolarHBondContact O-N 2.86Å; S10-N13 WeakPolarHBondContact OG-CB 3.4Å; S10-N13 VanDerWaalsContact OG-CG 3.25Å; S10-N13 PolarHBondContact OG-N 3.18Å; S10-N13 PolarHBondContact OG-ND2 3.33Å; S10-A14 WeakPolarHBondContact O-CB 3.43Å; S10-A14 PolarHBondContact O-N 3.47Å
11	L	93.8	Very high	87.2	Confident	31 Å²	31	77.7 Å²	77.7	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-53.4	-45.6	175	179.9	64.4	0	0	0	111.5	A14 V15 V39 I40 Q43 R46 L47	L11-A14 PolarHBondContact O-N 3.36Å; L11-V15 HydrophobicContact CD1-CG2 4.32Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 3.46Å; L11-V39 HydrophobicContact CB-CG1 4.43Å; L11-V39 HydrophobicContact CD1-CG1 4.4Å; L11-I40 HydrophobicContact CD1-CG1 4.33Å; L11-Q43 HydrophobicContact CD1-CB 4.09Å; L11-Q43 HydrophobicContact CD2-CB 3.94Å; L11-R46 HydrophobicContact CD2-CB 4.34Å; L11-L47 HydrophobicContact CD1-CD1 4.32Å; L11-L47 HydrophobicContact CD1-CD2 4.36Å; L11-L47 HydrophobicContact CD2-CD2 4Å; L11-L47 HydrophobicContact CG-CD2 4.18Å
12	Y	93.5	Very high	89	Confident	160 Å²	160	71.9 Å²	71.9	63%	0.627	36%	0.357	S	S	*	.	H	α-helix	trans	-59.7	-47.8	178.3	179.7	-103.3	0	0	0	112.2	S10 A14 V15 L16	S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 3.15Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 2.93Å; Y12-V15 PolarHBondContact O-N 3.01Å; Y12-L16 HydrophobicContact CD1-CD1 3.85Å; Y12-L16 HydrophobicContact CE1-CD1 3.27Å; Y12-L16 HydrophobicContact CE1-CG 4.21Å; Y12-L16 HydrophobicContact CE2-CD1 4.22Å; Y12-L16 HydrophobicContact CE2-CG 4.41Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.49Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 2.86Å
13	N	94.5	Very high	90.6	Very high	81 Å²	81	71 Å²	71	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-34.9	179.6	-69.2	-14.6	0	0	0	112.2	L9 S10 L17	L9-N13 HydrophobicContact CD2-CB 3.96Å; S10-N13 PolarHBondContact O-N 2.86Å; S10-N13 WeakPolarHBondContact OG-CB 3.4Å; S10-N13 VanDerWaalsContact OG-CG 3.25Å; S10-N13 PolarHBondContact OG-N 3.18Å; S10-N13 PolarHBondContact OG-ND2 3.33Å; N13-L17 VanDerWaalsContact O-CB 3.24Å; N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 PolarHBondContact O-N 3.37Å
14	A	95.4	Very high	91.6	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-45.8	175	0	0	0	0	0	111.5	L9 S10 L11 Y12 L17 L18 I35 V39 I40	L9-A14 HydrophobicContact CB-CB 4.37Å; S10-A14 WeakPolarHBondContact O-CB 3.43Å; S10-A14 PolarHBondContact O-N 3.47Å; L11-A14 PolarHBondContact O-N 3.36Å; Y12-A14 VanDerWaalsContact C-N 3.34Å; Y12-A14 PolarHBondContact O-N 2.93Å; A14-L17 PolarHBondContact O-N 2.97Å; A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 3.33Å; A14-I35 HydrophobicContact CB-CG2 3.71Å; A14-V39 HydrophobicContact CB-CB 4.4Å; A14-V39 HydrophobicContact CB-CG1 3.98Å; A14-I40 HydrophobicContact CB-CD1 4.34Å; A14-I40 HydrophobicContact CB-CG1 4.26Å
15	V	95.9	Very high	92.3	Very high	16 Å²	16	72 Å²	72	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-49.1	177.7	172.3	0	0	0	0	111	L11 Y12 L17 L18 E19 L47 E50 I54	L11-V15 HydrophobicContact CD1-CG2 4.32Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 3.46Å; Y12-V15 PolarHBondContact O-N 3.01Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.35Å; V15-L18 PolarHBondContact O-N 2.94Å; V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 3.16Å; V15-L47 HydrophobicContact CG2-CD1 3.6Å; V15-L47 HydrophobicContact CG2-CD2 3.89Å; V15-L47 HydrophobicContact CG2-CG 4.43Å; V15-E50 HydrophobicContact CG1-CG 3.7Å; V15-I54 HydrophobicContact CG1-CD1 4.31Å; V15-I54 HydrophobicContact CG2-CD1 3.92Å
16	L	95.4	Very high	92.8	Very high	69 Å²	69	68.4 Å²	68.4	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-38.6	177	-75.4	-179.2	0	0	0	112.8	Y12 K20	Y12-L16 HydrophobicContact CD1-CD1 3.85Å; Y12-L16 HydrophobicContact CE1-CD1 3.27Å; Y12-L16 HydrophobicContact CE1-CG 4.21Å; Y12-L16 HydrophobicContact CE2-CD1 4.22Å; Y12-L16 HydrophobicContact CE2-CG 4.41Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.49Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 2.86Å; L16-K20 VanDerWaalsContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.99Å
17	L	95.5	Very high	93.3	Very high	35 Å²	35	76.6 Å²	76.6	18%	0.183	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-43.8	177.6	-179.5	61.7	0	0	0	111.4	V4 L9 N13 A14 V15 K20 W21 I35	V4-L17 HydrophobicContact CG1-CD2 3.84Å; V4-L17 HydrophobicContact CG2-CD2 4.41Å; L9-L17 HydrophobicContact CD1-CD2 4.2Å; N13-L17 VanDerWaalsContact O-CB 3.24Å; N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 PolarHBondContact O-N 3.37Å; A14-L17 PolarHBondContact O-N 2.97Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.35Å; L17-K20 PolarHBondContact O-N 3.06Å; L17-W21 HydrophobicContact CD1-CD2 4.44Å; L17-W21 HydrophobicContact CD1-CZ2 3.87Å; L17-W21 HydrophobicContact CD2-CH2 4.05Å; L17-W21 HydrophobicContact CD2-CZ2 3.93Å; L17-W21 HydrophobicContact CG-CD2 4.34Å; L17-W21 HydrophobicContact CG-CH2 4.27Å; L17-W21 HydrophobicContact CG-CZ2 3.9Å; L17-W21 PolarHBondContact O-N 3.06Å; L17-I35 HydrophobicContact CD2-CD1 3.86Å
18	L	96.4	Very high	94.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-42.5	176.5	-74.9	-166.7	0	0	0	111.7	A14 V15 W21 R22 V32 I35 I40 I54 Q57	A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 3.33Å; V15-L18 PolarHBondContact O-N 2.94Å; L18-W21 HydrophobicContact CD2-CE3 3.97Å; L18-W21 HydrophobicContact CD2-CZ3 4.19Å; L18-W21 PolarHBondContact O-N 3.21Å; L18-R22 WeakPolarHBondContact O-CG 3.29Å; L18-R22 PolarHBondContact O-N 3.19Å; L18-V32 HydrophobicContact CD2-CB 4.43Å; L18-V32 HydrophobicContact CD2-CG1 4.27Å; L18-V32 HydrophobicContact CD2-CG2 3.86Å; L18-I35 HydrophobicContact CD2-CD1 4.26Å; L18-I40 HydrophobicContact CD1-CD1 3.31Å; L18-I40 HydrophobicContact CG-CD1 4.28Å; L18-I54 HydrophobicContact CD1-CG1 4.39Å; L18-I54 HydrophobicContact CD1-CG2 4.08Å; L18-Q57 PolarHBondContact O-NE2 3.39Å; L18-Q57 PolarHBondContact O-OE1 2.87Å
19	E	96.2	Very high	94.6	Very high	67 Å²	67	66.1 Å²	66.1	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-57.5	-52.5	173.9	-177.6	175	-159.7	0	0	111.3	V15 W21 R22 E23	V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 3.16Å; E19-W21 VanDerWaalsContact C-N 3.28Å; E19-W21 PolarHBondContact O-N 3.2Å; E19-R22 WeakPolarHBondContact O-CB 3.4Å; E19-R22 PolarHBondContact O-N 3.07Å; E19-E23 PolarHBondContact O-N 3.23Å
20	K	96.2	Very high	95	Very high	106 Å²	106	71 Å²	71	46%	0.461	35%	0.346	S	S	.	.	H	α-helix	trans	-53	-44.9	175	-179.3	178.6	180	177.4	0	112.1	L16 L17 R22 E23 E24	L16-K20 VanDerWaalsContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.99Å; L17-K20 PolarHBondContact O-N 3.06Å; K20-R22 VanDerWaalsContact C-N 3.34Å; K20-R22 PolarHBondContact O-N 3.04Å; K20-E23 PolarHBondContact O-N 2.65Å; K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 WeakPolarHBondContact CE-OE2 3.49Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.53Å; K20-E24 WeakPolarHBondContact O-CB 3.43Å; K20-E24 WeakPolarHBondContact O-CG 3.24Å; K20-E24 PolarHBondContact O-N 3Å
21	W	96.1	Very high	95.1	Very high	9 Å²	9	69.8 Å²	69.8	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-67	-32.1	178.3	-72.7	-9.4	0	0	0	113.7	V4 L17 L18 E19 G25 V26 R28 T31 V32 I35	V4-W21 HydrophobicContact CG2-CH2 4.39Å; V4-W21 HydrophobicContact CG2-CZ2 4.1Å; L17-W21 HydrophobicContact CD1-CD2 4.44Å; L17-W21 HydrophobicContact CD1-CZ2 3.87Å; L17-W21 HydrophobicContact CD2-CH2 4.05Å; L17-W21 HydrophobicContact CD2-CZ2 3.93Å; L17-W21 HydrophobicContact CG-CD2 4.34Å; L17-W21 HydrophobicContact CG-CH2 4.27Å; L17-W21 HydrophobicContact CG-CZ2 3.9Å; L17-W21 PolarHBondContact O-N 3.06Å; L18-W21 HydrophobicContact CD2-CE3 3.97Å; L18-W21 HydrophobicContact CD2-CZ3 4.19Å; L18-W21 PolarHBondContact O-N 3.21Å; E19-W21 VanDerWaalsContact C-N 3.28Å; E19-W21 PolarHBondContact O-N 3.2Å; W21-G25 PolarHBondContact O-N 3.34Å; W21-G25 VanDerWaalsContact O-N 3.11Å; W21-V26 HydrophobicContact CB-CB 4.07Å; W21-V26 HydrophobicContact CD2-CG1 4.47Å; W21-V26 HydrophobicContact CG-CB 3.98Å; W21-V26 HydrophobicContact CG-CG1 4.09Å; W21-V26 PolarHBondContact O-N 3.13Å; W21-R28 HydrophobicContact CE3-CB 4.44Å; W21-R28 HydrophobicContact CH2-CB 4.41Å; W21-R28 HydrophobicContact CZ3-CB 4.2Å; W21-T31 HydrophobicContact CH2-CG2 3.66Å; W21-T31 HydrophobicContact CZ3-CG2 4.27Å; W21-V32 HydrophobicContact CE3-CG2 3.76Å; W21-V32 HydrophobicContact CZ3-CG2 3.78Å; W21-I35 HydrophobicContact CH2-CD1 3.98Å; W21-I35 HydrophobicContact CZ3-CD1 3.9Å
22	R	95.3	Very high	95.3	Very high	69 Å²	69	68.6 Å²	68.6	26%	0.26	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-44.2	172.9	-66.9	-173.4	-54.6	-107.4	6	111.2	L18 E19 K20 G25 E50 Q57	L18-R22 WeakPolarHBondContact O-CG 3.29Å; L18-R22 PolarHBondContact O-N 3.19Å; E19-R22 WeakPolarHBondContact O-CB 3.4Å; E19-R22 PolarHBondContact O-N 3.07Å; K20-R22 VanDerWaalsContact C-N 3.34Å; K20-R22 PolarHBondContact O-N 3.04Å; R22-G25 PolarHBondContact O-N 3.19Å; R22-E50 IonicContact CZ-OE1 3.51Å; R22-E50 VanDerWaalsContact CZ-OE1 3.27Å; R22-E50 IonicContact NH1-OE1 2.75Å; R22-E50 PolarHBondContact NH1-OE1 3.28Å; R22-E50 IonicContact NH2-OE1 3.55Å; R22-E50 PolarHBondContact NH2-OE1 2.97Å; R22-E50 IonicContact NH2-OE2 3.54Å; R22-Q57 VanDerWaalsContact CD-OE1 3.24Å; R22-Q57 HydrophobicContact CG-CB 4.46Å; R22-Q57 HydrophobicContact CG-CG 4.1Å; R22-Q57 VanDerWaalsContact CG-OE1 3.26Å
23	E	95.4	Very high	95.5	Very high	152 Å²	152	61.7 Å²	61.7	71%	0.71	30%	0.304	S	S	*	.	H	α-helix	trans	-66.9	-41.7	-179.5	-67.1	-176.4	158.8	0	0	112.4	E19 K20 G25	E19-E23 PolarHBondContact O-N 3.23Å; K20-E23 PolarHBondContact O-N 2.65Å; E23-G25 VanDerWaalsContact C-N 3.29Å; E23-G25 PolarHBondContact O-N 3.06Å
24	E	95.8	Very high	95.5	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.3	179.1	-66.9	179.4	166.7	0	0	113.3	K20 V26	K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 WeakPolarHBondContact CE-OE2 3.49Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.53Å; K20-E24 WeakPolarHBondContact O-CB 3.43Å; K20-E24 WeakPolarHBondContact O-CG 3.24Å; K20-E24 PolarHBondContact O-N 3Å; E24-V26 VanDerWaalsContact C-N 3.27Å; E24-V26 HydrophobicContact CB-CG2 3.7Å; E24-V26 PolarHBondContact O-N 3.11Å
25	G	92.3	Very high	95.6	Very high	64 Å²	64	62.6 Å²	62.6	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.2	-176	0	0	0	0	0	113.8	W21 R22 E23 R27	W21-G25 PolarHBondContact O-N 3.34Å; W21-G25 VanDerWaalsContact O-N 3.11Å; R22-G25 PolarHBondContact O-N 3.19Å; E23-G25 VanDerWaalsContact C-N 3.29Å; E23-G25 PolarHBondContact O-N 3.06Å; G25-R27 PolarHBondContact O-N 3.17Å
26	V	93.8	Very high	95.6	Very high	42 Å²	42	62.1 Å²	62.1	26%	0.255	30%	0.303	S	S	.	.			trans	-76.6	115.8	-176.7	174.7	0	0	0	0	110.2	W21 E24 R28	W21-V26 HydrophobicContact CB-CB 4.07Å; W21-V26 HydrophobicContact CD2-CG1 4.47Å; W21-V26 HydrophobicContact CG-CB 3.98Å; W21-V26 HydrophobicContact CG-CG1 4.09Å; W21-V26 PolarHBondContact O-N 3.13Å; E24-V26 VanDerWaalsContact C-N 3.27Å; E24-V26 HydrophobicContact CB-CG2 3.7Å; E24-V26 PolarHBondContact O-N 3.11Å; V26-R28 HydrophobicContact CG1-CG 3.86Å; V26-R28 PolarHBondContact O-N 2.8Å
27	R	92.5	Very high	95.6	Very high	184 Å²	184	62.2 Å²	62.2	69%	0.694	30%	0.304	S	S	*	.			trans	-92.9	100.6	179.3	-165	171.3	-168.2	156.3	0.4	111.6	G25 D64	G25-R27 PolarHBondContact O-N 3.17Å; R27-D64 IonicContact CZ-OD1 3.12Å; R27-D64 IonicContact CZ-OD2 2.81Å; R27-D64 VanDerWaalsContact CZ-OD2 3.24Å; R27-D64 IonicContact NE-OD1 3.3Å; R27-D64 IonicContact NE-OD2 3.1Å; R27-D64 PolarHBondContact NE-OD2 2.93Å; R27-D64 IonicContact NH2-OD1 3.29Å; R27-D64 PolarHBondContact NH2-OD1 2.93Å; R27-D64 IonicContact NH2-OD2 3.88Å; R27-D64 PolarHBondContact NH2-OD2 2.8Å
28	R	94.9	Very high	95.6	Very high	67 Å²	67	63 Å²	63	25%	0.253	31%	0.314	S	S	.	.			trans	-132.9	69.2	177.4	-72.1	-179.1	171.5	-163.7	-8.7	111.5	M1 W21 V26 E30 T31 V32	M1-R28 PolarHBondContact SD-NH2 3Å; W21-R28 HydrophobicContact CE3-CB 4.44Å; W21-R28 HydrophobicContact CH2-CB 4.41Å; W21-R28 HydrophobicContact CZ3-CB 4.2Å; V26-R28 HydrophobicContact CG1-CG 3.86Å; V26-R28 PolarHBondContact O-N 2.8Å; R28-E30 PolarHBondContact O-N 3.46Å; R28-T31 PolarHBondContact O-N 3.26Å; R28-V32 VanDerWaalsContact O-CG2 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.39Å; R28-V32 PolarHBondContact O-N 3.27Å
29	P	96.5	Very high	95.5	Very high	31 Å²	31	63.6 Å²	63.6	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-40.3	-168.2	27.2	-35.8	0	0	0	112.5	V32 L33 A61 D64	P29-V32 PolarHBondContact O-N 2.94Å; P29-L33 WeakPolarHBondContact O-CG 3.07Å; P29-L33 PolarHBondContact O-N 3.25Å; P29-A61 HydrophobicContact CB-CB 3.92Å; P29-D64 HydrophobicContact CB-CB 3.59Å; P29-D64 HydrophobicContact CG-CB 3.89Å
30	E	96.5	Very high	95.5	Very high	140 Å²	140	60.4 Å²	60.4	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-59.8	-52.3	177.9	-64.7	174	177.7	0	0	111.7	R28 V32 L33 E34	R28-E30 PolarHBondContact O-N 3.46Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 2.99Å; E30-L33 WeakPolarHBondContact O-CB 2.83Å; E30-L33 PolarHBondContact O-N 3.46Å; E30-L33 VanDerWaalsContact O-N 3.09Å; E30-E34 WeakPolarHBondContact O-CG 3.38Å; E30-E34 PolarHBondContact O-N 2.99Å
31	T	95.7	Very high	95.4	Very high	29 Å²	29	60.7 Å²	60.7	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-33.7	179.7	-41.4	0	0	0	0	112.3	V4 V6 W21 R28 L33 E34 I35	V4-T31 HydrophobicContact CB-CG2 4.18Å; V6-T31 HydrophobicContact CG2-CG2 4.04Å; W21-T31 HydrophobicContact CH2-CG2 3.66Å; W21-T31 HydrophobicContact CZ3-CG2 4.27Å; R28-T31 PolarHBondContact O-N 3.26Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.01Å; T31-E34 PolarHBondContact O-N 3.41Å; T31-I35 HydrophobicContact CG2-CD1 4.25Å; T31-I35 VanDerWaalsContact O-CG1 3.25Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.4Å
32	V	97.1	Very high	95.3	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-42	172.4	170	0	0	0	0	110.6	L18 W21 R28 P29 E30 I35 W36 Q57 V58 A61	L18-V32 HydrophobicContact CD2-CB 4.43Å; L18-V32 HydrophobicContact CD2-CG1 4.27Å; L18-V32 HydrophobicContact CD2-CG2 3.86Å; W21-V32 HydrophobicContact CE3-CG2 3.76Å; W21-V32 HydrophobicContact CZ3-CG2 3.78Å; R28-V32 VanDerWaalsContact O-CG2 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.39Å; R28-V32 PolarHBondContact O-N 3.27Å; P29-V32 PolarHBondContact O-N 2.94Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 2.99Å; V32-I35 PolarHBondContact O-N 2.81Å; V32-W36 VanDerWaalsContact O-CB 3.31Å; V32-W36 WeakPolarHBondContact O-CB 3.42Å; V32-W36 PolarHBondContact O-N 2.88Å; V32-Q57 HydrophobicContact CG1-CG 4.4Å; V32-V58 HydrophobicContact CG1-CG2 4.03Å; V32-A61 HydrophobicContact CB-CB 3.82Å; V32-A61 HydrophobicContact CG1-CB 3.61Å
33	L	97.1	Very high	95.3	Very high	14 Å²	14	67.6 Å²	67.6	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-69.8	-35.3	176.9	-68	179.2	0	0	0	112.9	P29 E30 T31 W36 N37 V58 A61 A62 C65 N67 V70	P29-L33 WeakPolarHBondContact O-CG 3.07Å; P29-L33 PolarHBondContact O-N 3.25Å; E30-L33 WeakPolarHBondContact O-CB 2.83Å; E30-L33 PolarHBondContact O-N 3.46Å; E30-L33 VanDerWaalsContact O-N 3.09Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.01Å; L33-W36 PolarHBondContact O-N 3.46Å; L33-N37 WeakPolarHBondContact O-CB 3.1Å; L33-N37 PolarHBondContact O-N 3.41Å; L33-N37 PolarHBondContact O-ND2 2.94Å; L33-V58 HydrophobicContact CD2-CG1 4.16Å; L33-A61 HydrophobicContact CD2-CB 4.45Å; L33-A61 HydrophobicContact CG-CB 4.34Å; L33-A62 HydrophobicContact CD2-CB 4Å; L33-C65 HydrophobicContact CD1-CB 3.5Å; L33-C65 VanDerWaalsContact CD1-CB 3.5Å; L33-N67 HydrophobicContact CD1-CB 4.32Å; L33-V70 HydrophobicContact CD2-CG1 4.01Å
34	E	96.2	Very high	95.2	Very high	101 Å²	101	60.8 Å²	60.8	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-51.3	171.9	-70.4	171.3	175.8	0	0	110.9	V6 E30 T31 W36 N37 A38	V6-E34 HydrophobicContact CG1-CB 4.2Å; V6-E34 HydrophobicContact CG2-CB 4.08Å; E30-E34 WeakPolarHBondContact O-CG 3.38Å; E30-E34 PolarHBondContact O-N 2.99Å; T31-E34 PolarHBondContact O-N 3.41Å; E34-W36 VanDerWaalsContact C-N 3.31Å; E34-W36 PolarHBondContact O-N 2.95Å; E34-N37 PolarHBondContact O-N 3.3Å; E34-A38 VanDerWaalsContact O-CB 3.25Å; E34-A38 WeakPolarHBondContact O-CB 3.25Å; E34-A38 PolarHBondContact O-N 2.92Å
35	I	96.3	Very high	95.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-42.4	177.4	-65.8	166.7	0	0	0	110.8	V6 L9 A14 L17 L18 W21 T31 V32 V39 I40	V6-I35 HydrophobicContact CG1-CB 4.42Å; V6-I35 HydrophobicContact CG1-CG1 3.88Å; V6-I35 HydrophobicContact CG2-CG1 3.97Å; L9-I35 HydrophobicContact CD1-CD1 4.2Å; L9-I35 HydrophobicContact CD1-CG1 4.01Å; A14-I35 HydrophobicContact CB-CG2 3.71Å; L17-I35 HydrophobicContact CD2-CD1 3.86Å; L18-I35 HydrophobicContact CD2-CD1 4.26Å; W21-I35 HydrophobicContact CH2-CD1 3.98Å; W21-I35 HydrophobicContact CZ3-CD1 3.9Å; T31-I35 HydrophobicContact CG2-CD1 4.25Å; T31-I35 VanDerWaalsContact O-CG1 3.25Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.4Å; V32-I35 PolarHBondContact O-N 2.81Å; I35-V39 PolarHBondContact O-N 2.81Å; I35-I40 HydrophobicContact CG2-CD1 3.69Å; I35-I40 HydrophobicContact CG2-CG1 4.07Å; I35-I40 PolarHBondContact O-N 3.12Å
36	W	96.8	Very high	95.2	Very high	6 Å²	6	67.2 Å²	67.2	2%	0.023	32%	0.318	C	S	.	.	I	π-helix	trans	-56.7	-53.1	175.4	170.5	-108.2	0	0	0	111.4	V32 L33 E34 I40 K41 I44 I54 Y55 V58	V32-W36 VanDerWaalsContact O-CB 3.31Å; V32-W36 WeakPolarHBondContact O-CB 3.42Å; V32-W36 PolarHBondContact O-N 2.88Å; L33-W36 PolarHBondContact O-N 3.46Å; E34-W36 VanDerWaalsContact C-N 3.31Å; E34-W36 PolarHBondContact O-N 2.95Å; W36-I40 HydrophobicContact CE3-CB 4.05Å; W36-I40 HydrophobicContact CE3-CG2 3.69Å; W36-I40 HydrophobicContact CZ3-CG2 3.75Å; W36-I40 PolarHBondContact O-N 2.93Å; W36-K41 HydrophobicContact CD2-CB 4.07Å; W36-K41 HydrophobicContact CE3-CB 4.49Å; W36-K41 HydrophobicContact CH2-CB 4.45Å; W36-K41 HydrophobicContact CZ2-CB 4.03Å; W36-K41 HydrophobicContact CZ2-CG 3.92Å; W36-K41 WeakPolarHBondContact O-CB 3.25Å; W36-K41 PolarHBondContact O-N 3.28Å; W36-I44 HydrophobicContact CH2-CG1 4.29Å; W36-I44 HydrophobicContact CZ3-CB 4.49Å; W36-I44 HydrophobicContact CZ3-CD1 4.01Å; W36-I44 HydrophobicContact CZ3-CG1 4.13Å; W36-I54 HydrophobicContact CE3-CG2 4.45Å; W36-I54 HydrophobicContact CZ3-CG2 4.43Å; W36-Y55 HydrophobicContact CH2-CD1 4.03Å; W36-Y55 AromaticContact CH2-CE1 3.61Å; W36-Y55 HydrophobicContact CH2-CE1 3.61Å; W36-Y55 HydrophobicContact CZ2-CE1 4.41Å; W36-Y55 HydrophobicContact CZ3-CE1 4.38Å; W36-V58 HydrophobicContact CB-CG1 4.06Å; W36-V58 HydrophobicContact CB-CG2 3.97Å; W36-V58 HydrophobicContact CD2-CB 4.39Å; W36-V58 HydrophobicContact CD2-CG1 3.68Å; W36-V58 HydrophobicContact CD2-CG2 4Å; W36-V58 HydrophobicContact CE3-CB 4.39Å; W36-V58 HydrophobicContact CE3-CG1 4.16Å; W36-V58 HydrophobicContact CE3-CG2 3.73Å; W36-V58 HydrophobicContact CG-CG1 3.61Å; W36-V58 HydrophobicContact CG-CG2 4.11Å
37	N	95.5	Very high	95.1	Very high	71 Å²	71	66.3 Å²	66.3	38%	0.38	31%	0.311	S	S	.	.	I	π-helix	trans	-71.2	-38.7	-175.2	-72.5	-48.8	0	0	0	113	L33 E34	L33-N37 WeakPolarHBondContact O-CB 3.1Å; L33-N37 PolarHBondContact O-N 3.41Å; L33-N37 PolarHBondContact O-ND2 2.94Å; E34-N37 PolarHBondContact O-N 3.3Å
38	A	94.6	Very high	95	Very high	50 Å²	50	64 Å²	64	41%	0.413	31%	0.313	S	S	.	.	I	π-helix	trans	-80.2	-39.4	-174.7	0	0	0	0	0	113.4	V6 E34	V6-A38 HydrophobicContact CG1-CB 3.91Å; E34-A38 VanDerWaalsContact O-CB 3.25Å; E34-A38 WeakPolarHBondContact O-CB 3.25Å; E34-A38 PolarHBondContact O-N 2.92Å
39	V	94.3	Very high	95	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.085	33%	0.328	C	S	.	.	I	π-helix	trans	-119.2	-53.3	-168	-176.2	0	0	0	0	112.1	L9 L11 A14 I35 Q43	L9-V39 HydrophobicContact CB-CG2 4.34Å; L11-V39 HydrophobicContact CB-CG1 4.43Å; L11-V39 HydrophobicContact CD1-CG1 4.4Å; A14-V39 HydrophobicContact CB-CB 4.4Å; A14-V39 HydrophobicContact CB-CG1 3.98Å; I35-V39 PolarHBondContact O-N 2.81Å; V39-Q43 PolarHBondContact O-NE2 3.46Å
40	I	95.6	Very high	94.9	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-83	-44	-162.4	-63.5	178.1	0	0	0	112.6	L11 A14 L18 I35 W36 Q42 Q43 I44 L47 I54	L11-I40 HydrophobicContact CD1-CG1 4.33Å; A14-I40 HydrophobicContact CB-CD1 4.34Å; A14-I40 HydrophobicContact CB-CG1 4.26Å; L18-I40 HydrophobicContact CD1-CD1 3.31Å; L18-I40 HydrophobicContact CG-CD1 4.28Å; I35-I40 HydrophobicContact CG2-CD1 3.69Å; I35-I40 HydrophobicContact CG2-CG1 4.07Å; I35-I40 PolarHBondContact O-N 3.12Å; W36-I40 HydrophobicContact CE3-CB 4.05Å; W36-I40 HydrophobicContact CE3-CG2 3.69Å; W36-I40 HydrophobicContact CZ3-CG2 3.75Å; W36-I40 PolarHBondContact O-N 2.93Å; I40-Q42 PolarHBondContact O-N 3.42Å; I40-Q43 CarbonylContact O-C 3.28Å; I40-Q43 PolarHBondContact O-N 3.21Å; I40-I44 HydrophobicContact CG2-CB 4.47Å; I40-I44 HydrophobicContact CG2-CD1 3.72Å; I40-I44 PolarHBondContact O-N 3.49Å; I40-L47 HydrophobicContact CG2-CD1 4.47Å; I40-I54 HydrophobicContact CD1-CG2 4.24Å; I40-I54 HydrophobicContact CG2-CG2 4.02Å
41	K	95.5	Very high	94.8	Very high	112 Å²	112	62.3 Å²	62.3	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.7	-170.3	178.6	-178.1	179.3	-176.8	0	113.5	W36	W36-K41 HydrophobicContact CD2-CB 4.07Å; W36-K41 HydrophobicContact CE3-CB 4.49Å; W36-K41 HydrophobicContact CH2-CB 4.45Å; W36-K41 HydrophobicContact CZ2-CB 4.03Å; W36-K41 HydrophobicContact CZ2-CG 3.92Å; W36-K41 WeakPolarHBondContact O-CB 3.25Å; W36-K41 PolarHBondContact O-N 3.28Å
42	Q	93	Very high	94.9	Very high	168 Å²	168	62.7 Å²	62.7	79%	0.785	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.4	-178.8	-61.2	-179.4	8.8	0	0	113.5	I40	I40-Q42 PolarHBondContact O-N 3.42Å
43	Q	94.9	Very high	94.8	Very high	55 Å²	55	65.1 Å²	65.1	26%	0.257	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	7.7	-172.7	-60.9	-175.5	65.9	0	0	112.6	L11 V39 I40 D45 R46	L11-Q43 HydrophobicContact CD1-CB 4.09Å; L11-Q43 HydrophobicContact CD2-CB 3.94Å; V39-Q43 PolarHBondContact O-NE2 3.46Å; I40-Q43 CarbonylContact O-C 3.28Å; I40-Q43 PolarHBondContact O-N 3.21Å; Q43-D45 PolarHBondContact O-N 3.11Å; Q43-D45 VanDerWaalsContact O-N 3.16Å; Q43-R46 VanDerWaalsContact O-CB 3.28Å; Q43-R46 WeakPolarHBondContact O-CB 3.42Å; Q43-R46 PolarHBondContact O-N 3.46Å
44	I	94.5	Very high	94.8	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.041	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.2	-174.7	-168.7	57.4	0	0	0	112.5	W36 I40 R46 L47 K51 I54 Y55	W36-I44 HydrophobicContact CH2-CG1 4.29Å; W36-I44 HydrophobicContact CZ3-CB 4.49Å; W36-I44 HydrophobicContact CZ3-CD1 4.01Å; W36-I44 HydrophobicContact CZ3-CG1 4.13Å; I40-I44 HydrophobicContact CG2-CB 4.47Å; I40-I44 HydrophobicContact CG2-CD1 3.72Å; I40-I44 PolarHBondContact O-N 3.49Å; I44-R46 PolarHBondContact O-N 3.01Å; I44-L47 HydrophobicContact CD1-CD1 4.11Å; I44-L47 WeakPolarHBondContact O-CB 3.27Å; I44-L47 PolarHBondContact O-N 3.33Å; I44-L47 VanDerWaalsContact O-N 3.15Å; I44-K51 HydrophobicContact CD1-CB 3.55Å; I44-K51 HydrophobicContact CG1-CB 4Å; I44-I54 HydrophobicContact CD1-CG2 4.29Å; I44-Y55 HydrophobicContact CD1-CE2 4.4Å; I44-Y55 HydrophobicContact CG1-CE1 4.27Å; I44-Y55 HydrophobicContact CG1-CE2 3.79Å
45	D	93.8	Very high	94.9	Very high	131 Å²	131	60.9 Å²	60.9	70%	0.701	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.1	178	-67.2	-40.7	0	0	0	113.5	Q43 L47	Q43-D45 PolarHBondContact O-N 3.11Å; Q43-D45 VanDerWaalsContact O-N 3.16Å; D45-L47 PolarHBondContact O-N 3.38Å
46	R	93.7	Very high	94.9	Very high	183 Å²	183	62.2 Å²	62.2	69%	0.691	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-76	-12	173.4	-59.4	-177.9	174.4	177.1	-7.4	112.8	L11 Q43 I44	L11-R46 HydrophobicContact CD2-CB 4.34Å; Q43-R46 VanDerWaalsContact O-CB 3.28Å; Q43-R46 WeakPolarHBondContact O-CB 3.42Å; Q43-R46 PolarHBondContact O-N 3.46Å; I44-R46 PolarHBondContact O-N 3.01Å
47	L	92.2	Very high	95	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.115	31%	0.305	C	S	.	.			trans	-95.8	125.2	178.9	-54.3	-179	0	0	0	108.1	L11 V15 I40 I44 D45 K51 I54	L11-L47 HydrophobicContact CD1-CD1 4.32Å; L11-L47 HydrophobicContact CD1-CD2 4.36Å; L11-L47 HydrophobicContact CD2-CD2 4Å; L11-L47 HydrophobicContact CG-CD2 4.18Å; V15-L47 HydrophobicContact CG2-CD1 3.6Å; V15-L47 HydrophobicContact CG2-CD2 3.89Å; V15-L47 HydrophobicContact CG2-CG 4.43Å; I40-L47 HydrophobicContact CG2-CD1 4.47Å; I44-L47 HydrophobicContact CD1-CD1 4.11Å; I44-L47 WeakPolarHBondContact O-CB 3.27Å; I44-L47 PolarHBondContact O-N 3.33Å; I44-L47 VanDerWaalsContact O-N 3.15Å; D45-L47 PolarHBondContact O-N 3.38Å; L47-K51 HydrophobicContact CB-CB 4.01Å; L47-K51 VanDerWaalsContact O-CD 3.29Å; L47-K51 WeakPolarHBondContact O-CD 3.33Å; L47-K51 PolarHBondContact O-NZ 3.06Å; L47-I54 HydrophobicContact CD1-CD1 3.47Å; L47-I54 VanDerWaalsContact CD1-CD1 3.47Å
48	D	91.1	Very high	95.1	Very high	136 Å²	136	59.7 Å²	59.7	73%	0.727	29%	0.287	S	S	*	.	S	Bend	trans	-69.4	-100	-173.5	-68.1	-41.5	0	0	0	112.2	K51	D48-K51 WeakPolarHBondContact O-CE 3.49Å; D48-K51 WeakPolarHBondContact O-CG 3.44Å
49	E	93.2	Very high	95.2	Very high	123 Å²	123	57.5 Å²	57.5	58%	0.575	27%	0.268	S	S	*	.	S	Bend	trans	-85.9	-23.6	177.2	-70.6	-62	144.4	0	0	112	K51 W52 K81	E49-K51 PolarHBondContact O-N 3.38Å; E49-W52 PolarHBondContact O-N 3.2Å; E49-W52 PolarHBondContact OE2-NE1 3.17Å; E49-K81 IonicContact OE1-NZ 3.48Å
50	E	94.2	Very high	95.4	Very high	44 Å²	44	59.5 Å²	59.5	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-29.2	179.8	179.4	52.9	-150.9	0	0	112.8	V15 R22 W52 L53 I54	V15-E50 HydrophobicContact CG1-CG 3.7Å; R22-E50 IonicContact CZ-OE1 3.51Å; R22-E50 VanDerWaalsContact CZ-OE1 3.27Å; R22-E50 IonicContact NH1-OE1 2.75Å; R22-E50 PolarHBondContact NH1-OE1 3.28Å; R22-E50 IonicContact NH2-OE1 3.55Å; R22-E50 PolarHBondContact NH2-OE1 2.97Å; R22-E50 IonicContact NH2-OE2 3.54Å; E50-W52 PolarHBondContact O-N 3.24Å; E50-W52 VanDerWaalsContact O-N 3.11Å; E50-L53 PolarHBondContact O-N 3.29Å; E50-L53 VanDerWaalsContact O-N 3.13Å; E50-I54 HydrophobicContact CG-CD1 3.96Å; E50-I54 HydrophobicContact CG-CG1 4.46Å; E50-I54 PolarHBondContact O-N 3.39Å; E50-I54 VanDerWaalsContact O-N 3.17Å
51	K	96.2	Very high	95.5	Very high	35 Å²	35	59.7 Å²	59.7	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-31.2	178.9	69.7	-176.5	157.8	-145.1	0	113.3	I44 L47 D48 E49 I54 Y55	I44-K51 HydrophobicContact CD1-CB 3.55Å; I44-K51 HydrophobicContact CG1-CB 4Å; L47-K51 HydrophobicContact CB-CB 4.01Å; L47-K51 VanDerWaalsContact O-CD 3.29Å; L47-K51 WeakPolarHBondContact O-CD 3.33Å; L47-K51 PolarHBondContact O-NZ 3.06Å; D48-K51 WeakPolarHBondContact O-CE 3.49Å; D48-K51 WeakPolarHBondContact O-CG 3.44Å; E49-K51 PolarHBondContact O-N 3.38Å; K51-I54 PolarHBondContact O-N 2.91Å; K51-Y55 HydrophobicContact CB-CD2 4.38Å; K51-Y55 HydrophobicContact CB-CE2 4.3Å; K51-Y55 HydrophobicContact CD-CE2 4.32Å; K51-Y55 HydrophobicContact CG-CD2 4.43Å; K51-Y55 HydrophobicContact CG-CE2 4.28Å; K51-Y55 WeakPolarHBondContact O-CB 3.45Å; K51-Y55 WeakPolarHBondContact O-CD2 3.38Å; K51-Y55 PolarHBondContact O-N 3.49Å
52	W	96.6	Very high	95.6	Very high	37 Å²	37	54.4 Å²	54.4	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-72	-35.8	-177.5	-50.9	122	0	0	0	111.8	E49 E50 I54 Y55 E56 L78 K81 F82	E49-W52 PolarHBondContact O-N 3.2Å; E49-W52 PolarHBondContact OE2-NE1 3.17Å; E50-W52 PolarHBondContact O-N 3.24Å; E50-W52 VanDerWaalsContact O-N 3.11Å; W52-I54 VanDerWaalsContact C-N 3.34Å; W52-Y55 AromaticContact CE3-CD2 3.71Å; W52-Y55 HydrophobicContact CE3-CD2 3.71Å; W52-Y55 HydrophobicContact CE3-CE2 4.08Å; W52-Y55 AromaticContact CZ3-CD2 3.97Å; W52-Y55 HydrophobicContact CZ3-CD2 3.97Å; W52-Y55 AromaticContact CZ3-CE2 3.89Å; W52-Y55 HydrophobicContact CZ3-CE2 3.89Å; W52-E56 PolarHBondContact O-N 2.83Å; W52-L78 HydrophobicContact CB-CD2 4.47Å; W52-L78 HydrophobicContact CE3-CD2 4.4Å; W52-K81 HydrophobicContact CD2-CG 4.07Å; W52-K81 HydrophobicContact CE3-CB 4.28Å; W52-K81 HydrophobicContact CE3-CG 4.22Å; W52-K81 HydrophobicContact CH2-CB 3.89Å; W52-K81 HydrophobicContact CH2-CD 4.07Å; W52-K81 HydrophobicContact CH2-CG 3.93Å; W52-K81 HydrophobicContact CZ2-CB 4.24Å; W52-K81 HydrophobicContact CZ2-CD 3.58Å; W52-K81 HydrophobicContact CZ2-CG 3.73Å; W52-K81 HydrophobicContact CZ3-CB 3.92Å; W52-K81 HydrophobicContact CZ3-CG 4.17Å; W52-F82 HydrophobicContact CB-CE2 4.06Å; W52-F82 HydrophobicContact CB-CZ 3.89Å; W52-F82 HydrophobicContact CD2-CE2 4.39Å; W52-F82 HydrophobicContact CD2-CZ 4.35Å; W52-F82 HydrophobicContact CG-CE2 4.18Å; W52-F82 AromaticContact CG-CZ 3.86Å; W52-F82 HydrophobicContact CG-CZ 3.86Å
53	L	96.2	Very high	95.8	Very high	58 Å²	58	47.1 Å²	47.1	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-39.8	172.3	-62.3	-178.1	0	0	0	110.9	E50 E56 Q57	E50-L53 PolarHBondContact O-N 3.29Å; E50-L53 VanDerWaalsContact O-N 3.13Å; L53-E56 PolarHBondContact O-N 3.48Å; L53-Q57 WeakPolarHBondContact O-CB 3.37Å; L53-Q57 PolarHBondContact O-N 3.24Å
54	I	97	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-45.4	176.3	-65.9	169	0	0	0	111.4	V15 L18 W36 I40 I44 L47 E50 K51 W52 E56 Q57 V58	V15-I54 HydrophobicContact CG1-CD1 4.31Å; V15-I54 HydrophobicContact CG2-CD1 3.92Å; L18-I54 HydrophobicContact CD1-CG1 4.39Å; L18-I54 HydrophobicContact CD1-CG2 4.08Å; W36-I54 HydrophobicContact CE3-CG2 4.45Å; W36-I54 HydrophobicContact CZ3-CG2 4.43Å; I40-I54 HydrophobicContact CD1-CG2 4.24Å; I40-I54 HydrophobicContact CG2-CG2 4.02Å; I44-I54 HydrophobicContact CD1-CG2 4.29Å; L47-I54 HydrophobicContact CD1-CD1 3.47Å; L47-I54 VanDerWaalsContact CD1-CD1 3.47Å; E50-I54 HydrophobicContact CG-CD1 3.96Å; E50-I54 HydrophobicContact CG-CG1 4.46Å; E50-I54 PolarHBondContact O-N 3.39Å; E50-I54 VanDerWaalsContact O-N 3.17Å; K51-I54 PolarHBondContact O-N 2.91Å; W52-I54 VanDerWaalsContact C-N 3.34Å; I54-E56 PolarHBondContact O-N 3.18Å; I54-Q57 PolarHBondContact O-N 2.87Å; I54-V58 HydrophobicContact CG2-CG2 3.99Å; I54-V58 WeakPolarHBondContact O-CB 3.31Å; I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.12Å; I54-V58 PolarHBondContact O-N 3.38Å
55	Y	97.7	Very high	96	Very high	25 Å²	25	49.5 Å²	49.5	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-41.6	175.7	-85.1	-59.9	0	0	0	111.6	W36 I44 K51 W52 Y59 C74 A77	W36-Y55 HydrophobicContact CH2-CD1 4.03Å; W36-Y55 AromaticContact CH2-CE1 3.61Å; W36-Y55 HydrophobicContact CH2-CE1 3.61Å; W36-Y55 HydrophobicContact CZ2-CE1 4.41Å; W36-Y55 HydrophobicContact CZ3-CE1 4.38Å; I44-Y55 HydrophobicContact CD1-CE2 4.4Å; I44-Y55 HydrophobicContact CG1-CE1 4.27Å; I44-Y55 HydrophobicContact CG1-CE2 3.79Å; K51-Y55 HydrophobicContact CB-CD2 4.38Å; K51-Y55 HydrophobicContact CB-CE2 4.3Å; K51-Y55 HydrophobicContact CD-CE2 4.32Å; K51-Y55 HydrophobicContact CG-CD2 4.43Å; K51-Y55 HydrophobicContact CG-CE2 4.28Å; K51-Y55 WeakPolarHBondContact O-CB 3.45Å; K51-Y55 WeakPolarHBondContact O-CD2 3.38Å; K51-Y55 PolarHBondContact O-N 3.49Å; W52-Y55 AromaticContact CE3-CD2 3.71Å; W52-Y55 HydrophobicContact CE3-CD2 3.71Å; W52-Y55 HydrophobicContact CE3-CE2 4.08Å; W52-Y55 AromaticContact CZ3-CD2 3.97Å; W52-Y55 HydrophobicContact CZ3-CD2 3.97Å; W52-Y55 AromaticContact CZ3-CE2 3.89Å; W52-Y55 HydrophobicContact CZ3-CE2 3.89Å; Y55-Y59 WeakPolarHBondContact O-CB 3.26Å; Y55-Y59 PolarHBondContact O-N 3.11Å; Y55-C74 HydrophobicContact CD1-CB 3.99Å; Y55-A77 HydrophobicContact CD1-CB 4.19Å; Y55-A77 HydrophobicContact CD2-CB 4.42Å; Y55-A77 HydrophobicContact CE1-CB 3.88Å; Y55-A77 HydrophobicContact CE2-CB 4.14Å; Y55-A77 HydrophobicContact CG-CB 4.45Å
56	E	96.9	Very high	96.1	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-44.3	176.7	-177.1	163.1	129.3	0	0	112.9	W52 L53 I54 V58 Y59 I60 L78 R87 L91	W52-E56 PolarHBondContact O-N 2.83Å; L53-E56 PolarHBondContact O-N 3.48Å; I54-E56 PolarHBondContact O-N 3.18Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-V58 PolarHBondContact O-N 2.99Å; E56-Y59 WeakPolarHBondContact O-CB 3.48Å; E56-Y59 PolarHBondContact O-N 3.39Å; E56-I60 HydrophobicContact CG-CD1 4.09Å; E56-I60 WeakPolarHBondContact O-CG1 3.35Å; E56-I60 PolarHBondContact O-N 2.99Å; E56-L78 HydrophobicContact CB-CD1 4.34Å; E56-R87 IonicContact OE1-CZ 2.65Å; E56-R87 VanDerWaalsContact OE1-CZ 3.3Å; E56-R87 IonicContact OE1-NE 3.77Å; E56-R87 PolarHBondContact OE1-NE 3.22Å; E56-R87 IonicContact OE1-NH2 3.9Å; E56-R87 PolarHBondContact OE1-NH2 2.96Å; E56-R87 WeakPolarHBondContact OE2-CD 3.4Å; E56-R87 WeakPolarHBondContact OE2-CG 3.15Å; E56-R87 IonicContact OE2-CZ 3.27Å; E56-R87 IonicContact OE2-NE 3.06Å; E56-R87 PolarHBondContact OE2-NE 3.44Å; E56-R87 IonicContact OE2-NH2 3.58Å; E56-R87 PolarHBondContact OE2-NH2 2.99Å; E56-R87 VanDerWaalsContact OE2-NH2 3.12Å; E56-L91 HydrophobicContact CG-CD1 4.14Å; E56-L91 HydrophobicContact CG-CD2 3.87Å
57	Q	97.2	Very high	96.2	Very high	24 Å²	24	40.5 Å²	40.5	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-43.4	177.8	-175.2	175.3	10.8	0	0	111.9	L18 R22 V32 L53 I54 I60 A61	L18-Q57 PolarHBondContact O-NE2 3.39Å; L18-Q57 PolarHBondContact O-OE1 2.87Å; R22-Q57 VanDerWaalsContact CD-OE1 3.24Å; R22-Q57 HydrophobicContact CG-CB 4.46Å; R22-Q57 HydrophobicContact CG-CG 4.1Å; R22-Q57 VanDerWaalsContact CG-OE1 3.26Å; V32-Q57 HydrophobicContact CG1-CG 4.4Å; L53-Q57 WeakPolarHBondContact O-CB 3.37Å; L53-Q57 PolarHBondContact O-N 3.24Å; I54-Q57 PolarHBondContact O-N 2.87Å; Q57-I60 PolarHBondContact O-N 3.21Å; Q57-A61 WeakPolarHBondContact O-CB 3.23Å; Q57-A61 PolarHBondContact O-N 3.49Å
58	V	97.9	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-38.7	175.7	173.4	0	0	0	0	110.7	V32 L33 W36 I54 E56 A61 A62 V70	V32-V58 HydrophobicContact CG1-CG2 4.03Å; L33-V58 HydrophobicContact CD2-CG1 4.16Å; W36-V58 HydrophobicContact CB-CG1 4.06Å; W36-V58 HydrophobicContact CB-CG2 3.97Å; W36-V58 HydrophobicContact CD2-CB 4.39Å; W36-V58 HydrophobicContact CD2-CG1 3.68Å; W36-V58 HydrophobicContact CD2-CG2 4Å; W36-V58 HydrophobicContact CE3-CB 4.39Å; W36-V58 HydrophobicContact CE3-CG1 4.16Å; W36-V58 HydrophobicContact CE3-CG2 3.73Å; W36-V58 HydrophobicContact CG-CG1 3.61Å; W36-V58 HydrophobicContact CG-CG2 4.11Å; I54-V58 HydrophobicContact CG2-CG2 3.99Å; I54-V58 WeakPolarHBondContact O-CB 3.31Å; I54-V58 VanDerWaalsContact O-CG2 3.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.12Å; I54-V58 PolarHBondContact O-N 3.38Å; E56-V58 VanDerWaalsContact C-N 3.35Å; E56-V58 PolarHBondContact O-N 2.99Å; V58-A61 PolarHBondContact O-N 3.38Å; V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.48Å; V58-V70 HydrophobicContact CG1-CG1 3.61Å
59	Y	98.1	Very high	96.6	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-49.3	175.1	174.5	-97.5	0	0	0	111.9	Y55 E56 A61 A62 L63 A71 C74 F75 L91 N95	Y55-Y59 WeakPolarHBondContact O-CB 3.26Å; Y55-Y59 PolarHBondContact O-N 3.11Å; E56-Y59 WeakPolarHBondContact O-CB 3.48Å; E56-Y59 PolarHBondContact O-N 3.39Å; Y59-A61 PolarHBondContact O-N 2.88Å; Y59-A62 WeakPolarHBondContact O-CB 3.46Å; Y59-A62 PolarHBondContact O-N 3.49Å; Y59-L63 HydrophobicContact CD1-CD1 4.16Å; Y59-L63 HydrophobicContact CE1-CD1 3.48Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.48Å; Y59-L63 HydrophobicContact CE1-CG 4.17Å; Y59-L63 HydrophobicContact CE2-CD1 4.48Å; Y59-L63 HydrophobicContact CE2-CD2 4.49Å; Y59-L63 HydrophobicContact CE2-CG 4.44Å; Y59-L63 WeakPolarHBondContact O-CG 3.48Å; Y59-L63 PolarHBondContact O-N 2.78Å; Y59-A71 HydrophobicContact CD2-CB 3.98Å; Y59-A71 WeakPolarHBondContact CD2-O 3.33Å; Y59-A71 HydrophobicContact CE2-CB 3.93Å; Y59-A71 WeakPolarHBondContact CE2-O 3.35Å; Y59-C74 HydrophobicContact CD2-CB 4.38Å; Y59-F75 HydrophobicContact CD2-CB 3.94Å; Y59-F75 HydrophobicContact CE2-CB 3.62Å; Y59-F75 AromaticContact CE2-CD2 3.94Å; Y59-F75 HydrophobicContact CE2-CD2 3.94Å; Y59-F75 HydrophobicContact CE2-CG 4.15Å; Y59-F75 AromaticContact CZ-CD2 3.88Å; Y59-L91 HydrophobicContact CD1-CB 4.21Å; Y59-L91 HydrophobicContact CD1-CD1 4.37Å; Y59-L91 HydrophobicContact CD1-CD2 3.75Å; Y59-L91 HydrophobicContact CD1-CG 4.3Å; Y59-L91 HydrophobicContact CE1-CB 3.61Å; Y59-L91 HydrophobicContact CE1-CD2 3.88Å; Y59-L91 HydrophobicContact CE1-CG 4.18Å; Y59-L91 PolarHBondContact OH-O 3.13Å; Y59-N95 WeakPolarHBondContact OH-CB 3.13Å
60	I	97.3	Very high	96.8	Very high	56 Å²	56	36.3 Å²	36.3	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-45.5	177.9	-65.9	166.7	0	0	0	110.3	E56 Q57 A62 L63 D64 L91 M94	E56-I60 HydrophobicContact CG-CD1 4.09Å; E56-I60 WeakPolarHBondContact O-CG1 3.35Å; E56-I60 PolarHBondContact O-N 2.99Å; Q57-I60 PolarHBondContact O-N 3.21Å; I60-A62 VanDerWaalsContact C-N 3.3Å; I60-A62 PolarHBondContact O-N 2.92Å; I60-L63 PolarHBondContact O-N 3.22Å; I60-D64 PolarHBondContact O-N 2.62Å; I60-D64 VanDerWaalsContact O-N 3.08Å; I60-L91 HydrophobicContact CG1-CD2 4.3Å; I60-M94 HydrophobicContact CG1-SD 4.25Å
61	A	97.8	Very high	97	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-37.9	175.6	0	0	0	0	0	112.9	P29 V32 L33 Q57 V58 Y59 D64 C65	P29-A61 HydrophobicContact CB-CB 3.92Å; V32-A61 HydrophobicContact CB-CB 3.82Å; V32-A61 HydrophobicContact CG1-CB 3.61Å; L33-A61 HydrophobicContact CD2-CB 4.45Å; L33-A61 HydrophobicContact CG-CB 4.34Å; Q57-A61 WeakPolarHBondContact O-CB 3.23Å; Q57-A61 PolarHBondContact O-N 3.49Å; V58-A61 PolarHBondContact O-N 3.38Å; Y59-A61 PolarHBondContact O-N 2.88Å; A61-D64 PolarHBondContact O-N 3.33Å; A61-C65 PolarHBondContact O-N 3.34Å; A61-C65 VanDerWaalsContact O-N 3.07Å
62	A	98.2	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-39.8	177.3	0	0	0	0	0	111.9	L33 V58 Y59 I60 C65 A66 N67 V70 A71	L33-A62 HydrophobicContact CD2-CB 4Å; V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.48Å; Y59-A62 WeakPolarHBondContact O-CB 3.46Å; Y59-A62 PolarHBondContact O-N 3.49Å; I60-A62 VanDerWaalsContact C-N 3.3Å; I60-A62 PolarHBondContact O-N 2.92Å; A62-C65 CarbonylContact O-C 3.42Å; A62-C65 PolarHBondContact O-N 3.09Å; A62-A66 PolarHBondContact O-N 2.9Å; A62-A66 VanDerWaalsContact O-N 3.13Å; A62-N67 HydrophobicContact CB-CB 4.41Å; A62-N67 PolarHBondContact O-N 3.01Å; A62-V70 HydrophobicContact CB-CB 4.02Å; A62-V70 HydrophobicContact CB-CG1 3.92Å; A62-A71 HydrophobicContact CB-CB 3.85Å
63	L	97.6	Very high	97.1	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-44.1	173.1	-67.7	-177.3	0	0	0	111.5	Y59 I60 C65 A66 M68 A71 M94 N95 A98	Y59-L63 HydrophobicContact CD1-CD1 4.16Å; Y59-L63 HydrophobicContact CE1-CD1 3.48Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.48Å; Y59-L63 HydrophobicContact CE1-CG 4.17Å; Y59-L63 HydrophobicContact CE2-CD1 4.48Å; Y59-L63 HydrophobicContact CE2-CD2 4.49Å; Y59-L63 HydrophobicContact CE2-CG 4.44Å; Y59-L63 WeakPolarHBondContact O-CG 3.48Å; Y59-L63 PolarHBondContact O-N 2.78Å; I60-L63 PolarHBondContact O-N 3.22Å; L63-C65 VanDerWaalsContact C-N 3.3Å; L63-C65 PolarHBondContact O-N 2.73Å; L63-A66 PolarHBondContact O-N 2.79Å; L63-M68 HydrophobicContact CD2-SD 4.3Å; L63-A71 HydrophobicContact CD2-CB 3.93Å; L63-A71 HydrophobicContact CG-CB 4.46Å; L63-M94 HydrophobicContact CD1-CB 3.81Å; L63-N95 WeakPolarHBondContact CD2-OD1 3.33Å; L63-A98 HydrophobicContact CB-CB 4.41Å; L63-A98 HydrophobicContact CD2-CB 4.15Å
64	D	96.1	Very high	97.1	Very high	65 Å²	65	35 Å²	35	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-38.2	177.9	-76.2	-6.2	0	0	0	112.9	R27 P29 I60 A61 A66	R27-D64 IonicContact CZ-OD1 3.12Å; R27-D64 IonicContact CZ-OD2 2.81Å; R27-D64 VanDerWaalsContact CZ-OD2 3.24Å; R27-D64 IonicContact NE-OD1 3.3Å; R27-D64 IonicContact NE-OD2 3.1Å; R27-D64 PolarHBondContact NE-OD2 2.93Å; R27-D64 IonicContact NH2-OD1 3.29Å; R27-D64 PolarHBondContact NH2-OD1 2.93Å; R27-D64 IonicContact NH2-OD2 3.88Å; R27-D64 PolarHBondContact NH2-OD2 2.8Å; P29-D64 HydrophobicContact CB-CB 3.59Å; P29-D64 HydrophobicContact CG-CB 3.89Å; I60-D64 PolarHBondContact O-N 2.62Å; I60-D64 VanDerWaalsContact O-N 3.08Å; A61-D64 PolarHBondContact O-N 3.33Å; D64-A66 VanDerWaalsContact C-N 3.32Å
65	C	96.7	Very high	97.1	Very high	47 Å²	47	36.3 Å²	36.3	32%	0.318	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	10.8	177.3	-64.8	0	0	0	0	113.6	L33 A61 A62 L63 N67	L33-C65 HydrophobicContact CD1-CB 3.5Å; L33-C65 VanDerWaalsContact CD1-CB 3.5Å; A61-C65 PolarHBondContact O-N 3.34Å; A61-C65 VanDerWaalsContact O-N 3.07Å; A62-C65 CarbonylContact O-C 3.42Å; A62-C65 PolarHBondContact O-N 3.09Å; L63-C65 VanDerWaalsContact C-N 3.3Å; L63-C65 PolarHBondContact O-N 2.73Å; C65-N67 PolarHBondContact O-N 2.93Å
66	A	96	Very high	97.1	Very high	72 Å²	72	37.3 Å²	37.3	60%	0.595	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	26.5	-175.4	0	0	0	0	0	114.7	A62 L63 D64 M68	A62-A66 PolarHBondContact O-N 2.9Å; A62-A66 VanDerWaalsContact O-N 3.13Å; L63-A66 PolarHBondContact O-N 2.79Å; D64-A66 VanDerWaalsContact C-N 3.32Å; A66-M68 PolarHBondContact O-N 3.02Å; A66-M68 VanDerWaalsContact O-N 3.1Å
67	N	96.5	Very high	97.1	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.283	22%	0.224	S	C	.	.			trans	-85.5	77.8	177.1	-168.9	-28.9	0	0	0	110.7	L33 A62 C65 V69 V70 A71	L33-N67 HydrophobicContact CD1-CB 4.32Å; A62-N67 HydrophobicContact CB-CB 4.41Å; A62-N67 PolarHBondContact O-N 3.01Å; C65-N67 PolarHBondContact O-N 2.93Å; N67-V69 PolarHBondContact O-N 3.37Å; N67-V70 PolarHBondContact O-N 3.48Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.36Å; N67-V70 PolarHBondContact OD1-N 2.95Å; N67-V70 VanDerWaalsContact OD1-N 3.12Å; N67-A71 PolarHBondContact O-N 2.99Å
68	M	95.4	Very high	97.1	Very high	72 Å²	72	35.6 Å²	35.6	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-24.3	-175.3	-59.9	-55.5	-176.2	0	0	113.7	L63 A66 S72 N99	L63-M68 HydrophobicContact CD2-SD 4.3Å; A66-M68 PolarHBondContact O-N 3.02Å; A66-M68 VanDerWaalsContact O-N 3.1Å; M68-S72 WeakPolarHBondContact O-CB 3.42Å; M68-S72 PolarHBondContact O-N 3.48Å; M68-N99 WeakPolarHBondContact CE-OD1 3.3Å
69	V	96.7	Very high	97	Very high	111 Å²	111	39.5 Å²	39.5	67%	0.673	24%	0.237	S	C	*	.	H	α-helix	trans	-68	-49.2	177.1	179.3	0	0	0	0	110.6	N67 T73	N67-V69 PolarHBondContact O-N 3.37Å; V69-T73 WeakPolarHBondContact O-CB 3.49Å; V69-T73 PolarHBondContact O-N 2.87Å; V69-T73 VanDerWaalsContact O-N 3.08Å; V69-T73 PolarHBondContact O-OG1 2.96Å
70	V	97.4	Very high	96.9	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-41.7	177	175.1	0	0	0	0	110.5	L33 V58 A62 N67 S72 T73 C74	L33-V70 HydrophobicContact CD2-CG1 4.01Å; V58-V70 HydrophobicContact CG1-CG1 3.61Å; A62-V70 HydrophobicContact CB-CB 4.02Å; A62-V70 HydrophobicContact CB-CG1 3.92Å; N67-V70 PolarHBondContact O-N 3.48Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.36Å; N67-V70 PolarHBondContact OD1-N 2.95Å; N67-V70 VanDerWaalsContact OD1-N 3.12Å; V70-S72 PolarHBondContact O-N 3.25Å; V70-T73 PolarHBondContact O-N 3.28Å; V70-C74 PolarHBondContact O-N 3.36Å; V70-C74 PolarHBondContact O-SG 3.49Å
71	A	97.8	Very high	96.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-50.6	176.7	0	0	0	0	0	111.4	Y59 A62 L63 N67 T73 C74 F75	Y59-A71 HydrophobicContact CD2-CB 3.98Å; Y59-A71 WeakPolarHBondContact CD2-O 3.33Å; Y59-A71 HydrophobicContact CE2-CB 3.93Å; Y59-A71 WeakPolarHBondContact CE2-O 3.35Å; A62-A71 HydrophobicContact CB-CB 3.85Å; L63-A71 HydrophobicContact CD2-CB 3.93Å; L63-A71 HydrophobicContact CG-CB 4.46Å; N67-A71 PolarHBondContact O-N 2.99Å; A71-T73 VanDerWaalsContact C-N 3.31Å; A71-T73 PolarHBondContact O-N 3.19Å; A71-C74 PolarHBondContact O-N 2.77Å; A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.77Å
72	S	96.9	Very high	96.7	Very high	71 Å²	71	54.8 Å²	54.8	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-40.1	178.2	-179.1	0	0	0	0	112.5	M68 V70 S76	M68-S72 WeakPolarHBondContact O-CB 3.42Å; M68-S72 PolarHBondContact O-N 3.48Å; V70-S72 PolarHBondContact O-N 3.25Å; S72-S76 VanDerWaalsContact O-CB 3.29Å; S72-S76 WeakPolarHBondContact O-CB 3.2Å; S72-S76 PolarHBondContact O-N 3.4Å; S72-S76 PolarHBondContact O-OG 3.34Å
73	T	97.1	Very high	96.4	Very high	74 Å²	74	62.7 Å²	62.7	45%	0.454	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-49.6	176.8	-57.6	0	0	0	0	111.5	V69 V70 A71 A77	V69-T73 WeakPolarHBondContact O-CB 3.49Å; V69-T73 PolarHBondContact O-N 2.87Å; V69-T73 VanDerWaalsContact O-N 3.08Å; V69-T73 PolarHBondContact O-OG1 2.96Å; V70-T73 PolarHBondContact O-N 3.28Å; A71-T73 VanDerWaalsContact C-N 3.31Å; A71-T73 PolarHBondContact O-N 3.19Å; T73-A77 PolarHBondContact O-N 3.07Å
74	C	97.5	Very high	96	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.2	-43.1	-179.2	-61.5	0	0	0	0	111.4	Y55 Y59 V70 A71 S76 A77 L78	Y55-C74 HydrophobicContact CD1-CB 3.99Å; Y59-C74 HydrophobicContact CD2-CB 4.38Å; V70-C74 PolarHBondContact O-N 3.36Å; V70-C74 PolarHBondContact O-SG 3.49Å; A71-C74 PolarHBondContact O-N 2.77Å; C74-S76 PolarHBondContact O-N 3.08Å; C74-A77 WeakPolarHBondContact O-CB 3.46Å; C74-A77 PolarHBondContact O-N 3.27Å; C74-L78 WeakPolarHBondContact O-CG 3.47Å; C74-L78 PolarHBondContact O-N 2.89Å
75	F	97.3	Very high	95.8	Very high	27 Å²	27	69.7 Å²	69.7	12%	0.118	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-45.3	178.4	-170.5	-93.4	0	0	0	111.9	Y59 A71 A77 L78 E79 L88 L91 Q92	Y59-F75 HydrophobicContact CD2-CB 3.94Å; Y59-F75 HydrophobicContact CE2-CB 3.62Å; Y59-F75 AromaticContact CE2-CD2 3.94Å; Y59-F75 HydrophobicContact CE2-CD2 3.94Å; Y59-F75 HydrophobicContact CE2-CG 4.15Å; Y59-F75 AromaticContact CZ-CD2 3.88Å; A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.77Å; F75-A77 VanDerWaalsContact C-N 3.25Å; F75-A77 PolarHBondContact O-N 3.38Å; F75-L78 PolarHBondContact O-N 3.01Å; F75-E79 HydrophobicContact CD1-CB 4.45Å; F75-E79 HydrophobicContact CE1-CB 4.08Å; F75-E79 HydrophobicContact CE1-CG 4.42Å; F75-E79 WeakPolarHBondContact O-CB 3.29Å; F75-E79 PolarHBondContact O-N 3.27Å; F75-L88 HydrophobicContact CE2-CD2 4.23Å; F75-L88 HydrophobicContact CZ-CD2 4.41Å; F75-L91 HydrophobicContact CD2-CB 4.2Å; F75-L91 HydrophobicContact CE2-CB 3.98Å; F75-Q92 HydrophobicContact CE1-CG 4.2Å; F75-Q92 HydrophobicContact CE2-CG 3.59Å; F75-Q92 HydrophobicContact CZ-CG 3.24Å
76	S	97	Very high	95.7	Very high	47 Å²	47	70.6 Å²	70.6	33%	0.329	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-36	177.6	-61.9	0	0	0	0	112.4	S72 C74 R80	S72-S76 VanDerWaalsContact O-CB 3.29Å; S72-S76 WeakPolarHBondContact O-CB 3.2Å; S72-S76 PolarHBondContact O-N 3.4Å; S72-S76 PolarHBondContact O-OG 3.34Å; C74-S76 PolarHBondContact O-N 3.08Å; S76-R80 WeakPolarHBondContact O-CB 3.19Å; S76-R80 PolarHBondContact O-N 3.12Å; S76-R80 VanDerWaalsContact O-N 3.11Å
77	A	96.6	Very high	95.6	Very high	14 Å²	14	72.1 Å²	72.1	12%	0.116	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-46	175.7	0	0	0	0	0	111.7	Y55 T73 C74 F75 R80 K81	Y55-A77 HydrophobicContact CD1-CB 4.19Å; Y55-A77 HydrophobicContact CD2-CB 4.42Å; Y55-A77 HydrophobicContact CE1-CB 3.88Å; Y55-A77 HydrophobicContact CE2-CB 4.14Å; Y55-A77 HydrophobicContact CG-CB 4.45Å; T73-A77 PolarHBondContact O-N 3.07Å; C74-A77 WeakPolarHBondContact O-CB 3.46Å; C74-A77 PolarHBondContact O-N 3.27Å; F75-A77 VanDerWaalsContact C-N 3.25Å; F75-A77 PolarHBondContact O-N 3.38Å; A77-R80 PolarHBondContact O-N 3.2Å; A77-K81 PolarHBondContact O-N 2.95Å
78	L	97.2	Very high	95.5	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-45.8	177.2	-68	168.8	0	0	0	111.6	W52 E56 C74 F75 R80 K81 F82 L88 L91	W52-L78 HydrophobicContact CB-CD2 4.47Å; W52-L78 HydrophobicContact CE3-CD2 4.4Å; E56-L78 HydrophobicContact CB-CD1 4.34Å; C74-L78 WeakPolarHBondContact O-CG 3.47Å; C74-L78 PolarHBondContact O-N 2.89Å; F75-L78 PolarHBondContact O-N 3.01Å; L78-R80 PolarHBondContact O-N 2.6Å; L78-K81 PolarHBondContact O-N 3.05Å; L78-F82 HydrophobicContact CB-CD2 4.49Å; L78-F82 HydrophobicContact CD2-CD2 4.28Å; L78-F82 HydrophobicContact CD2-CE2 3.84Å; L78-F82 VanDerWaalsContact O-CD2 3.27Å; L78-F82 WeakPolarHBondContact O-CD2 3.2Å; L78-F82 PolarHBondContact O-N 3.18Å; L78-L88 HydrophobicContact CB-CD2 3.82Å; L78-L91 HydrophobicContact CD1-CD1 3.71Å
79	E	96.8	Very high	95.6	Very high	82 Å²	82	69.2 Å²	69.2	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-42.4	179.5	-173.7	175.5	-121.8	0	0	111.4	F75 K81 K83	F75-E79 HydrophobicContact CD1-CB 4.45Å; F75-E79 HydrophobicContact CE1-CB 4.08Å; F75-E79 HydrophobicContact CE1-CG 4.42Å; F75-E79 WeakPolarHBondContact O-CB 3.29Å; F75-E79 PolarHBondContact O-N 3.27Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.04Å; E79-K83 WeakPolarHBondContact O-CA 3.45Å; E79-K83 PolarHBondContact O-N 3.28Å
80	R	96.1	Very high	95.5	Very high	193 Å²	193	67 Å²	67	73%	0.728	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-41.2	176.6	-170.5	-175.6	-54.8	140.4	6.8	112.7	S76 A77 L78	S76-R80 WeakPolarHBondContact O-CB 3.19Å; S76-R80 PolarHBondContact O-N 3.12Å; S76-R80 VanDerWaalsContact O-N 3.11Å; A77-R80 PolarHBondContact O-N 3.2Å; L78-R80 PolarHBondContact O-N 2.6Å
81	K	95.4	Very high	95.5	Very high	98 Å²	98	66.7 Å²	66.7	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-72.3	-50.2	-178.9	173.7	65.4	173	-170.3	0	111.8	E49 W52 A77 L78 E79	E49-K81 IonicContact OE1-NZ 3.48Å; W52-K81 HydrophobicContact CD2-CG 4.07Å; W52-K81 HydrophobicContact CE3-CB 4.28Å; W52-K81 HydrophobicContact CE3-CG 4.22Å; W52-K81 HydrophobicContact CH2-CB 3.89Å; W52-K81 HydrophobicContact CH2-CD 4.07Å; W52-K81 HydrophobicContact CH2-CG 3.93Å; W52-K81 HydrophobicContact CZ2-CB 4.24Å; W52-K81 HydrophobicContact CZ2-CD 3.58Å; W52-K81 HydrophobicContact CZ2-CG 3.73Å; W52-K81 HydrophobicContact CZ3-CB 3.92Å; W52-K81 HydrophobicContact CZ3-CG 4.17Å; A77-K81 PolarHBondContact O-N 2.95Å; L78-K81 PolarHBondContact O-N 3.05Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.04Å
82	F	95.4	Very high	95.5	Very high	94 Å²	94	69.4 Å²	69.4	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-95.1	-20.6	-170.1	-60.9	-68.1	0	0	0	113.6	W52 L78 K84 L88	W52-F82 HydrophobicContact CB-CE2 4.06Å; W52-F82 HydrophobicContact CB-CZ 3.89Å; W52-F82 HydrophobicContact CD2-CE2 4.39Å; W52-F82 HydrophobicContact CD2-CZ 4.35Å; W52-F82 HydrophobicContact CG-CE2 4.18Å; W52-F82 AromaticContact CG-CZ 3.86Å; W52-F82 HydrophobicContact CG-CZ 3.86Å; L78-F82 HydrophobicContact CB-CD2 4.49Å; L78-F82 HydrophobicContact CD2-CD2 4.28Å; L78-F82 HydrophobicContact CD2-CE2 3.84Å; L78-F82 VanDerWaalsContact O-CD2 3.27Å; L78-F82 WeakPolarHBondContact O-CD2 3.2Å; L78-F82 PolarHBondContact O-N 3.18Å; F82-K84 PolarHBondContact O-N 2.98Å; F82-K84 VanDerWaalsContact O-O 3.12Å; F82-L88 HydrophobicContact CB-CD1 3.82Å; F82-L88 HydrophobicContact CB-CG 4.35Å
83	K	91.5	Very high	95.5	Very high	166 Å²	166	66 Å²	66	72%	0.722	31%	0.308	S	S	*	.	S	Bend	trans	61.7	-52	-179.2	-56.7	179.7	-179.7	178.3	0	115.1	E79	E79-K83 WeakPolarHBondContact O-CA 3.45Å; E79-K83 PolarHBondContact O-N 3.28Å
84	K	89.4	Confident	95.5	Very high	192 Å²	192	65.3 Å²	65.3	84%	0.835	30%	0.301	S	S	*	.	S	Bend	trans	-147.6	153.2	178	-64.7	-173.4	179.3	-178.1	0	109.4	F82	F82-K84 PolarHBondContact O-N 2.98Å; F82-K84 VanDerWaalsContact O-O 3.12Å
85	G	92	Very high	95.5	Very high	35 Å²	35	67.9 Å²	67.9	36%	0.361	31%	0.314	S	S	.	.			trans	163.3	157.3	172.5	0	0	0	0	0	111.6	R87 L88 L89	G85-R87 PolarHBondContact O-N 3.42Å; G85-L88 PolarHBondContact O-N 3.42Å; G85-L89 PolarHBondContact O-N 3.17Å
86	Q	93.5	Very high	95.5	Very high	67 Å²	67	68 Å²	68	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-33.8	177.8	-60.7	-178.1	32.1	0	0	111.8	L89 R90 L112 V115	Q86-L89 PolarHBondContact O-N 3.49Å; Q86-R90 WeakPolarHBondContact O-CG 3.43Å; Q86-R90 PolarHBondContact O-N 2.67Å; Q86-L112 HydrophobicContact CB-CD2 3.83Å; Q86-L112 HydrophobicContact CG-CD2 4.26Å; Q86-V115 HydrophobicContact CG-CG1 4.07Å
87	R	93.3	Very high	95.4	Very high	103 Å²	103	67.4 Å²	67.4	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-48.5	176.8	-163.5	169.2	-169.3	-169.6	-9.6	111.8	E56 G85 L89 R90 L91	E56-R87 IonicContact OE1-CZ 2.65Å; E56-R87 VanDerWaalsContact OE1-CZ 3.3Å; E56-R87 IonicContact OE1-NE 3.77Å; E56-R87 PolarHBondContact OE1-NE 3.22Å; E56-R87 IonicContact OE1-NH2 3.9Å; E56-R87 PolarHBondContact OE1-NH2 2.96Å; E56-R87 WeakPolarHBondContact OE2-CD 3.4Å; E56-R87 WeakPolarHBondContact OE2-CG 3.15Å; E56-R87 IonicContact OE2-CZ 3.27Å; E56-R87 IonicContact OE2-NE 3.06Å; E56-R87 PolarHBondContact OE2-NE 3.44Å; E56-R87 IonicContact OE2-NH2 3.58Å; E56-R87 PolarHBondContact OE2-NH2 2.99Å; E56-R87 VanDerWaalsContact OE2-NH2 3.12Å; G85-R87 PolarHBondContact O-N 3.42Å; R87-L89 PolarHBondContact O-N 2.92Å; R87-R90 PolarHBondContact O-N 3.08Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3.16Å
88	L	95.8	Very high	95.4	Very high	11 Å²	11	69.1 Å²	69.1	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-43	175	-77	175.7	0	0	0	112.2	F75 L78 F82 G85 R90 L91 Q92	F75-L88 HydrophobicContact CE2-CD2 4.23Å; F75-L88 HydrophobicContact CZ-CD2 4.41Å; L78-L88 HydrophobicContact CB-CD2 3.82Å; F82-L88 HydrophobicContact CB-CD1 3.82Å; F82-L88 HydrophobicContact CB-CG 4.35Å; G85-L88 PolarHBondContact O-N 3.42Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.06Å; L88-L91 PolarHBondContact O-N 2.96Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.27Å
89	L	96.3	Very high	95.2	Very high	53 Å²	53	72.8 Å²	72.8	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-41.7	176.6	-74.2	177.2	0	0	0	111.8	G85 Q86 R87 L91 Q92 A93 I108 L112	G85-L89 PolarHBondContact O-N 3.17Å; Q86-L89 PolarHBondContact O-N 3.49Å; R87-L89 PolarHBondContact O-N 2.92Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 3.31Å; L89-Q92 PolarHBondContact O-N 2.76Å; L89-A93 PolarHBondContact O-N 2.93Å; L89-I108 HydrophobicContact CB-CG2 4.04Å; L89-I108 HydrophobicContact CD2-CG2 4.41Å; L89-I108 WeakPolarHBondContact O-CG2 3.43Å; L89-L112 HydrophobicContact CB-CD1 4.37Å; L89-L112 HydrophobicContact CB-CD2 3.82Å; L89-L112 HydrophobicContact CB-CG 4.21Å; L89-L112 HydrophobicContact CD1-CD2 4.09Å
90	R	96.1	Very high	95.1	Very high	65 Å²	65	71.5 Å²	71.5	25%	0.245	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-42.8	174.7	-74.7	-171.9	-57.1	-99.4	7	112.1	Q86 R87 L88 A93 M94 L112	Q86-R90 WeakPolarHBondContact O-CG 3.43Å; Q86-R90 PolarHBondContact O-N 2.67Å; R87-R90 PolarHBondContact O-N 3.08Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.06Å; R90-A93 PolarHBondContact O-N 3.36Å; R90-M94 WeakPolarHBondContact O-CG 3.45Å; R90-M94 PolarHBondContact O-N 3.27Å; R90-L112 HydrophobicContact CB-CD1 4.46Å; R90-L112 HydrophobicContact CG-CD1 3.55Å; R90-L112 HydrophobicContact CG-CD2 4.3Å
91	L	96.9	Very high	95.2	Very high	4 Å²	4	66 Å²	66	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.9	-61.7	178.8	0	0	0	111.5	E56 Y59 I60 F75 L78 R87 L88 L89 A93 M94 N95	E56-L91 HydrophobicContact CG-CD1 4.14Å; E56-L91 HydrophobicContact CG-CD2 3.87Å; Y59-L91 HydrophobicContact CD1-CB 4.21Å; Y59-L91 HydrophobicContact CD1-CD1 4.37Å; Y59-L91 HydrophobicContact CD1-CD2 3.75Å; Y59-L91 HydrophobicContact CD1-CG 4.3Å; Y59-L91 HydrophobicContact CE1-CB 3.61Å; Y59-L91 HydrophobicContact CE1-CD2 3.88Å; Y59-L91 HydrophobicContact CE1-CG 4.18Å; Y59-L91 PolarHBondContact OH-O 3.13Å; I60-L91 HydrophobicContact CG1-CD2 4.3Å; F75-L91 HydrophobicContact CD2-CB 4.2Å; F75-L91 HydrophobicContact CE2-CB 3.98Å; L78-L91 HydrophobicContact CD1-CD1 3.71Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 2.96Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 3.31Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.44Å; L91-M94 HydrophobicContact CD2-SD 4.17Å; L91-M94 WeakPolarHBondContact O-CB 3.36Å; L91-M94 PolarHBondContact O-N 2.79Å; L91-N95 PolarHBondContact O-N 3.1Å
92	Q	96.8	Very high	95.3	Very high	59 Å²	59	62.7 Å²	62.7	28%	0.276	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-43.1	173.2	-70.9	176.7	-27.6	0	0	112	F75 L88 L89 M94 N95 L96 I108	F75-Q92 HydrophobicContact CE1-CG 4.2Å; F75-Q92 HydrophobicContact CE2-CG 3.59Å; F75-Q92 HydrophobicContact CZ-CG 3.24Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.27Å; L89-Q92 PolarHBondContact O-N 2.76Å; Q92-M94 PolarHBondContact O-N 3.28Å; Q92-N95 WeakPolarHBondContact O-CB 3.43Å; Q92-N95 PolarHBondContact O-N 3.05Å; Q92-L96 WeakPolarHBondContact O-CG 3.42Å; Q92-L96 PolarHBondContact O-N 3.26Å; Q92-I108 HydrophobicContact CB-CD1 4Å
93	A	97.6	Very high	95.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-42.3	175.7	0	0	0	0	0	111.8	L89 R90 L91 N95 L96 E97 I108 Y109	L89-A93 PolarHBondContact O-N 2.93Å; R90-A93 PolarHBondContact O-N 3.36Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.44Å; A93-N95 VanDerWaalsContact C-N 3.32Å; A93-N95 PolarHBondContact O-N 2.9Å; A93-L96 PolarHBondContact O-N 3.1Å; A93-E97 WeakPolarHBondContact O-CG 3.45Å; A93-E97 PolarHBondContact O-N 3.3Å; A93-I108 HydrophobicContact CB-CB 4.08Å; A93-I108 HydrophobicContact CB-CD1 4.41Å; A93-I108 HydrophobicContact CB-CG2 3.91Å; A93-Y109 HydrophobicContact CB-CD1 4.33Å; A93-Y109 HydrophobicContact CB-CE1 3.65Å; A93-Y109 HydrophobicContact CB-CE2 3.95Å; A93-Y109 VanDerWaalsContact CB-CZ 3.42Å; A93-Y109 WeakPolarHBondContact CB-OH 3.48Å
94	M	96.8	Very high	95.7	Very high	59 Å²	59	59.2 Å²	59.2	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-39.8	174.2	-69.1	174.5	178.5	0	0	112.4	I60 L63 R90 L91 Q92 E97 A98	I60-M94 HydrophobicContact CG1-SD 4.25Å; L63-M94 HydrophobicContact CD1-CB 3.81Å; R90-M94 WeakPolarHBondContact O-CG 3.45Å; R90-M94 PolarHBondContact O-N 3.27Å; L91-M94 HydrophobicContact CD2-SD 4.17Å; L91-M94 WeakPolarHBondContact O-CB 3.36Å; L91-M94 PolarHBondContact O-N 2.79Å; Q92-M94 PolarHBondContact O-N 3.28Å; M94-E97 PolarHBondContact O-N 3.47Å; M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.18Å
95	N	97	Very high	96.1	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-46.1	174	-166.6	51.4	0	0	0	112	Y59 L63 L91 Q92 A93 E97 A98 N99	Y59-N95 WeakPolarHBondContact OH-CB 3.13Å; L63-N95 WeakPolarHBondContact CD2-OD1 3.33Å; L91-N95 PolarHBondContact O-N 3.1Å; Q92-N95 WeakPolarHBondContact O-CB 3.43Å; Q92-N95 PolarHBondContact O-N 3.05Å; A93-N95 VanDerWaalsContact C-N 3.32Å; A93-N95 PolarHBondContact O-N 2.9Å; N95-E97 VanDerWaalsContact C-N 3.29Å; N95-E97 PolarHBondContact O-N 2.91Å; N95-A98 PolarHBondContact O-N 2.83Å; N95-N99 PolarHBondContact O-N 2.87Å; N95-N99 PolarHBondContact O-ND2 3.48Å; N95-N99 PolarHBondContact OD1-ND2 2.96Å
96	L	97.4	Very high	96.4	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-42.6	179.3	-71.3	170.2	0	0	0	110.4	Q92 A93 N99 G100 M101 E104 A105 I108	Q92-L96 WeakPolarHBondContact O-CG 3.42Å; Q92-L96 PolarHBondContact O-N 3.26Å; A93-L96 PolarHBondContact O-N 3.1Å; L96-N99 CarbonylContact O-C 3.58Å; L96-N99 PolarHBondContact O-N 3.21Å; L96-G100 PolarHBondContact O-N 3.02Å; L96-G100 VanDerWaalsContact O-N 3.12Å; L96-M101 HydrophobicContact CB-CB 4.13Å; L96-M101 HydrophobicContact CD2-CB 3.84Å; L96-M101 HydrophobicContact CD2-CE 3.98Å; L96-M101 HydrophobicContact CD2-CG 4.4Å; L96-M101 HydrophobicContact CD2-SD 3.73Å; L96-M101 PolarHBondContact O-N 3.44Å; L96-E104 HydrophobicContact CD1-CB 3.84Å; L96-E104 HydrophobicContact CD2-CB 4.2Å; L96-A105 HydrophobicContact CB-CB 3.94Å; L96-I108 HydrophobicContact CD1-CD1 3.49Å; L96-I108 VanDerWaalsContact CD1-CD1 3.49Å; L96-I108 HydrophobicContact CD1-CG1 4.32Å
97	E	96.4	Very high	96.6	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-45	173.7	-70.3	-172.6	-103.1	0	0	112.7	A93 M94 N95 N99 G100 L102 A105 Y109 R125	A93-E97 WeakPolarHBondContact O-CG 3.45Å; A93-E97 PolarHBondContact O-N 3.3Å; M94-E97 PolarHBondContact O-N 3.47Å; N95-E97 VanDerWaalsContact C-N 3.29Å; N95-E97 PolarHBondContact O-N 2.91Å; E97-N99 PolarHBondContact O-N 3.14Å; E97-G100 PolarHBondContact O-N 3.05Å; E97-L102 HydrophobicContact CB-CD2 4.32Å; E97-L102 HydrophobicContact CG-CD2 4.08Å; E97-A105 HydrophobicContact CG-CB 3.68Å; E97-Y109 WeakPolarHBondContact OE1-CE2 3.48Å; E97-Y109 VanDerWaalsContact OE1-CZ 3.32Å; E97-Y109 PolarHBondContact OE1-OH 3.41Å; E97-R125 IonicContact OE1-CZ 2.93Å; E97-R125 IonicContact OE1-NE 3.72Å; E97-R125 PolarHBondContact OE1-NE 3.26Å; E97-R125 VanDerWaalsContact OE1-NE 3.12Å; E97-R125 IonicContact OE1-NH2 2.99Å; E97-R125 PolarHBondContact OE1-NH2 3.38Å; E97-R125 IonicContact OE2-CZ 3.24Å; E97-R125 VanDerWaalsContact OE2-CZ 3.3Å; E97-R125 IonicContact OE2-NE 2.76Å; E97-R125 IonicContact OE2-NH2 3.98Å; E97-R125 PolarHBondContact OE2-NH2 2.85Å
98	A	95	Very high	96.8	Very high	50 Å²	50	48.4 Å²	48.4	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-28.7	176.9	0	0	0	0	0	112.7	L63 M94 N95	L63-A98 HydrophobicContact CB-CB 4.41Å; L63-A98 HydrophobicContact CD2-CB 4.15Å; M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.18Å; N95-A98 PolarHBondContact O-N 2.83Å
99	N	94.4	Very high	96.9	Very high	81 Å²	81	48 Å²	48	43%	0.433	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.9	175.7	-69.4	-70.1	0	0	0	113.6	M68 N95 L96 E97 M101	M68-N99 WeakPolarHBondContact CE-OD1 3.3Å; N95-N99 PolarHBondContact O-N 2.87Å; N95-N99 PolarHBondContact O-ND2 3.48Å; N95-N99 PolarHBondContact OD1-ND2 2.96Å; L96-N99 CarbonylContact O-C 3.58Å; L96-N99 PolarHBondContact O-N 3.21Å; E97-N99 PolarHBondContact O-N 3.14Å; N99-M101 HydrophobicContact CB-CG 4.44Å; N99-M101 PolarHBondContact O-N 3.33Å
100	G	94.7	Very high	96.9	Very high	54 Å²	54	47.8 Å²	47.8	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	6.4	-179.7	0	0	0	0	0	115.2	L96 E97 L102	L96-G100 PolarHBondContact O-N 3.02Å; L96-G100 VanDerWaalsContact O-N 3.12Å; E97-G100 PolarHBondContact O-N 3.05Å; G100-L102 PolarHBondContact O-N 3.34Å
101	M	97.4	Very high	97	Very high	79 Å²	79	47.3 Å²	47.3	39%	0.389	26%	0.26	S	S	.	.			trans	-81.5	62.5	177.8	-62.5	-178.3	69.8	0	0	110.9	L96 N99 L103 E104 A105	L96-M101 HydrophobicContact CB-CB 4.13Å; L96-M101 HydrophobicContact CD2-CB 3.84Å; L96-M101 HydrophobicContact CD2-CE 3.98Å; L96-M101 HydrophobicContact CD2-CG 4.4Å; L96-M101 HydrophobicContact CD2-SD 3.73Å; L96-M101 PolarHBondContact O-N 3.44Å; N99-M101 HydrophobicContact CB-CG 4.44Å; N99-M101 PolarHBondContact O-N 3.33Å; M101-L103 PolarHBondContact O-N 3.31Å; M101-E104 HydrophobicContact CB-CB 4.44Å; M101-E104 HydrophobicContact CE-CG 4Å; M101-E104 WeakPolarHBondContact CE-OE1 3.33Å; M101-A105 PolarHBondContact O-N 2.85Å; M101-A105 VanDerWaalsContact O-N 3.09Å
102	L	98	Very high	97	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.141	26%	0.259	C	S	.	.	H	α-helix	trans	-70.9	-31.4	-168.7	-62.2	175.7	0	0	0	113.5	E97 G100 A105 I106 A132 L133	E97-L102 HydrophobicContact CB-CD2 4.32Å; E97-L102 HydrophobicContact CG-CD2 4.08Å; G100-L102 PolarHBondContact O-N 3.34Å; L102-A105 PolarHBondContact O-N 3.17Å; L102-I106 WeakPolarHBondContact O-CD1 3.28Å; L102-I106 VanDerWaalsContact O-CG1 3.23Å; L102-I106 WeakPolarHBondContact O-CG1 3.26Å; L102-I106 PolarHBondContact O-N 3.41Å; L102-A132 HydrophobicContact CD1-CB 3.63Å; L102-L133 HydrophobicContact CB-CD1 3.83Å; L102-L133 HydrophobicContact CB-CD2 3.93Å; L102-L133 HydrophobicContact CB-CG 3.74Å; L102-L133 HydrophobicContact CD1-CD2 3.93Å; L102-L133 HydrophobicContact CD1-CG 3.76Å; L102-L133 HydrophobicContact CG-CD2 4.5Å; L102-L133 HydrophobicContact CG-CG 4.41Å
103	L	97.8	Very high	96.9	Very high	99 Å²	99	45.2 Å²	45.2	52%	0.518	25%	0.251	S	S	.	.	H	α-helix	trans	-68.8	-40.7	178.8	-71.6	173.3	0	0	0	111.2	M101 I106 H107 L133	M101-L103 PolarHBondContact O-N 3.31Å; L103-I106 PolarHBondContact O-N 2.95Å; L103-H107 PolarHBondContact O-N 3.04Å; L103-H107 VanDerWaalsContact O-N 3.11Å; L103-L133 HydrophobicContact CD2-CD1 3.62Å; L103-L133 HydrophobicContact CG-CD1 3.98Å
104	E	98	Very high	96.7	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-40.9	175.5	-62.3	87.2	160.1	0	0	110.8	L96 M101 I106 H107 I108	L96-E104 HydrophobicContact CD1-CB 3.84Å; L96-E104 HydrophobicContact CD2-CB 4.2Å; M101-E104 HydrophobicContact CB-CB 4.44Å; M101-E104 HydrophobicContact CE-CG 4Å; M101-E104 WeakPolarHBondContact CE-OE1 3.33Å; E104-I106 VanDerWaalsContact C-N 3.35Å; E104-I106 PolarHBondContact O-N 3.32Å; E104-H107 WeakPolarHBondContact O-CB 3.39Å; E104-H107 PolarHBondContact O-N 3.33Å; E104-I108 PolarHBondContact O-N 3.29Å
105	A	98.1	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-44.7	173	0	0	0	0	0	111.7	L96 E97 M101 L102 H107 I108 Y109	L96-A105 HydrophobicContact CB-CB 3.94Å; E97-A105 HydrophobicContact CG-CB 3.68Å; M101-A105 PolarHBondContact O-N 2.85Å; M101-A105 VanDerWaalsContact O-N 3.09Å; L102-A105 PolarHBondContact O-N 3.17Å; A105-H107 VanDerWaalsContact C-N 3.3Å; A105-H107 PolarHBondContact O-N 2.93Å; A105-I108 PolarHBondContact O-N 2.72Å; A105-I108 VanDerWaalsContact O-N 3.13Å; A105-Y109 HydrophobicContact CB-CE2 4.17Å; A105-Y109 WeakPolarHBondContact O-CD2 3.38Å; A105-Y109 PolarHBondContact O-N 3.11Å
106	I	98.1	Very high	96.4	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.087	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-42.6	175.4	-73.1	162.5	0	0	0	111.2	L102 L103 E104 I108 Y109 D110 K126 L130 L133	L102-I106 WeakPolarHBondContact O-CD1 3.28Å; L102-I106 VanDerWaalsContact O-CG1 3.23Å; L102-I106 WeakPolarHBondContact O-CG1 3.26Å; L102-I106 PolarHBondContact O-N 3.41Å; L103-I106 PolarHBondContact O-N 2.95Å; E104-I106 VanDerWaalsContact C-N 3.35Å; E104-I106 PolarHBondContact O-N 3.32Å; I106-I108 VanDerWaalsContact C-N 3.3Å; I106-I108 PolarHBondContact O-N 3.47Å; I106-Y109 PolarHBondContact O-N 3.29Å; I106-Y109 VanDerWaalsContact O-N 3.11Å; I106-D110 PolarHBondContact O-N 3.19Å; I106-K126 HydrophobicContact CG2-CG 4.27Å; I106-L130 HydrophobicContact CD1-CD2 3.71Å; I106-L130 HydrophobicContact CD1-CG 3.93Å; I106-L133 HydrophobicContact CD1-CD1 3.71Å
107	H	97.9	Very high	96.1	Very high	127 Å²	127	56 Å²	56	59%	0.588	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-38.3	177.8	-173.9	65.1	0	0	0	112.8	L103 E104 A105 T111	L103-H107 PolarHBondContact O-N 3.04Å; L103-H107 VanDerWaalsContact O-N 3.11Å; E104-H107 WeakPolarHBondContact O-CB 3.39Å; E104-H107 PolarHBondContact O-N 3.33Å; A105-H107 VanDerWaalsContact C-N 3.3Å; A105-H107 PolarHBondContact O-N 2.93Å; H107-T111 PolarHBondContact O-N 3.12Å; H107-T111 VanDerWaalsContact O-N 3.15Å; H107-T111 PolarHBondContact O-OG1 3.46Å
108	I	97.7	Very high	95.8	Very high	26 Å²	26	59 Å²	59	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-43	173.4	-61.8	-175.3	0	0	0	110.5	L89 Q92 A93 L96 E104 A105 I106 D110 T111 L112	L89-I108 HydrophobicContact CB-CG2 4.04Å; L89-I108 HydrophobicContact CD2-CG2 4.41Å; L89-I108 WeakPolarHBondContact O-CG2 3.43Å; Q92-I108 HydrophobicContact CB-CD1 4Å; A93-I108 HydrophobicContact CB-CB 4.08Å; A93-I108 HydrophobicContact CB-CD1 4.41Å; A93-I108 HydrophobicContact CB-CG2 3.91Å; L96-I108 HydrophobicContact CD1-CD1 3.49Å; L96-I108 VanDerWaalsContact CD1-CD1 3.49Å; L96-I108 HydrophobicContact CD1-CG1 4.32Å; E104-I108 PolarHBondContact O-N 3.29Å; A105-I108 PolarHBondContact O-N 2.72Å; A105-I108 VanDerWaalsContact O-N 3.13Å; I106-I108 VanDerWaalsContact C-N 3.3Å; I106-I108 PolarHBondContact O-N 3.47Å; I108-D110 PolarHBondContact O-N 3.11Å; I108-T111 WeakPolarHBondContact O-CB 3.41Å; I108-T111 PolarHBondContact O-N 3.14Å; I108-T111 VanDerWaalsContact O-N 3.14Å; I108-L112 HydrophobicContact CG2-CD1 3.97Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CG 2.91Å; I108-L112 PolarHBondContact O-N 2.93Å
109	Y	97.5	Very high	95.6	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-40.1	177.3	-67.8	-51.4	0	0	0	112.9	A93 E97 A105 I106 T111 L112 I113 R125 K126	A93-Y109 HydrophobicContact CB-CD1 4.33Å; A93-Y109 HydrophobicContact CB-CE1 3.65Å; A93-Y109 HydrophobicContact CB-CE2 3.95Å; A93-Y109 VanDerWaalsContact CB-CZ 3.42Å; A93-Y109 WeakPolarHBondContact CB-OH 3.48Å; E97-Y109 WeakPolarHBondContact OE1-CE2 3.48Å; E97-Y109 VanDerWaalsContact OE1-CZ 3.32Å; E97-Y109 PolarHBondContact OE1-OH 3.41Å; A105-Y109 HydrophobicContact CB-CE2 4.17Å; A105-Y109 WeakPolarHBondContact O-CD2 3.38Å; A105-Y109 PolarHBondContact O-N 3.11Å; I106-Y109 PolarHBondContact O-N 3.29Å; I106-Y109 VanDerWaalsContact O-N 3.11Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.49Å; Y109-L112 HydrophobicContact CD1-CD1 3.93Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 3.41Å; Y109-I113 WeakPolarHBondContact O-CB 3.45Å; Y109-I113 WeakPolarHBondContact O-CD1 3.42Å; Y109-I113 WeakPolarHBondContact O-CG1 3.35Å; Y109-I113 PolarHBondContact O-N 3.19Å; Y109-R125 HydrophobicContact CD1-CB 4.05Å; Y109-R125 HydrophobicContact CD2-CB 4.09Å; Y109-R125 HydrophobicContact CE1-CB 3.58Å; Y109-R125 HydrophobicContact CE1-CG 4.07Å; Y109-R125 HydrophobicContact CE2-CB 3.6Å; Y109-R125 HydrophobicContact CG-CB 4.31Å; Y109-K126 HydrophobicContact CG-CB 4.49Å
110	D	96.8	Very high	95.5	Very high	47 Å²	47	56.2 Å²	56.2	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-39.7	172.6	-78.2	-32.6	0	0	0	111.9	I106 I108 K114 K126	I106-D110 PolarHBondContact O-N 3.19Å; I108-D110 PolarHBondContact O-N 3.11Å; D110-K114 VanDerWaalsContact O-CG 3.29Å; D110-K114 WeakPolarHBondContact O-CG 3.46Å; D110-K114 PolarHBondContact O-N 3.01Å; D110-K114 VanDerWaalsContact O-N 3.08Å; D110-K126 WeakPolarHBondContact OD1-CD 3.45Å; D110-K126 WeakPolarHBondContact OD1-CE 3.37Å; D110-K126 IonicContact OD1-NZ 2.72Å; D110-K126 PolarHBondContact OD1-NZ 3.35Å
111	T	96.6	Very high	95.4	Very high	55 Å²	55	58.8 Å²	58.8	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-45.8	175.5	-57.3	0	0	0	0	111.1	H107 I108 Y109 I113 K114 V115	H107-T111 PolarHBondContact O-N 3.12Å; H107-T111 VanDerWaalsContact O-N 3.15Å; H107-T111 PolarHBondContact O-OG1 3.46Å; I108-T111 WeakPolarHBondContact O-CB 3.41Å; I108-T111 PolarHBondContact O-N 3.14Å; I108-T111 VanDerWaalsContact O-N 3.14Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.49Å; T111-I113 PolarHBondContact O-N 2.79Å; T111-K114 PolarHBondContact O-N 3.5Å; T111-V115 WeakPolarHBondContact O-CG2 3.28Å; T111-V115 PolarHBondContact O-N 3.24Å; T111-V115 VanDerWaalsContact O-N 3.1Å
112	L	96.4	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-42.1	177.3	-75.6	168.3	0	0	0	112.3	Q86 L89 R90 I108 Y109 V115 D116 N122	Q86-L112 HydrophobicContact CB-CD2 3.83Å; Q86-L112 HydrophobicContact CG-CD2 4.26Å; L89-L112 HydrophobicContact CB-CD1 4.37Å; L89-L112 HydrophobicContact CB-CD2 3.82Å; L89-L112 HydrophobicContact CB-CG 4.21Å; L89-L112 HydrophobicContact CD1-CD2 4.09Å; R90-L112 HydrophobicContact CB-CD1 4.46Å; R90-L112 HydrophobicContact CG-CD1 3.55Å; R90-L112 HydrophobicContact CG-CD2 4.3Å; I108-L112 HydrophobicContact CG2-CD1 3.97Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CG 2.91Å; I108-L112 PolarHBondContact O-N 2.93Å; Y109-L112 HydrophobicContact CD1-CD1 3.93Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 3.41Å; L112-V115 PolarHBondContact O-N 2.68Å; L112-D116 PolarHBondContact O-N 2.93Å; L112-N122 HydrophobicContact CB-CB 4.33Å
113	I	94.8	Very high	95	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-41.2	176.6	-74.2	163.8	0	0	0	111.4	Y109 T111 V115 D116 P117 N122 Y123 K126	Y109-I113 WeakPolarHBondContact O-CB 3.45Å; Y109-I113 WeakPolarHBondContact O-CD1 3.42Å; Y109-I113 WeakPolarHBondContact O-CG1 3.35Å; Y109-I113 PolarHBondContact O-N 3.19Å; T111-I113 PolarHBondContact O-N 2.79Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-D116 CarbonylContact O-C 3.38Å; I113-D116 VanDerWaalsContact O-C 3.28Å; I113-P117 VanDerWaalsContact O-CA 3.3Å; I113-P117 WeakPolarHBondContact O-CA 3.49Å; I113-P117 VanDerWaalsContact O-N 3.12Å; I113-N122 HydrophobicContact CD1-CB 4.48Å; I113-N122 HydrophobicContact CG1-CB 3.75Å; I113-Y123 HydrophobicContact CB-CE1 4.43Å; I113-Y123 HydrophobicContact CD1-CD1 3.71Å; I113-Y123 HydrophobicContact CD1-CE1 3.93Å; I113-Y123 HydrophobicContact CD1-CG 4.07Å; I113-Y123 HydrophobicContact CG1-CD1 4.12Å; I113-Y123 HydrophobicContact CG1-CD2 4.24Å; I113-Y123 HydrophobicContact CG1-CE1 4.03Å; I113-Y123 HydrophobicContact CG1-CE2 4.18Å; I113-Y123 HydrophobicContact CG1-CG 4.23Å; I113-Y123 HydrophobicContact CG2-CD1 4.42Å; I113-Y123 HydrophobicContact CG2-CE1 3.53Å; I113-Y123 HydrophobicContact CG2-CE2 4.21Å; I113-Y123 VanDerWaalsContact CG2-CZ 3.42Å; I113-Y123 VanDerWaalsContact CG2-OH 3.27Å; I113-Y123 WeakPolarHBondContact CG2-OH 3.29Å; I113-K126 HydrophobicContact CD1-CD 4.04Å
114	K	94.7	Very high	94.9	Very high	173 Å²	173	52 Å²	52	75%	0.752	27%	0.273	S	S	*	.	H	α-helix	trans	-65.3	-37.2	177	-75.1	172.2	-176.5	177	0	112.3	D110 T111	D110-K114 VanDerWaalsContact O-CG 3.29Å; D110-K114 WeakPolarHBondContact O-CG 3.46Å; D110-K114 PolarHBondContact O-N 3.01Å; D110-K114 VanDerWaalsContact O-N 3.08Å; T111-K114 PolarHBondContact O-N 3.5Å
115	V	94.3	Very high	94.8	Very high	90 Å²	90	52.3 Å²	52.3	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-74.9	-42.7	-179.9	174.5	0	0	0	0	111.4	Q86 T111 L112 I113	Q86-V115 HydrophobicContact CG-CG1 4.07Å; T111-V115 WeakPolarHBondContact O-CG2 3.28Å; T111-V115 PolarHBondContact O-N 3.24Å; T111-V115 VanDerWaalsContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 2.68Å; I113-V115 VanDerWaalsContact C-N 3.33Å
116	D	92.1	Very high	94.7	Very high	37 Å²	37	53.1 Å²	53.1	20%	0.198	27%	0.274	C	S	.	.			trans	-135.9	92.3	177.6	179.7	11.1	0	0	0	110.5	L112 I113 T118	L112-D116 PolarHBondContact O-N 2.93Å; I113-D116 CarbonylContact O-C 3.38Å; I113-D116 VanDerWaalsContact O-C 3.28Å; D116-T118 PolarHBondContact O-N 3.4Å; D116-T118 WeakPolarHBondContact OD1-CB 3.41Å; D116-T118 PolarHBondContact OD1-N 3.24Å; D116-T118 PolarHBondContact OD1-OG1 2.78Å
117	P	91.1	Very high	94.7	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.3	178.3	31.1	-35.6	0	0	0	112.8	I113 Y123 F150	I113-P117 VanDerWaalsContact O-CA 3.3Å; I113-P117 WeakPolarHBondContact O-CA 3.49Å; I113-P117 VanDerWaalsContact O-N 3.12Å; P117-Y123 WeakPolarHBondContact O-CE2 3.39Å; P117-F150 WeakPolarHBondContact O-CZ 3.36Å
118	T	90.4	Very high	94.6	Very high	99 Å²	99	48.4 Å²	48.4	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.3	-177.6	72.2	0	0	0	0	113.2	D116 P120	D116-T118 PolarHBondContact O-N 3.4Å; D116-T118 WeakPolarHBondContact OD1-CB 3.41Å; D116-T118 PolarHBondContact OD1-N 3.24Å; D116-T118 PolarHBondContact OD1-OG1 2.78Å; T118-P120 WeakPolarHBondContact O-CD 3.4Å
119	N	90.8	Very high	94.6	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	25%	0.253	C	S	.	.			trans	-93.3	102.8	-177.4	-171	-21.9	0	0	0	112.1	L121 N122 Y123	N119-L121 PolarHBondContact O-N 3.01Å; N119-L121 VanDerWaalsContact OD1-CB 3.29Å; N119-L121 WeakPolarHBondContact OD1-CB 3.45Å; N119-L121 PolarHBondContact OD1-N 3.26Å; N119-N122 PolarHBondContact O-N 3.2Å; N119-Y123 WeakPolarHBondContact O-CD2 3.37Å
120	P	91.7	Very high	94.6	Very high	42 Å²	42	47.3 Å²	47.3	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-22.7	-177.6	28.1	-37.1	0	0	0	113.2	T118 N122 Y123 K124	T118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-N122 VanDerWaalsContact C-N 3.33Å; P120-N122 PolarHBondContact O-N 3.13Å; P120-Y123 PolarHBondContact O-N 3.46Å; P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 3.46Å
121	L	92.8	Very high	94.6	Very high	107 Å²	107	46.3 Å²	46.3	56%	0.56	25%	0.249	S	C	*	.	H	α-helix	trans	-64.8	-37.5	-177.7	-62.6	173.1	0	0	0	111.8	N119 Y123 K124 R125	N119-L121 PolarHBondContact O-N 3.01Å; N119-L121 VanDerWaalsContact OD1-CB 3.29Å; N119-L121 WeakPolarHBondContact OD1-CB 3.45Å; N119-L121 PolarHBondContact OD1-N 3.26Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 2.93Å; L121-K124 PolarHBondContact O-N 2.69Å; L121-R125 WeakPolarHBondContact O-CG 3.45Å; L121-R125 PolarHBondContact O-N 3.06Å
122	N	93.9	Very high	94.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-40.4	179.9	-61.8	-34.2	0	0	0	111.2	L112 I113 N119 P120 K126	L112-N122 HydrophobicContact CB-CB 4.33Å; I113-N122 HydrophobicContact CD1-CB 4.48Å; I113-N122 HydrophobicContact CG1-CB 3.75Å; N119-N122 PolarHBondContact O-N 3.2Å; P120-N122 VanDerWaalsContact C-N 3.33Å; P120-N122 PolarHBondContact O-N 3.13Å; N122-K126 PolarHBondContact O-N 2.95Å; N122-K126 VanDerWaalsContact O-N 3.08Å
123	Y	94.2	Very high	94.7	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-48.7	174.1	-66.3	-85.2	0	0	0	111.4	I113 P117 N119 P120 L121 R125 K126 V127 H146 K149 F150	I113-Y123 HydrophobicContact CB-CE1 4.43Å; I113-Y123 HydrophobicContact CD1-CD1 3.71Å; I113-Y123 HydrophobicContact CD1-CE1 3.93Å; I113-Y123 HydrophobicContact CD1-CG 4.07Å; I113-Y123 HydrophobicContact CG1-CD1 4.12Å; I113-Y123 HydrophobicContact CG1-CD2 4.24Å; I113-Y123 HydrophobicContact CG1-CE1 4.03Å; I113-Y123 HydrophobicContact CG1-CE2 4.18Å; I113-Y123 HydrophobicContact CG1-CG 4.23Å; I113-Y123 HydrophobicContact CG2-CD1 4.42Å; I113-Y123 HydrophobicContact CG2-CE1 3.53Å; I113-Y123 HydrophobicContact CG2-CE2 4.21Å; I113-Y123 VanDerWaalsContact CG2-CZ 3.42Å; I113-Y123 VanDerWaalsContact CG2-OH 3.27Å; I113-Y123 WeakPolarHBondContact CG2-OH 3.29Å; P117-Y123 WeakPolarHBondContact O-CE2 3.39Å; N119-Y123 WeakPolarHBondContact O-CD2 3.37Å; P120-Y123 PolarHBondContact O-N 3.46Å; L121-Y123 VanDerWaalsContact C-N 3.34Å; L121-Y123 PolarHBondContact O-N 2.93Å; Y123-R125 VanDerWaalsContact C-N 3.32Å; Y123-R125 PolarHBondContact O-N 3.2Å; Y123-K126 WeakPolarHBondContact O-CB 3.48Å; Y123-K126 PolarHBondContact O-N 3.13Å; Y123-V127 WeakPolarHBondContact O-CG2 3.48Å; Y123-V127 PolarHBondContact O-N 3.08Å; Y123-H146 WeakPolarHBondContact CB-ND1 3.34Å; Y123-H146 AromaticContact CD2-ND1 3.78Å; Y123-H146 AromaticContact CG-ND1 3.53Å; Y123-K149 PolarHBondContact OH-NZ 3.49Å; Y123-F150 HydrophobicContact CD2-CE2 4.31Å; Y123-F150 HydrophobicContact CE2-CE2 4.01Å
124	K	94.4	Very high	94.7	Very high	50 Å²	50	51.6 Å²	51.6	22%	0.217	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-41.8	178.4	-73.1	-179.1	176.6	178.5	0	112.4	P120 L121 V127 A128 D153 E155	P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 3.46Å; L121-K124 PolarHBondContact O-N 2.69Å; K124-V127 PolarHBondContact O-N 2.83Å; K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 2.81Å; K124-D153 WeakPolarHBondContact CE-OD1 3.42Å; K124-D153 WeakPolarHBondContact CE-OD2 3.43Å; K124-D153 IonicContact NZ-OD1 2.94Å; K124-D153 PolarHBondContact NZ-OD1 3.46Å; K124-D153 IonicContact NZ-OD2 2.78Å; K124-D153 PolarHBondContact NZ-OD2 3.36Å; K124-E155 IonicContact NZ-OE2 2.62Å; K124-E155 PolarHBondContact NZ-OE2 3.29Å
125	R	96	Very high	94.8	Very high	96 Å²	96	46.8 Å²	46.8	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-43.8	177	-66.1	-56.8	-64.5	178.4	-10.7	112.5	E97 Y109 L121 Y123 V127 A128 S129	E97-R125 IonicContact OE1-CZ 2.93Å; E97-R125 IonicContact OE1-NE 3.72Å; E97-R125 PolarHBondContact OE1-NE 3.26Å; E97-R125 VanDerWaalsContact OE1-NE 3.12Å; E97-R125 IonicContact OE1-NH2 2.99Å; E97-R125 PolarHBondContact OE1-NH2 3.38Å; E97-R125 IonicContact OE2-CZ 3.24Å; E97-R125 VanDerWaalsContact OE2-CZ 3.3Å; E97-R125 IonicContact OE2-NE 2.76Å; E97-R125 IonicContact OE2-NH2 3.98Å; E97-R125 PolarHBondContact OE2-NH2 2.85Å; Y109-R125 HydrophobicContact CD1-CB 4.05Å; Y109-R125 HydrophobicContact CD2-CB 4.09Å; Y109-R125 HydrophobicContact CE1-CB 3.58Å; Y109-R125 HydrophobicContact CE1-CG 4.07Å; Y109-R125 HydrophobicContact CE2-CB 3.6Å; Y109-R125 HydrophobicContact CG-CB 4.31Å; L121-R125 WeakPolarHBondContact O-CG 3.45Å; L121-R125 PolarHBondContact O-N 3.06Å; Y123-R125 VanDerWaalsContact C-N 3.32Å; Y123-R125 PolarHBondContact O-N 3.2Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.37Å; R125-A128 PolarHBondContact O-N 3.37Å; R125-S129 PolarHBondContact O-N 2.85Å; R125-S129 PolarHBondContact O-OG 3.01Å; R125-S129 VanDerWaalsContact O-OG 3.14Å
126	K	97.1	Very high	95	Very high	16 Å²	16	43.3 Å²	43.3	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-48.4	173.2	179.1	-179.7	175.6	-175.1	0	111.5	I106 Y109 D110 I113 N122 Y123 A128 S129 L130 E142	I106-K126 HydrophobicContact CG2-CG 4.27Å; Y109-K126 HydrophobicContact CG-CB 4.49Å; D110-K126 WeakPolarHBondContact OD1-CD 3.45Å; D110-K126 WeakPolarHBondContact OD1-CE 3.37Å; D110-K126 IonicContact OD1-NZ 2.72Å; D110-K126 PolarHBondContact OD1-NZ 3.35Å; I113-K126 HydrophobicContact CD1-CD 4.04Å; N122-K126 PolarHBondContact O-N 2.95Å; N122-K126 VanDerWaalsContact O-N 3.08Å; Y123-K126 WeakPolarHBondContact O-CB 3.48Å; Y123-K126 PolarHBondContact O-N 3.13Å; K126-A128 PolarHBondContact O-N 3.15Å; K126-S129 PolarHBondContact O-N 3.01Å; K126-L130 HydrophobicContact CG-CD1 4.19Å; K126-L130 WeakPolarHBondContact O-CG 3.29Å; K126-L130 PolarHBondContact O-N 3.45Å; K126-E142 WeakPolarHBondContact CE-OE1 3.17Å; K126-E142 WeakPolarHBondContact CE-OE2 3.44Å; K126-E142 IonicContact NZ-OE1 3.04Å; K126-E142 PolarHBondContact NZ-OE1 3.48Å; K126-E142 IonicContact NZ-OE2 2.85Å; K126-E142 PolarHBondContact NZ-OE2 3.13Å
127	V	96.9	Very high	95.2	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-48	177.1	169.7	0	0	0	0	110.7	Y123 K124 R125 S129 L130 V131 A139 E142 L143 E159	Y123-V127 WeakPolarHBondContact O-CG2 3.48Å; Y123-V127 PolarHBondContact O-N 3.08Å; K124-V127 PolarHBondContact O-N 2.83Å; R125-V127 VanDerWaalsContact C-N 3.32Å; R125-V127 PolarHBondContact O-N 3.37Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.48Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 2.86Å; V127-L130 VanDerWaalsContact O-N 3.15Å; V127-V131 HydrophobicContact CG1-CG2 4.4Å; V127-V131 WeakPolarHBondContact O-CG2 3.33Å; V127-V131 PolarHBondContact O-N 2.86Å; V127-A139 HydrophobicContact CG1-CB 4.37Å; V127-E142 HydrophobicContact CG2-CB 4.01Å; V127-L143 HydrophobicContact CB-CD2 4.5Å; V127-L143 HydrophobicContact CB-CG 4.36Å; V127-L143 HydrophobicContact CG1-CD1 3.72Å; V127-L143 HydrophobicContact CG1-CD2 4.04Å; V127-L143 HydrophobicContact CG1-CG 3.67Å; V127-L143 HydrophobicContact CG2-CD2 3.98Å; V127-L143 HydrophobicContact CG2-CG 3.77Å; V127-E159 HydrophobicContact CG1-CG 4.38Å
128	A	96.8	Very high	95.5	Very high	40 Å²	40	48.3 Å²	48.3	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-42.3	177.7	0	0	0	0	0	112.5	K124 R125 K126 V131 A132	K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 2.81Å; R125-A128 PolarHBondContact O-N 3.37Å; K126-A128 PolarHBondContact O-N 3.15Å; A128-V131 PolarHBondContact O-N 3.37Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.36Å
129	S	97.6	Very high	95.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-40	175.5	-55.8	0	0	0	0	112.4	R125 K126 V127 A132 L133	R125-S129 PolarHBondContact O-N 2.85Å; R125-S129 PolarHBondContact O-OG 3.01Å; R125-S129 VanDerWaalsContact O-OG 3.14Å; K126-S129 PolarHBondContact O-N 3.01Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.48Å; S129-A132 PolarHBondContact O-N 3.02Å; S129-L133 WeakPolarHBondContact O-CG 3.27Å; S129-L133 PolarHBondContact O-N 3.02Å
130	L	97.9	Very high	96.3	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-42.3	175.1	-72	168.1	0	0	0	112	I106 K126 V127 L133 G134 K135 E138 A139 E142	I106-L130 HydrophobicContact CD1-CD2 3.71Å; I106-L130 HydrophobicContact CD1-CG 3.93Å; K126-L130 HydrophobicContact CG-CD1 4.19Å; K126-L130 WeakPolarHBondContact O-CG 3.29Å; K126-L130 PolarHBondContact O-N 3.45Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 2.86Å; V127-L130 VanDerWaalsContact O-N 3.15Å; L130-L133 PolarHBondContact O-N 2.89Å; L130-G134 PolarHBondContact O-N 3.16Å; L130-K135 HydrophobicContact CB-CB 4.43Å; L130-K135 HydrophobicContact CD2-CB 4.1Å; L130-K135 HydrophobicContact CD2-CD 3.8Å; L130-K135 WeakPolarHBondContact O-CB 3.5Å; L130-K135 PolarHBondContact O-N 2.91Å; L130-E138 HydrophobicContact CD1-CB 4.27Å; L130-E138 HydrophobicContact CD2-CB 4.06Å; L130-A139 HydrophobicContact CB-CB 3.89Å; L130-E142 HydrophobicContact CD1-CB 4.44Å; L130-E142 HydrophobicContact CD1-CG 3.8Å
131	V	96.9	Very high	96.5	Very high	27 Å²	27	47 Å²	47	16%	0.164	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-42.5	176.3	173.5	0	0	0	0	111	V127 A128 L133 G134 A139 L163	V127-V131 HydrophobicContact CG1-CG2 4.4Å; V127-V131 WeakPolarHBondContact O-CG2 3.33Å; V127-V131 PolarHBondContact O-N 2.86Å; A128-V131 PolarHBondContact O-N 3.37Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.3Å; V131-G134 PolarHBondContact O-N 3.03Å; V131-A139 HydrophobicContact CG2-CB 3.74Å; V131-L163 HydrophobicContact CG1-CD2 4.46Å; V131-L163 HydrophobicContact CG2-CD1 4.19Å; V131-L163 HydrophobicContact CG2-CD2 3.72Å
132	A	96.4	Very high	96.7	Very high	72 Å²	72	44 Å²	44	60%	0.595	23%	0.234	S	C	*	.	H	α-helix	trans	-64.4	-33.9	176.9	0	0	0	0	0	112.8	L102 A128 S129 G134	L102-A132 HydrophobicContact CD1-CB 3.63Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.36Å; S129-A132 PolarHBondContact O-N 3.02Å; A132-G134 PolarHBondContact O-N 3.23Å
133	L	97.3	Very high	96.8	Very high	67 Å²	67	44.2 Å²	44.2	35%	0.351	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.8	171.7	-74.3	170.2	0	0	0	114	L102 L103 I106 S129 L130 V131 K135	L102-L133 HydrophobicContact CB-CD1 3.83Å; L102-L133 HydrophobicContact CB-CD2 3.93Å; L102-L133 HydrophobicContact CB-CG 3.74Å; L102-L133 HydrophobicContact CD1-CD2 3.93Å; L102-L133 HydrophobicContact CD1-CG 3.76Å; L102-L133 HydrophobicContact CG-CD2 4.5Å; L102-L133 HydrophobicContact CG-CG 4.41Å; L103-L133 HydrophobicContact CD2-CD1 3.62Å; L103-L133 HydrophobicContact CG-CD1 3.98Å; I106-L133 HydrophobicContact CD1-CD1 3.71Å; S129-L133 WeakPolarHBondContact O-CG 3.27Å; S129-L133 PolarHBondContact O-N 3.02Å; L130-L133 PolarHBondContact O-N 2.89Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.3Å; L133-K135 HydrophobicContact CB-CD 4.1Å; L133-K135 HydrophobicContact CB-CG 4.06Å; L133-K135 HydrophobicContact CD1-CD 4.16Å; L133-K135 PolarHBondContact O-N 3.44Å
134	G	96.1	Very high	96.9	Very high	46 Å²	46	45.9 Å²	45.9	47%	0.474	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	8.8	-174.4	0	0	0	0	0	114.2	L130 V131 A132 V136	L130-G134 PolarHBondContact O-N 3.16Å; V131-G134 PolarHBondContact O-N 3.03Å; A132-G134 PolarHBondContact O-N 3.23Å; G134-V136 PolarHBondContact O-N 3.12Å
135	K	97.2	Very high	96.9	Very high	72 Å²	72	47 Å²	47	31%	0.313	26%	0.256	S	S	.	.			trans	-80.7	57.1	178.9	-66.5	175.6	150.8	-131.3	0	111.6	L130 L133 Q137 E138 A139	L130-K135 HydrophobicContact CB-CB 4.43Å; L130-K135 HydrophobicContact CD2-CB 4.1Å; L130-K135 HydrophobicContact CD2-CD 3.8Å; L130-K135 WeakPolarHBondContact O-CB 3.5Å; L130-K135 PolarHBondContact O-N 2.91Å; L133-K135 HydrophobicContact CB-CD 4.1Å; L133-K135 HydrophobicContact CB-CG 4.06Å; L133-K135 HydrophobicContact CD1-CD 4.16Å; L133-K135 PolarHBondContact O-N 3.44Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 3.15Å; K135-E138 HydrophobicContact CB-CB 4.22Å; K135-E138 HydrophobicContact CB-CG 4.42Å; K135-E138 WeakPolarHBondContact CD-OE1 3.35Å; K135-E138 VanDerWaalsContact CE-OE1 3.32Å; K135-E138 WeakPolarHBondContact CE-OE1 3.45Å; K135-E138 VanDerWaalsContact NZ-CD 3.34Å; K135-E138 IonicContact NZ-OE1 3.31Å; K135-E138 PolarHBondContact NZ-OE1 3.45Å; K135-E138 IonicContact NZ-OE2 3.34Å; K135-E138 PolarHBondContact NZ-OE2 3.41Å; K135-E138 PolarHBondContact O-N 2.95Å; K135-A139 PolarHBondContact O-N 3.35Å
136	V	97.3	Very high	96.8	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-39.3	-170.8	179.8	0	0	0	0	112.6	G134 A139 I140 L163 V167	G134-V136 PolarHBondContact O-N 3.12Å; V136-A139 PolarHBondContact O-N 3.23Å; V136-I140 HydrophobicContact CG1-CD1 4.05Å; V136-I140 HydrophobicContact CG1-CG1 4.48Å; V136-I140 WeakPolarHBondContact O-CG1 3.22Å; V136-I140 PolarHBondContact O-N 3.08Å; V136-L163 HydrophobicContact CG1-CB 4.43Å; V136-L163 HydrophobicContact CG1-CD2 4.35Å; V136-V167 HydrophobicContact CB-CG1 4.41Å; V136-V167 HydrophobicContact CG1-CG1 3.57Å
137	Q	97.4	Very high	96.7	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-68.9	-37.1	179.7	-65	-64	-1.3	0	0	113.1	K135 I140 K141	K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 3.15Å; Q137-I140 PolarHBondContact O-N 3.11Å; Q137-K141 PolarHBondContact O-N 3.37Å; Q137-K141 VanDerWaalsContact O-N 3.11Å
138	E	97.4	Very high	96.6	Very high	92 Å²	92	46.4 Å²	46.4	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-43.6	173	-65.7	175.8	-126.8	0	0	110.1	L130 K135 I140 K141 E142	L130-E138 HydrophobicContact CD1-CB 4.27Å; L130-E138 HydrophobicContact CD2-CB 4.06Å; K135-E138 HydrophobicContact CB-CB 4.22Å; K135-E138 HydrophobicContact CB-CG 4.42Å; K135-E138 WeakPolarHBondContact CD-OE1 3.35Å; K135-E138 VanDerWaalsContact CE-OE1 3.32Å; K135-E138 WeakPolarHBondContact CE-OE1 3.45Å; K135-E138 VanDerWaalsContact NZ-CD 3.34Å; K135-E138 IonicContact NZ-OE1 3.31Å; K135-E138 PolarHBondContact NZ-OE1 3.45Å; K135-E138 IonicContact NZ-OE2 3.34Å; K135-E138 PolarHBondContact NZ-OE2 3.41Å; K135-E138 PolarHBondContact O-N 2.95Å; E138-I140 PolarHBondContact O-N 2.97Å; E138-K141 PolarHBondContact O-N 3.11Å; E138-E142 WeakPolarHBondContact O-CG 3.37Å; E138-E142 PolarHBondContact O-N 3.38Å
139	A	98	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-42.2	176.7	0	0	0	0	0	112.8	V127 L130 V131 K135 V136 E142 L143 L163	V127-A139 HydrophobicContact CG1-CB 4.37Å; L130-A139 HydrophobicContact CB-CB 3.89Å; V131-A139 HydrophobicContact CG2-CB 3.74Å; K135-A139 PolarHBondContact O-N 3.35Å; V136-A139 PolarHBondContact O-N 3.23Å; A139-E142 PolarHBondContact O-N 2.97Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3.18Å; A139-L163 HydrophobicContact CB-CD1 3.74Å
140	I	98.2	Very high	96	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-47.5	174.3	-73.2	168.6	0	0	0	110.5	V136 Q137 E138 E142 L143 C144 L160 L163 Y164 V167	V136-I140 HydrophobicContact CG1-CD1 4.05Å; V136-I140 HydrophobicContact CG1-CG1 4.48Å; V136-I140 WeakPolarHBondContact O-CG1 3.22Å; V136-I140 PolarHBondContact O-N 3.08Å; Q137-I140 PolarHBondContact O-N 3.11Å; E138-I140 PolarHBondContact O-N 2.97Å; I140-E142 PolarHBondContact O-N 3.37Å; I140-L143 PolarHBondContact O-N 2.77Å; I140-C144 PolarHBondContact O-N 3.39Å; I140-C144 PolarHBondContact O-SG 3.06Å; I140-C144 VanDerWaalsContact O-SG 3.33Å; I140-L160 HydrophobicContact CB-CD1 4.49Å; I140-L160 HydrophobicContact CG1-CD1 4.42Å; I140-L160 HydrophobicContact CG2-CD1 4.12Å; I140-L163 HydrophobicContact CD1-CB 4.14Å; I140-L163 HydrophobicContact CG1-CB 3.67Å; I140-L163 HydrophobicContact CG1-CD1 3.92Å; I140-L163 HydrophobicContact CG1-CG 4.47Å; I140-Y164 HydrophobicContact CD1-CD1 4.08Å; I140-Y164 HydrophobicContact CD1-CE1 4.16Å; I140-Y164 HydrophobicContact CG1-CE1 4.45Å; I140-Y164 HydrophobicContact CG2-CD1 4.48Å; I140-Y164 HydrophobicContact CG2-CE1 3.57Å; I140-V167 HydrophobicContact CD1-CG1 4.35Å; I140-V167 HydrophobicContact CD1-CG2 4.01Å
141	K	97.5	Very high	95.8	Very high	137 Å²	137	58.7 Å²	58.7	60%	0.596	32%	0.317	S	S	*	.	H	α-helix	trans	-59.4	-48.1	179.2	-177.7	-177.9	173.2	-174.1	0	111.4	Q137 E138 L143 C144 D145	Q137-K141 PolarHBondContact O-N 3.37Å; Q137-K141 VanDerWaalsContact O-N 3.11Å; E138-K141 PolarHBondContact O-N 3.11Å; K141-L143 VanDerWaalsContact C-N 3.34Å; K141-L143 PolarHBondContact O-N 3.22Å; K141-C144 PolarHBondContact O-N 3.07Å; K141-D145 PolarHBondContact O-N 3.31Å
142	E	96.2	Very high	95.6	Very high	46 Å²	46	64.8 Å²	64.8	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-37.7	179.4	-67.3	-69.9	159.2	0	0	112.5	K126 V127 L130 E138 A139 I140 D145 H146	K126-E142 WeakPolarHBondContact CE-OE1 3.17Å; K126-E142 WeakPolarHBondContact CE-OE2 3.44Å; K126-E142 IonicContact NZ-OE1 3.04Å; K126-E142 PolarHBondContact NZ-OE1 3.48Å; K126-E142 IonicContact NZ-OE2 2.85Å; K126-E142 PolarHBondContact NZ-OE2 3.13Å; V127-E142 HydrophobicContact CG2-CB 4.01Å; L130-E142 HydrophobicContact CD1-CB 4.44Å; L130-E142 HydrophobicContact CD1-CG 3.8Å; E138-E142 WeakPolarHBondContact O-CG 3.37Å; E138-E142 PolarHBondContact O-N 3.38Å; A139-E142 PolarHBondContact O-N 2.97Å; I140-E142 PolarHBondContact O-N 3.37Å; E142-D145 PolarHBondContact O-N 2.95Å; E142-H146 WeakPolarHBondContact O-CB 3.47Å; E142-H146 PolarHBondContact O-N 3.5Å
143	L	96.3	Very high	95.5	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-68	-40.1	174.8	-83.8	172.7	0	0	0	112.9	V127 A139 I140 K141 D145 H146 L147 A156 E159 L160 L163	V127-L143 HydrophobicContact CB-CD2 4.5Å; V127-L143 HydrophobicContact CB-CG 4.36Å; V127-L143 HydrophobicContact CG1-CD1 3.72Å; V127-L143 HydrophobicContact CG1-CD2 4.04Å; V127-L143 HydrophobicContact CG1-CG 3.67Å; V127-L143 HydrophobicContact CG2-CD2 3.98Å; V127-L143 HydrophobicContact CG2-CG 3.77Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3.18Å; I140-L143 PolarHBondContact O-N 2.77Å; K141-L143 VanDerWaalsContact C-N 3.34Å; K141-L143 PolarHBondContact O-N 3.22Å; L143-D145 VanDerWaalsContact C-N 3.34Å; L143-H146 WeakPolarHBondContact O-CB 3.2Å; L143-H146 PolarHBondContact O-N 3.21Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.28Å; L143-A156 HydrophobicContact CD2-CB 4.07Å; L143-E159 HydrophobicContact CD1-CB 4.1Å; L143-E159 HydrophobicContact CD1-CG 3.75Å; L143-L160 HydrophobicContact CB-CB 4.41Å; L143-L160 HydrophobicContact CB-CD1 4.04Å; L143-L160 HydrophobicContact CD1-CB 4.1Å; L143-L160 HydrophobicContact CD1-CD1 4.37Å; L143-L163 HydrophobicContact CD1-CD1 3.61Å; L143-L163 HydrophobicContact CD1-CG 4.44Å
144	C	96.9	Very high	95.3	Very high	48 Å²	48	60.9 Å²	60.9	32%	0.324	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-45.2	173.3	-70	0	0	0	0	111.1	I140 K141 H146 L147 S148 Y164	I140-C144 PolarHBondContact O-N 3.39Å; I140-C144 PolarHBondContact O-SG 3.06Å; I140-C144 VanDerWaalsContact O-SG 3.33Å; K141-C144 PolarHBondContact O-N 3.07Å; C144-H146 VanDerWaalsContact C-N 3.31Å; C144-H146 PolarHBondContact O-N 3.14Å; C144-L147 PolarHBondContact O-N 3.37Å; C144-S148 PolarHBondContact O-N 3.45Å; C144-Y164 PolarHBondContact SG-OH 3Å; C144-Y164 VanDerWaalsContact SG-OH 3.39Å
145	D	94.4	Very high	95.1	Very high	73 Å²	73	65 Å²	65	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-37.3	177.3	-71.2	-11.2	0	0	0	111.3	K141 E142 L143 S148	K141-D145 PolarHBondContact O-N 3.31Å; E142-D145 PolarHBondContact O-N 2.95Å; L143-D145 VanDerWaalsContact C-N 3.34Å; D145-S148 PolarHBondContact O-OG 3.31Å
146	H	93.9	Very high	95.1	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-50.8	173.6	175.8	77.6	0	0	0	112.2	Y123 E142 L143 C144 S148 K149 F150 D153	Y123-H146 WeakPolarHBondContact CB-ND1 3.34Å; Y123-H146 AromaticContact CD2-ND1 3.78Å; Y123-H146 AromaticContact CG-ND1 3.53Å; E142-H146 WeakPolarHBondContact O-CB 3.47Å; E142-H146 PolarHBondContact O-N 3.5Å; L143-H146 WeakPolarHBondContact O-CB 3.2Å; L143-H146 PolarHBondContact O-N 3.21Å; C144-H146 VanDerWaalsContact C-N 3.31Å; C144-H146 PolarHBondContact O-N 3.14Å; H146-S148 PolarHBondContact O-N 3.49Å; H146-K149 WeakPolarHBondContact O-CA 3.49Å; H146-K149 WeakPolarHBondContact O-CB 3.11Å; H146-K149 PolarHBondContact O-N 3.09Å; H146-F150 AromaticContact CE1-CD2 3.28Å; H146-F150 WeakPolarHBondContact CE1-CD2 3.49Å; H146-F150 AromaticContact CE1-CE2 3.95Å; H146-F150 AromaticContact CE1-CG 3.84Å; H146-F150 AromaticContact ND1-CD2 3.39Å; H146-F150 WeakPolarHBondContact ND1-CD2 3.46Å; H146-F150 AromaticContact ND1-CE2 3.92Å; H146-F150 PolarHBondContact O-N 3.29Å; H146-D153 IonicContact CD2-OD2 3.17Å; H146-D153 IonicContact CE1-OD2 2.85Å; H146-D153 IonicContact NE2-OD2 2.67Å; H146-D153 PolarHBondContact NE2-OD2 2.94Å
147	L	94.9	Very high	95.1	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-24.9	-179.4	-75.5	170.3	0	0	0	113	L143 C144 K149 M151 A156 W157 L160	L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.34Å; L143-L147 PolarHBondContact O-N 3.28Å; C144-L147 PolarHBondContact O-N 3.37Å; L147-K149 PolarHBondContact O-N 3.09Å; L147-M151 VanDerWaalsContact O-CA 3.29Å; L147-M151 WeakPolarHBondContact O-CA 3.49Å; L147-M151 PolarHBondContact O-N 2.86Å; L147-A156 HydrophobicContact CD2-CB 3.68Å; L147-A156 HydrophobicContact CG-CB 4.05Å; L147-W157 HydrophobicContact CD1-CD2 3.79Å; L147-W157 HydrophobicContact CD1-CE3 3.84Å; L147-W157 HydrophobicContact CD1-CG 4.26Å; L147-W157 HydrophobicContact CD1-CH2 4.35Å; L147-W157 HydrophobicContact CD1-CZ2 4.31Å; L147-W157 HydrophobicContact CD1-CZ3 4.13Å; L147-W157 HydrophobicContact CD2-CD2 4.05Å; L147-W157 HydrophobicContact CD2-CG 3.99Å; L147-W157 HydrophobicContact CD2-CZ2 4.39Å; L147-L160 HydrophobicContact CD1-CB 4.24Å; L147-L160 HydrophobicContact CD1-CD2 3.56Å
148	S	94	Very high	95.1	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.4	170.1	80.3	0	0	0	0	113.3	C144 D145 H146	C144-S148 PolarHBondContact O-N 3.45Å; D145-S148 PolarHBondContact O-OG 3.31Å; H146-S148 PolarHBondContact O-N 3.49Å
149	K	91.4	Very high	95	Very high	124 Å²	124	57 Å²	57	54%	0.539	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-39.5	178.7	-59.2	168.5	-172.6	168.7	0	112.1	Y123 H146 L147	Y123-K149 PolarHBondContact OH-NZ 3.49Å; H146-K149 WeakPolarHBondContact O-CA 3.49Å; H146-K149 WeakPolarHBondContact O-CB 3.11Å; H146-K149 PolarHBondContact O-N 3.09Å; L147-K149 PolarHBondContact O-N 3.09Å
150	F	91.3	Very high	95.1	Very high	53 Å²	53	57.2 Å²	57.2	23%	0.232	29%	0.29	C	S	.	.			trans	-118.9	59.2	-175.2	-57.2	-80.8	0	0	0	111	P117 Y123 H146 N152 D153	P117-F150 WeakPolarHBondContact O-CZ 3.36Å; Y123-F150 HydrophobicContact CD2-CE2 4.31Å; Y123-F150 HydrophobicContact CE2-CE2 4.01Å; H146-F150 AromaticContact CE1-CD2 3.28Å; H146-F150 WeakPolarHBondContact CE1-CD2 3.49Å; H146-F150 AromaticContact CE1-CE2 3.95Å; H146-F150 AromaticContact CE1-CG 3.84Å; H146-F150 AromaticContact ND1-CD2 3.39Å; H146-F150 WeakPolarHBondContact ND1-CD2 3.46Å; H146-F150 AromaticContact ND1-CE2 3.92Å; H146-F150 PolarHBondContact O-N 3.29Å; F150-N152 PolarHBondContact O-N 2.83Å; F150-D153 HydrophobicContact CB-CB 4.13Å; F150-D153 VanDerWaalsContact O-CB 3.26Å; F150-D153 WeakPolarHBondContact O-CB 3.39Å; F150-D153 PolarHBondContact O-N 2.88Å
151	M	93.3	Very high	95.1	Very high	125 Å²	125	57 Å²	57	62%	0.616	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	-174.6	-173.1	173.2	57.2	0	0	114.1	L147 D153 W157	L147-M151 VanDerWaalsContact O-CA 3.29Å; L147-M151 WeakPolarHBondContact O-CA 3.49Å; L147-M151 PolarHBondContact O-N 2.86Å; M151-D153 VanDerWaalsContact C-N 3.33Å; M151-W157 PolarHBondContact O-NE1 3.46Å
152	N	92.5	Very high	95.1	Very high	156 Å²	156	55.6 Å²	55.6	83%	0.834	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.3	177.8	-66.1	-21.7	0	0	0	113.7	F150 H154	F150-N152 PolarHBondContact O-N 2.83Å; N152-H154 PolarHBondContact O-N 3.21Å
153	D	93.9	Very high	95.1	Very high	24 Å²	24	53.6 Å²	53.6	13%	0.128	28%	0.275	C	S	.	.			trans	-74.8	89.4	178.1	-170.1	-12	0	0	0	111	K124 H146 F150 M151 E155 A156 W157	K124-D153 WeakPolarHBondContact CE-OD1 3.42Å; K124-D153 WeakPolarHBondContact CE-OD2 3.43Å; K124-D153 IonicContact NZ-OD1 2.94Å; K124-D153 PolarHBondContact NZ-OD1 3.46Å; K124-D153 IonicContact NZ-OD2 2.78Å; K124-D153 PolarHBondContact NZ-OD2 3.36Å; H146-D153 IonicContact CD2-OD2 3.17Å; H146-D153 IonicContact CE1-OD2 2.85Å; H146-D153 IonicContact NE2-OD2 2.67Å; H146-D153 PolarHBondContact NE2-OD2 2.94Å; F150-D153 HydrophobicContact CB-CB 4.13Å; F150-D153 VanDerWaalsContact O-CB 3.26Å; F150-D153 WeakPolarHBondContact O-CB 3.39Å; F150-D153 PolarHBondContact O-N 2.88Å; M151-D153 VanDerWaalsContact C-N 3.33Å; D153-E155 VanDerWaalsContact C-N 3.28Å; D153-E155 PolarHBondContact O-N 2.84Å; D153-E155 PolarHBondContact OD1-N 3.31Å; D153-A156 HydrophobicContact CB-CB 3.99Å; D153-A156 WeakPolarHBondContact O-CB 3.47Å; D153-A156 PolarHBondContact O-N 3.12Å; D153-A156 VanDerWaalsContact O-N 3.15Å; D153-A156 PolarHBondContact OD1-N 2.97Å; D153-W157 PolarHBondContact O-N 3.23Å
154	H	92.7	Very high	95.2	Very high	33 Å²	33	54.1 Å²	54.1	15%	0.153	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-35.3	-176.6	-177.6	73.1	0	0	0	113.7	N152 A156 W157 V158 K184 F190	N152-H154 PolarHBondContact O-N 3.21Å; H154-A156 VanDerWaalsContact C-N 3.32Å; H154-W157 PolarHBondContact O-N 3.23Å; H154-V158 WeakPolarHBondContact O-CG2 3.43Å; H154-V158 PolarHBondContact O-N 3Å; H154-V158 VanDerWaalsContact O-N 3.12Å; H154-K184 PolarHBondContact CD2-NZ 3.33Å; H154-K184 PolarHBondContact NE2-NZ 3Å; H154-F190 AromaticContact CE1-CE2 3.36Å; H154-F190 WeakPolarHBondContact CE1-CE2 3.45Å; H154-F190 AromaticContact CE1-CZ 3.39Å; H154-F190 WeakPolarHBondContact CE1-CZ 3.43Å; H154-F190 AromaticContact NE2-CE2 3.67Å; H154-F190 AromaticContact NE2-CZ 3.28Å; H154-F190 VanDerWaalsContact NE2-CZ 3.28Å; H154-F190 WeakPolarHBondContact NE2-CZ 3.14Å
155	E	93.3	Very high	95.3	Very high	132 Å²	132	54 Å²	54	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-68.4	-35.9	178.6	-64.9	178.3	163.7	0	0	111.2	K124 D153 V158 E159	K124-E155 IonicContact NZ-OE2 2.62Å; K124-E155 PolarHBondContact NZ-OE2 3.29Å; D153-E155 VanDerWaalsContact C-N 3.28Å; D153-E155 PolarHBondContact O-N 2.84Å; D153-E155 PolarHBondContact OD1-N 3.31Å; E155-V158 PolarHBondContact O-N 2.93Å; E155-E159 PolarHBondContact O-N 3.32Å
156	A	96.2	Very high	95.4	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-37	175.5	0	0	0	0	0	112.2	L143 L147 D153 H154 E159 L160	L143-A156 HydrophobicContact CD2-CB 4.07Å; L147-A156 HydrophobicContact CD2-CB 3.68Å; L147-A156 HydrophobicContact CG-CB 4.05Å; D153-A156 HydrophobicContact CB-CB 3.99Å; D153-A156 WeakPolarHBondContact O-CB 3.47Å; D153-A156 PolarHBondContact O-N 3.12Å; D153-A156 VanDerWaalsContact O-N 3.15Å; D153-A156 PolarHBondContact OD1-N 2.97Å; H154-A156 VanDerWaalsContact C-N 3.32Å; A156-E159 PolarHBondContact O-N 3.28Å; A156-L160 WeakPolarHBondContact O-CB 3.3Å; A156-L160 PolarHBondContact O-N 3.25Å
157	W	97.6	Very high	95.6	Very high	27 Å²	27	59.2 Å²	59.2	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-42.1	171.9	-77.7	110.6	0	0	0	112.9	L147 M151 D153 H154 L160 C161 F175 C176 E179 M180	L147-W157 HydrophobicContact CD1-CD2 3.79Å; L147-W157 HydrophobicContact CD1-CE3 3.84Å; L147-W157 HydrophobicContact CD1-CG 4.26Å; L147-W157 HydrophobicContact CD1-CH2 4.35Å; L147-W157 HydrophobicContact CD1-CZ2 4.31Å; L147-W157 HydrophobicContact CD1-CZ3 4.13Å; L147-W157 HydrophobicContact CD2-CD2 4.05Å; L147-W157 HydrophobicContact CD2-CG 3.99Å; L147-W157 HydrophobicContact CD2-CZ2 4.39Å; M151-W157 PolarHBondContact O-NE1 3.46Å; D153-W157 PolarHBondContact O-N 3.23Å; H154-W157 PolarHBondContact O-N 3.23Å; W157-L160 HydrophobicContact CZ3-CD2 4.44Å; W157-L160 PolarHBondContact O-N 2.89Å; W157-C161 WeakPolarHBondContact O-CB 3.44Å; W157-C161 PolarHBondContact O-N 3.48Å; W157-F175 AromaticContact CH2-CE1 3.91Å; W157-F175 HydrophobicContact CH2-CE1 3.91Å; W157-F175 HydrophobicContact CZ3-CD1 4.27Å; W157-F175 HydrophobicContact CZ3-CE1 4.02Å; W157-C176 HydrophobicContact CE3-CB 4.03Å; W157-C176 HydrophobicContact CZ3-CB 4.45Å; W157-E179 HydrophobicContact CD2-CB 4.11Å; W157-E179 HydrophobicContact CE3-CB 4.19Å; W157-E179 HydrophobicContact CE3-CG 4.39Å; W157-E179 HydrophobicContact CH2-CB 4.39Å; W157-E179 HydrophobicContact CH2-CG 3.82Å; W157-E179 HydrophobicContact CZ2-CB 4.29Å; W157-E179 HydrophobicContact CZ2-CG 4Å; W157-E179 HydrophobicContact CZ3-CB 4.33Å; W157-E179 HydrophobicContact CZ3-CG 4.02Å; W157-M180 HydrophobicContact CB-CG 3.87Å; W157-M180 HydrophobicContact CB-SD 4.31Å
158	V	96.7	Very high	95.7	Very high	40 Å²	40	66.1 Å²	66.1	24%	0.242	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-48.1	175.9	173.6	0	0	0	0	110.4	H154 E155 C161 Q162 M180	H154-V158 WeakPolarHBondContact O-CG2 3.43Å; H154-V158 PolarHBondContact O-N 3Å; H154-V158 VanDerWaalsContact O-N 3.12Å; E155-V158 PolarHBondContact O-N 2.93Å; V158-C161 WeakPolarHBondContact O-CB 3.33Å; V158-C161 PolarHBondContact O-N 3.38Å; V158-Q162 WeakPolarHBondContact O-CG 3.36Å; V158-Q162 PolarHBondContact O-N 2.93Å; V158-M180 HydrophobicContact CB-CE 4.31Å; V158-M180 HydrophobicContact CG2-CE 3.42Å; V158-M180 VanDerWaalsContact CG2-CE 3.42Å; V158-M180 HydrophobicContact CG2-SD 4.04Å
159	E	97	Very high	95.9	Very high	60 Å²	60	63.2 Å²	63.2	28%	0.28	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-46.1	179.3	-172.1	64.4	-158.4	0	0	111.2	V127 L143 E155 A156 C161 Q162 L163	V127-E159 HydrophobicContact CG1-CG 4.38Å; L143-E159 HydrophobicContact CD1-CB 4.1Å; L143-E159 HydrophobicContact CD1-CG 3.75Å; E155-E159 PolarHBondContact O-N 3.32Å; A156-E159 PolarHBondContact O-N 3.28Å; E159-C161 VanDerWaalsContact C-N 3.31Å; E159-C161 PolarHBondContact O-N 2.94Å; E159-Q162 WeakPolarHBondContact O-CB 3.23Å; E159-Q162 PolarHBondContact O-N 3.41Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.72Å
160	L	98.1	Very high	96.2	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-41.9	178.7	-177.8	59.6	0	0	0	111.6	I140 L143 L147 A156 W157 Q162 L163 Y164	I140-L160 HydrophobicContact CB-CD1 4.49Å; I140-L160 HydrophobicContact CG1-CD1 4.42Å; I140-L160 HydrophobicContact CG2-CD1 4.12Å; L143-L160 HydrophobicContact CB-CB 4.41Å; L143-L160 HydrophobicContact CB-CD1 4.04Å; L143-L160 HydrophobicContact CD1-CB 4.1Å; L143-L160 HydrophobicContact CD1-CD1 4.37Å; L147-L160 HydrophobicContact CD1-CB 4.24Å; L147-L160 HydrophobicContact CD1-CD2 3.56Å; A156-L160 WeakPolarHBondContact O-CB 3.3Å; A156-L160 PolarHBondContact O-N 3.25Å; W157-L160 HydrophobicContact CZ3-CD2 4.44Å; W157-L160 PolarHBondContact O-N 2.89Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 3.14Å; L160-L163 PolarHBondContact O-N 3.23Å; L160-Y164 HydrophobicContact CD1-CD2 4.04Å; L160-Y164 HydrophobicContact CD1-CE1 4.48Å; L160-Y164 HydrophobicContact CD1-CE2 3.53Å; L160-Y164 HydrophobicContact CD2-CE2 3.84Å; L160-Y164 HydrophobicContact CG-CD2 3.87Å; L160-Y164 HydrophobicContact CG-CE2 3.47Å; L160-Y164 VanDerWaalsContact CG-CE2 3.47Å; L160-Y164 WeakPolarHBondContact O-CD2 3.42Å; L160-Y164 PolarHBondContact O-N 3.34Å
161	C	98.2	Very high	96.5	Very high	3 Å²	3	61 Å²	61	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-47.8	172.6	-179	0	0	0	0	111.3	W157 V158 E159 L163 Y164 L165 C176 M180	W157-C161 WeakPolarHBondContact O-CB 3.44Å; W157-C161 PolarHBondContact O-N 3.48Å; V158-C161 WeakPolarHBondContact O-CB 3.33Å; V158-C161 PolarHBondContact O-N 3.38Å; E159-C161 VanDerWaalsContact C-N 3.31Å; E159-C161 PolarHBondContact O-N 2.94Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.16Å; C161-Y164 PolarHBondContact O-N 2.9Å; C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.38Å; C161-L165 PolarHBondContact O-N 3.3Å; C161-C176 HydrophobicContact CB-CB 3.72Å; C161-M180 HydrophobicContact CB-SD 4.36Å
162	Q	97.4	Very high	96.7	Very high	106 Å²	106	60.5 Å²	60.5	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-39.5	179.3	-70	179.2	15.5	0	0	112.2	V158 E159 L160 L165 R166	V158-Q162 WeakPolarHBondContact O-CG 3.36Å; V158-Q162 PolarHBondContact O-N 2.93Å; E159-Q162 WeakPolarHBondContact O-CB 3.23Å; E159-Q162 PolarHBondContact O-N 3.41Å; L160-Q162 VanDerWaalsContact C-N 3.34Å; L160-Q162 PolarHBondContact O-N 3.14Å; Q162-L165 PolarHBondContact O-N 2.66Å; Q162-R166 PolarHBondContact O-N 3.44Å
163	L	98	Very high	97	Very high	4 Å²	4	53 Å²	53	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-42	176.1	-63	-171.6	0	0	0	112.2	V131 V136 A139 I140 L143 E159 L160 C161 L165 R166 V167	V131-L163 HydrophobicContact CG1-CD2 4.46Å; V131-L163 HydrophobicContact CG2-CD1 4.19Å; V131-L163 HydrophobicContact CG2-CD2 3.72Å; V136-L163 HydrophobicContact CG1-CB 4.43Å; V136-L163 HydrophobicContact CG1-CD2 4.35Å; A139-L163 HydrophobicContact CB-CD1 3.74Å; I140-L163 HydrophobicContact CD1-CB 4.14Å; I140-L163 HydrophobicContact CG1-CB 3.67Å; I140-L163 HydrophobicContact CG1-CD1 3.92Å; I140-L163 HydrophobicContact CG1-CG 4.47Å; L143-L163 HydrophobicContact CD1-CD1 3.61Å; L143-L163 HydrophobicContact CD1-CG 4.44Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.72Å; L160-L163 PolarHBondContact O-N 3.23Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.16Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 2.97Å; L163-R166 WeakPolarHBondContact O-CB 3.46Å; L163-R166 PolarHBondContact O-N 3.37Å; L163-V167 PolarHBondContact O-N 3.19Å
164	Y	98.5	Very high	97.3	Very high	16 Å²	16	52 Å²	52	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-40.1	174.8	-76	-44.7	0	0	0	112.5	I140 C144 L160 C161 R166 V167 F168 D169 R172	I140-Y164 HydrophobicContact CD1-CD1 4.08Å; I140-Y164 HydrophobicContact CD1-CE1 4.16Å; I140-Y164 HydrophobicContact CG1-CE1 4.45Å; I140-Y164 HydrophobicContact CG2-CD1 4.48Å; I140-Y164 HydrophobicContact CG2-CE1 3.57Å; C144-Y164 PolarHBondContact SG-OH 3Å; C144-Y164 VanDerWaalsContact SG-OH 3.39Å; L160-Y164 HydrophobicContact CD1-CD2 4.04Å; L160-Y164 HydrophobicContact CD1-CE1 4.48Å; L160-Y164 HydrophobicContact CD1-CE2 3.53Å; L160-Y164 HydrophobicContact CD2-CE2 3.84Å; L160-Y164 HydrophobicContact CG-CD2 3.87Å; L160-Y164 HydrophobicContact CG-CE2 3.47Å; L160-Y164 VanDerWaalsContact CG-CE2 3.47Å; L160-Y164 WeakPolarHBondContact O-CD2 3.42Å; L160-Y164 PolarHBondContact O-N 3.34Å; C161-Y164 PolarHBondContact O-N 2.9Å; Y164-R166 VanDerWaalsContact C-N 3.31Å; Y164-R166 PolarHBondContact O-N 2.9Å; Y164-V167 HydrophobicContact CD1-CG2 4.49Å; Y164-V167 CarbonylContact O-C 3.58Å; Y164-V167 WeakPolarHBondContact O-CG2 3.34Å; Y164-V167 PolarHBondContact O-N 3.05Å; Y164-F168 PolarHBondContact O-N 3Å; Y164-F168 VanDerWaalsContact O-N 3.15Å; Y164-D169 HydrophobicContact CD1-CB 4.06Å; Y164-D169 PolarHBondContact O-N 2.88Å; Y164-R172 HydrophobicContact CD1-CB 3.87Å; Y164-R172 HydrophobicContact CD2-CB 3.62Å; Y164-R172 HydrophobicContact CE1-CB 3.88Å; Y164-R172 HydrophobicContact CE1-CG 4.44Å; Y164-R172 HydrophobicContact CE2-CB 3.58Å; Y164-R172 HydrophobicContact CG-CB 3.77Å
165	L	97.8	Very high	97.5	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-39.9	173.1	-67.1	173.7	0	0	0	112.1	C161 Q162 L163 V167 F168 F170 A173 L193 V197	C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.38Å; C161-L165 PolarHBondContact O-N 3.3Å; Q162-L165 PolarHBondContact O-N 2.66Å; L163-L165 VanDerWaalsContact C-N 3.34Å; L163-L165 PolarHBondContact O-N 2.97Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 PolarHBondContact O-N 3.3Å; L165-F168 PolarHBondContact O-N 3.31Å; L165-F168 VanDerWaalsContact O-N 3.12Å; L165-F170 HydrophobicContact CD2-CD1 4.22Å; L165-A173 HydrophobicContact CD2-CB 3.66Å; L165-A173 HydrophobicContact CG-CB 3.92Å; L165-L193 HydrophobicContact CD1-CD1 4.31Å; L165-V197 HydrophobicContact CD2-CG2 3.61Å
166	R	96.4	Very high	97.7	Very high	141 Å²	141	49.2 Å²	49.2	53%	0.532	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-30.4	178.5	-175.5	173.9	178	176.4	-1.8	113.2	Q162 L163 Y164	Q162-R166 PolarHBondContact O-N 3.44Å; L163-R166 WeakPolarHBondContact O-CB 3.46Å; L163-R166 PolarHBondContact O-N 3.37Å; Y164-R166 VanDerWaalsContact C-N 3.31Å; Y164-R166 PolarHBondContact O-N 2.9Å
167	V	97.4	Very high	97.8	Very high	43 Å²	43	49.1 Å²	49.1	26%	0.261	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	11.6	176	-57.5	0	0	0	0	113.2	V136 I140 L163 Y164 L165 D169	V136-V167 HydrophobicContact CB-CG1 4.41Å; V136-V167 HydrophobicContact CG1-CG1 3.57Å; I140-V167 HydrophobicContact CD1-CG1 4.35Å; I140-V167 HydrophobicContact CD1-CG2 4.01Å; L163-V167 PolarHBondContact O-N 3.19Å; Y164-V167 HydrophobicContact CD1-CG2 4.49Å; Y164-V167 CarbonylContact O-C 3.58Å; Y164-V167 WeakPolarHBondContact O-CG2 3.34Å; Y164-V167 PolarHBondContact O-N 3.05Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 PolarHBondContact O-N 3.3Å; V167-D169 HydrophobicContact CG2-CB 4.07Å; V167-D169 PolarHBondContact O-N 2.99Å
168	F	97.3	Very high	97.8	Very high	154 Å²	154	50.9 Å²	50.9	68%	0.675	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.4	-179.1	-49.6	-73.9	0	0	0	114.5	Y164 L165 F170	Y164-F168 PolarHBondContact O-N 3Å; Y164-F168 VanDerWaalsContact O-N 3.15Å; L165-F168 PolarHBondContact O-N 3.31Å; L165-F168 VanDerWaalsContact O-N 3.12Å; F168-F170 VanDerWaalsContact C-N 3.3Å; F168-F170 HydrophobicContact CB-CE2 4.03Å; F168-F170 HydrophobicContact CB-CZ 3.98Å; F168-F170 AromaticContact CD1-CZ 3.86Å; F168-F170 HydrophobicContact CD1-CZ 3.86Å; F168-F170 HydrophobicContact CG-CZ 4.43Å; F168-F170 WeakPolarHBondContact O-CD2 3.41Å; F168-F170 PolarHBondContact O-N 3.45Å; F168-F170 VanDerWaalsContact O-N 3.1Å
169	D	98	Very high	97.8	Very high	34 Å²	34	51.7 Å²	51.7	18%	0.182	24%	0.239	C	C	.	.			trans	-87	75.2	172.6	-159.9	-57.3	0	0	0	110.8	Y164 V167 P171 R172 A173	Y164-D169 HydrophobicContact CD1-CB 4.06Å; Y164-D169 PolarHBondContact O-N 2.88Å; V167-D169 HydrophobicContact CG2-CB 4.07Å; V167-D169 PolarHBondContact O-N 2.99Å; D169-P171 WeakPolarHBondContact OD1-CD 3.36Å; D169-R172 PolarHBondContact O-N 3.29Å; D169-R172 VanDerWaalsContact OD1-CB 3.29Å; D169-R172 WeakPolarHBondContact OD1-CB 3.48Å; D169-R172 WeakPolarHBondContact OD1-CG 3.19Å; D169-R172 PolarHBondContact OD1-N 2.76Å; D169-R172 IonicContact OD1-NE 2.7Å; D169-R172 PolarHBondContact OD1-NE 3.43Å; D169-R172 IonicContact OD2-CZ 3.89Å; D169-R172 IonicContact OD2-NE 2.78Å; D169-R172 PolarHBondContact OD2-NE 3.18Å; D169-R172 IonicContact OD2-NH2 2.76Å; D169-R172 PolarHBondContact OD2-NH2 2.98Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.14Å
170	F	98.2	Very high	97.8	Very high	49 Å²	49	49 Å²	49	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-38.1	-178.6	-52.4	-64.3	0	0	0	114	L165 F168 R172 A173 A174 V197 T200 Q201	L165-F170 HydrophobicContact CD2-CD1 4.22Å; F168-F170 VanDerWaalsContact C-N 3.3Å; F168-F170 HydrophobicContact CB-CE2 4.03Å; F168-F170 HydrophobicContact CB-CZ 3.98Å; F168-F170 AromaticContact CD1-CZ 3.86Å; F168-F170 HydrophobicContact CD1-CZ 3.86Å; F168-F170 HydrophobicContact CG-CZ 4.43Å; F168-F170 WeakPolarHBondContact O-CD2 3.41Å; F168-F170 PolarHBondContact O-N 3.45Å; F168-F170 VanDerWaalsContact O-N 3.1Å; F170-R172 PolarHBondContact O-N 2.78Å; F170-A173 PolarHBondContact O-N 3.29Å; F170-A174 WeakPolarHBondContact O-CB 3.43Å; F170-A174 PolarHBondContact O-N 3.09Å; F170-V197 HydrophobicContact CB-CG1 3.97Å; F170-V197 HydrophobicContact CD1-CG1 4.46Å; F170-V197 WeakPolarHBondContact O-CG1 3.45Å; F170-T200 HydrophobicContact CD1-CG2 4.04Å; F170-T200 HydrophobicContact CD2-CG2 4.27Å; F170-T200 HydrophobicContact CE1-CG2 3.52Å; F170-T200 HydrophobicContact CE2-CG2 3.79Å; F170-T200 HydrophobicContact CG-CG2 4.38Å; F170-T200 HydrophobicContact CZ-CG2 3.37Å; F170-Q201 VanDerWaalsContact C-NE2 3.34Å; F170-Q201 HydrophobicContact CB-CG 3.44Å; F170-Q201 VanDerWaalsContact CB-CG 3.44Å; F170-Q201 HydrophobicContact CG-CG 4.28Å
171	P	98.1	Very high	97.8	Very high	83 Å²	83	49.5 Å²	49.5	54%	0.539	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-46.5	175.9	-25.4	35.3	0	0	0	113.2	D169 A174 F175 Q201	D169-P171 WeakPolarHBondContact OD1-CD 3.36Å; P171-A174 PolarHBondContact O-N 2.96Å; P171-F175 PolarHBondContact O-N 2.95Å; P171-F175 VanDerWaalsContact O-N 3.15Å; P171-Q201 VanDerWaalsContact CA-NE2 3.31Å; P171-Q201 VanDerWaalsContact N-NE2 3.15Å
172	R	98.3	Very high	97.7	Very high	113 Å²	113	55.6 Å²	55.6	43%	0.426	26%	0.261	S	S	.	.	H	α-helix	trans	-74.1	-32.5	179.2	-67.1	-175.3	-83.1	178.5	-3	112.6	Y164 D169 F170 F175 C176	Y164-R172 HydrophobicContact CD1-CB 3.87Å; Y164-R172 HydrophobicContact CD2-CB 3.62Å; Y164-R172 HydrophobicContact CE1-CB 3.88Å; Y164-R172 HydrophobicContact CE1-CG 4.44Å; Y164-R172 HydrophobicContact CE2-CB 3.58Å; Y164-R172 HydrophobicContact CG-CB 3.77Å; D169-R172 PolarHBondContact O-N 3.29Å; D169-R172 VanDerWaalsContact OD1-CB 3.29Å; D169-R172 WeakPolarHBondContact OD1-CB 3.48Å; D169-R172 WeakPolarHBondContact OD1-CG 3.19Å; D169-R172 PolarHBondContact OD1-N 2.76Å; D169-R172 IonicContact OD1-NE 2.7Å; D169-R172 PolarHBondContact OD1-NE 3.43Å; D169-R172 IonicContact OD2-CZ 3.89Å; D169-R172 IonicContact OD2-NE 2.78Å; D169-R172 PolarHBondContact OD2-NE 3.18Å; D169-R172 IonicContact OD2-NH2 2.76Å; D169-R172 PolarHBondContact OD2-NH2 2.98Å; F170-R172 PolarHBondContact O-N 2.78Å; R172-F175 PolarHBondContact O-N 3.46Å; R172-C176 PolarHBondContact O-N 3.32Å; R172-C176 VanDerWaalsContact O-N 3.12Å; R172-C176 PolarHBondContact O-SG 2.7Å
173	A	98.5	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-42.6	170.3	0	0	0	0	0	112	L165 D169 F170 F175 C176 L177	L165-A173 HydrophobicContact CD2-CB 3.66Å; L165-A173 HydrophobicContact CG-CB 3.92Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.14Å; F170-A173 PolarHBondContact O-N 3.29Å; A173-F175 VanDerWaalsContact C-N 3.34Å; A173-F175 PolarHBondContact O-N 2.96Å; A173-C176 PolarHBondContact O-N 3.36Å; A173-L177 WeakPolarHBondContact O-CG 3.48Å; A173-L177 PolarHBondContact O-N 2.86Å; A173-L177 VanDerWaalsContact O-N 3.09Å
174	A	98.5	Very high	97.4	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-42.2	176.4	0	0	0	0	0	111.7	F170 P171 C176 L177 E178 Y194 V197	F170-A174 WeakPolarHBondContact O-CB 3.43Å; F170-A174 PolarHBondContact O-N 3.09Å; P171-A174 PolarHBondContact O-N 2.96Å; A174-C176 PolarHBondContact O-N 3.19Å; A174-L177 WeakPolarHBondContact O-CB 3.21Å; A174-L177 PolarHBondContact O-N 3.37Å; A174-E178 WeakPolarHBondContact O-CG 3.39Å; A174-E178 PolarHBondContact O-N 3.06Å; A174-Y194 HydrophobicContact CB-CD2 4.37Å; A174-Y194 HydrophobicContact CB-CE2 3.92Å; A174-Y194 WeakPolarHBondContact O-CE2 3.5Å; A174-V197 HydrophobicContact CB-CG1 3.99Å
175	F	98	Very high	97.4	Very high	105 Å²	105	60.8 Å²	60.8	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-45.6	174.5	178.9	-97.3	0	0	0	112.3	W157 P171 R172 A173 L177 E178 E179	W157-F175 AromaticContact CH2-CE1 3.91Å; W157-F175 HydrophobicContact CH2-CE1 3.91Å; W157-F175 HydrophobicContact CZ3-CD1 4.27Å; W157-F175 HydrophobicContact CZ3-CE1 4.02Å; P171-F175 PolarHBondContact O-N 2.95Å; P171-F175 VanDerWaalsContact O-N 3.15Å; R172-F175 PolarHBondContact O-N 3.46Å; A173-F175 VanDerWaalsContact C-N 3.34Å; A173-F175 PolarHBondContact O-N 2.96Å; F175-L177 PolarHBondContact O-N 3.47Å; F175-E178 WeakPolarHBondContact O-CB 3.35Å; F175-E178 PolarHBondContact O-N 3.46Å; F175-E178 VanDerWaalsContact O-N 3.14Å; F175-E179 HydrophobicContact CE1-CG 4.15Å; F175-E179 HydrophobicContact CZ-CG 4.23Å; F175-E179 PolarHBondContact O-N 3.05Å
176	C	98.2	Very high	97.3	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-38.8	176.4	-61.9	0	0	0	0	111.9	W157 C161 R172 A173 A174 E179 M180	W157-C176 HydrophobicContact CE3-CB 4.03Å; W157-C176 HydrophobicContact CZ3-CB 4.45Å; C161-C176 HydrophobicContact CB-CB 3.72Å; R172-C176 PolarHBondContact O-N 3.32Å; R172-C176 VanDerWaalsContact O-N 3.12Å; R172-C176 PolarHBondContact O-SG 2.7Å; A173-C176 PolarHBondContact O-N 3.36Å; A174-C176 PolarHBondContact O-N 3.19Å; C176-E179 PolarHBondContact O-N 3.4Å; C176-M180 WeakPolarHBondContact O-CG 3.38Å; C176-M180 PolarHBondContact O-N 3.36Å
177	L	98.2	Very high	97.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.5	-33.9	178	-72.3	162.8	0	0	0	112.7	A173 A174 F175 M180 I181 L193 Y194 V197	A173-L177 WeakPolarHBondContact O-CG 3.48Å; A173-L177 PolarHBondContact O-N 2.86Å; A173-L177 VanDerWaalsContact O-N 3.09Å; A174-L177 WeakPolarHBondContact O-CB 3.21Å; A174-L177 PolarHBondContact O-N 3.37Å; F175-L177 PolarHBondContact O-N 3.47Å; L177-M180 HydrophobicContact CD2-CE 4.29Å; L177-M180 HydrophobicContact CD2-SD 4.24Å; L177-M180 PolarHBondContact O-N 2.92Å; L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.37Å; L177-L193 HydrophobicContact CD1-CG 3.96Å; L177-L193 HydrophobicContact CD2-CB 4.11Å; L177-L193 HydrophobicContact CD2-CD2 3.8Å; L177-L193 HydrophobicContact CD2-CG 3.91Å; L177-Y194 HydrophobicContact CB-CD2 3.71Å; L177-Y194 HydrophobicContact CB-CG 4.41Å; L177-Y194 HydrophobicContact CD1-CD2 4.37Å; L177-V197 HydrophobicContact CD1-CB 4.36Å; L177-V197 HydrophobicContact CD1-CG2 3.72Å
178	E	97.7	Very high	97.4	Very high	65 Å²	65	62 Å²	62	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-48.6	172.6	-72.4	160.8	-168.8	0	0	110.4	A174 F175 M180 I181 L182 Y194	A174-E178 WeakPolarHBondContact O-CG 3.39Å; A174-E178 PolarHBondContact O-N 3.06Å; F175-E178 WeakPolarHBondContact O-CB 3.35Å; F175-E178 PolarHBondContact O-N 3.46Å; F175-E178 VanDerWaalsContact O-N 3.14Å; E178-M180 VanDerWaalsContact C-N 3.31Å; E178-M180 PolarHBondContact O-N 2.92Å; E178-I181 PolarHBondContact O-N 3.15Å; E178-I181 VanDerWaalsContact O-N 3.16Å; E178-L182 WeakPolarHBondContact O-CG 3.43Å; E178-L182 PolarHBondContact O-N 3.03Å; E178-Y194 HydrophobicContact CG-CD2 4.39Å; E178-Y194 HydrophobicContact CG-CE2 3.54Å; E178-Y194 VanDerWaalsContact OE1-CE2 3.32Å; E178-Y194 WeakPolarHBondContact OE1-CE2 3.43Å; E178-Y194 VanDerWaalsContact OE1-CZ 3.31Å; E178-Y194 PolarHBondContact OE1-OH 2.89Å
179	E	96.8	Very high	97.4	Very high	56 Å²	56	56.3 Å²	56.3	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-40	174.7	-65.7	-59.2	139.8	0	0	112.5	W157 F175 C176 L182 S183	W157-E179 HydrophobicContact CD2-CB 4.11Å; W157-E179 HydrophobicContact CE3-CB 4.19Å; W157-E179 HydrophobicContact CE3-CG 4.39Å; W157-E179 HydrophobicContact CH2-CB 4.39Å; W157-E179 HydrophobicContact CH2-CG 3.82Å; W157-E179 HydrophobicContact CZ2-CB 4.29Å; W157-E179 HydrophobicContact CZ2-CG 4Å; W157-E179 HydrophobicContact CZ3-CB 4.33Å; W157-E179 HydrophobicContact CZ3-CG 4.02Å; F175-E179 HydrophobicContact CE1-CG 4.15Å; F175-E179 HydrophobicContact CZ-CG 4.23Å; F175-E179 PolarHBondContact O-N 3.05Å; C176-E179 PolarHBondContact O-N 3.4Å; E179-L182 PolarHBondContact O-N 3.38Å; E179-S183 PolarHBondContact O-N 3.32Å; E179-S183 PolarHBondContact O-OG 3.41Å
180	M	96.8	Very high	97.4	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-36.3	176.3	-69.3	169.2	56.1	0	0	112.8	W157 V158 C161 C176 L177 E178 S183 K184 F190	W157-M180 HydrophobicContact CB-CG 3.87Å; W157-M180 HydrophobicContact CB-SD 4.31Å; V158-M180 HydrophobicContact CB-CE 4.31Å; V158-M180 HydrophobicContact CG2-CE 3.42Å; V158-M180 VanDerWaalsContact CG2-CE 3.42Å; V158-M180 HydrophobicContact CG2-SD 4.04Å; C161-M180 HydrophobicContact CB-SD 4.36Å; C176-M180 WeakPolarHBondContact O-CG 3.38Å; C176-M180 PolarHBondContact O-N 3.36Å; L177-M180 HydrophobicContact CD2-CE 4.29Å; L177-M180 HydrophobicContact CD2-SD 4.24Å; L177-M180 PolarHBondContact O-N 2.92Å; E178-M180 VanDerWaalsContact C-N 3.31Å; E178-M180 PolarHBondContact O-N 2.92Å; M180-S183 WeakPolarHBondContact CA-OG 3.45Å; M180-S183 PolarHBondContact O-OG 2.93Å; M180-K184 PolarHBondContact O-N 3.36Å; M180-F190 HydrophobicContact CB-CD2 3.97Å; M180-F190 HydrophobicContact CB-CE2 4.2Å; M180-F190 HydrophobicContact CB-CG 4.24Å; M180-F190 HydrophobicContact CE-CD1 3.37Å; M180-F190 HydrophobicContact CE-CD2 4.34Å; M180-F190 HydrophobicContact CE-CE1 3.14Å; M180-F190 HydrophobicContact CE-CE2 4.16Å; M180-F190 HydrophobicContact CE-CG 4Å; M180-F190 HydrophobicContact CE-CZ 3.59Å; M180-F190 WeakPolarHBondContact O-CD2 3.23Å
181	I	97.5	Very high	97.4	Very high	16 Å²	16	54 Å²	54	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-71.3	-40.9	176.2	-71	166.9	0	0	0	110.5	L177 E178 S183 K184 P185 F190 Y194 Y213	L177-I181 WeakPolarHBondContact O-CB 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.37Å; E178-I181 PolarHBondContact O-N 3.15Å; E178-I181 VanDerWaalsContact O-N 3.16Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 2.97Å; I181-K184 CarbonylContact O-C 3.48Å; I181-K184 PolarHBondContact O-N 3.35Å; I181-P185 WeakPolarHBondContact O-CA 3.44Å; I181-P185 WeakPolarHBondContact O-CD 3.46Å; I181-P185 VanDerWaalsContact O-N 3.08Å; I181-F190 HydrophobicContact CD1-CB 4.44Å; I181-F190 HydrophobicContact CG1-CB 3.66Å; I181-Y194 HydrophobicContact CD1-CG 4.14Å; I181-Y213 HydrophobicContact CD1-CD1 4.19Å; I181-Y213 HydrophobicContact CD1-CE1 3.77Å
182	L	96.2	Very high	97.4	Very high	130 Å²	130	51.1 Å²	51.1	68%	0.681	26%	0.259	S	S	*	.	H	α-helix	trans	-60.4	-43.1	175.2	-71.5	175	0	0	0	111.5	E178 E179	E178-L182 WeakPolarHBondContact O-CG 3.43Å; E178-L182 PolarHBondContact O-N 3.03Å; E179-L182 PolarHBondContact O-N 3.38Å
183	S	94.4	Very high	97.4	Very high	69 Å²	69	48 Å²	48	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-73	-35.5	179.2	57	0	0	0	0	113.8	E179 M180 I181	E179-S183 PolarHBondContact O-N 3.32Å; E179-S183 PolarHBondContact O-OG 3.41Å; M180-S183 WeakPolarHBondContact CA-OG 3.45Å; M180-S183 PolarHBondContact O-OG 2.93Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 2.97Å
184	K	95.4	Very high	97.4	Very high	96 Å²	96	48.6 Å²	48.6	42%	0.417	25%	0.253	S	S	.	.			trans	-138.4	74.6	-178.6	-61.5	-175.4	-176.3	171.1	0	112.3	H154 M180 I181 L186 T187 F190	H154-K184 PolarHBondContact CD2-NZ 3.33Å; H154-K184 PolarHBondContact NE2-NZ 3Å; M180-K184 PolarHBondContact O-N 3.36Å; I181-K184 CarbonylContact O-C 3.48Å; I181-K184 PolarHBondContact O-N 3.35Å; K184-L186 PolarHBondContact O-N 2.91Å; K184-L186 VanDerWaalsContact O-N 3.11Å; K184-T187 WeakPolarHBondContact CB-OG1 3.39Å; K184-T187 WeakPolarHBondContact O-CB 3.34Å; K184-T187 PolarHBondContact O-N 2.87Å; K184-T187 VanDerWaalsContact O-N 3.11Å; K184-T187 PolarHBondContact O-OG1 2.95Å; K184-F190 HydrophobicContact CB-CD2 4.46Å; K184-F190 HydrophobicContact CB-CE2 4.03Å; K184-F190 HydrophobicContact CD-CE2 4.33Å
185	P	96.8	Very high	97.4	Very high	71 Å²	71	48.5 Å²	48.5	46%	0.461	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.7	-170	25.7	-35.8	0	0	0	114.7	I181 H191	I181-P185 WeakPolarHBondContact O-CA 3.44Å; I181-P185 WeakPolarHBondContact O-CD 3.46Å; I181-P185 VanDerWaalsContact O-N 3.08Å; P185-H191 PolarHBondContact O-NE2 3.08Å
186	L	97.3	Very high	97.4	Very high	140 Å²	140	45 Å²	45	73%	0.733	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-1.1	178.5	-59.6	-179.6	0	0	0	113.4	K184 Y188 L220	K184-L186 PolarHBondContact O-N 2.91Å; K184-L186 VanDerWaalsContact O-N 3.11Å; L186-Y188 PolarHBondContact O-N 3.41Å; L186-Y188 VanDerWaalsContact O-N 3.14Å; L186-L220 HydrophobicContact CD2-CD2 4.05Å
187	T	96.9	Very high	97.4	Very high	44 Å²	44	45.1 Å²	45.1	27%	0.27	24%	0.238	S	C	.	.			trans	-79.8	97.4	178.2	-53.8	0	0	0	0	110.3	K184 A189 F190 H191	K184-T187 WeakPolarHBondContact CB-OG1 3.39Å; K184-T187 WeakPolarHBondContact O-CB 3.34Å; K184-T187 PolarHBondContact O-N 2.87Å; K184-T187 VanDerWaalsContact O-N 3.11Å; K184-T187 PolarHBondContact O-OG1 2.95Å; T187-A189 HydrophobicContact CG2-CB 4.14Å; T187-A189 PolarHBondContact O-N 3.01Å; T187-F190 HydrophobicContact CG2-CD1 4.01Å; T187-F190 HydrophobicContact CG2-CD2 3.7Å; T187-F190 HydrophobicContact CG2-CE1 3.96Å; T187-F190 HydrophobicContact CG2-CE2 3.64Å; T187-F190 HydrophobicContact CG2-CG 3.87Å; T187-F190 HydrophobicContact CG2-CZ 3.77Å; T187-F190 PolarHBondContact O-N 3.5Å; T187-F190 VanDerWaalsContact O-N 3.07Å; T187-H191 PolarHBondContact O-CD2 3.35Å
188	Y	97.8	Very high	97.4	Very high	71 Å²	71	46.2 Å²	46.2	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-53.3	-32.5	-179.4	82.7	-89.2	0	0	0	113.2	L186 F190 H191 M192 K221	L186-Y188 PolarHBondContact O-N 3.41Å; L186-Y188 VanDerWaalsContact O-N 3.14Å; Y188-F190 VanDerWaalsContact C-N 3.28Å; Y188-F190 PolarHBondContact O-N 3Å; Y188-H191 PolarHBondContact O-N 2.97Å; Y188-M192 WeakPolarHBondContact O-CB 3.48Å; Y188-M192 PolarHBondContact O-N 3.34Å; Y188-K221 HydrophobicContact CD1-CB 4.02Å; Y188-K221 HydrophobicContact CD1-CD 3.82Å; Y188-K221 HydrophobicContact CD2-CB 3.98Å; Y188-K221 HydrophobicContact CD2-CD 3.93Å; Y188-K221 HydrophobicContact CE1-CD 3.43Å; Y188-K221 VanDerWaalsContact CE1-CD 3.43Å; Y188-K221 HydrophobicContact CE2-CB 4.5Å; Y188-K221 HydrophobicContact CE2-CD 3.6Å; Y188-K221 HydrophobicContact CG-CB 3.73Å; Y188-K221 HydrophobicContact CG-CD 4.05Å; Y188-K221 PolarHBondContact OH-NZ 2.97Å
189	A	97.5	Very high	97.4	Very high	33 Å²	33	43.9 Å²	43.9	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-31.9	-177.8	0	0	0	0	0	112.7	T187 L193	T187-A189 HydrophobicContact CG2-CB 4.14Å; T187-A189 PolarHBondContact O-N 3.01Å; A189-L193 VanDerWaalsContact O-CB 3.31Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 2.75Å
190	F	97.8	Very high	97.4	Very high	26 Å²	26	45.3 Å²	45.3	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-74.7	-41.6	178.3	-57.4	-23.4	0	0	0	111.6	H154 M180 I181 K184 T187 Y188 M192 L193 Y194	H154-F190 AromaticContact CE1-CE2 3.36Å; H154-F190 WeakPolarHBondContact CE1-CE2 3.45Å; H154-F190 AromaticContact CE1-CZ 3.39Å; H154-F190 WeakPolarHBondContact CE1-CZ 3.43Å; H154-F190 AromaticContact NE2-CE2 3.67Å; H154-F190 AromaticContact NE2-CZ 3.28Å; H154-F190 VanDerWaalsContact NE2-CZ 3.28Å; H154-F190 WeakPolarHBondContact NE2-CZ 3.14Å; M180-F190 HydrophobicContact CB-CD2 3.97Å; M180-F190 HydrophobicContact CB-CE2 4.2Å; M180-F190 HydrophobicContact CB-CG 4.24Å; M180-F190 HydrophobicContact CE-CD1 3.37Å; M180-F190 HydrophobicContact CE-CD2 4.34Å; M180-F190 HydrophobicContact CE-CE1 3.14Å; M180-F190 HydrophobicContact CE-CE2 4.16Å; M180-F190 HydrophobicContact CE-CG 4Å; M180-F190 HydrophobicContact CE-CZ 3.59Å; M180-F190 WeakPolarHBondContact O-CD2 3.23Å; I181-F190 HydrophobicContact CD1-CB 4.44Å; I181-F190 HydrophobicContact CG1-CB 3.66Å; K184-F190 HydrophobicContact CB-CD2 4.46Å; K184-F190 HydrophobicContact CB-CE2 4.03Å; K184-F190 HydrophobicContact CD-CE2 4.33Å; T187-F190 HydrophobicContact CG2-CD1 4.01Å; T187-F190 HydrophobicContact CG2-CD2 3.7Å; T187-F190 HydrophobicContact CG2-CE1 3.96Å; T187-F190 HydrophobicContact CG2-CE2 3.64Å; T187-F190 HydrophobicContact CG2-CG 3.87Å; T187-F190 HydrophobicContact CG2-CZ 3.77Å; T187-F190 PolarHBondContact O-N 3.5Å; T187-F190 VanDerWaalsContact O-N 3.07Å; Y188-F190 VanDerWaalsContact C-N 3.28Å; Y188-F190 PolarHBondContact O-N 3Å; F190-M192 VanDerWaalsContact C-N 3.33Å; F190-M192 PolarHBondContact O-N 3.01Å; F190-L193 PolarHBondContact O-N 3.45Å; F190-Y194 VanDerWaalsContact O-CB 3.29Å; F190-Y194 WeakPolarHBondContact O-CB 3.31Å; F190-Y194 PolarHBondContact O-N 3.34Å
191	H	98.5	Very high	97.4	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-44.7	172.3	-64.2	-75.8	0	0	0	111.6	P185 T187 Y188 Y194 A195 Y213 Q216 A217 L220	P185-H191 PolarHBondContact O-NE2 3.08Å; T187-H191 PolarHBondContact O-CD2 3.35Å; Y188-H191 PolarHBondContact O-N 2.97Å; H191-Y194 PolarHBondContact O-N 2.96Å; H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 2.9Å; H191-Y213 HydrophobicContact CB-CD1 4.2Å; H191-Y213 AromaticContact ND1-CD1 3.38Å; H191-Y213 WeakPolarHBondContact ND1-CD1 3.41Å; H191-Y213 AromaticContact ND1-CE1 3.6Å; H191-Q216 HydrophobicContact CB-CG 4.45Å; H191-A217 HydrophobicContact CB-CB 3.97Å; H191-L220 VanDerWaalsContact CD2-CD1 3.49Å; H191-L220 WeakPolarHBondContact CD2-CD1 3.48Å
192	M	98.2	Very high	97.3	Very high	22 Å²	22	47.6 Å²	47.6	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-48.8	176.8	-178.2	-173.3	73.2	0	0	111.6	Y188 F190 A195 E196 Y214 A217 R226 A227	Y188-M192 WeakPolarHBondContact O-CB 3.48Å; Y188-M192 PolarHBondContact O-N 3.34Å; F190-M192 VanDerWaalsContact C-N 3.33Å; F190-M192 PolarHBondContact O-N 3.01Å; M192-A195 WeakPolarHBondContact O-CB 3.39Å; M192-A195 PolarHBondContact O-N 2.72Å; M192-E196 WeakPolarHBondContact O-CG 3.5Å; M192-E196 PolarHBondContact O-N 3.48Å; M192-Y214 HydrophobicContact CG-CE1 4.47Å; M192-A217 HydrophobicContact CB-CB 3.94Å; M192-R226 HydrophobicContact CE-CG 4.24Å; M192-R226 HydrophobicContact SD-CB 3.73Å; M192-R226 HydrophobicContact SD-CG 3.68Å; M192-A227 HydrophobicContact CG-CB 4.04Å; M192-A227 HydrophobicContact SD-CB 4.22Å
193	L	98	Very high	97.2	Very high	48 Å²	48	43.5 Å²	43.5	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-67.7	-38.5	-179.1	-175.5	55.6	0	0	0	111.9	L165 L177 A189 F190 A195 E196 V197	L165-L193 HydrophobicContact CD1-CD1 4.31Å; L177-L193 HydrophobicContact CD1-CG 3.96Å; L177-L193 HydrophobicContact CD2-CB 4.11Å; L177-L193 HydrophobicContact CD2-CD2 3.8Å; L177-L193 HydrophobicContact CD2-CG 3.91Å; A189-L193 VanDerWaalsContact O-CB 3.31Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 2.75Å; F190-L193 PolarHBondContact O-N 3.45Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 2.88Å; L193-E196 WeakPolarHBondContact O-CB 3.29Å; L193-E196 PolarHBondContact O-N 2.9Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.14Å
194	Y	98.6	Very high	97.3	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-43.2	174	-174.8	-105.6	0	0	0	111.8	A174 L177 E178 I181 F190 H191 E196 V197 K198 I209 Y213	A174-Y194 HydrophobicContact CB-CD2 4.37Å; A174-Y194 HydrophobicContact CB-CE2 3.92Å; A174-Y194 WeakPolarHBondContact O-CE2 3.5Å; L177-Y194 HydrophobicContact CB-CD2 3.71Å; L177-Y194 HydrophobicContact CB-CG 4.41Å; L177-Y194 HydrophobicContact CD1-CD2 4.37Å; E178-Y194 HydrophobicContact CG-CD2 4.39Å; E178-Y194 HydrophobicContact CG-CE2 3.54Å; E178-Y194 VanDerWaalsContact OE1-CE2 3.32Å; E178-Y194 WeakPolarHBondContact OE1-CE2 3.43Å; E178-Y194 VanDerWaalsContact OE1-CZ 3.31Å; E178-Y194 PolarHBondContact OE1-OH 2.89Å; I181-Y194 HydrophobicContact CD1-CG 4.14Å; F190-Y194 VanDerWaalsContact O-CB 3.29Å; F190-Y194 WeakPolarHBondContact O-CB 3.31Å; F190-Y194 PolarHBondContact O-N 3.34Å; H191-Y194 PolarHBondContact O-N 2.96Å; Y194-E196 VanDerWaalsContact C-N 3.34Å; Y194-E196 PolarHBondContact O-N 3.42Å; Y194-V197 PolarHBondContact O-N 2.95Å; Y194-K198 HydrophobicContact CD1-CG 4.2Å; Y194-K198 HydrophobicContact CE1-CD 4.46Å; Y194-K198 HydrophobicContact CE1-CG 3.94Å; Y194-K198 WeakPolarHBondContact O-CG 3.42Å; Y194-K198 PolarHBondContact O-N 3.35Å; Y194-K198 WeakPolarHBondContact OH-CE 3.26Å; Y194-K198 PolarHBondContact OH-NZ 3.29Å; Y194-I209 HydrophobicContact CE1-CG2 3.72Å; Y194-Y213 AromaticContact CD1-CD1 3.7Å; Y194-Y213 HydrophobicContact CD1-CD1 3.7Å; Y194-Y213 AromaticContact CD1-CD2 3.52Å; Y194-Y213 HydrophobicContact CD1-CD2 3.52Å; Y194-Y213 AromaticContact CD1-CE1 3.82Å; Y194-Y213 HydrophobicContact CD1-CE1 3.82Å; Y194-Y213 AromaticContact CD1-CE2 3.65Å; Y194-Y213 HydrophobicContact CD1-CE2 3.65Å; Y194-Y213 AromaticContact CD1-CG 3.53Å; Y194-Y213 HydrophobicContact CD1-CG 3.53Å; Y194-Y213 AromaticContact CD1-CZ 3.77Å; Y194-Y213 HydrophobicContact CE1-CD1 4.36Å; Y194-Y213 AromaticContact CE1-CD2 3.58Å; Y194-Y213 HydrophobicContact CE1-CD2 3.58Å; Y194-Y213 HydrophobicContact CE1-CE1 4.15Å; Y194-Y213 AromaticContact CE1-CE2 3.31Å; Y194-Y213 HydrophobicContact CE1-CE2 3.31Å; Y194-Y213 HydrophobicContact CE1-CG 4.09Å; Y194-Y213 AromaticContact CE1-CZ 3.6Å
195	A	98.6	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-41.2	173.9	0	0	0	0	0	112.5	H191 M192 L193 K198 C199 A210 Y214	H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 2.9Å; M192-A195 WeakPolarHBondContact O-CB 3.39Å; M192-A195 PolarHBondContact O-N 2.72Å; L193-A195 VanDerWaalsContact C-N 3.33Å; L193-A195 PolarHBondContact O-N 2.88Å; A195-K198 PolarHBondContact O-N 3.36Å; A195-C199 WeakPolarHBondContact O-CB 3.5Å; A195-C199 PolarHBondContact O-N 3.01Å; A195-A210 HydrophobicContact CB-CB 4.35Å; A195-A210 WeakPolarHBondContact CB-O 3.34Å; A195-A210 WeakPolarHBondContact O-CB 3.48Å; A195-Y214 HydrophobicContact CB-CD1 3.55Å; A195-Y214 HydrophobicContact CB-CD2 3.64Å; A195-Y214 HydrophobicContact CB-CE1 3.55Å; A195-Y214 HydrophobicContact CB-CE2 3.65Å; A195-Y214 HydrophobicContact CB-CG 3.57Å
196	E	98.1	Very high	97.4	Very high	32 Å²	32	44 Å²	44	15%	0.15	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-48.3	174	-72.5	173.6	-161.4	0	0	111.6	M192 L193 Y194 K198 C199 T200 Y214 R226	M192-E196 WeakPolarHBondContact O-CG 3.5Å; M192-E196 PolarHBondContact O-N 3.48Å; L193-E196 WeakPolarHBondContact O-CB 3.29Å; L193-E196 PolarHBondContact O-N 2.9Å; Y194-E196 VanDerWaalsContact C-N 3.34Å; Y194-E196 PolarHBondContact O-N 3.42Å; E196-K198 PolarHBondContact O-N 3.43Å; E196-C199 WeakPolarHBondContact O-CB 3.46Å; E196-C199 PolarHBondContact O-N 3.49Å; E196-T200 PolarHBondContact O-N 3.08Å; E196-T200 PolarHBondContact O-OG1 2.78Å; E196-T200 VanDerWaalsContact O-OG1 3.06Å; E196-Y214 VanDerWaalsContact CA-OH 3.31Å; E196-Y214 WeakPolarHBondContact CA-OH 3.41Å; E196-Y214 HydrophobicContact CG-CE1 4.11Å; E196-Y214 VanDerWaalsContact CG-OH 3.23Å; E196-Y214 WeakPolarHBondContact CG-OH 3.32Å; E196-Y214 PolarHBondContact N-OH 3.12Å; E196-R226 WeakPolarHBondContact OE1-CG 3.31Å; E196-R226 IonicContact OE1-CZ 2.6Å; E196-R226 IonicContact OE1-NE 3.33Å; E196-R226 PolarHBondContact OE1-NE 2.92Å; E196-R226 IonicContact OE1-NH2 2.73Å; E196-R226 IonicContact OE2-CZ 3.12Å; E196-R226 IonicContact OE2-NE 3.3Å; E196-R226 PolarHBondContact OE2-NE 3.28Å; E196-R226 IonicContact OE2-NH2 3.69Å; E196-R226 PolarHBondContact OE2-NH2 2.93Å
197	V	98.4	Very high	97.4	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-44.8	178.5	176.3	0	0	0	0	111.5	L165 F170 A174 L177 L193 Y194 T200 Q201	L165-V197 HydrophobicContact CD2-CG2 3.61Å; F170-V197 HydrophobicContact CB-CG1 3.97Å; F170-V197 HydrophobicContact CD1-CG1 4.46Å; F170-V197 WeakPolarHBondContact O-CG1 3.45Å; A174-V197 HydrophobicContact CB-CG1 3.99Å; L177-V197 HydrophobicContact CD1-CB 4.36Å; L177-V197 HydrophobicContact CD1-CG2 3.72Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.14Å; Y194-V197 PolarHBondContact O-N 2.95Å; V197-T200 PolarHBondContact O-N 3.29Å; V197-Q201 WeakPolarHBondContact O-CG 3.2Å; V197-Q201 PolarHBondContact O-N 2.99Å
198	K	98.4	Very high	97.4	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-42.5	177	-68.7	-67.3	178.6	-172	0	112	Y194 A195 E196 T200 Q201 G202 N206 I209 A210	Y194-K198 HydrophobicContact CD1-CG 4.2Å; Y194-K198 HydrophobicContact CE1-CD 4.46Å; Y194-K198 HydrophobicContact CE1-CG 3.94Å; Y194-K198 WeakPolarHBondContact O-CG 3.42Å; Y194-K198 PolarHBondContact O-N 3.35Å; Y194-K198 WeakPolarHBondContact OH-CE 3.26Å; Y194-K198 PolarHBondContact OH-NZ 3.29Å; A195-K198 PolarHBondContact O-N 3.36Å; E196-K198 PolarHBondContact O-N 3.43Å; K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 2.94Å; K198-Q201 PolarHBondContact O-N 3.15Å; K198-G202 PolarHBondContact O-N 3.03Å; K198-N206 HydrophobicContact CB-CB 4.3Å; K198-N206 HydrophobicContact CD-CB 4.39Å; K198-N206 VanDerWaalsContact O-CB 3.29Å; K198-N206 WeakPolarHBondContact O-CB 3.49Å; K198-I209 HydrophobicContact CD-CG2 4.18Å; K198-I209 HydrophobicContact CG-CB 4.48Å; K198-I209 HydrophobicContact CG-CG2 3.91Å; K198-A210 HydrophobicContact CB-CB 3.91Å
199	C	97.3	Very high	97.4	Very high	17 Å²	17	37.1 Å²	37.1	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-43.3	172	-90.6	0	0	0	0	112.1	A195 E196 G202 A210	A195-C199 WeakPolarHBondContact O-CB 3.5Å; A195-C199 PolarHBondContact O-N 3.01Å; E196-C199 WeakPolarHBondContact O-CB 3.46Å; E196-C199 PolarHBondContact O-N 3.49Å; C199-G202 PolarHBondContact O-N 3.07Å; C199-A210 HydrophobicContact CB-CB 4.37Å; C199-A210 WeakPolarHBondContact SG-CB 3.48Å
200	T	97	Very high	97.4	Very high	86 Å²	86	35.6 Å²	35.6	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-66.6	-38.9	178.8	-57.9	0	0	0	0	112.9	F170 E196 V197 K198 G202	F170-T200 HydrophobicContact CD1-CG2 4.04Å; F170-T200 HydrophobicContact CD2-CG2 4.27Å; F170-T200 HydrophobicContact CE1-CG2 3.52Å; F170-T200 HydrophobicContact CE2-CG2 3.79Å; F170-T200 HydrophobicContact CG-CG2 4.38Å; F170-T200 HydrophobicContact CZ-CG2 3.37Å; E196-T200 PolarHBondContact O-N 3.08Å; E196-T200 PolarHBondContact O-OG1 2.78Å; E196-T200 VanDerWaalsContact O-OG1 3.06Å; V197-T200 PolarHBondContact O-N 3.29Å; K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 2.94Å; T200-G202 PolarHBondContact O-N 3.47Å
201	Q	96.9	Very high	97.4	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-59.4	-30.6	173.1	-72.5	-179.3	-46.2	0	0	112.3	F170 P171 V197 K198	F170-Q201 VanDerWaalsContact C-NE2 3.34Å; F170-Q201 HydrophobicContact CB-CG 3.44Å; F170-Q201 VanDerWaalsContact CB-CG 3.44Å; F170-Q201 HydrophobicContact CG-CG 4.28Å; P171-Q201 VanDerWaalsContact CA-NE2 3.31Å; P171-Q201 VanDerWaalsContact N-NE2 3.15Å; V197-Q201 WeakPolarHBondContact O-CG 3.2Å; V197-Q201 PolarHBondContact O-N 2.99Å; K198-Q201 PolarHBondContact O-N 3.15Å
202	G	94.3	Very high	97.4	Very high	14 Å²	14	39.9 Å²	39.9	14%	0.144	22%	0.216	C	C	.	.			trans	67.1	-174.3	178.8	0	0	0	0	0	113.1	K198 C199 T200 N206	K198-G202 PolarHBondContact O-N 3.03Å; C199-G202 PolarHBondContact O-N 3.07Å; T200-G202 PolarHBondContact O-N 3.47Å; G202-N206 WeakPolarHBondContact O-CB 3.26Å; G202-N206 PolarHBondContact O-ND2 3.48Å
203	G	95.7	Very high	97.4	Very high	44 Å²	44	42 Å²	42	45%	0.454	22%	0.224	S	C	.	.	S	Bend	trans	81.5	151	-168.5	0	0	0	0	0	112.2	E205 N206 L207	G203-E205 PolarHBondContact O-N 3.39Å; G203-N206 PolarHBondContact O-N 3.41Å; G203-L207 WeakPolarHBondContact O-CG 3.39Å; G203-L207 PolarHBondContact O-N 2.94Å
204	M	95.5	Very high	97.4	Very high	48 Å²	48	40.1 Å²	40.1	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-36.6	-172.4	-79.8	-53.3	-46.1	0	0	113.4	N206 L207 E208 A238 K241 V242 F250	M204-N206 PolarHBondContact O-N 3.45Å; M204-L207 PolarHBondContact O-N 3.33Å; M204-L207 HydrophobicContact SD-CD1 3.97Å; M204-E208 WeakPolarHBondContact O-CG 3.32Å; M204-E208 PolarHBondContact O-N 3.44Å; M204-A238 HydrophobicContact CE-CB 4.22Å; M204-K241 HydrophobicContact CG-CB 4.1Å; M204-K241 HydrophobicContact CG-CD 4.46Å; M204-K241 HydrophobicContact SD-CB 3.43Å; M204-K241 WeakPolarHBondContact SD-CB 3.48Å; M204-K241 HydrophobicContact SD-CD 3.79Å; M204-K241 HydrophobicContact SD-CG 4.26Å; M204-V242 HydrophobicContact CE-CG1 3.17Å; M204-V242 HydrophobicContact SD-CG1 3.91Å; M204-F250 HydrophobicContact CE-CE2 4.35Å
205	E	96.1	Very high	97.4	Very high	159 Å²	159	41.8 Å²	41.8	74%	0.743	23%	0.226	S	C	*	.	H	α-helix	trans	-59.6	-47.3	176.9	-64.5	173.9	-177.8	0	0	111	G203 L207 E208 I209	G203-E205 PolarHBondContact O-N 3.39Å; E205-L207 PolarHBondContact O-N 2.98Å; E205-E208 PolarHBondContact O-N 3.49Å; E205-I209 WeakPolarHBondContact O-CG1 3.43Å; E205-I209 PolarHBondContact O-N 3.12Å; E205-I209 VanDerWaalsContact O-N 3.12Å
206	N	97.7	Very high	97.3	Very high	39 Å²	39	45 Å²	45	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-33.5	177.9	-65.5	-46.6	0	0	0	112.7	K198 G202 G203 M204 I209 A210	K198-N206 HydrophobicContact CB-CB 4.3Å; K198-N206 HydrophobicContact CD-CB 4.39Å; K198-N206 VanDerWaalsContact O-CB 3.29Å; K198-N206 WeakPolarHBondContact O-CB 3.49Å; G202-N206 WeakPolarHBondContact O-CB 3.26Å; G202-N206 PolarHBondContact O-ND2 3.48Å; G203-N206 PolarHBondContact O-N 3.41Å; M204-N206 PolarHBondContact O-N 3.45Å; N206-I209 PolarHBondContact O-N 3.27Å; N206-A210 VanDerWaalsContact O-CB 3.32Å; N206-A210 WeakPolarHBondContact O-CB 2.98Å; N206-A210 PolarHBondContact O-N 3.47Å
207	L	97.4	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-36.9	174.5	-69.7	172.8	0	0	0	112.2	G203 M204 E205 A210 K211 C234 Q237 A238 K241	G203-L207 WeakPolarHBondContact O-CG 3.39Å; G203-L207 PolarHBondContact O-N 2.94Å; M204-L207 PolarHBondContact O-N 3.33Å; M204-L207 HydrophobicContact SD-CD1 3.97Å; E205-L207 PolarHBondContact O-N 2.98Å; L207-A210 PolarHBondContact O-N 3.41Å; L207-K211 WeakPolarHBondContact O-CB 3.34Å; L207-K211 PolarHBondContact O-N 2.99Å; L207-C234 PolarHBondContact O-SG 3.5Å; L207-C234 VanDerWaalsContact O-SG 3.32Å; L207-Q237 HydrophobicContact CD1-CG 4.11Å; L207-Q237 HydrophobicContact CD2-CB 4.47Å; L207-Q237 HydrophobicContact CD2-CG 4.37Å; L207-A238 HydrophobicContact CD1-CB 4.19Å; L207-K241 HydrophobicContact CD1-CD 4.47Å
208	E	96.8	Very high	97.3	Very high	56 Å²	56	43.7 Å²	43.7	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-65.3	-40.7	174.1	-74.6	-176.9	-169	0	0	111.6	M204 E205 L212 K246 F250	M204-E208 WeakPolarHBondContact O-CG 3.32Å; M204-E208 PolarHBondContact O-N 3.44Å; E205-E208 PolarHBondContact O-N 3.49Å; E208-L212 WeakPolarHBondContact O-CG 3.32Å; E208-L212 PolarHBondContact O-N 2.55Å; E208-K246 WeakPolarHBondContact OE1-CD 3.46Å; E208-K246 WeakPolarHBondContact OE1-CE 3.29Å; E208-K246 IonicContact OE1-NZ 2.72Å; E208-K246 PolarHBondContact OE1-NZ 2.94Å; E208-K246 IonicContact OE2-NZ 3.74Å; E208-K246 PolarHBondContact OE2-NZ 3.5Å; E208-F250 HydrophobicContact CG-CZ 4.29Å
209	I	97.9	Very high	97.3	Very high	55 Å²	55	50.8 Å²	50.8	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-49.3	173.4	-64	168.1	0	0	0	110.5	Y194 K198 E205 N206 K211 L212 Y213	Y194-I209 HydrophobicContact CE1-CG2 3.72Å; K198-I209 HydrophobicContact CD-CG2 4.18Å; K198-I209 HydrophobicContact CG-CB 4.48Å; K198-I209 HydrophobicContact CG-CG2 3.91Å; E205-I209 WeakPolarHBondContact O-CG1 3.43Å; E205-I209 PolarHBondContact O-N 3.12Å; E205-I209 VanDerWaalsContact O-N 3.12Å; N206-I209 PolarHBondContact O-N 3.27Å; I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.38Å; I209-L212 WeakPolarHBondContact O-CB 3.35Å; I209-L212 PolarHBondContact O-N 3.15Å; I209-Y213 HydrophobicContact CG2-CD2 3.69Å; I209-Y213 HydrophobicContact CG2-CE2 3.81Å; I209-Y213 WeakPolarHBondContact O-CD2 3.44Å; I209-Y213 PolarHBondContact O-N 3.2Å; I209-Y213 VanDerWaalsContact O-N 3.08Å
210	A	98.3	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-44.8	-178.8	0	0	0	0	0	111.9	A195 K198 C199 N206 L207 L212 Y213 Y214	A195-A210 HydrophobicContact CB-CB 4.35Å; A195-A210 WeakPolarHBondContact CB-O 3.34Å; A195-A210 WeakPolarHBondContact O-CB 3.48Å; K198-A210 HydrophobicContact CB-CB 3.91Å; C199-A210 HydrophobicContact CB-CB 4.37Å; C199-A210 WeakPolarHBondContact SG-CB 3.48Å; N206-A210 VanDerWaalsContact O-CB 3.32Å; N206-A210 WeakPolarHBondContact O-CB 2.98Å; N206-A210 PolarHBondContact O-N 3.47Å; L207-A210 PolarHBondContact O-N 3.41Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 3.23Å; A210-Y213 PolarHBondContact O-N 3.11Å; A210-Y214 HydrophobicContact CB-CD2 4.47Å; A210-Y214 HydrophobicContact CB-CE2 4.29Å; A210-Y214 WeakPolarHBondContact O-CD2 3.38Å; A210-Y214 PolarHBondContact O-N 3.49Å
211	K	97.9	Very high	97.3	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-50.7	-52	172.8	177.8	-161.5	67.3	178.4	0	111.5	L207 I209 Y213 Y214 C215 L231 E249 F250 L253	L207-K211 WeakPolarHBondContact O-CB 3.34Å; L207-K211 PolarHBondContact O-N 2.99Å; I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.38Å; K211-Y213 PolarHBondContact O-N 3.44Å; K211-Y214 PolarHBondContact O-N 2.93Å; K211-C215 PolarHBondContact O-N 3.02Å; K211-C215 PolarHBondContact O-SG 2.85Å; K211-L231 HydrophobicContact CG-CD1 4.09Å; K211-E249 IonicContact NZ-OE1 2.7Å; K211-E249 PolarHBondContact NZ-OE1 3.42Å; K211-E249 IonicContact NZ-OE2 2.65Å; K211-F250 HydrophobicContact CB-CE1 4.15Å; K211-F250 HydrophobicContact CD-CD1 4.25Å; K211-F250 HydrophobicContact CD-CE1 3.73Å; K211-F250 HydrophobicContact CD-CZ 4.09Å; K211-F250 HydrophobicContact CG-CE1 4.17Å; K211-L253 HydrophobicContact CD-CD2 3.9Å; K211-L253 HydrophobicContact CG-CD2 3.75Å
212	L	97.9	Very high	97.2	Very high	109 Å²	109	54.1 Å²	54.1	57%	0.571	28%	0.281	S	S	*	.	H	α-helix	trans	-60.5	-44.4	-178.1	-67.1	171.9	0	0	0	111.8	E208 I209 A210 C215 Q216	E208-L212 WeakPolarHBondContact O-CG 3.32Å; E208-L212 PolarHBondContact O-N 2.55Å; I209-L212 WeakPolarHBondContact O-CB 3.35Å; I209-L212 PolarHBondContact O-N 3.15Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 3.23Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.19Å; L212-Q216 PolarHBondContact O-N 3.08Å
213	Y	98.5	Very high	97.1	Very high	67 Å²	67	59 Å²	59	26%	0.263	30%	0.304	S	S	.	.	H	α-helix	trans	-73.7	-32.1	-178.5	-83	-87.1	0	0	0	113.4	I181 H191 Y194 I209 A210 K211 Q216 A217	I181-Y213 HydrophobicContact CD1-CD1 4.19Å; I181-Y213 HydrophobicContact CD1-CE1 3.77Å; H191-Y213 HydrophobicContact CB-CD1 4.2Å; H191-Y213 AromaticContact ND1-CD1 3.38Å; H191-Y213 WeakPolarHBondContact ND1-CD1 3.41Å; H191-Y213 AromaticContact ND1-CE1 3.6Å; Y194-Y213 AromaticContact CD1-CD1 3.7Å; Y194-Y213 HydrophobicContact CD1-CD1 3.7Å; Y194-Y213 AromaticContact CD1-CD2 3.52Å; Y194-Y213 HydrophobicContact CD1-CD2 3.52Å; Y194-Y213 AromaticContact CD1-CE1 3.82Å; Y194-Y213 HydrophobicContact CD1-CE1 3.82Å; Y194-Y213 AromaticContact CD1-CE2 3.65Å; Y194-Y213 HydrophobicContact CD1-CE2 3.65Å; Y194-Y213 AromaticContact CD1-CG 3.53Å; Y194-Y213 HydrophobicContact CD1-CG 3.53Å; Y194-Y213 AromaticContact CD1-CZ 3.77Å; Y194-Y213 HydrophobicContact CE1-CD1 4.36Å; Y194-Y213 AromaticContact CE1-CD2 3.58Å; Y194-Y213 HydrophobicContact CE1-CD2 3.58Å; Y194-Y213 HydrophobicContact CE1-CE1 4.15Å; Y194-Y213 AromaticContact CE1-CE2 3.31Å; Y194-Y213 HydrophobicContact CE1-CE2 3.31Å; Y194-Y213 HydrophobicContact CE1-CG 4.09Å; Y194-Y213 AromaticContact CE1-CZ 3.6Å; I209-Y213 HydrophobicContact CG2-CD2 3.69Å; I209-Y213 HydrophobicContact CG2-CE2 3.81Å; I209-Y213 WeakPolarHBondContact O-CD2 3.44Å; I209-Y213 PolarHBondContact O-N 3.2Å; I209-Y213 VanDerWaalsContact O-N 3.08Å; A210-Y213 PolarHBondContact O-N 3.11Å; K211-Y213 PolarHBondContact O-N 3.44Å; Y213-Q216 PolarHBondContact O-N 3.44Å; Y213-A217 WeakPolarHBondContact O-CB 3.31Å; Y213-A217 PolarHBondContact O-N 3.33Å
214	Y	98.5	Very high	97	Very high	8 Å²	8	57.3 Å²	57.3	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-43.7	168	-76.2	-53.7	0	0	0	111.9	M192 A195 E196 A210 K211 Q216 A217 L218 A227 G230 L231 C234	M192-Y214 HydrophobicContact CG-CE1 4.47Å; A195-Y214 HydrophobicContact CB-CD1 3.55Å; A195-Y214 HydrophobicContact CB-CD2 3.64Å; A195-Y214 HydrophobicContact CB-CE1 3.55Å; A195-Y214 HydrophobicContact CB-CE2 3.65Å; A195-Y214 HydrophobicContact CB-CG 3.57Å; E196-Y214 VanDerWaalsContact CA-OH 3.31Å; E196-Y214 WeakPolarHBondContact CA-OH 3.41Å; E196-Y214 HydrophobicContact CG-CE1 4.11Å; E196-Y214 VanDerWaalsContact CG-OH 3.23Å; E196-Y214 WeakPolarHBondContact CG-OH 3.32Å; E196-Y214 PolarHBondContact N-OH 3.12Å; A210-Y214 HydrophobicContact CB-CD2 4.47Å; A210-Y214 HydrophobicContact CB-CE2 4.29Å; A210-Y214 WeakPolarHBondContact O-CD2 3.38Å; A210-Y214 PolarHBondContact O-N 3.49Å; K211-Y214 PolarHBondContact O-N 2.93Å; Y214-Q216 VanDerWaalsContact C-N 3.29Å; Y214-Q216 PolarHBondContact O-N 3.25Å; Y214-A217 WeakPolarHBondContact O-CB 3.46Å; Y214-A217 PolarHBondContact O-N 2.8Å; Y214-L218 WeakPolarHBondContact O-CG 3.41Å; Y214-L218 PolarHBondContact O-N 3.32Å; Y214-A227 HydrophobicContact CD1-CB 4.4Å; Y214-G230 WeakPolarHBondContact CE2-O 3.39Å; Y214-G230 VanDerWaalsContact CZ-CA 3.43Å; Y214-L231 HydrophobicContact CD2-CB 4.38Å; Y214-L231 HydrophobicContact CG-CB 4.23Å; Y214-C234 HydrophobicContact CD2-CB 4.26Å; Y214-C234 HydrophobicContact CE2-CB 4.15Å
215	C	97.7	Very high	97	Very high	48 Å²	48	56.5 Å²	56.5	32%	0.324	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-41.1	174.5	-70.5	0	0	0	0	111.5	K211 L212 L218 K219	K211-C215 PolarHBondContact O-N 3.02Å; K211-C215 PolarHBondContact O-SG 2.85Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.19Å; C215-L218 PolarHBondContact O-N 2.99Å; C215-K219 WeakPolarHBondContact O-CB 3.49Å; C215-K219 PolarHBondContact O-N 2.96Å
216	Q	98.1	Very high	97	Very high	67 Å²	67	56.1 Å²	56.1	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-42.3	175.3	-178.3	60.3	12.8	0	0	112.1	H191 L212 Y213 Y214 L218 K219 L220	H191-Q216 HydrophobicContact CB-CG 4.45Å; L212-Q216 PolarHBondContact O-N 3.08Å; Y213-Q216 PolarHBondContact O-N 3.44Å; Y214-Q216 VanDerWaalsContact C-N 3.29Å; Y214-Q216 PolarHBondContact O-N 3.25Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.06Å; Q216-K219 PolarHBondContact O-N 3.29Å; Q216-L220 HydrophobicContact CG-CD1 4.46Å; Q216-L220 WeakPolarHBondContact O-CG 3.41Å; Q216-L220 PolarHBondContact O-N 3.47Å; Q216-L220 VanDerWaalsContact O-N 3.09Å
217	A	98.4	Very high	97.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-42.8	174.7	0	0	0	0	0	111.9	H191 M192 Y213 Y214 L220 K221 A227	H191-A217 HydrophobicContact CB-CB 3.97Å; M192-A217 HydrophobicContact CB-CB 3.94Å; Y213-A217 WeakPolarHBondContact O-CB 3.31Å; Y213-A217 PolarHBondContact O-N 3.33Å; Y214-A217 WeakPolarHBondContact O-CB 3.46Å; Y214-A217 PolarHBondContact O-N 2.8Å; A217-L220 PolarHBondContact O-N 2.87Å; A217-K221 PolarHBondContact O-N 3.45Å; A217-A227 HydrophobicContact CB-CB 4.1Å
218	L	97.8	Very high	97	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-32.3	177.2	-69.8	171.9	0	0	0	112.7	Y214 C215 Q216 L220 K221 P222 C224 A227 S228 L231 W256	Y214-L218 WeakPolarHBondContact O-CG 3.41Å; Y214-L218 PolarHBondContact O-N 3.32Å; C215-L218 PolarHBondContact O-N 2.99Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.06Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 2.99Å; L218-K221 CarbonylContact O-C 3.15Å; L218-K221 PolarHBondContact O-N 3.37Å; L218-P222 WeakPolarHBondContact O-CA 3.36Å; L218-P222 WeakPolarHBondContact O-CD 3.36Å; L218-C224 HydrophobicContact CD2-CB 4.33Å; L218-A227 HydrophobicContact CD2-CB 3.73Å; L218-A227 HydrophobicContact CG-CB 3.92Å; L218-S228 VanDerWaalsContact CD2-OG 3.26Å; L218-S228 WeakPolarHBondContact CD2-OG 3.44Å; L218-L231 HydrophobicContact CD1-CD2 3.85Å; L218-W256 HydrophobicContact CD1-CH2 4.09Å; L218-W256 HydrophobicContact CD1-CZ3 3.9Å
219	K	97.4	Very high	97	Very high	170 Å²	170	53.9 Å²	53.9	74%	0.739	26%	0.264	S	S	*	.	H	α-helix	trans	-62.8	-39.7	171.5	-174.2	179.1	179.4	-179.3	0	111.6	C215 Q216	C215-K219 WeakPolarHBondContact O-CB 3.49Å; C215-K219 PolarHBondContact O-N 2.96Å; Q216-K219 PolarHBondContact O-N 3.29Å
220	L	97.9	Very high	97	Very high	60 Å²	60	51.8 Å²	51.8	31%	0.314	26%	0.256	S	S	.	.	H	α-helix	trans	-77.6	-34.2	177.8	-66.7	170.5	0	0	0	112.6	L186 H191 Q216 A217 L218	L186-L220 HydrophobicContact CD2-CD2 4.05Å; H191-L220 VanDerWaalsContact CD2-CD1 3.49Å; H191-L220 WeakPolarHBondContact CD2-CD1 3.48Å; Q216-L220 HydrophobicContact CG-CD1 4.46Å; Q216-L220 WeakPolarHBondContact O-CG 3.41Å; Q216-L220 PolarHBondContact O-N 3.47Å; Q216-L220 VanDerWaalsContact O-N 3.09Å; A217-L220 PolarHBondContact O-N 2.87Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 2.99Å
221	K	96.7	Very high	96.9	Very high	85 Å²	85	51.8 Å²	51.8	37%	0.37	26%	0.256	S	S	.	.			trans	-140	91.1	176.4	-172.6	174.6	179.1	167.5	0	111	Y188 A217 L218 N223 C224	Y188-K221 HydrophobicContact CD1-CB 4.02Å; Y188-K221 HydrophobicContact CD1-CD 3.82Å; Y188-K221 HydrophobicContact CD2-CB 3.98Å; Y188-K221 HydrophobicContact CD2-CD 3.93Å; Y188-K221 HydrophobicContact CE1-CD 3.43Å; Y188-K221 VanDerWaalsContact CE1-CD 3.43Å; Y188-K221 HydrophobicContact CE2-CB 4.5Å; Y188-K221 HydrophobicContact CE2-CD 3.6Å; Y188-K221 HydrophobicContact CG-CB 3.73Å; Y188-K221 HydrophobicContact CG-CD 4.05Å; Y188-K221 PolarHBondContact OH-NZ 2.97Å; A217-K221 PolarHBondContact O-N 3.45Å; L218-K221 CarbonylContact O-C 3.15Å; L218-K221 PolarHBondContact O-N 3.37Å; K221-N223 VanDerWaalsContact C-N 3.34Å; K221-N223 PolarHBondContact O-N 3.48Å; K221-C224 HydrophobicContact CB-CB 4.24Å; K221-C224 HydrophobicContact CD-CB 4.1Å; K221-C224 HydrophobicContact CG-CB 3.99Å; K221-C224 VanDerWaalsContact O-CB 3.3Å; K221-C224 WeakPolarHBondContact O-CB 3.18Å; K221-C224 PolarHBondContact O-N 3.31Å
222	P	94.5	Very high	96.8	Very high	83 Å²	83	51.3 Å²	51.3	54%	0.539	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.3	-174.9	-29.2	36.4	0	0	0	114.7	L218 C224	L218-P222 WeakPolarHBondContact O-CA 3.36Å; L218-P222 WeakPolarHBondContact O-CD 3.36Å; P222-C224 PolarHBondContact O-N 3.45Å
223	N	92	Very high	96.7	Very high	116 Å²	116	51.3 Å²	51.3	62%	0.62	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	27.3	-176.6	-64.9	-12.9	0	0	0	113.1	K221 A225 L264	K221-N223 VanDerWaalsContact C-N 3.34Å; K221-N223 PolarHBondContact O-N 3.48Å; N223-A225 PolarHBondContact O-N 3.3Å; N223-L264 HydrophobicContact CB-CD1 3.72Å
224	C	95.3	Very high	96.6	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.061	24%	0.24	C	C	.	.			trans	-84.4	92.7	179.2	-172.1	0	0	0	0	111	L218 K221 P222 R226 A227 S228	L218-C224 HydrophobicContact CD2-CB 4.33Å; K221-C224 HydrophobicContact CB-CB 4.24Å; K221-C224 HydrophobicContact CD-CB 4.1Å; K221-C224 HydrophobicContact CG-CB 3.99Å; K221-C224 VanDerWaalsContact O-CB 3.3Å; K221-C224 WeakPolarHBondContact O-CB 3.18Å; K221-C224 PolarHBondContact O-N 3.31Å; P222-C224 PolarHBondContact O-N 3.45Å; C224-R226 PolarHBondContact O-N 3.18Å; C224-R226 VanDerWaalsContact O-N 3.12Å; C224-A227 HydrophobicContact CB-CB 3.99Å; C224-A227 PolarHBondContact O-N 3.37Å; C224-A227 VanDerWaalsContact O-N 3.08Å; C224-S228 PolarHBondContact O-N 3.38Å; C224-S228 PolarHBondContact O-OG 3.38Å
225	A	94.7	Very high	96.4	Very high	31 Å²	31	47.8 Å²	47.8	26%	0.256	24%	0.239	S	C	.	.	H	α-helix	trans	-49.7	-41.9	179	0	0	0	0	0	113.1	N223 S228 W229 L264	N223-A225 PolarHBondContact O-N 3.3Å; A225-S228 PolarHBondContact O-N 2.99Å; A225-W229 WeakPolarHBondContact O-CB 3.42Å; A225-W229 PolarHBondContact O-N 3.47Å; A225-L264 HydrophobicContact CB-CD2 3.76Å
226	R	96.9	Very high	96.3	Very high	150 Å²	150	47 Å²	47	57%	0.566	23%	0.232	S	C	*	.	H	α-helix	trans	-65.1	-43.5	-179.4	-174.2	171.5	179	120.3	1.4	112.6	M192 E196 C224 G230	M192-R226 HydrophobicContact CE-CG 4.24Å; M192-R226 HydrophobicContact SD-CB 3.73Å; M192-R226 HydrophobicContact SD-CG 3.68Å; E196-R226 WeakPolarHBondContact OE1-CG 3.31Å; E196-R226 IonicContact OE1-CZ 2.6Å; E196-R226 IonicContact OE1-NE 3.33Å; E196-R226 PolarHBondContact OE1-NE 2.92Å; E196-R226 IonicContact OE1-NH2 2.73Å; E196-R226 IonicContact OE2-CZ 3.12Å; E196-R226 IonicContact OE2-NE 3.3Å; E196-R226 PolarHBondContact OE2-NE 3.28Å; E196-R226 IonicContact OE2-NH2 3.69Å; E196-R226 PolarHBondContact OE2-NH2 2.93Å; C224-R226 PolarHBondContact O-N 3.18Å; C224-R226 VanDerWaalsContact O-N 3.12Å; R226-G230 PolarHBondContact O-N 3.18Å
227	A	97.9	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-37.8	175.9	0	0	0	0	0	111.7	M192 Y214 A217 L218 C224 G230 L231	M192-A227 HydrophobicContact CG-CB 4.04Å; M192-A227 HydrophobicContact SD-CB 4.22Å; Y214-A227 HydrophobicContact CD1-CB 4.4Å; A217-A227 HydrophobicContact CB-CB 4.1Å; L218-A227 HydrophobicContact CD2-CB 3.73Å; L218-A227 HydrophobicContact CG-CB 3.92Å; C224-A227 HydrophobicContact CB-CB 3.99Å; C224-A227 PolarHBondContact O-N 3.37Å; C224-A227 VanDerWaalsContact O-N 3.08Å; A227-G230 PolarHBondContact O-N 3.3Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 PolarHBondContact O-N 3.3Å
228	S	96.7	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-45.2	175.7	-57.7	0	0	0	0	111.9	L218 C224 A225 G230 L231 Y232 V257 L261	L218-S228 VanDerWaalsContact CD2-OG 3.26Å; L218-S228 WeakPolarHBondContact CD2-OG 3.44Å; C224-S228 PolarHBondContact O-N 3.38Å; C224-S228 PolarHBondContact O-OG 3.38Å; A225-S228 PolarHBondContact O-N 2.99Å; S228-G230 VanDerWaalsContact C-N 3.34Å; S228-G230 PolarHBondContact O-N 2.89Å; S228-L231 PolarHBondContact O-N 2.98Å; S228-Y232 WeakPolarHBondContact O-CB 3.33Å; S228-Y232 PolarHBondContact O-N 3.31Å; S228-V257 WeakPolarHBondContact O-CG2 3.42Å; S228-L261 VanDerWaalsContact CB-CD2 3.43Å
229	W	96.3	Very high	95.8	Very high	49 Å²	49	47 Å²	47	19%	0.186	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-39.6	173.5	-81.9	115.2	0	0	0	112.3	A225 Y232 M233 L261 Y265 M286 L287	A225-W229 WeakPolarHBondContact O-CB 3.42Å; A225-W229 PolarHBondContact O-N 3.47Å; W229-Y232 HydrophobicContact CE3-CD1 4.03Å; W229-Y232 HydrophobicContact CE3-CG 4.31Å; W229-Y232 AromaticContact CZ3-CD1 3.88Å; W229-Y232 HydrophobicContact CZ3-CD1 3.88Å; W229-Y232 HydrophobicContact CZ3-CE1 4.03Å; W229-Y232 HydrophobicContact CZ3-CG 4.23Å; W229-Y232 WeakPolarHBondContact O-CB 3.3Å; W229-Y232 PolarHBondContact O-N 3.48Å; W229-M233 VanDerWaalsContact O-CG 3.31Å; W229-M233 WeakPolarHBondContact O-CG 3.31Å; W229-M233 PolarHBondContact O-N 2.97Å; W229-L261 HydrophobicContact CD2-CD1 3.95Å; W229-L261 HydrophobicContact CD2-CD2 4.28Å; W229-L261 HydrophobicContact CE3-CD1 4.08Å; W229-L261 HydrophobicContact CG-CD1 4.44Å; W229-L261 HydrophobicContact CG-CD2 4.21Å; W229-L261 HydrophobicContact CH2-CD1 4.2Å; W229-L261 HydrophobicContact CZ2-CD1 4.12Å; W229-L261 HydrophobicContact CZ2-CD2 4.4Å; W229-L261 HydrophobicContact CZ3-CD1 4.22Å; W229-Y265 HydrophobicContact CZ2-CE2 4.2Å; W229-Y265 AromaticContact NE1-CE2 3.72Å; W229-Y265 AromaticContact NE1-CZ 3.86Å; W229-Y265 PolarHBondContact NE1-OH 3.04Å; W229-Y265 VanDerWaalsContact NE1-OH 3.08Å; W229-M286 HydrophobicContact CH2-CE 3.11Å; W229-M286 HydrophobicContact CH2-CG 3.86Å; W229-M286 HydrophobicContact CH2-SD 3.61Å; W229-M286 HydrophobicContact CZ2-CE 3.14Å; W229-M286 HydrophobicContact CZ2-SD 4.12Å; W229-M286 HydrophobicContact CZ3-CE 4.08Å; W229-M286 HydrophobicContact CZ3-CG 4.23Å; W229-M286 HydrophobicContact CZ3-SD 4.02Å; W229-L287 HydrophobicContact CH2-CD2 3.55Å; W229-L287 HydrophobicContact CH2-CG 4.2Å; W229-L287 HydrophobicContact CZ2-CD2 4.33Å; W229-L287 HydrophobicContact CZ3-CD2 4.04Å
230	G	97	Very high	95.6	Very high	11 Å²	11	43.2 Å²	43.2	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-46.8	174.3	0	0	0	0	0	112.6	Y214 R226 A227 S228 M233 C234	Y214-G230 WeakPolarHBondContact CE2-O 3.39Å; Y214-G230 VanDerWaalsContact CZ-CA 3.43Å; R226-G230 PolarHBondContact O-N 3.18Å; A227-G230 PolarHBondContact O-N 3.3Å; S228-G230 VanDerWaalsContact C-N 3.34Å; S228-G230 PolarHBondContact O-N 2.89Å; G230-M233 PolarHBondContact O-N 3.2Å; G230-C234 VanDerWaalsContact O-CB 3.3Å; G230-C234 WeakPolarHBondContact O-CB 3.08Å; G230-C234 PolarHBondContact O-N 3.4Å
231	L	97.2	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-43.6	175.5	-178	59.2	0	0	0	112	K211 Y214 L218 A227 S228 M233 C234 C235 L253 W256 V257	K211-L231 HydrophobicContact CG-CD1 4.09Å; Y214-L231 HydrophobicContact CD2-CB 4.38Å; Y214-L231 HydrophobicContact CG-CB 4.23Å; L218-L231 HydrophobicContact CD1-CD2 3.85Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 PolarHBondContact O-N 3.3Å; S228-L231 PolarHBondContact O-N 2.98Å; L231-M233 PolarHBondContact O-N 2.95Å; L231-C234 WeakPolarHBondContact O-CB 3.44Å; L231-C234 PolarHBondContact O-N 3.47Å; L231-C235 PolarHBondContact O-N 2.94Å; L231-C235 PolarHBondContact O-SG 3.31Å; L231-L253 HydrophobicContact CD1-CD2 4.18Å; L231-W256 HydrophobicContact CD2-CE3 4.4Å; L231-W256 HydrophobicContact CD2-CZ3 4.04Å; L231-V257 HydrophobicContact CB-CG2 4.23Å; L231-V257 HydrophobicContact CD2-CB 4.21Å; L231-V257 HydrophobicContact CD2-CG2 4.15Å; L231-V257 HydrophobicContact CG-CB 4.49Å; L231-V257 HydrophobicContact CG-CG2 4.39Å
232	Y	95.8	Very high	95.2	Very high	6 Å²	6	42.5 Å²	42.5	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-55.3	-52.2	175.2	177.2	-86.6	0	0	0	111	S228 W229 C234 C235 V236 L254 V257 M286 L287 T290	S228-Y232 WeakPolarHBondContact O-CB 3.33Å; S228-Y232 PolarHBondContact O-N 3.31Å; W229-Y232 HydrophobicContact CE3-CD1 4.03Å; W229-Y232 HydrophobicContact CE3-CG 4.31Å; W229-Y232 AromaticContact CZ3-CD1 3.88Å; W229-Y232 HydrophobicContact CZ3-CD1 3.88Å; W229-Y232 HydrophobicContact CZ3-CE1 4.03Å; W229-Y232 HydrophobicContact CZ3-CG 4.23Å; W229-Y232 WeakPolarHBondContact O-CB 3.3Å; W229-Y232 PolarHBondContact O-N 3.48Å; Y232-C234 PolarHBondContact O-N 3.07Å; Y232-C235 PolarHBondContact O-N 3.15Å; Y232-V236 HydrophobicContact CD1-CG2 4.13Å; Y232-V236 HydrophobicContact CE1-CG2 3.87Å; Y232-V236 VanDerWaalsContact O-CG2 3.27Å; Y232-V236 WeakPolarHBondContact O-CG2 3.42Å; Y232-V236 PolarHBondContact O-N 3.37Å; Y232-L254 HydrophobicContact CD2-CD1 3.43Å; Y232-L254 VanDerWaalsContact CD2-CD1 3.43Å; Y232-L254 HydrophobicContact CE2-CD1 3.64Å; Y232-L254 HydrophobicContact CG-CD1 4.05Å; Y232-V257 HydrophobicContact CD2-CG1 4.17Å; Y232-M286 PolarHBondContact OH-O 3.35Å; Y232-L287 HydrophobicContact CD2-CD2 4.11Å; Y232-L287 HydrophobicContact CE2-CD2 3.8Å; Y232-L287 PolarHBondContact OH-O 3.15Å; Y232-T290 HydrophobicContact CE1-CG2 4.06Å; Y232-T290 WeakPolarHBondContact OH-CG2 3.23Å; Y232-T290 PolarHBondContact OH-OG1 3.38Å; Y232-T290 VanDerWaalsContact OH-OG1 3.11Å
233	M	94.7	Very high	95.1	Very high	109 Å²	109	43.3 Å²	43.3	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-39.3	179.8	-67.6	-57.1	-66.4	0	0	112.2	W229 G230 L231 C235 V236 Q237	W229-M233 VanDerWaalsContact O-CG 3.31Å; W229-M233 WeakPolarHBondContact O-CG 3.31Å; W229-M233 PolarHBondContact O-N 2.97Å; G230-M233 PolarHBondContact O-N 3.2Å; L231-M233 PolarHBondContact O-N 2.95Å; M233-C235 PolarHBondContact O-N 3.07Å; M233-V236 PolarHBondContact O-N 2.88Å; M233-Q237 WeakPolarHBondContact O-CB 3.36Å; M233-Q237 PolarHBondContact O-N 3.39Å
234	C	96.7	Very high	95.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-47.3	174.2	-176	0	0	0	0	111.4	L207 Y214 G230 L231 Y232 Q237 A238	L207-C234 PolarHBondContact O-SG 3.5Å; L207-C234 VanDerWaalsContact O-SG 3.32Å; Y214-C234 HydrophobicContact CD2-CB 4.26Å; Y214-C234 HydrophobicContact CE2-CB 4.15Å; G230-C234 VanDerWaalsContact O-CB 3.3Å; G230-C234 WeakPolarHBondContact O-CB 3.08Å; G230-C234 PolarHBondContact O-N 3.4Å; L231-C234 WeakPolarHBondContact O-CB 3.44Å; L231-C234 PolarHBondContact O-N 3.47Å; Y232-C234 PolarHBondContact O-N 3.07Å; C234-Q237 PolarHBondContact O-N 3.33Å; C234-A238 VanDerWaalsContact O-CB 3.27Å; C234-A238 WeakPolarHBondContact O-CB 3.25Å; C234-A238 PolarHBondContact O-N 3.36Å
235	C	95.7	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-46.9	177.5	-69.2	0	0	0	0	111.7	L231 Y232 M233 Q237 A238 I239 F250 L254	L231-C235 PolarHBondContact O-N 2.94Å; L231-C235 PolarHBondContact O-SG 3.31Å; Y232-C235 PolarHBondContact O-N 3.15Å; M233-C235 PolarHBondContact O-N 3.07Å; C235-Q237 VanDerWaalsContact C-N 3.26Å; C235-Q237 PolarHBondContact O-N 2.91Å; C235-A238 PolarHBondContact O-N 3.04Å; C235-A238 VanDerWaalsContact O-N 3.15Å; C235-I239 HydrophobicContact CB-CD1 4.44Å; C235-I239 WeakPolarHBondContact O-CD1 3.42Å; C235-I239 WeakPolarHBondContact O-CG1 3.42Å; C235-I239 PolarHBondContact O-N 3Å; C235-F250 HydrophobicContact CB-CD1 4.31Å; C235-L254 HydrophobicContact CB-CB 3.94Å; C235-L254 HydrophobicContact CB-CD1 4.04Å; C235-L254 HydrophobicContact CB-CG 4.45Å
236	V	94.1	Very high	95.1	Very high	31 Å²	31	50.3 Å²	50.3	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-39.6	178.4	170.8	0	0	0	0	111.7	Y232 M233 P240 L254 T290 I292	Y232-V236 HydrophobicContact CD1-CG2 4.13Å; Y232-V236 HydrophobicContact CE1-CG2 3.87Å; Y232-V236 VanDerWaalsContact O-CG2 3.27Å; Y232-V236 WeakPolarHBondContact O-CG2 3.42Å; Y232-V236 PolarHBondContact O-N 3.37Å; M233-V236 PolarHBondContact O-N 2.88Å; V236-P240 WeakPolarHBondContact O-CD 3.49Å; V236-L254 HydrophobicContact CG2-CD1 3.96Å; V236-L254 HydrophobicContact CG2-CD2 4.33Å; V236-T290 HydrophobicContact CB-CG2 4.43Å; V236-T290 HydrophobicContact CG1-CG2 3.96Å; V236-T290 HydrophobicContact CG2-CG2 3.52Å; V236-I292 HydrophobicContact CB-CD1 4.43Å; V236-I292 HydrophobicContact CG1-CD1 3.95Å
237	Q	94	Very high	94.9	Very high	75 Å²	75	47.5 Å²	47.5	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-74	-32.6	178.1	-169.3	-177.8	-0.7	0	0	113	L207 M233 C234 C235 K241	L207-Q237 HydrophobicContact CD1-CG 4.11Å; L207-Q237 HydrophobicContact CD2-CB 4.47Å; L207-Q237 HydrophobicContact CD2-CG 4.37Å; M233-Q237 WeakPolarHBondContact O-CB 3.36Å; M233-Q237 PolarHBondContact O-N 3.39Å; C234-Q237 PolarHBondContact O-N 3.33Å; C235-Q237 VanDerWaalsContact C-N 3.26Å; C235-Q237 PolarHBondContact O-N 2.91Å; Q237-K241 WeakPolarHBondContact O-CE 3.18Å
238	A	95.3	Very high	94.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-80.1	-42.5	-177.3	0	0	0	0	0	113.2	M204 L207 C234 C235 P240 K241 V242 F250	M204-A238 HydrophobicContact CE-CB 4.22Å; L207-A238 HydrophobicContact CD1-CB 4.19Å; C234-A238 VanDerWaalsContact O-CB 3.27Å; C234-A238 WeakPolarHBondContact O-CB 3.25Å; C234-A238 PolarHBondContact O-N 3.36Å; C235-A238 PolarHBondContact O-N 3.04Å; C235-A238 VanDerWaalsContact O-N 3.15Å; A238-P240 VanDerWaalsContact C-CD 3.5Å; A238-K241 WeakPolarHBondContact O-CA 3.31Å; A238-K241 WeakPolarHBondContact O-CB 3.32Å; A238-K241 PolarHBondContact O-N 3.46Å; A238-V242 PolarHBondContact O-N 3.31Å; A238-F250 HydrophobicContact CB-CD1 3.81Å; A238-F250 HydrophobicContact CB-CD2 4.09Å; A238-F250 HydrophobicContact CB-CE1 3.57Å; A238-F250 HydrophobicContact CB-CE2 3.89Å; A238-F250 HydrophobicContact CB-CG 4.06Å; A238-F250 HydrophobicContact CB-CZ 3.62Å
239	I	94.4	Very high	94.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-53.8	-42.8	-171.3	-70.1	160.2	0	0	0	114.1	C235 K241 V242 R247 F250 I251 L254 I292	C235-I239 HydrophobicContact CB-CD1 4.44Å; C235-I239 WeakPolarHBondContact O-CD1 3.42Å; C235-I239 WeakPolarHBondContact O-CG1 3.42Å; C235-I239 PolarHBondContact O-N 3Å; I239-K241 PolarHBondContact O-N 2.66Å; I239-V242 PolarHBondContact O-N 2.91Å; I239-R247 HydrophobicContact CG2-CG 4.18Å; I239-R247 PolarHBondContact O-NH1 3Å; I239-F250 HydrophobicContact CD1-CB 4.23Å; I239-F250 HydrophobicContact CG1-CB 3.59Å; I239-I251 HydrophobicContact CD1-CG1 3.91Å; I239-I251 HydrophobicContact CG1-CG1 4.17Å; I239-I251 HydrophobicContact CG2-CD1 4.5Å; I239-I251 HydrophobicContact CG2-CG1 4.26Å; I239-L254 HydrophobicContact CD1-CB 4.3Å; I239-L254 HydrophobicContact CD1-CD2 3.61Å; I239-I292 HydrophobicContact CB-CG2 3.96Å; I239-I292 HydrophobicContact CD1-CG2 3.58Å; I239-I292 HydrophobicContact CG1-CG2 4.32Å; I239-I292 HydrophobicContact CG2-CG2 3.42Å; I239-I292 VanDerWaalsContact CG2-CG2 3.42Å
240	P	93	Very high	94.6	Very high	91 Å²	91	55.9 Å²	55.9	59%	0.591	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.4	177.2	-22.9	34.7	0	0	0	114.3	V236 A238	V236-P240 WeakPolarHBondContact O-CD 3.49Å; A238-P240 VanDerWaalsContact C-CD 3.5Å
241	K	93.2	Very high	94.5	Very high	113 Å²	113	56.4 Å²	56.4	49%	0.491	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-99.8	-6.3	-172.6	-58.4	177.3	-175.7	179.8	0	113.6	M204 L207 Q237 A238 I239	M204-K241 HydrophobicContact CG-CB 4.1Å; M204-K241 HydrophobicContact CG-CD 4.46Å; M204-K241 HydrophobicContact SD-CB 3.43Å; M204-K241 WeakPolarHBondContact SD-CB 3.48Å; M204-K241 HydrophobicContact SD-CD 3.79Å; M204-K241 HydrophobicContact SD-CG 4.26Å; L207-K241 HydrophobicContact CD1-CD 4.47Å; Q237-K241 WeakPolarHBondContact O-CE 3.18Å; A238-K241 WeakPolarHBondContact O-CA 3.31Å; A238-K241 WeakPolarHBondContact O-CB 3.32Å; A238-K241 PolarHBondContact O-N 3.46Å; I239-K241 PolarHBondContact O-N 2.66Å
242	V	93.9	Very high	94.4	Very high	18 Å²	18	60.7 Å²	60.7	11%	0.109	32%	0.318	C	S	.	.			trans	-122.3	155.2	-177.8	-64.4	0	0	0	0	112.3	M204 A238 I239 K246 R247 F250	M204-V242 HydrophobicContact CE-CG1 3.17Å; M204-V242 HydrophobicContact SD-CG1 3.91Å; A238-V242 PolarHBondContact O-N 3.31Å; I239-V242 PolarHBondContact O-N 2.91Å; V242-K246 HydrophobicContact CB-CB 4.24Å; V242-K246 HydrophobicContact CG1-CB 4.48Å; V242-R247 HydrophobicContact CG2-CB 3.86Å; V242-R247 HydrophobicContact CG2-CG 4.26Å; V242-F250 HydrophobicContact CG2-CD2 4.06Å
243	S	93.4	Very high	94.3	Very high	99 Å²	99	62 Å²	62	69%	0.692	33%	0.325	S	S	*	.			trans	-128.6	171.8	176.4	63.3	0	0	0	0	111.2
244	G	94.2	Very high	94.3	Very high	53 Å²	53	56.8 Å²	56.8	55%	0.546	30%	0.299	S	S	.	.	H	α-helix	trans	62.1	-138.8	173.8	0	0	0	0	0	114.6	K246 R247 K248	G244-K246 PolarHBondContact O-N 2.95Å; G244-R247 PolarHBondContact O-N 3.24Å; G244-K248 PolarHBondContact O-N 3.36Å
245	H	93.7	Very high	94.2	Very high	151 Å²	151	62.4 Å²	62.4	70%	0.699	32%	0.321	S	S	*	.	H	α-helix	trans	-60.1	-43.6	-176.8	-174.8	-41.8	0	0	0	112.3	R247 K248 E249	H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.39Å; H245-K248 PolarHBondContact O-N 3.49Å; H245-K248 VanDerWaalsContact O-N 3.12Å; H245-E249 PolarHBondContact O-N 2.94Å
246	K	92.9	Very high	94.1	Very high	100 Å²	100	68.9 Å²	68.9	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-41.4	-179.2	-69.9	-171.6	172.5	-162.7	0	111.4	E208 V242 G244 K248 E249 F250	E208-K246 WeakPolarHBondContact OE1-CD 3.46Å; E208-K246 WeakPolarHBondContact OE1-CE 3.29Å; E208-K246 IonicContact OE1-NZ 2.72Å; E208-K246 PolarHBondContact OE1-NZ 2.94Å; E208-K246 IonicContact OE2-NZ 3.74Å; E208-K246 PolarHBondContact OE2-NZ 3.5Å; V242-K246 HydrophobicContact CB-CB 4.24Å; V242-K246 HydrophobicContact CG1-CB 4.48Å; G244-K246 PolarHBondContact O-N 2.95Å; K246-K248 PolarHBondContact O-N 3.45Å; K246-E249 WeakPolarHBondContact O-CB 3.47Å; K246-E249 PolarHBondContact O-N 3.43Å; K246-F250 VanDerWaalsContact O-CD2 3.29Å; K246-F250 WeakPolarHBondContact O-CD2 3.34Å; K246-F250 PolarHBondContact O-N 2.95Å; K246-F250 VanDerWaalsContact O-N 3.13Å
247	R	94	Very high	94.1	Very high	91 Å²	91	67.4 Å²	67.4	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.7	-169.1	-176	176.5	113.9	-7.4	112.3	I239 V242 G244 H245 E249 F250 I251	I239-R247 HydrophobicContact CG2-CG 4.18Å; I239-R247 PolarHBondContact O-NH1 3Å; V242-R247 HydrophobicContact CG2-CB 3.86Å; V242-R247 HydrophobicContact CG2-CG 4.26Å; G244-R247 PolarHBondContact O-N 3.24Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.39Å; R247-E249 VanDerWaalsContact C-N 3.31Å; R247-E249 PolarHBondContact O-N 3.32Å; R247-F250 PolarHBondContact O-N 3.5Å; R247-I251 HydrophobicContact CG-CD1 3.98Å; R247-I251 WeakPolarHBondContact O-CG1 3.35Å; R247-I251 PolarHBondContact O-N 2.97Å
248	K	94.4	Very high	94.1	Very high	155 Å²	155	65 Å²	65	67%	0.674	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-42.1	177.8	-68.3	-176.7	179.1	-177.9	0	111.6	G244 H245 K246 I251 T252	G244-K248 PolarHBondContact O-N 3.36Å; H245-K248 PolarHBondContact O-N 3.49Å; H245-K248 VanDerWaalsContact O-N 3.12Å; K246-K248 PolarHBondContact O-N 3.45Å; K248-I251 PolarHBondContact O-N 3.39Å; K248-T252 PolarHBondContact O-N 2.73Å; K248-T252 PolarHBondContact O-OG1 3.34Å
249	E	94.3	Very high	93.9	Very high	69 Å²	69	69.6 Å²	69.6	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-52.8	177.1	-170.2	-168.9	158.1	0	0	111.5	K211 H245 K246 R247 I251 T252 L253	K211-E249 IonicContact NZ-OE1 2.7Å; K211-E249 PolarHBondContact NZ-OE1 3.42Å; K211-E249 IonicContact NZ-OE2 2.65Å; H245-E249 PolarHBondContact O-N 2.94Å; K246-E249 WeakPolarHBondContact O-CB 3.47Å; K246-E249 PolarHBondContact O-N 3.43Å; R247-E249 VanDerWaalsContact C-N 3.31Å; R247-E249 PolarHBondContact O-N 3.32Å; E249-I251 VanDerWaalsContact C-N 3.31Å; E249-I251 PolarHBondContact O-N 2.6Å; E249-T252 PolarHBondContact O-N 3.34Å; E249-T252 VanDerWaalsContact O-N 3.17Å; E249-L253 HydrophobicContact CG-CD1 3.84Å; E249-L253 WeakPolarHBondContact O-CD1 3.43Å; E249-L253 PolarHBondContact O-N 3.34Å
250	F	95	Very high	93.8	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-36.7	177.9	-79.9	-74.1	0	0	0	113.2	M204 E208 K211 C235 A238 I239 V242 K246 R247 L253 L254	M204-F250 HydrophobicContact CE-CE2 4.35Å; E208-F250 HydrophobicContact CG-CZ 4.29Å; K211-F250 HydrophobicContact CB-CE1 4.15Å; K211-F250 HydrophobicContact CD-CD1 4.25Å; K211-F250 HydrophobicContact CD-CE1 3.73Å; K211-F250 HydrophobicContact CD-CZ 4.09Å; K211-F250 HydrophobicContact CG-CE1 4.17Å; C235-F250 HydrophobicContact CB-CD1 4.31Å; A238-F250 HydrophobicContact CB-CD1 3.81Å; A238-F250 HydrophobicContact CB-CD2 4.09Å; A238-F250 HydrophobicContact CB-CE1 3.57Å; A238-F250 HydrophobicContact CB-CE2 3.89Å; A238-F250 HydrophobicContact CB-CG 4.06Å; A238-F250 HydrophobicContact CB-CZ 3.62Å; I239-F250 HydrophobicContact CD1-CB 4.23Å; I239-F250 HydrophobicContact CG1-CB 3.59Å; V242-F250 HydrophobicContact CG2-CD2 4.06Å; K246-F250 VanDerWaalsContact O-CD2 3.29Å; K246-F250 WeakPolarHBondContact O-CD2 3.34Å; K246-F250 PolarHBondContact O-N 2.95Å; K246-F250 VanDerWaalsContact O-N 3.13Å; R247-F250 PolarHBondContact O-N 3.5Å; F250-L253 PolarHBondContact O-N 3.32Å; F250-L254 VanDerWaalsContact O-CB 3.27Å; F250-L254 WeakPolarHBondContact O-CB 3.33Å; F250-L254 PolarHBondContact O-N 3.42Å
251	I	94.1	Very high	93.8	Very high	22 Å²	22	66.3 Å²	66.3	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-43.2	175.4	-69.6	168.8	0	0	0	110.9	I239 R247 K248 E249 L254 R255	I239-I251 HydrophobicContact CD1-CG1 3.91Å; I239-I251 HydrophobicContact CG1-CG1 4.17Å; I239-I251 HydrophobicContact CG2-CD1 4.5Å; I239-I251 HydrophobicContact CG2-CG1 4.26Å; R247-I251 HydrophobicContact CG-CD1 3.98Å; R247-I251 WeakPolarHBondContact O-CG1 3.35Å; R247-I251 PolarHBondContact O-N 2.97Å; K248-I251 PolarHBondContact O-N 3.39Å; E249-I251 VanDerWaalsContact C-N 3.31Å; E249-I251 PolarHBondContact O-N 2.6Å; I251-L254 PolarHBondContact O-N 2.95Å; I251-R255 WeakPolarHBondContact O-CG 3.33Å; I251-R255 PolarHBondContact O-N 3.1Å
252	T	94.8	Very high	93.6	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-44.9	176.4	-64.4	0	0	0	0	111.4	K248 E249 L254 R255 W256	K248-T252 PolarHBondContact O-N 2.73Å; K248-T252 PolarHBondContact O-OG1 3.34Å; E249-T252 PolarHBondContact O-N 3.34Å; E249-T252 VanDerWaalsContact O-N 3.17Å; T252-L254 VanDerWaalsContact C-N 3.35Å; T252-L254 PolarHBondContact O-N 3.31Å; T252-R255 PolarHBondContact O-N 3.12Å; T252-W256 PolarHBondContact O-N 3.44Å
253	L	94.6	Very high	93.5	Very high	32 Å²	32	69 Å²	69	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-40.1	175.2	-86.4	83.7	0	0	0	112.1	K211 L231 E249 F250 R255 W256 V257	K211-L253 HydrophobicContact CD-CD2 3.9Å; K211-L253 HydrophobicContact CG-CD2 3.75Å; L231-L253 HydrophobicContact CD1-CD2 4.18Å; E249-L253 HydrophobicContact CG-CD1 3.84Å; E249-L253 WeakPolarHBondContact O-CD1 3.43Å; E249-L253 PolarHBondContact O-N 3.34Å; F250-L253 PolarHBondContact O-N 3.32Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.23Å; L253-W256 PolarHBondContact O-N 3.28Å; L253-V257 WeakPolarHBondContact O-CG1 3.29Å; L253-V257 PolarHBondContact O-N 3.34Å
254	L	94.8	Very high	93.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-41.7	177.3	-177.7	60	0	0	0	111.7	Y232 C235 V236 I239 F250 I251 T252 V257 T258 I292 V293	Y232-L254 HydrophobicContact CD2-CD1 3.43Å; Y232-L254 VanDerWaalsContact CD2-CD1 3.43Å; Y232-L254 HydrophobicContact CE2-CD1 3.64Å; Y232-L254 HydrophobicContact CG-CD1 4.05Å; C235-L254 HydrophobicContact CB-CB 3.94Å; C235-L254 HydrophobicContact CB-CD1 4.04Å; C235-L254 HydrophobicContact CB-CG 4.45Å; V236-L254 HydrophobicContact CG2-CD1 3.96Å; V236-L254 HydrophobicContact CG2-CD2 4.33Å; I239-L254 HydrophobicContact CD1-CB 4.3Å; I239-L254 HydrophobicContact CD1-CD2 3.61Å; F250-L254 VanDerWaalsContact O-CB 3.27Å; F250-L254 WeakPolarHBondContact O-CB 3.33Å; F250-L254 PolarHBondContact O-N 3.42Å; I251-L254 PolarHBondContact O-N 2.95Å; T252-L254 VanDerWaalsContact C-N 3.35Å; T252-L254 PolarHBondContact O-N 3.31Å; L254-V257 HydrophobicContact CD1-CG1 4.45Å; L254-V257 WeakPolarHBondContact O-CG1 3.38Å; L254-T258 VanDerWaalsContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CB 3.48Å; L254-T258 PolarHBondContact O-N 3.41Å; L254-T258 VanDerWaalsContact O-N 3.07Å; L254-T258 PolarHBondContact O-OG1 3.49Å; L254-I292 HydrophobicContact CD2-CB 4.42Å; L254-I292 HydrophobicContact CD2-CG2 4.28Å; L254-V293 HydrophobicContact CD2-CG2 3.64Å; L254-V293 HydrophobicContact CG-CG2 4Å
255	R	93.4	Very high	93.2	Very high	119 Å²	119	65 Å²	65	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-52.4	174	-73.2	176.6	179.9	171	2.1	111.2	I251 T252 L253 V257 T258 D259 V293	I251-R255 WeakPolarHBondContact O-CG 3.33Å; I251-R255 PolarHBondContact O-N 3.1Å; T252-R255 PolarHBondContact O-N 3.12Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.23Å; R255-V257 PolarHBondContact O-N 2.93Å; R255-T258 WeakPolarHBondContact O-CB 3.32Å; R255-T258 PolarHBondContact O-N 3.19Å; R255-T258 VanDerWaalsContact O-N 3.15Å; R255-D259 PolarHBondContact O-N 2.88Å; R255-V293 HydrophobicContact CG-CG1 3.54Å; R255-V293 PolarHBondContact NH2-O 3.15Å
256	W	94.4	Very high	93	Very high	136 Å²	136	58.7 Å²	58.7	52%	0.515	27%	0.27	S	S	.	.	H	α-helix	trans	-57.1	-46.9	179.9	174.9	82.7	0	0	0	112.8	L218 L231 T252 L253 T258 D259 S260	L218-W256 HydrophobicContact CD1-CH2 4.09Å; L218-W256 HydrophobicContact CD1-CZ3 3.9Å; L231-W256 HydrophobicContact CD2-CE3 4.4Å; L231-W256 HydrophobicContact CD2-CZ3 4.04Å; T252-W256 PolarHBondContact O-N 3.44Å; L253-W256 PolarHBondContact O-N 3.28Å; W256-T258 VanDerWaalsContact C-N 3.29Å; W256-T258 PolarHBondContact O-N 2.65Å; W256-D259 PolarHBondContact O-N 3.32Å; W256-S260 WeakPolarHBondContact O-CB 3.46Å; W256-S260 PolarHBondContact O-N 3.27Å
257	V	94.4	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-29.4	-178.7	74.9	0	0	0	0	112	S228 L231 Y232 L253 L254 R255 L261	S228-V257 WeakPolarHBondContact O-CG2 3.42Å; L231-V257 HydrophobicContact CB-CG2 4.23Å; L231-V257 HydrophobicContact CD2-CB 4.21Å; L231-V257 HydrophobicContact CD2-CG2 4.15Å; L231-V257 HydrophobicContact CG-CB 4.49Å; L231-V257 HydrophobicContact CG-CG2 4.39Å; Y232-V257 HydrophobicContact CD2-CG1 4.17Å; L253-V257 WeakPolarHBondContact O-CG1 3.29Å; L253-V257 PolarHBondContact O-N 3.34Å; L254-V257 HydrophobicContact CD1-CG1 4.45Å; L254-V257 WeakPolarHBondContact O-CG1 3.38Å; R255-V257 PolarHBondContact O-N 2.93Å; V257-L261 HydrophobicContact CG2-CD1 4.35Å; V257-L261 VanDerWaalsContact O-CB 3.31Å; V257-L261 WeakPolarHBondContact O-CB 3.29Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.43Å; V257-L261 PolarHBondContact O-N 3.06Å
258	T	93.2	Very high	92.4	Very high	23 Å²	23	60 Å²	60	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-47.1	174.2	-65.4	0	0	0	0	111	L254 R255 W256 L261 F262 L287	L254-T258 VanDerWaalsContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CB 3.48Å; L254-T258 PolarHBondContact O-N 3.41Å; L254-T258 VanDerWaalsContact O-N 3.07Å; L254-T258 PolarHBondContact O-OG1 3.49Å; R255-T258 WeakPolarHBondContact O-CB 3.32Å; R255-T258 PolarHBondContact O-N 3.19Å; R255-T258 VanDerWaalsContact O-N 3.15Å; W256-T258 VanDerWaalsContact C-N 3.29Å; W256-T258 PolarHBondContact O-N 2.65Å; T258-L261 PolarHBondContact O-N 2.93Å; T258-F262 WeakPolarHBondContact O-CB 3.41Å; T258-F262 PolarHBondContact O-N 3.19Å; T258-L287 HydrophobicContact CG2-CB 3.85Å; T258-L287 HydrophobicContact CG2-CD1 4.17Å; T258-L287 HydrophobicContact CG2-CD2 4.22Å; T258-L287 HydrophobicContact CG2-CG 4.29Å
259	D	91.7	Very high	91.9	Very high	98 Å²	98	53.8 Å²	53.8	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-45.8	177.1	-63.8	-26.2	0	0	0	110.8	R255 W256 L261 F262 E263	R255-D259 PolarHBondContact O-N 2.88Å; W256-D259 PolarHBondContact O-N 3.32Å; D259-L261 PolarHBondContact O-N 3.26Å; D259-F262 PolarHBondContact O-N 3.45Å; D259-F262 VanDerWaalsContact O-N 3.14Å; D259-E263 WeakPolarHBondContact O-CG 3.41Å; D259-E263 PolarHBondContact O-N 3.36Å
260	S	92.2	Very high	90.7	Very high	22 Å²	22	55 Å²	55	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-42.3	177.3	178.2	0	0	0	0	113	W256 E263 L264	W256-S260 WeakPolarHBondContact O-CB 3.46Å; W256-S260 PolarHBondContact O-N 3.27Å; S260-E263 PolarHBondContact O-N 3.19Å; S260-L264 WeakPolarHBondContact O-CB 3.43Å; S260-L264 PolarHBondContact O-N 2.96Å
261	L	92.4	Very high	89.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-45.2	173.6	-81.6	168.1	0	0	0	111	S228 W229 V257 T258 D259 E263 L264 Y265 L287	S228-L261 VanDerWaalsContact CB-CD2 3.43Å; W229-L261 HydrophobicContact CD2-CD1 3.95Å; W229-L261 HydrophobicContact CD2-CD2 4.28Å; W229-L261 HydrophobicContact CE3-CD1 4.08Å; W229-L261 HydrophobicContact CG-CD1 4.44Å; W229-L261 HydrophobicContact CG-CD2 4.21Å; W229-L261 HydrophobicContact CH2-CD1 4.2Å; W229-L261 HydrophobicContact CZ2-CD1 4.12Å; W229-L261 HydrophobicContact CZ2-CD2 4.4Å; W229-L261 HydrophobicContact CZ3-CD1 4.22Å; V257-L261 HydrophobicContact CG2-CD1 4.35Å; V257-L261 VanDerWaalsContact O-CB 3.31Å; V257-L261 WeakPolarHBondContact O-CB 3.29Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.43Å; V257-L261 PolarHBondContact O-N 3.06Å; T258-L261 PolarHBondContact O-N 2.93Å; D259-L261 PolarHBondContact O-N 3.26Å; L261-E263 VanDerWaalsContact C-N 3.35Å; L261-E263 PolarHBondContact O-N 3.17Å; L261-L264 PolarHBondContact O-N 3.34Å; L261-Y265 HydrophobicContact CD2-CE2 4.25Å; L261-Y265 WeakPolarHBondContact O-CD2 3.29Å; L261-Y265 PolarHBondContact O-N 3.12Å; L261-L287 HydrophobicContact CB-CD1 4.33Å; L261-L287 HydrophobicContact CB-CD2 4.28Å; L261-L287 HydrophobicContact CD1-CD2 3.89Å
262	F	90.8	Very high	88.5	Confident	53 Å²	53	68.6 Å²	68.6	23%	0.232	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-41.4	179.5	-176.4	-102.7	0	0	0	112.1	T258 D259 S266 L280 R284 L287	T258-F262 WeakPolarHBondContact O-CB 3.41Å; T258-F262 PolarHBondContact O-N 3.19Å; D259-F262 PolarHBondContact O-N 3.45Å; D259-F262 VanDerWaalsContact O-N 3.14Å; F262-S266 VanDerWaalsContact O-CB 3.23Å; F262-S266 WeakPolarHBondContact O-CB 3.27Å; F262-S266 PolarHBondContact O-N 3.39Å; F262-S266 PolarHBondContact O-OG 2.86Å; F262-L280 HydrophobicContact CE2-CB 4.24Å; F262-L280 HydrophobicContact CE2-CD1 4.31Å; F262-L280 HydrophobicContact CE2-CD2 4.3Å; F262-L280 HydrophobicContact CZ-CD1 4.12Å; F262-R284 HydrophobicContact CD2-CG 3.82Å; F262-R284 HydrophobicContact CE2-CG 3.39Å; F262-R284 VanDerWaalsContact CE2-NE 3.26Å; F262-R284 HydrophobicContact CZ-CG 4.27Å; F262-R284 VanDerWaalsContact CZ-NE 3.26Å; F262-L287 HydrophobicContact CB-CD1 4.09Å
263	E	90.8	Very high	87.4	Confident	135 Å²	135	70 Å²	70	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-46.6	173.5	-73.3	179.2	173.5	0	0	112.1	D259 S260 L261 Y265 S266 S267	D259-E263 WeakPolarHBondContact O-CG 3.41Å; D259-E263 PolarHBondContact O-N 3.36Å; S260-E263 PolarHBondContact O-N 3.19Å; L261-E263 VanDerWaalsContact C-N 3.35Å; L261-E263 PolarHBondContact O-N 3.17Å; E263-Y265 PolarHBondContact O-N 3.33Å; E263-S266 PolarHBondContact O-N 3.44Å; E263-S266 VanDerWaalsContact O-N 3.16Å; E263-S267 PolarHBondContact O-N 3.25Å
264	L	91.7	Very high	86.4	Confident	11 Å²	11	76.4 Å²	76.4	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-55.8	-50.9	179.2	178.5	63.4	0	0	0	111.2	N223 A225 S260 L261 S267 Q268	N223-L264 HydrophobicContact CB-CD1 3.72Å; A225-L264 HydrophobicContact CB-CD2 3.76Å; S260-L264 WeakPolarHBondContact O-CB 3.43Å; S260-L264 PolarHBondContact O-N 2.96Å; L261-L264 PolarHBondContact O-N 3.34Å; L264-S267 PolarHBondContact O-N 3.47Å; L264-S267 PolarHBondContact O-OG 3.42Å; L264-Q268 WeakPolarHBondContact O-CG 3.38Å
265	Y	90.6	Very high	85.5	Confident	58 Å²	58	81.4 Å²	81.4	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-68.6	-38.3	177.5	-75.5	-73	0	0	0	112.1	W229 L261 E263 S267 Q268 V269 I283	W229-Y265 HydrophobicContact CZ2-CE2 4.2Å; W229-Y265 AromaticContact NE1-CE2 3.72Å; W229-Y265 AromaticContact NE1-CZ 3.86Å; W229-Y265 PolarHBondContact NE1-OH 3.04Å; W229-Y265 VanDerWaalsContact NE1-OH 3.08Å; L261-Y265 HydrophobicContact CD2-CE2 4.25Å; L261-Y265 WeakPolarHBondContact O-CD2 3.29Å; L261-Y265 PolarHBondContact O-N 3.12Å; E263-Y265 PolarHBondContact O-N 3.33Å; Y265-S267 PolarHBondContact O-N 2.98Å; Y265-Q268 PolarHBondContact O-N 3.45Å; Y265-V269 WeakPolarHBondContact O-CG2 3.27Å; Y265-I283 HydrophobicContact CD1-CD1 3.74Å; Y265-I283 HydrophobicContact CD2-CD1 4.04Å; Y265-I283 HydrophobicContact CD2-CG1 4.47Å; Y265-I283 HydrophobicContact CD2-CG2 3.96Å; Y265-I283 HydrophobicContact CE1-CD1 4.44Å; Y265-I283 HydrophobicContact CG-CD1 3.52Å; Y265-I283 HydrophobicContact CG-CG1 4.41Å; Y265-I283 HydrophobicContact CG-CG2 4.46Å
266	S	88.8	Confident	84.9	Confident	18 Å²	18	80.7 Å²	80.7	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-32.7	176.3	-65.9	0	0	0	0	112.8	F262 E263 Q268	F262-S266 VanDerWaalsContact O-CB 3.23Å; F262-S266 WeakPolarHBondContact O-CB 3.27Å; F262-S266 PolarHBondContact O-N 3.39Å; F262-S266 PolarHBondContact O-OG 2.86Å; E263-S266 PolarHBondContact O-N 3.44Å; E263-S266 VanDerWaalsContact O-N 3.16Å; S266-Q268 VanDerWaalsContact C-N 3.33Å
267	S	88.6	Confident	84.3	Confident	90 Å²	90	78.5 Å²	78.5	63%	0.629	38%	0.376	S	S	*	.	H	α-helix	trans	-74.6	-17.9	177.4	75.7	0	0	0	0	114.7	E263 L264 Y265	E263-S267 PolarHBondContact O-N 3.25Å; L264-S267 PolarHBondContact O-N 3.47Å; L264-S267 PolarHBondContact O-OG 3.42Å; Y265-S267 PolarHBondContact O-N 2.98Å
268	Q	86.2	Confident	83.8	Confident	129 Å²	129	88.2 Å²	88.2	60%	0.603	41%	0.412	S	S	*	.	H	α-helix	trans	-94.4	-8.4	-177.8	-67.5	176.3	8	0	0	113.3	L264 Y265 S266	L264-Q268 WeakPolarHBondContact O-CG 3.38Å; Y265-Q268 PolarHBondContact O-N 3.45Å; S266-Q268 VanDerWaalsContact C-N 3.33Å
269	V	82.2	Confident	83.3	Confident	23 Å²	23	92 Å²	92	14%	0.139	43%	0.428	C	S	.	.	S	Bend	trans	-90.5	136.8	-175.9	176.2	0	0	0	0	110.2	Y265 R276 Q279 L280	Y265-V269 WeakPolarHBondContact O-CG2 3.27Å; V269-R276 HydrophobicContact CB-CG 4.37Å; V269-R276 VanDerWaalsContact CG1-CA 3.48Å; V269-R276 HydrophobicContact CG1-CB 3.72Å; V269-R276 HydrophobicContact CG1-CG 3.71Å; V269-Q279 HydrophobicContact CG1-CB 4.41Å; V269-Q279 HydrophobicContact CG2-CB 4.15Å; V269-L280 HydrophobicContact CG2-CD2 4.16Å; V269-L280 HydrophobicContact CG2-CG 4.44Å
270	D	70.1	Confident	83	Confident	96 Å²	96	87.3 Å²	87.3	51%	0.513	40%	0.403	S	S	.	.			trans	-62	154.7	177.5	-164.5	8.9	0	0	0	112.4	D272	D270-D272 PolarHBondContact O-N 2.95Å; D270-D272 VanDerWaalsContact O-N 3.13Å
271	W	67.8	Low	82.7	Confident	235 Å²	235	95.1 Å²	95.1	89%	0.89	43%	0.429	S	S	*	.	S	Bend	trans	-71.5	-5.6	-167.4	-64.8	90.3	0	0	0	115.2	D273	W271-D273 PolarHBondContact O-N 3.11Å; W271-D273 VanDerWaalsContact O-N 3.13Å
272	D	75.6	Confident	82.4	Confident	72 Å²	72	98.9 Å²	98.9	39%	0.385	45%	0.454	S	S	.	.			trans	-73.4	104	174.3	-178.6	-6.4	0	0	0	110.2	D270 K274 K275 R276	D270-D272 PolarHBondContact O-N 2.95Å; D270-D272 VanDerWaalsContact O-N 3.13Å; D272-K274 PolarHBondContact O-N 3.33Å; D272-K274 PolarHBondContact OD1-N 3.27Å; D272-K275 HydrophobicContact CB-CB 4.27Å; D272-K275 HydrophobicContact CB-CD 4.06Å; D272-K275 HydrophobicContact CB-CG 4.18Å; D272-K275 WeakPolarHBondContact O-CA 3.46Å; D272-K275 WeakPolarHBondContact O-CB 3.27Å; D272-K275 PolarHBondContact O-N 2.98Å; D272-K275 VanDerWaalsContact OD2-CE 3.29Å; D272-K275 WeakPolarHBondContact OD2-CE 3.47Å; D272-K275 IonicContact OD2-NZ 2.93Å; D272-R276 PolarHBondContact O-N 3.29Å
273	D	70.2	Confident	82.1	Confident	119 Å²	119	97.4 Å²	97.4	64%	0.636	45%	0.448	S	S	*	.	H	α-helix	trans	-48.8	-36.5	-176	-79.7	-27.9	0	0	0	114	W271 R276 E277	W271-D273 PolarHBondContact O-N 3.11Å; W271-D273 VanDerWaalsContact O-N 3.13Å; D273-R276 PolarHBondContact O-N 2.99Å; D273-E277 PolarHBondContact O-N 2.93Å; D273-E277 VanDerWaalsContact O-N 3.14Å
274	K	74.1	Confident	81.8	Confident	167 Å²	167	95.2 Å²	95.2	73%	0.726	43%	0.434	S	S	*	.	H	α-helix	trans	-71	-36.7	179.1	-74.5	-175.6	-179.1	175.2	0	112.1	D272 R276 R278	D272-K274 PolarHBondContact O-N 3.33Å; D272-K274 PolarHBondContact OD1-N 3.27Å; K274-R276 VanDerWaalsContact C-N 3.34Å; K274-R278 WeakPolarHBondContact O-CG 3.15Å
275	K	76.1	Confident	81.5	Confident	106 Å²	106	97.7 Å²	97.7	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-71.1	-36.9	173.4	-66	-179.5	-169.9	166.1	0	110.1	D272 R278 Q279	D272-K275 HydrophobicContact CB-CB 4.27Å; D272-K275 HydrophobicContact CB-CD 4.06Å; D272-K275 HydrophobicContact CB-CG 4.18Å; D272-K275 WeakPolarHBondContact O-CA 3.46Å; D272-K275 WeakPolarHBondContact O-CB 3.27Å; D272-K275 PolarHBondContact O-N 2.98Å; D272-K275 VanDerWaalsContact OD2-CE 3.29Å; D272-K275 WeakPolarHBondContact OD2-CE 3.47Å; D272-K275 IonicContact OD2-NZ 2.93Å; K275-R278 PolarHBondContact O-N 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.33Å; K275-Q279 PolarHBondContact O-N 3.28Å
276	R	81.1	Confident	81.2	Confident	103 Å²	103	99.6 Å²	99.6	39%	0.389	47%	0.468	S	S	.	.	H	α-helix	trans	-58.4	-53.3	-179.9	-174.7	174.2	-179.9	-157.6	0.9	113.6	V269 D272 D273 K274 R278 Q279 L280	V269-R276 HydrophobicContact CB-CG 4.37Å; V269-R276 VanDerWaalsContact CG1-CA 3.48Å; V269-R276 HydrophobicContact CG1-CB 3.72Å; V269-R276 HydrophobicContact CG1-CG 3.71Å; D272-R276 PolarHBondContact O-N 3.29Å; D273-R276 PolarHBondContact O-N 2.99Å; K274-R276 VanDerWaalsContact C-N 3.34Å; R276-R278 VanDerWaalsContact C-N 3.3Å; R276-R278 PolarHBondContact O-N 3.49Å; R276-Q279 PolarHBondContact O-N 3.49Å; R276-L280 HydrophobicContact CG-CD1 3.74Å; R276-L280 HydrophobicContact CG-CG 4.36Å; R276-L280 WeakPolarHBondContact O-CB 3.33Å; R276-L280 WeakPolarHBondContact O-CG 3.43Å; R276-L280 PolarHBondContact O-N 3.45Å
277	E	82.4	Confident	81	Confident	90 Å²	90	99.1 Å²	99.1	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-35	-179.6	-173.1	57.3	-151	0	0	111.9	D273 Q279 L280 R281 R284	D273-E277 PolarHBondContact O-N 2.93Å; D273-E277 VanDerWaalsContact O-N 3.14Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.7Å; E277-L280 PolarHBondContact O-N 3.27Å; E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.41Å; E277-R281 PolarHBondContact O-N 2.8Å; E277-R284 VanDerWaalsContact CD-NH1 3.27Å; E277-R284 IonicContact OE1-CZ 2.68Å; E277-R284 IonicContact OE1-NH1 3.64Å; E277-R284 PolarHBondContact OE1-NH1 3.12Å; E277-R284 IonicContact OE2-CZ 2.79Å; E277-R284 IonicContact OE2-NH1 2.81Å; E277-R284 PolarHBondContact OE2-NH1 3.03Å; E277-R284 IonicContact OE2-NH2 3.87Å; E277-R284 PolarHBondContact OE2-NH2 3.31Å
278	R	83	Confident	80.5	Confident	205 Å²	205	101.5 Å²	101.5	77%	0.774	46%	0.464	S	S	*	.	H	α-helix	trans	-63.1	-38.1	174.8	-74	177.5	178.1	-171.9	-0.3	112.6	K274 K275 R276 P282	K274-R278 WeakPolarHBondContact O-CG 3.15Å; K275-R278 PolarHBondContact O-N 3.26Å; R276-R278 VanDerWaalsContact C-N 3.3Å; R276-R278 PolarHBondContact O-N 3.49Å; R278-P282 WeakPolarHBondContact O-CD 3.2Å
279	Q	82.7	Confident	79.6	Confident	101 Å²	101	98.1 Å²	98.1	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-78	-35.2	179	-71.4	179.2	-14.8	0	0	112.7	V269 K275 R276 E277 P282	V269-Q279 HydrophobicContact CG1-CB 4.41Å; V269-Q279 HydrophobicContact CG2-CB 4.15Å; K275-Q279 WeakPolarHBondContact O-CG 3.33Å; K275-Q279 PolarHBondContact O-N 3.28Å; R276-Q279 PolarHBondContact O-N 3.49Å; E277-Q279 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.7Å; Q279-P282 WeakPolarHBondContact O-CD 3.4Å
280	L	85.6	Confident	78.8	Confident	1 Å²	1	98.2 Å²	98.2	1%	0.005	46%	0.464	C	S	.	.	H	α-helix	trans	-82.8	-25.4	-178	-67.7	179.4	0	0	0	114.2	F262 V269 R276 E277 I283 R284	F262-L280 HydrophobicContact CE2-CB 4.24Å; F262-L280 HydrophobicContact CE2-CD1 4.31Å; F262-L280 HydrophobicContact CE2-CD2 4.3Å; F262-L280 HydrophobicContact CZ-CD1 4.12Å; V269-L280 HydrophobicContact CG2-CD2 4.16Å; V269-L280 HydrophobicContact CG2-CG 4.44Å; R276-L280 HydrophobicContact CG-CD1 3.74Å; R276-L280 HydrophobicContact CG-CG 4.36Å; R276-L280 WeakPolarHBondContact O-CB 3.33Å; R276-L280 WeakPolarHBondContact O-CG 3.43Å; R276-L280 PolarHBondContact O-N 3.45Å; E277-L280 PolarHBondContact O-N 3.27Å; L280-I283 HydrophobicContact CD2-CD1 4.21Å; L280-I283 PolarHBondContact O-N 3.49Å; L280-I283 VanDerWaalsContact O-N 3.15Å; L280-R284 PolarHBondContact O-N 3.49Å
281	R	86	Confident	78.3	Confident	185 Å²	185	102.2 Å²	102.2	70%	0.698	48%	0.477	S	S	*	.	H	α-helix	trans	-56.4	-47.2	-179	177.4	-179.7	-179.3	-173.6	1.8	113.6	E277 I283 R284 A285	E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.41Å; E277-R281 PolarHBondContact O-N 2.8Å; R281-I283 VanDerWaalsContact C-N 3.31Å; R281-I283 PolarHBondContact O-N 3.39Å; R281-R284 PolarHBondContact O-N 3.13Å; R281-A285 WeakPolarHBondContact O-CB 3.34Å; R281-A285 PolarHBondContact O-N 3.26Å
282	P	86	Confident	78	Confident	80 Å²	80	92.7 Å²	92.7	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-37.8	175.6	-23.7	34.2	0	0	0	113.2	R278 Q279 A285 M286	R278-P282 WeakPolarHBondContact O-CD 3.2Å; Q279-P282 WeakPolarHBondContact O-CD 3.4Å; P282-A285 PolarHBondContact O-N 2.95Å; P282-M286 WeakPolarHBondContact O-CB 3.42Å; P282-M286 PolarHBondContact O-N 2.88Å
283	I	84.1	Confident	77	Confident	22 Å²	22	91.1 Å²	91.1	11%	0.113	44%	0.436	C	S	.	.	H	α-helix	trans	-67.2	-46.5	179.8	-63.8	159.3	0	0	0	110.1	Y265 L280 R281 A285 M286 L287	Y265-I283 HydrophobicContact CD1-CD1 3.74Å; Y265-I283 HydrophobicContact CD2-CD1 4.04Å; Y265-I283 HydrophobicContact CD2-CG1 4.47Å; Y265-I283 HydrophobicContact CD2-CG2 3.96Å; Y265-I283 HydrophobicContact CE1-CD1 4.44Å; Y265-I283 HydrophobicContact CG-CD1 3.52Å; Y265-I283 HydrophobicContact CG-CG1 4.41Å; Y265-I283 HydrophobicContact CG-CG2 4.46Å; L280-I283 HydrophobicContact CD2-CD1 4.21Å; L280-I283 PolarHBondContact O-N 3.49Å; L280-I283 VanDerWaalsContact O-N 3.15Å; R281-I283 VanDerWaalsContact C-N 3.31Å; R281-I283 PolarHBondContact O-N 3.39Å; I283-A285 VanDerWaalsContact C-N 3.3Å; I283-A285 PolarHBondContact O-N 3.07Å; I283-M286 PolarHBondContact O-N 3.32Å; I283-L287 HydrophobicContact CG2-CD1 3.8Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.48Å; I283-L287 VanDerWaalsContact O-CG 3.32Å; I283-L287 WeakPolarHBondContact O-CG 3.18Å; I283-L287 PolarHBondContact O-N 3.33Å
284	R	84.9	Confident	75.9	Confident	88 Å²	88	92.9 Å²	92.9	33%	0.332	44%	0.44	S	S	.	.	H	α-helix	trans	-59	-42	173.8	-69.8	-172.5	-169.9	140	5	111.7	F262 E277 L280 R281 L287 K288	F262-R284 HydrophobicContact CD2-CG 3.82Å; F262-R284 HydrophobicContact CE2-CG 3.39Å; F262-R284 VanDerWaalsContact CE2-NE 3.26Å; F262-R284 HydrophobicContact CZ-CG 4.27Å; F262-R284 VanDerWaalsContact CZ-NE 3.26Å; E277-R284 VanDerWaalsContact CD-NH1 3.27Å; E277-R284 IonicContact OE1-CZ 2.68Å; E277-R284 IonicContact OE1-NH1 3.64Å; E277-R284 PolarHBondContact OE1-NH1 3.12Å; E277-R284 IonicContact OE2-CZ 2.79Å; E277-R284 IonicContact OE2-NH1 2.81Å; E277-R284 PolarHBondContact OE2-NH1 3.03Å; E277-R284 IonicContact OE2-NH2 3.87Å; E277-R284 PolarHBondContact OE2-NH2 3.31Å; L280-R284 PolarHBondContact O-N 3.49Å; R281-R284 PolarHBondContact O-N 3.13Å; R284-L287 PolarHBondContact O-N 3.31Å; R284-K288 WeakPolarHBondContact O-CB 3.45Å; R284-K288 VanDerWaalsContact O-CG 3.29Å; R284-K288 WeakPolarHBondContact O-CG 3.39Å; R284-K288 PolarHBondContact O-N 3.45Å
285	A	85.9	Confident	74.3	Confident	63 Å²	63	90.6 Å²	90.6	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178.4	0	0	0	0	0	111.8	R281 P282 I283 K288 G289	R281-A285 WeakPolarHBondContact O-CB 3.34Å; R281-A285 PolarHBondContact O-N 3.26Å; P282-A285 PolarHBondContact O-N 2.95Å; I283-A285 VanDerWaalsContact C-N 3.3Å; I283-A285 PolarHBondContact O-N 3.07Å; A285-K288 PolarHBondContact O-N 3.32Å; A285-G289 PolarHBondContact O-N 3.18Å
286	M	84.4	Confident	74.2	Confident	98 Å²	98	89.9 Å²	89.9	48%	0.483	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-44.8	176.8	179.4	170.6	49.1	0	0	112.1	W229 Y232 P282 I283 K288 G289	W229-M286 HydrophobicContact CH2-CE 3.11Å; W229-M286 HydrophobicContact CH2-CG 3.86Å; W229-M286 HydrophobicContact CH2-SD 3.61Å; W229-M286 HydrophobicContact CZ2-CE 3.14Å; W229-M286 HydrophobicContact CZ2-SD 4.12Å; W229-M286 HydrophobicContact CZ3-CE 4.08Å; W229-M286 HydrophobicContact CZ3-CG 4.23Å; W229-M286 HydrophobicContact CZ3-SD 4.02Å; Y232-M286 PolarHBondContact OH-O 3.35Å; P282-M286 WeakPolarHBondContact O-CB 3.42Å; P282-M286 PolarHBondContact O-N 2.88Å; I283-M286 PolarHBondContact O-N 3.32Å; M286-K288 VanDerWaalsContact C-N 3.35Å; M286-K288 PolarHBondContact O-N 2.67Å; M286-G289 PolarHBondContact O-N 3.07Å
287	L	83.2	Confident	73.8	Confident	8 Å²	8	89.2 Å²	89.2	4%	0.042	45%	0.447	C	S	.	.	H	α-helix	trans	-69.1	-29.7	179.6	-69.6	173.2	0	0	0	113.3	W229 Y232 T258 L261 F262 I283 R284	W229-L287 HydrophobicContact CH2-CD2 3.55Å; W229-L287 HydrophobicContact CH2-CG 4.2Å; W229-L287 HydrophobicContact CZ2-CD2 4.33Å; W229-L287 HydrophobicContact CZ3-CD2 4.04Å; Y232-L287 HydrophobicContact CD2-CD2 4.11Å; Y232-L287 HydrophobicContact CE2-CD2 3.8Å; Y232-L287 PolarHBondContact OH-O 3.15Å; T258-L287 HydrophobicContact CG2-CB 3.85Å; T258-L287 HydrophobicContact CG2-CD1 4.17Å; T258-L287 HydrophobicContact CG2-CD2 4.22Å; T258-L287 HydrophobicContact CG2-CG 4.29Å; L261-L287 HydrophobicContact CB-CD1 4.33Å; L261-L287 HydrophobicContact CB-CD2 4.28Å; L261-L287 HydrophobicContact CD1-CD2 3.89Å; F262-L287 HydrophobicContact CB-CD1 4.09Å; I283-L287 HydrophobicContact CG2-CD1 3.8Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.48Å; I283-L287 VanDerWaalsContact O-CG 3.32Å; I283-L287 WeakPolarHBondContact O-CG 3.18Å; I283-L287 PolarHBondContact O-N 3.33Å; R284-L287 PolarHBondContact O-N 3.31Å
288	K	78.1	Confident	73.3	Confident	141 Å²	141	89.1 Å²	89.1	61%	0.613	45%	0.449	S	S	*	.	H	α-helix	trans	-83.3	-18.9	174	-70.9	-175.6	178.6	-165	0	113.7	R284 A285 M286 T290	R284-K288 WeakPolarHBondContact O-CB 3.45Å; R284-K288 VanDerWaalsContact O-CG 3.29Å; R284-K288 WeakPolarHBondContact O-CG 3.39Å; R284-K288 PolarHBondContact O-N 3.45Å; A285-K288 PolarHBondContact O-N 3.32Å; M286-K288 VanDerWaalsContact C-N 3.35Å; M286-K288 PolarHBondContact O-N 2.67Å; K288-T290 CarbonylContact O-C 3.57Å; K288-T290 PolarHBondContact O-N 3.49Å; K288-T290 VanDerWaalsContact O-N 3.07Å
289	G	68.4	Low	72.8	Confident	58 Å²	58	82.3 Å²	82.3	60%	0.598	43%	0.43	S	S	*	.			trans	-59.9	-22.5	-174.9	0	0	0	0	0	113.7	A285 M286 K291	A285-G289 PolarHBondContact O-N 3.18Å; M286-G289 PolarHBondContact O-N 3.07Å; G289-K291 PolarHBondContact O-N 3.23Å
290	T	64.5	Low	72.2	Confident	24 Å²	24	81.1 Å²	81.1	15%	0.147	43%	0.427	C	S	.	.			trans	-81.9	93	170.3	58.9	0	0	0	0	108.6	Y232 V236 K288 I292	Y232-T290 HydrophobicContact CE1-CG2 4.06Å; Y232-T290 WeakPolarHBondContact OH-CG2 3.23Å; Y232-T290 PolarHBondContact OH-OG1 3.38Å; Y232-T290 VanDerWaalsContact OH-OG1 3.11Å; V236-T290 HydrophobicContact CB-CG2 4.43Å; V236-T290 HydrophobicContact CG1-CG2 3.96Å; V236-T290 HydrophobicContact CG2-CG2 3.52Å; K288-T290 CarbonylContact O-C 3.57Å; K288-T290 PolarHBondContact O-N 3.49Å; K288-T290 VanDerWaalsContact O-N 3.07Å; T290-I292 PolarHBondContact O-N 3.22Å
291	K	61.2	Low	71.3	Confident	181 Å²	181	86.5 Å²	86.5	79%	0.787	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	14	172.6	-62.8	-175.7	176.6	-177.3	0	115.2	G289	G289-K291 PolarHBondContact O-N 3.23Å
292	I	60.8	Low	70.2	Confident	34 Å²	34	79.4 Å²	79.4	17%	0.174	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.7	-175.5	-56.8	175.7	0	0	0	111.1	V236 I239 L254 T290	V236-I292 HydrophobicContact CB-CD1 4.43Å; V236-I292 HydrophobicContact CG1-CD1 3.95Å; I239-I292 HydrophobicContact CB-CG2 3.96Å; I239-I292 HydrophobicContact CD1-CG2 3.58Å; I239-I292 HydrophobicContact CG1-CG2 4.32Å; I239-I292 HydrophobicContact CG2-CG2 3.42Å; I239-I292 VanDerWaalsContact CG2-CG2 3.42Å; L254-I292 HydrophobicContact CD2-CB 4.42Å; L254-I292 HydrophobicContact CD2-CG2 4.28Å; T290-I292 PolarHBondContact O-N 3.22Å
293	V	54	Low	69	Low	39 Å²	39	79.4 Å²	79.4	24%	0.236	43%	0.432	C	S	.	.	S	Bend	trans	-89.8	-19.1	-176.7	-168.7	0	0	0	0	112.7	L254 R255	L254-V293 HydrophobicContact CD2-CG2 3.64Å; L254-V293 HydrophobicContact CG-CG2 4Å; R255-V293 HydrophobicContact CG-CG1 3.54Å; R255-V293 PolarHBondContact NH2-O 3.15Å
294	E	47.8	Very low	67.7	Low	157 Å²	157	84.2 Å²	84.2	73%	0.734	46%	0.458	S	S	*	.			trans	-91.2	9.2	-175.3	-64.9	-176.4	163.7	0	0	114.5
295	S	40	Very low	66.2	Low	119 Å²	119	83.8 Å²	83.8	83%	0.832	47%	0.47	S	S	*	.			trans	-118.9	0	173.5	66.4	0	0	0	0	111.9

Retrieved 295 of 295 residues in 336.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).