A0A061I6E3_CRIGR Loading...

Interleukin family protein

Immune regulatory cytokine.

AlphaFold DB , UniProt , Accession A0A061I6E3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Il20, Length 176 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	41.5	Very low	43.4	Very low	236 Å²	236	153.3 Å²	153.3	100%	1.163	84%	0.844	S	S	*	*				0	143.7	0	-84.2	164.8	65.3	0	0	109.3
2	K	34.4	Very low	44.1	Very low	203 Å²	203	148.3 Å²	148.3	88%	0.883	83%	0.828	S	S	*	*			trans	87.2	92.8	178.9	-60.1	178.7	176.8	174.5	0	114.3
3	G	40.6	Very low	45	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	83%	0.834	S	S	*	*			trans	-72.9	164	165.7	0	0	0	0	0	111.7
4	F	38.2	Very low	45.9	Very low	204 Å²	204	146.9 Å²	146.9	90%	0.895	83%	0.83	S	S	*	*			trans	-138.2	104.9	162.7	-116.2	-92.6	0	0	0	106.6	F6	F4-F6 PolarHBondContact O-N 3.12Å
5	G	42.8	Very low	46.8	Very low	77 Å²	77	140.9 Å²	140.9	79%	0.794	81%	0.814	S	S	*	*			trans	-70	121.7	172.9	0	0	0	0	0	109.3	A7	G5-A7 PolarHBondContact O-N 3.12Å
6	F	41.4	Very low	47.3	Very low	178 Å²	178	144 Å²	144	78%	0.781	82%	0.815	S	S	*	*			trans	-89.5	85.5	168.1	-122.9	-92.5	0	0	0	107.7	F4 F8	F4-F6 PolarHBondContact O-N 3.12Å; F6-F8 HydrophobicContact CD1-CE2 4.33Å; F6-F8 PolarHBondContact O-N 2.82Å
7	A	45.3	Very low	47.6	Very low	95 Å²	95	145.4 Å²	145.4	79%	0.785	82%	0.819	S	S	*	*			trans	-75.1	106	164.4	0	0	0	0	0	107.2	G5 G9	G5-A7 PolarHBondContact O-N 3.12Å; A7-G9 PolarHBondContact O-N 3.4Å; A7-G9 VanDerWaalsContact O-N 3.14Å
8	F	45.9	Very low	48.1	Very low	181 Å²	181	146.2 Å²	146.2	79%	0.794	82%	0.82	S	S	*	*			trans	-60.9	114.6	171.5	-90.2	-92.8	0	0	0	108.9	F6 L10	F6-F8 HydrophobicContact CD1-CE2 4.33Å; F6-F8 PolarHBondContact O-N 2.82Å; F8-L10 PolarHBondContact O-N 3.07Å
9	G	43.6	Very low	48.1	Very low	62 Å²	62	150.7 Å²	150.7	64%	0.639	82%	0.823	S	S	*	*			trans	-63.8	111.3	175.3	0	0	0	0	0	110.7	A7 F11	A7-G9 PolarHBondContact O-N 3.4Å; A7-G9 VanDerWaalsContact O-N 3.14Å; G9-F11 VanDerWaalsContact C-N 3.34Å; G9-F11 PolarHBondContact O-N 3.45Å
10	L	49.4	Very low	48.2	Very low	177 Å²	177	148.9 Å²	148.9	93%	0.927	82%	0.817	S	S	*	*			trans	-74.5	94.1	157.4	-75	163	0	0	0	106.6	F8 S12	F8-L10 PolarHBondContact O-N 3.07Å; L10-S12 PolarHBondContact O-N 3.06Å
11	F	54	Low	48.4	Very low	201 Å²	201	146.7 Å²	146.7	88%	0.882	81%	0.809	S	S	*	*			trans	-63.4	121.5	170.8	-92.2	-86.8	0	0	0	109.3	G9 V13	G9-F11 VanDerWaalsContact C-N 3.34Å; G9-F11 PolarHBondContact O-N 3.45Å; F11-V13 PolarHBondContact O-N 3Å
12	S	52.5	Low	49	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	79%	0.786	S	S	*	*			trans	-44.3	116	175	-172.1	0	0	0	0	112.9	L10 V14	L10-S12 PolarHBondContact O-N 3.06Å; S12-V14 PolarHBondContact OG-N 2.94Å
13	V	54.8	Low	50.4	Low	149 Å²	149	137.4 Å²	137.4	90%	0.903	78%	0.778	S	S	*	*			trans	-101.2	72.7	155.3	-174.5	0	0	0	0	106.6	F11	F11-V13 PolarHBondContact O-N 3Å
14	V	58.2	Low	51.8	Low	129 Å²	129	134.7 Å²	134.7	78%	0.782	75%	0.75	S	S	*	*			trans	-126	114.9	169.5	-179.9	0	0	0	0	107.4	S12	S12-V14 PolarHBondContact OG-N 2.94Å
15	G	59.1	Low	54.2	Low	57 Å²	57	128.6 Å²	128.6	59%	0.588	73%	0.727	S	S	*	*	S	Bend	trans	132	47.3	155	0	0	0	0	0	118.1
16	F	54.2	Low	56.7	Low	190 Å²	190	126.8 Å²	126.8	83%	0.833	70%	0.697	S	S	*	*	S	Bend	trans	-141	32.5	159	-81.3	-70.5	0	0	0	113.5
17	L	53.6	Low	59.3	Low	168 Å²	168	121.1 Å²	121.1	88%	0.88	68%	0.678	S	S	*	*	S	Bend	trans	-114.4	23.1	178.1	-70.9	-179.8	0	0	0	114.8
18	L	55.2	Low	61.7	Low	160 Å²	160	116.6 Å²	116.6	84%	0.838	64%	0.64	S	S	*	*			trans	-135.3	45.4	176.2	-73.1	167.9	0	0	0	112.6
19	W	49.8	Very low	64.1	Low	231 Å²	231	112.5 Å²	112.5	88%	0.875	62%	0.623	S	S	*	*			trans	-121.6	68.4	150.1	-69	-26.4	0	0	0	107.7	P21	W19-P21 VanDerWaalsContact O-CD 3.28Å; W19-P21 WeakPolarHBondContact O-CD 3.44Å
20	T	48.9	Very low	66.6	Low	115 Å²	115	109.6 Å²	109.6	71%	0.706	59%	0.593	S	S	*	*			trans	-68.6	116.6	148.6	45.7	0	0	0	0	104.9	L22	T20-L22 PolarHBondContact O-N 3.3Å
21	P	53	Low	68.7	Low	102 Å²	102	102.6 Å²	102.6	66%	0.662	56%	0.564	S	S	*	*			trans	-52.1	133.1	163.6	-10.6	22.2	0	0	0	105.7	W19 T23	W19-P21 VanDerWaalsContact O-CD 3.28Å; W19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-T23 PolarHBondContact O-N 3.38Å
22	L	53.8	Low	70.7	Confident	127 Å²	127	97.8 Å²	97.8	67%	0.665	56%	0.555	S	S	*	*			trans	-65.5	88.7	169.8	-153.4	77.1	0	0	0	105.7	T20 G24 L25	T20-L22 PolarHBondContact O-N 3.3Å; L22-G24 PolarHBondContact O-N 3.12Å; L22-G24 VanDerWaalsContact O-N 3.15Å; L22-L25 HydrophobicContact CD2-CB 4.4Å; L22-L25 HydrophobicContact CD2-CD2 4.35Å; L22-L25 PolarHBondContact O-N 2.84Å
23	T	63.8	Low	72.8	Confident	118 Å²	118	93.4 Å²	93.4	72%	0.724	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	120.6	-173	41.4	0	0	0	0	107.8	P21	P21-T23 PolarHBondContact O-N 3.38Å
24	G	70.8	Confident	74.8	Confident	15 Å²	15	90 Å²	90	16%	0.155	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	5	178.5	0	0	0	0	0	116.3	L22 Q26 N38	L22-G24 PolarHBondContact O-N 3.12Å; L22-G24 VanDerWaalsContact O-N 3.15Å; G24-Q26 PolarHBondContact O-NE2 3.37Å; G24-Q26 PolarHBondContact O-OE1 3.15Å; G24-N38 WeakPolarHBondContact O-CA 3.38Å; G24-N38 PolarHBondContact O-OD1 3.36Å
25	L	88.3	Confident	76.7	Confident	76 Å²	76	84.3 Å²	84.3	40%	0.398	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-80.2	117.2	168.5	-166.4	71.4	0	0	0	110.3	L22 T36 N38	L22-L25 HydrophobicContact CD2-CB 4.4Å; L22-L25 HydrophobicContact CD2-CD2 4.35Å; L22-L25 PolarHBondContact O-N 2.84Å; L25-T36 HydrophobicContact CD2-CG2 4.05Å; L25-T36 HydrophobicContact CG-CG2 4.34Å; L25-N38 HydrophobicContact CD1-CB 4.49Å
26	Q	94.3	Very high	78.4	Confident	38 Å²	38	84.3 Å²	84.3	18%	0.178	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.1	174.9	-58.7	90.1	1.7	0	0	111.4	G24 T36 A37 I176	G24-Q26 PolarHBondContact O-NE2 3.37Å; G24-Q26 PolarHBondContact O-OE1 3.15Å; Q26-T36 CarbonylContact O-C 3.56Å; Q26-T36 VanDerWaalsContact O-CA 3.28Å; Q26-T36 WeakPolarHBondContact O-CA 3.3Å; Q26-A37 PolarHBondContact N-O 3.35Å; Q26-A37 PolarHBondContact O-N 3.05Å; Q26-A37 PolarHBondContact OE1-O 3.41Å; Q26-I176 HydrophobicContact CB-CD1 3.83Å; Q26-I176 HydrophobicContact CB-CG1 3.98Å; Q26-I176 HydrophobicContact CG-CD1 3.72Å; Q26-I176 HydrophobicContact CG-CG1 4.42Å
27	T	96	Very high	80.4	Confident	60 Å²	60	75.5 Å²	75.5	37%	0.368	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.4	173.4	-60.7	0	0	0	0	108.9	V34 I35 I176	T27-V34 HydrophobicContact CG2-CG1 3.34Å; T27-I35 CarbonylContact C-O 3.56Å; T27-I35 WeakPolarHBondContact CA-O 3.41Å; T27-I176 WeakPolarHBondContact O-CA 3.37Å
28	L	96	Very high	82.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.5	179.7	-52.4	-179	0	0	0	110.4	L30 V34 I35 A37 L39 M172 M175 I176	L28-L30 HydrophobicContact CB-CG 4.41Å; L28-V34 WeakPolarHBondContact O-CA 3.31Å; L28-I35 HydrophobicContact CB-CG1 3.91Å; L28-I35 HydrophobicContact CD1-CD1 4.19Å; L28-I35 HydrophobicContact CD1-CG1 4.21Å; L28-I35 HydrophobicContact CG-CG1 4.37Å; L28-I35 PolarHBondContact N-O 3.27Å; L28-I35 PolarHBondContact O-N 2.89Å; L28-A37 HydrophobicContact CD1-CB 4.05Å; L28-L39 HydrophobicContact CD2-CD1 4Å; L28-M172 HydrophobicContact CD1-CB 4.37Å; L28-M172 HydrophobicContact CD1-CE 3.65Å; L28-M172 WeakPolarHBondContact CD2-O 3.3Å; L28-M175 WeakPolarHBondContact CA-O 3.28Å; L28-I176 HydrophobicContact CD2-CG1 3.71Å
29	H	95.9	Very high	84.3	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.435	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	97.9	179.9	-68.6	-89	0	0	0	111.3	M175 I176	H29-M175 PolarHBondContact N-O 3.14Å; H29-I176 PolarHBondContact CD2-O 3.45Å
30	L	96.3	Very high	86.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	52.7	-173.6	-56.3	171	0	0	0	111.2	L28 C33 I35 R79 C80 L83 L123 M175	L28-L30 HydrophobicContact CB-CG 4.41Å; L30-C33 CarbonylContact C-O 3.56Å; L30-C33 WeakPolarHBondContact CA-O 3.16Å; L30-C33 HydrophobicContact CB-CB 4.22Å; L30-C33 PolarHBondContact N-O 3.17Å; L30-I35 HydrophobicContact CD1-CD1 3.87Å; L30-I35 HydrophobicContact CD1-CG1 4Å; L30-R79 HydrophobicContact CB-CB 4.36Å; L30-R79 HydrophobicContact CD2-CB 4.28Å; L30-C80 HydrophobicContact CB-CB 3.89Å; L30-C80 WeakPolarHBondContact O-CB 3.43Å; L30-L83 HydrophobicContact CD1-CD2 3.64Å; L30-L83 HydrophobicContact CD2-CD2 3.88Å; L30-L83 HydrophobicContact CG-CD2 4.42Å; L30-L123 HydrophobicContact CD1-CD2 3.53Å; L30-M175 HydrophobicContact CD2-CB 4.28Å; L30-M175 HydrophobicContact CD2-CG 4.14Å
31	G	93.4	Very high	88.6	Confident	31 Å²	31	53.1 Å²	53.1	32%	0.32	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-123.3	-170.3	0	0	0	0	0	110.8	C33 H76	G31-C33 VanDerWaalsContact C-N 3.27Å; G31-H76 WeakPolarHBondContact CA-O 3.43Å; G31-H76 PolarHBondContact N-O 3.05Å
32	S	95.7	Very high	90.8	Very high	99 Å²	99	48.4 Å²	48.4	69%	0.692	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.1	175.5	-54.9	0	0	0	0	113.7
33	C	97.7	Very high	92.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.7	174.2	173.8	0	0	0	0	110.1	L30 G31 C80 C126 V131	L30-C33 CarbonylContact C-O 3.56Å; L30-C33 WeakPolarHBondContact CA-O 3.16Å; L30-C33 HydrophobicContact CB-CB 4.22Å; L30-C33 PolarHBondContact N-O 3.17Å; G31-C33 VanDerWaalsContact C-N 3.27Å; C33-C80 HydrophobicContact CB-CB 3.93Å; C33-C80 VanDerWaalsContact SG-SG 3.66Å; C33-C126 HydrophobicContact CB-CB 3.66Å; C33-C126 WeakPolarHBondContact CB-SG 3.34Å; C33-C126 WeakPolarHBondContact SG-CB 3.46Å; C33-C126 CovalentContact SG-SG 2.03Å; C33-C126 PolarHBondContact SG-SG 2.92Å; C33-V131 HydrophobicContact CB-CG2 4.35Å; C33-V131 PolarHBondContact N-O 3.03Å
34	V	97.3	Very high	94.3	Very high	79 Å²	79	46.6 Å²	46.6	48%	0.479	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.7	173.8	-177.7	0	0	0	0	107.9	T27 L28	T27-V34 HydrophobicContact CG2-CG1 3.34Å; L28-V34 WeakPolarHBondContact O-CA 3.31Å
35	I	97.4	Very high	95.5	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	166	179.1	66.6	170.9	0	0	0	110.1	T27 L28 L30 I119 D122 L123	T27-I35 CarbonylContact C-O 3.56Å; T27-I35 WeakPolarHBondContact CA-O 3.41Å; L28-I35 HydrophobicContact CB-CG1 3.91Å; L28-I35 HydrophobicContact CD1-CD1 4.19Å; L28-I35 HydrophobicContact CD1-CG1 4.21Å; L28-I35 HydrophobicContact CG-CG1 4.37Å; L28-I35 PolarHBondContact N-O 3.27Å; L28-I35 PolarHBondContact O-N 2.89Å; L30-I35 HydrophobicContact CD1-CD1 3.87Å; L30-I35 HydrophobicContact CD1-CG1 4Å; I35-I119 HydrophobicContact CD1-CG2 3.98Å; I35-D122 HydrophobicContact CB-CB 4.01Å; I35-D122 HydrophobicContact CG2-CB 3.69Å; I35-L123 HydrophobicContact CD1-CD2 3.93Å; I35-L123 HydrophobicContact CD1-CG 4.07Å; I35-L123 HydrophobicContact CG2-CD2 4.45Å
36	T	95.9	Very high	96	Very high	58 Å²	58	44.5 Å²	44.5	36%	0.356	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.9	173.4	53.9	0	0	0	0	110.1	L25 Q26	L25-T36 HydrophobicContact CD2-CG2 4.05Å; L25-T36 HydrophobicContact CG-CG2 4.34Å; Q26-T36 CarbonylContact O-C 3.56Å; Q26-T36 VanDerWaalsContact O-CA 3.28Å; Q26-T36 WeakPolarHBondContact O-CA 3.3Å
37	A	95.4	Very high	96.2	Very high	4 Å²	4	46 Å²	46	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.3	177.6	0	0	0	0	0	110.1	Q26 L28 L39 I119	Q26-A37 PolarHBondContact N-O 3.35Å; Q26-A37 PolarHBondContact O-N 3.05Å; Q26-A37 PolarHBondContact OE1-O 3.41Å; L28-A37 HydrophobicContact CD1-CB 4.05Å; A37-L39 HydrophobicContact CB-CD2 3.88Å; A37-L39 HydrophobicContact CB-CG 4.28Å; A37-L39 PolarHBondContact O-N 3.02Å; A37-I119 HydrophobicContact CB-CD1 4.23Å; A37-I119 HydrophobicContact CB-CG1 4.03Å
38	N	95.3	Very high	96.3	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	26%	0.264	S	S	.	.			trans	-93.2	71.6	173.3	-168.8	-21.1	0	0	0	109.5	G24 L25 Q40 A41 I42	G24-N38 WeakPolarHBondContact O-CA 3.38Å; G24-N38 PolarHBondContact O-OD1 3.36Å; L25-N38 HydrophobicContact CD1-CB 4.49Å; N38-Q40 PolarHBondContact O-N 3.3Å; N38-A41 HydrophobicContact CB-CB 4.16Å; N38-A41 PolarHBondContact O-N 3.17Å; N38-A41 WeakPolarHBondContact OD1-CB 3.42Å; N38-A41 PolarHBondContact OD1-N 2.89Å; N38-I42 WeakPolarHBondContact O-CG1 3.26Å; N38-I42 PolarHBondContact O-N 3.29Å; N38-I42 VanDerWaalsContact O-N 3.15Å
39	L	95.6	Very high	96.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-34.1	-177.3	-60.1	-173.4	0	0	0	111.5	L28 A37 A41 I42 Q43 L169 M172 E173 I176	L28-L39 HydrophobicContact CD2-CD1 4Å; A37-L39 HydrophobicContact CB-CD2 3.88Å; A37-L39 HydrophobicContact CB-CG 4.28Å; A37-L39 PolarHBondContact O-N 3.02Å; L39-A41 PolarHBondContact O-N 3.24Å; L39-I42 HydrophobicContact CD2-CD1 4.39Å; L39-I42 PolarHBondContact O-N 3.06Å; L39-Q43 WeakPolarHBondContact O-CB 3.44Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 3.26Å; L39-L169 HydrophobicContact CD2-CD2 4.5Å; L39-M172 HydrophobicContact CD1-CB 3.88Å; L39-M172 HydrophobicContact CD2-CB 4.2Å; L39-M172 HydrophobicContact CD2-CE 3.59Å; L39-M172 HydrophobicContact CD2-SD 4.13Å; L39-E173 HydrophobicContact CD1-CG 3.79Å; L39-I176 HydrophobicContact CD1-CD1 4.43Å
40	Q	94.9	Very high	96.4	Very high	113 Å²	113	45 Å²	45	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-42.9	178.4	-172.3	180	11.5	0	0	111.8	N38 K44	N38-Q40 PolarHBondContact O-N 3.3Å; Q40-K44 WeakPolarHBondContact O-CB 3.37Å; Q40-K44 PolarHBondContact O-N 3.41Å
41	A	94.8	Very high	96.4	Very high	35 Å²	35	51 Å²	51	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-42.2	175	0	0	0	0	0	111.4	N38 L39 K44 E45	N38-A41 HydrophobicContact CB-CB 4.16Å; N38-A41 PolarHBondContact O-N 3.17Å; N38-A41 WeakPolarHBondContact OD1-CB 3.42Å; N38-A41 PolarHBondContact OD1-N 2.89Å; L39-A41 PolarHBondContact O-N 3.24Å; A41-K44 PolarHBondContact O-N 3.43Å; A41-E45 WeakPolarHBondContact O-CG 3.36Å; A41-E45 PolarHBondContact O-N 3.04Å
42	I	97.4	Very high	96.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-45.2	179	-61.8	168.6	0	0	0	110.8	N38 L39 K44 E45 F46 L112 F116 I119 L169	N38-I42 WeakPolarHBondContact O-CG1 3.26Å; N38-I42 PolarHBondContact O-N 3.29Å; N38-I42 VanDerWaalsContact O-N 3.15Å; L39-I42 HydrophobicContact CD2-CD1 4.39Å; L39-I42 PolarHBondContact O-N 3.06Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 2.83Å; I42-E45 PolarHBondContact O-N 3.02Å; I42-F46 WeakPolarHBondContact O-CB 3.29Å; I42-F46 PolarHBondContact O-N 2.85Å; I42-L112 HydrophobicContact CG2-CD2 3.78Å; I42-L112 WeakPolarHBondContact O-CD2 3.42Å; I42-F116 HydrophobicContact CG2-CE2 4.15Å; I42-I119 HydrophobicContact CD1-CD1 3.85Å; I42-L169 HydrophobicContact CB-CD2 4.32Å; I42-L169 HydrophobicContact CG2-CD1 3.98Å; I42-L169 HydrophobicContact CG2-CD2 3.63Å; I42-L169 HydrophobicContact CG2-CG 4.45Å
43	Q	97	Very high	96.6	Very high	61 Å²	61	48 Å²	48	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-43.4	176.4	-76.1	174	-27	0	0	112	L39 F46 S47 L169 E173	L39-Q43 WeakPolarHBondContact O-CB 3.44Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 3.26Å; Q43-F46 PolarHBondContact O-N 2.83Å; Q43-S47 WeakPolarHBondContact O-CB 3.44Å; Q43-S47 PolarHBondContact O-N 3.2Å; Q43-L169 HydrophobicContact CG-CB 4.38Å; Q43-L169 HydrophobicContact CG-CD1 3.82Å; Q43-E173 PolarHBondContact NE2-OE1 3.35Å; Q43-E173 PolarHBondContact NE2-OE2 3.35Å; Q43-E173 PolarHBondContact OE1-OE1 3.39Å
44	K	96	Very high	96.6	Very high	145 Å²	145	52.8 Å²	52.8	63%	0.63	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-48.5	176.5	-174.5	-177	176.9	-177.4	0	110.8	Q40 A41 I42 F46 S47	Q40-K44 WeakPolarHBondContact O-CB 3.37Å; Q40-K44 PolarHBondContact O-N 3.41Å; A41-K44 PolarHBondContact O-N 3.43Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 2.83Å; K44-F46 VanDerWaalsContact C-N 3.33Å; K44-F46 PolarHBondContact O-N 2.93Å; K44-S47 PolarHBondContact O-N 2.69Å; K44-S47 PolarHBondContact O-OG 3.24Å
45	E	96.1	Very high	96.5	Very high	40 Å²	40	53.1 Å²	53.1	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-41.9	177	-73.8	-176.7	165.6	0	0	112.4	A41 I42 E48 S111 L112	A41-E45 WeakPolarHBondContact O-CG 3.36Å; A41-E45 PolarHBondContact O-N 3.04Å; I42-E45 PolarHBondContact O-N 3.02Å; E45-E48 PolarHBondContact O-N 3.01Å; E45-S111 PolarHBondContact OE1-OG 3.4Å; E45-S111 WeakPolarHBondContact OE2-CB 3.31Å; E45-S111 PolarHBondContact OE2-OG 2.66Å; E45-L112 HydrophobicContact CB-CD2 3.83Å; E45-L112 HydrophobicContact CB-CG 4.4Å
46	F	98.1	Very high	96.4	Very high	7 Å²	7	56 Å²	56	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-68.9	-37.8	180	179.1	-125.3	0	0	0	112.4	I42 Q43 K44 E48 I49 L50 L112 L162 L165 G166 L169	I42-F46 WeakPolarHBondContact O-CB 3.29Å; I42-F46 PolarHBondContact O-N 2.85Å; Q43-F46 PolarHBondContact O-N 2.83Å; K44-F46 VanDerWaalsContact C-N 3.33Å; K44-F46 PolarHBondContact O-N 2.93Å; F46-E48 PolarHBondContact O-N 3.35Å; F46-E48 VanDerWaalsContact O-N 3.12Å; F46-I49 HydrophobicContact CD2-CD1 4.41Å; F46-I49 HydrophobicContact CD2-CG1 4.08Å; F46-I49 WeakPolarHBondContact O-CG1 3.19Å; F46-I49 PolarHBondContact O-N 3.44Å; F46-L50 HydrophobicContact CE1-CB 4.43Å; F46-L50 HydrophobicContact CE1-CD1 3.59Å; F46-L50 HydrophobicContact CE1-CG 4.44Å; F46-L50 HydrophobicContact CE2-CD1 4.36Å; F46-L50 HydrophobicContact CZ-CB 4.39Å; F46-L50 HydrophobicContact CZ-CD1 3.46Å; F46-L50 VanDerWaalsContact CZ-CD1 3.46Å; F46-L50 HydrophobicContact CZ-CG 4.5Å; F46-L50 PolarHBondContact O-N 2.9Å; F46-L112 HydrophobicContact CB-CD1 4.33Å; F46-L112 HydrophobicContact CB-CD2 4.02Å; F46-L112 HydrophobicContact CD2-CD1 4.15Å; F46-L162 VanDerWaalsContact CE2-O 3.3Å; F46-L162 WeakPolarHBondContact CE2-O 3.44Å; F46-L162 WeakPolarHBondContact CZ-O 3.28Å; F46-L165 HydrophobicContact CB-CD2 4.42Å; F46-L165 HydrophobicContact CD1-CB 4.5Å; F46-L165 HydrophobicContact CD2-CB 4.3Å; F46-L165 HydrophobicContact CD2-CD2 3.76Å; F46-L165 HydrophobicContact CD2-CG 4.38Å; F46-L165 HydrophobicContact CE1-CB 4.08Å; F46-L165 HydrophobicContact CE2-CB 3.87Å; F46-L165 HydrophobicContact CE2-CD2 4.14Å; F46-L165 HydrophobicContact CE2-CG 4.45Å; F46-L165 HydrophobicContact CG-CD2 4.01Å; F46-L165 HydrophobicContact CG-CG 4.41Å; F46-L165 HydrophobicContact CZ-CB 3.75Å; F46-G166 VanDerWaalsContact CE1-N 3.27Å; F46-L169 HydrophobicContact CD1-CD1 4.32Å
47	S	97.8	Very high	96.4	Very high	71 Å²	71	54.9 Å²	54.9	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-24.9	178.8	71.1	0	0	0	0	113.4	Q43 K44 I49	Q43-S47 WeakPolarHBondContact O-CB 3.44Å; Q43-S47 PolarHBondContact O-N 3.2Å; K44-S47 PolarHBondContact O-N 2.69Å; K44-S47 PolarHBondContact O-OG 3.24Å; S47-I49 VanDerWaalsContact C-N 3.25Å; S47-I49 PolarHBondContact O-N 3.49Å
48	E	97.7	Very high	96.4	Very high	87 Å²	87	63 Å²	63	41%	0.407	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19	177.4	-67	-179.2	-119.9	0	0	113.1	E45 F46 H104 K108	E45-E48 PolarHBondContact O-N 3.01Å; F46-E48 PolarHBondContact O-N 3.35Å; F46-E48 VanDerWaalsContact O-N 3.12Å; E48-H104 IonicContact OE2-CE1 2.89Å; E48-K108 VanDerWaalsContact CD-CE 3.48Å; E48-K108 IonicContact OE1-NZ 2.69Å; E48-K108 PolarHBondContact OE1-NZ 2.92Å; E48-K108 WeakPolarHBondContact OE2-CE 3.41Å; E48-K108 IonicContact OE2-NZ 2.68Å; E48-K108 PolarHBondContact OE2-NZ 2.93Å
49	I	97.5	Very high	96.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-7.7	-178.8	66.3	170.1	0	0	0	113.8	F46 S47 D51 T52 V53 I105 K108 L112	F46-I49 HydrophobicContact CD2-CD1 4.41Å; F46-I49 HydrophobicContact CD2-CG1 4.08Å; F46-I49 WeakPolarHBondContact O-CG1 3.19Å; F46-I49 PolarHBondContact O-N 3.44Å; S47-I49 VanDerWaalsContact C-N 3.25Å; S47-I49 PolarHBondContact O-N 3.49Å; I49-D51 PolarHBondContact O-N 3.22Å; I49-T52 PolarHBondContact O-N 3.41Å; I49-V53 HydrophobicContact CB-CG2 4.31Å; I49-V53 HydrophobicContact CD1-CG2 4.28Å; I49-V53 HydrophobicContact CG1-CG2 4.35Å; I49-V53 VanDerWaalsContact O-CG2 3.31Å; I49-V53 WeakPolarHBondContact O-CG2 3.34Å; I49-V53 PolarHBondContact O-N 3.28Å; I49-I105 HydrophobicContact CB-CG2 4.27Å; I49-I105 HydrophobicContact CD1-CG2 4.36Å; I49-I105 HydrophobicContact CG2-CB 4.33Å; I49-I105 HydrophobicContact CG2-CG1 4.18Å; I49-I105 HydrophobicContact CG2-CG2 4.09Å; I49-K108 HydrophobicContact CD1-CB 4.29Å; I49-K108 HydrophobicContact CG2-CB 3.58Å; I49-K108 HydrophobicContact CG2-CG 3.82Å; I49-L112 HydrophobicContact CD1-CD1 3.83Å
50	L	96.8	Very high	96	Very high	45 Å²	45	69.1 Å²	69.1	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-53.3	-56.5	-173	171.5	62.6	0	0	0	112.3	F46 T52 V53 Q54	F46-L50 HydrophobicContact CE1-CB 4.43Å; F46-L50 HydrophobicContact CE1-CD1 3.59Å; F46-L50 HydrophobicContact CE1-CG 4.44Å; F46-L50 HydrophobicContact CE2-CD1 4.36Å; F46-L50 HydrophobicContact CZ-CB 4.39Å; F46-L50 HydrophobicContact CZ-CD1 3.46Å; F46-L50 VanDerWaalsContact CZ-CD1 3.46Å; F46-L50 HydrophobicContact CZ-CG 4.5Å; F46-L50 PolarHBondContact O-N 2.9Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.45Å; L50-V53 PolarHBondContact O-N 3.46Å; L50-Q54 VanDerWaalsContact CD1-CD 3.42Å; L50-Q54 HydrophobicContact CD1-CG 3.84Å; L50-Q54 WeakPolarHBondContact O-CB 3.47Å; L50-Q54 WeakPolarHBondContact O-CG 3.21Å; L50-Q54 PolarHBondContact O-N 2.88Å
51	D	97	Very high	95.9	Very high	126 Å²	126	71.3 Å²	71.3	67%	0.674	38%	0.38	S	S	*	.	H	α-helix	trans	-62.9	-39.4	-173.8	-64.8	-15.4	0	0	0	111.2	I49 A55	I49-D51 PolarHBondContact O-N 3.22Å; D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.26Å; D51-A55 PolarHBondContact O-N 2.97Å
52	T	96.7	Very high	95.8	Very high	67 Å²	67	71.6 Å²	71.6	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-48	177.7	-50	0	0	0	0	111.7	I49 L50 Q54 A55 E56 I105	I49-T52 PolarHBondContact O-N 3.41Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.45Å; T52-Q54 VanDerWaalsContact C-N 3.33Å; T52-Q54 PolarHBondContact O-N 3.28Å; T52-A55 PolarHBondContact O-N 2.88Å; T52-E56 PolarHBondContact O-N 3.26Å; T52-I105 HydrophobicContact CG2-CD1 3.55Å
53	V	96.9	Very high	95.7	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-39.1	179.9	173.7	0	0	0	0	111	I49 L50 A55 E56 Y98 I105 L162	I49-V53 HydrophobicContact CB-CG2 4.31Å; I49-V53 HydrophobicContact CD1-CG2 4.28Å; I49-V53 HydrophobicContact CG1-CG2 4.35Å; I49-V53 VanDerWaalsContact O-CG2 3.31Å; I49-V53 WeakPolarHBondContact O-CG2 3.34Å; I49-V53 PolarHBondContact O-N 3.28Å; L50-V53 PolarHBondContact O-N 3.46Å; V53-A55 VanDerWaalsContact C-N 3.35Å; V53-E56 PolarHBondContact O-N 2.7Å; V53-Y98 HydrophobicContact CG2-CE2 4.49Å; V53-I105 HydrophobicContact CG2-CG2 4.48Å; V53-L162 HydrophobicContact CG1-CB 3.98Å; V53-L162 HydrophobicContact CG1-CD2 4.04Å; V53-L162 HydrophobicContact CG1-CG 3.92Å; V53-L162 HydrophobicContact CG2-CD2 3.95Å; V53-L162 HydrophobicContact CG2-CG 4.4Å
54	Q	96.3	Very high	95.7	Very high	101 Å²	101	72.8 Å²	72.8	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-70.9	-30	177.2	-74.5	-170.9	-24.1	0	0	112.9	L50 T52 E56 D57 G163	L50-Q54 VanDerWaalsContact CD1-CD 3.42Å; L50-Q54 HydrophobicContact CD1-CG 3.84Å; L50-Q54 WeakPolarHBondContact O-CB 3.47Å; L50-Q54 WeakPolarHBondContact O-CG 3.21Å; L50-Q54 PolarHBondContact O-N 2.88Å; T52-Q54 VanDerWaalsContact C-N 3.33Å; T52-Q54 PolarHBondContact O-N 3.28Å; Q54-E56 PolarHBondContact O-N 3.32Å; Q54-D57 PolarHBondContact O-N 2.81Å; Q54-G163 PolarHBondContact NE2-O 3.48Å; Q54-G163 VanDerWaalsContact NE2-O 3.09Å
55	A	96.3	Very high	95.7	Very high	86 Å²	86	65.9 Å²	65.9	71%	0.711	35%	0.348	S	S	*	.	H	α-helix	trans	-68.4	-22.4	173.2	0	0	0	0	0	113.1	D51 T52 V53 D57	D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.26Å; D51-A55 PolarHBondContact O-N 2.97Å; T52-A55 PolarHBondContact O-N 2.88Å; V53-A55 VanDerWaalsContact C-N 3.35Å; A55-D57 VanDerWaalsContact C-N 3.35Å
56	E	95.5	Very high	95.6	Very high	69 Å²	69	68.7 Å²	68.7	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.9	173.6	-66.8	170.9	-174	0	0	113	T52 V53 Q54 E58 Y98 V159	T52-E56 PolarHBondContact O-N 3.26Å; V53-E56 PolarHBondContact O-N 2.7Å; Q54-E56 PolarHBondContact O-N 3.32Å; E56-E58 PolarHBondContact O-N 3.28Å; E56-Y98 PolarHBondContact OE1-OH 3.45Å; E56-Y98 PolarHBondContact OE2-OH 3.42Å; E56-V159 HydrophobicContact CB-CG1 3.62Å
57	D	95.6	Very high	95.1	Very high	35 Å²	35	72.5 Å²	72.5	19%	0.187	38%	0.381	C	S	.	.			trans	-85.1	101.7	-178.5	-177	9.6	0	0	0	111.9	Q54 A55 N59 V159 K160	Q54-D57 PolarHBondContact O-N 2.81Å; A55-D57 VanDerWaalsContact C-N 3.35Å; D57-N59 PolarHBondContact OD1-N 3.07Å; D57-V159 HydrophobicContact CB-CG1 4.26Å; D57-K160 WeakPolarHBondContact OD1-CE 3.47Å; D57-K160 IonicContact OD1-NZ 3.85Å; D57-K160 PolarHBondContact OD1-NZ 3.36Å; D57-K160 IonicContact OD2-NZ 3.71Å; D57-K160 PolarHBondContact OD2-NZ 3.28Å
58	E	94.4	Very high	94.5	Very high	174 Å²	174	73.3 Å²	73.3	81%	0.813	38%	0.383	S	S	*	.			trans	-82	-13.3	178.1	-60.1	-173.6	171.2	0	0	113.5	E56 I60	E56-E58 PolarHBondContact O-N 3.28Å; E58-I60 PolarHBondContact O-N 3.14Å
59	N	93.9	Very high	94	Very high	42 Å²	42	69.6 Å²	69.6	23%	0.225	37%	0.365	C	S	.	.			trans	-96	56.2	-169	-79.9	-73.5	0	0	0	112.8	D57 D61 I62 L152 E156 K160	D57-N59 PolarHBondContact OD1-N 3.07Å; N59-D61 PolarHBondContact O-N 2.83Å; N59-I62 PolarHBondContact O-N 3.05Å; N59-I62 VanDerWaalsContact O-N 3.14Å; N59-L152 HydrophobicContact CB-CD2 3.98Å; N59-E156 PolarHBondContact ND2-OE2 2.81Å; N59-K160 VanDerWaalsContact CB-CE 3.49Å; N59-K160 VanDerWaalsContact O-CE 3.29Å; N59-K160 WeakPolarHBondContact O-CE 3.43Å; N59-K160 PolarHBondContact O-NZ 3.12Å
60	I	89.8	Confident	93.4	Very high	143 Å²	143	69.9 Å²	69.9	73%	0.733	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.1	-170.7	62	173.5	0	0	0	115.4	E58 I62	E58-I60 PolarHBondContact O-N 3.14Å; I60-I62 VanDerWaalsContact C-N 3.34Å
61	D	92.1	Very high	92.7	Very high	158 Å²	158	67.7 Å²	67.7	85%	0.845	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.4	-177.7	-64	-37.2	0	0	0	113.3	N59	N59-D61 PolarHBondContact O-N 2.83Å
62	I	92.4	Very high	92	Very high	42 Å²	42	66.3 Å²	66.3	22%	0.215	35%	0.346	C	S	.	.			trans	-104.4	129.2	-178.7	-64.9	169.8	0	0	0	109	N59 I60 L152 K160	N59-I62 PolarHBondContact O-N 3.05Å; N59-I62 VanDerWaalsContact O-N 3.14Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I62-L152 HydrophobicContact CD1-CD2 3.53Å; I62-L152 HydrophobicContact CD1-CG 4.29Å; I62-L152 HydrophobicContact CG2-CD1 4.11Å; I62-L152 HydrophobicContact CG2-CD2 4.5Å; I62-L152 HydrophobicContact CG2-CG 4.34Å; I62-K160 HydrophobicContact CG2-CD 4.28Å; I62-K160 VanDerWaalsContact O-CD 3.31Å; I62-K160 WeakPolarHBondContact O-CD 3.38Å; I62-K160 WeakPolarHBondContact O-CE 3.07Å; I62-K160 PolarHBondContact O-NZ 2.86Å
63	R	96.1	Very high	91.4	Very high	89 Å²	89	68 Å²	68	34%	0.336	35%	0.352	S	S	.	.			trans	-121.4	124.4	172.5	-175.2	171.1	173.9	174.5	-1.4	110	L65 R66 E164	R63-L65 PolarHBondContact NE-O 3.29Å; R63-L65 PolarHBondContact NH2-O 3.36Å; R63-R66 HydrophobicContact CB-CG 4.39Å; R63-R66 HydrophobicContact CG-CG 4.45Å; R63-R66 VanDerWaalsContact O-CG 3.28Å; R63-R66 WeakPolarHBondContact O-CG 3.26Å; R63-R66 PolarHBondContact O-NE 3.02Å; R63-E164 VanDerWaalsContact CA-OE1 3.31Å; R63-E164 WeakPolarHBondContact CA-OE1 3.3Å
64	I	97.3	Very high	91.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-80.9	-48.3	-176.4	-65.3	173	0	0	0	110.4	R66 V145 H148 F149 L152 K160 A161 E164	I64-R66 PolarHBondContact O-N 2.98Å; I64-V145 HydrophobicContact CG2-CG1 3.96Å; I64-H148 HydrophobicContact CG1-CB 4.45Å; I64-F149 HydrophobicContact CD1-CB 4.41Å; I64-F149 HydrophobicContact CD1-CD2 4Å; I64-F149 HydrophobicContact CG2-CB 4.27Å; I64-L152 HydrophobicContact CD1-CD1 4.29Å; I64-K160 HydrophobicContact CD1-CB 4Å; I64-K160 HydrophobicContact CD1-CD 3.73Å; I64-K160 HydrophobicContact CD1-CG 3.7Å; I64-K160 HydrophobicContact CG1-CD 3.72Å; I64-K160 HydrophobicContact CG1-CG 4.09Å; I64-A161 HydrophobicContact CD1-CB 4.01Å; I64-E164 WeakPolarHBondContact CB-OE2 2.97Å; I64-E164 PolarHBondContact N-OE1 2.96Å; I64-E164 PolarHBondContact N-OE2 3.48Å
65	L	96.6	Very high	91	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-94.5	77.1	175.6	-58.7	-173.7	0	0	0	109.4	R63 L86 Y90 V145 E164 I167 L168 W171	R63-L65 PolarHBondContact NE-O 3.29Å; R63-L65 PolarHBondContact NH2-O 3.36Å; L65-L86 HydrophobicContact CD2-CD2 4.24Å; L65-Y90 HydrophobicContact CD1-CE2 4.46Å; L65-Y90 WeakPolarHBondContact CD1-OH 3.38Å; L65-V145 HydrophobicContact CD2-CG1 3.85Å; L65-V145 HydrophobicContact CD2-CG2 4.06Å; L65-E164 WeakPolarHBondContact CB-OE2 3.39Å; L65-E164 HydrophobicContact CD1-CB 4.31Å; L65-E164 HydrophobicContact CG-CB 4.48Å; L65-E164 PolarHBondContact N-OE2 3.26Å; L65-I167 HydrophobicContact CB-CB 4.37Å; L65-I167 HydrophobicContact CB-CD1 4.43Å; L65-I167 HydrophobicContact CB-CG2 3.94Å; L65-I167 HydrophobicContact CD1-CB 4.2Å; L65-I167 HydrophobicContact CD1-CG2 4.36Å; L65-L168 HydrophobicContact CD1-CB 3.95Å; L65-W171 HydrophobicContact CB-CH2 3.76Å; L65-W171 HydrophobicContact CB-CZ2 4.18Å; L65-W171 HydrophobicContact CB-CZ3 4.36Å; L65-W171 HydrophobicContact CD2-CH2 4.14Å; L65-W171 HydrophobicContact CD2-CZ3 4.06Å; L65-W171 HydrophobicContact CG-CH2 4.42Å
66	R	93.9	Very high	90.8	Very high	99 Å²	99	71.3 Å²	71.3	37%	0.374	35%	0.351	S	S	.	.			trans	-75.1	156	177.6	-33.7	175.4	161.5	-177.5	-3.2	110.2	R63 I64 T68 E69 H148 W171	R63-R66 HydrophobicContact CB-CG 4.39Å; R63-R66 HydrophobicContact CG-CG 4.45Å; R63-R66 VanDerWaalsContact O-CG 3.28Å; R63-R66 WeakPolarHBondContact O-CG 3.26Å; R63-R66 PolarHBondContact O-NE 3.02Å; I64-R66 PolarHBondContact O-N 2.98Å; R66-T68 PolarHBondContact O-N 2.83Å; R66-E69 WeakPolarHBondContact CA-OE2 3.31Å; R66-E69 WeakPolarHBondContact CB-OE2 3.26Å; R66-E69 PolarHBondContact N-OE2 3.21Å; R66-E69 PolarHBondContact O-N 2.83Å; R66-E69 VanDerWaalsContact O-N 3.1Å; R66-H148 VanDerWaalsContact CZ-NE2 3.28Å; R66-H148 PolarHBondContact NE-NE2 3Å; R66-H148 VanDerWaalsContact NE-NE2 3.19Å; R66-H148 PolarHBondContact NH2-CE1 3.5Å; R66-H148 VanDerWaalsContact NH2-CE1 3.29Å; R66-W171 VanDerWaalsContact O-CZ2 3.27Å; R66-W171 WeakPolarHBondContact O-CZ2 3.38Å
67	T	86.9	Confident	90.7	Very high	87 Å²	87	70.9 Å²	70.9	53%	0.534	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-62	-30	-176.7	47.4	0	0	0	0	112.5	E69 S70	T67-E69 PolarHBondContact O-N 3.23Å; T67-S70 VanDerWaalsContact O-CB 3.28Å; T67-S70 WeakPolarHBondContact O-CB 3.44Å; T67-S70 PolarHBondContact O-N 3.07Å
68	T	85.6	Confident	90.7	Very high	88 Å²	88	69.4 Å²	69.4	54%	0.54	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.7	176.7	43.5	0	0	0	0	113.5	R66 K141	R66-T68 PolarHBondContact O-N 2.83Å; T68-K141 WeakPolarHBondContact O-CE 3.43Å
69	E	87.4	Confident	90.8	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.042	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-95	11.2	176.2	-62.5	72.7	-133	0	0	113	R66 T67 F82 K141 H144 V145 W171	R66-E69 WeakPolarHBondContact CA-OE2 3.31Å; R66-E69 WeakPolarHBondContact CB-OE2 3.26Å; R66-E69 PolarHBondContact N-OE2 3.21Å; R66-E69 PolarHBondContact O-N 2.83Å; R66-E69 VanDerWaalsContact O-N 3.1Å; T67-E69 PolarHBondContact O-N 3.23Å; E69-F82 HydrophobicContact CB-CZ 4.31Å; E69-F82 WeakPolarHBondContact O-CE1 3.22Å; E69-F82 VanDerWaalsContact O-CZ 3.28Å; E69-F82 WeakPolarHBondContact O-CZ 3.48Å; E69-K141 HydrophobicContact CB-CB 4.46Å; E69-K141 HydrophobicContact CG-CB 4.39Å; E69-K141 HydrophobicContact CG-CG 4.45Å; E69-H144 HydrophobicContact CG-CB 4.09Å; E69-H144 IonicContact OE1-ND1 3.93Å; E69-V145 HydrophobicContact CB-CG2 4.35Å; E69-V145 HydrophobicContact CG-CG2 4.41Å; E69-W171 HydrophobicContact CB-CH2 4.21Å
70	S	84.5	Confident	91	Very high	7 Å²	7	60.5 Å²	60.5	5%	0.049	30%	0.303	C	S	.	.			trans	-54.7	148.1	-178.8	180	0	0	0	0	113.7	T67 Q72 D73 K141 W171	T67-S70 VanDerWaalsContact O-CB 3.28Å; T67-S70 WeakPolarHBondContact O-CB 3.44Å; T67-S70 PolarHBondContact O-N 3.07Å; S70-Q72 PolarHBondContact O-N 3.11Å; S70-Q72 PolarHBondContact OG-N 2.76Å; S70-Q72 VanDerWaalsContact OG-N 3.17Å; S70-D73 PolarHBondContact O-N 3.35Å; S70-K141 PolarHBondContact O-NZ 2.95Å; S70-K141 VanDerWaalsContact O-NZ 3.14Å; S70-W171 PolarHBondContact OG-NE1 3.22Å
71	L	80.7	Confident	91.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-65.3	-22.1	171.1	-80.6	167.2	0	0	0	112.7	I74 R79 F82 L83 W171 M175	L71-I74 HydrophobicContact CD2-CG2 4.46Å; L71-I74 VanDerWaalsContact O-CG2 3.31Å; L71-I74 WeakPolarHBondContact O-CG2 3.4Å; L71-R79 HydrophobicContact CD2-CB 4.41Å; L71-R79 PolarHBondContact O-NE 2.96Å; L71-F82 HydrophobicContact CD2-CB 4.37Å; L71-F82 HydrophobicContact CD2-CD1 3.51Å; L71-F82 HydrophobicContact CD2-CE1 4.23Å; L71-F82 HydrophobicContact CD2-CG 4.36Å; L71-F82 HydrophobicContact CG-CD1 4.01Å; L71-F82 HydrophobicContact CG-CE1 4.24Å; L71-L83 HydrophobicContact CD1-CB 4.43Å; L71-L83 HydrophobicContact CD1-CD1 4.21Å; L71-L83 HydrophobicContact CD2-CB 4.28Å; L71-W171 HydrophobicContact CB-CB 4.09Å; L71-W171 HydrophobicContact CD1-CB 3.83Å; L71-W171 HydrophobicContact CG-CB 4.22Å; L71-M175 HydrophobicContact CB-CE 3.96Å; L71-M175 HydrophobicContact CB-CG 4.46Å; L71-M175 HydrophobicContact CB-SD 4.33Å
72	Q	82.3	Confident	91.6	Very high	96 Å²	96	46.1 Å²	46.1	45%	0.449	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-45.3	174.6	-80.3	178.9	-9.2	0	0	111.6	S70 I74 R79 E174 M175	S70-Q72 PolarHBondContact O-N 3.11Å; S70-Q72 PolarHBondContact OG-N 2.76Å; S70-Q72 VanDerWaalsContact OG-N 3.17Å; Q72-I74 PolarHBondContact O-N 3.01Å; Q72-R79 PolarHBondContact O-NH2 3.37Å; Q72-E174 HydrophobicContact CG-CB 3.72Å; Q72-E174 HydrophobicContact CG-CG 4.15Å; Q72-E174 WeakPolarHBondContact CG-OE2 3.4Å; Q72-E174 VanDerWaalsContact NE2-CB 3.28Å; Q72-E174 PolarHBondContact NE2-OE1 3.06Å; Q72-E174 PolarHBondContact NE2-OE2 3.24Å; Q72-M175 HydrophobicContact CB-CE 4.4Å; Q72-M175 HydrophobicContact CG-CE 3.74Å
73	D	85.2	Confident	91.9	Very high	103 Å²	103	44.1 Å²	44.1	55%	0.551	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	6.8	-173.7	-61.5	-37	0	0	0	113.1	S70 K141	S70-D73 PolarHBondContact O-N 3.35Å; D73-K141 PolarHBondContact O-NZ 3.48Å
74	I	90.8	Very high	92	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-99.8	144.3	175.5	-156.5	179.3	0	0	0	110.5	L71 Q72 H76 D78 R79 F82 E137 A138 K141	L71-I74 HydrophobicContact CD2-CG2 4.46Å; L71-I74 VanDerWaalsContact O-CG2 3.31Å; L71-I74 WeakPolarHBondContact O-CG2 3.4Å; Q72-I74 PolarHBondContact O-N 3.01Å; I74-H76 PolarHBondContact O-N 3.14Å; I74-D78 HydrophobicContact CD1-CB 3.75Å; I74-D78 HydrophobicContact CG1-CB 3.93Å; I74-R79 HydrophobicContact CG2-CB 4.23Å; I74-R79 HydrophobicContact CG2-CG 3.35Å; I74-F82 HydrophobicContact CD1-CB 3.71Å; I74-F82 HydrophobicContact CD1-CD1 4.11Å; I74-F82 HydrophobicContact CD1-CG 4.04Å; I74-E137 WeakPolarHBondContact CA-OE1 3.4Å; I74-E137 HydrophobicContact CG1-CG 4Å; I74-E137 WeakPolarHBondContact CG1-OE1 3.34Å; I74-A138 HydrophobicContact CD1-CB 4.02Å; I74-K141 HydrophobicContact CB-CD 4.28Å; I74-K141 HydrophobicContact CD1-CD 4.18Å; I74-K141 HydrophobicContact CG1-CD 4.16Å
75	K	92.9	Very high	92.1	Very high	130 Å²	130	43.2 Å²	43.2	57%	0.565	22%	0.216	S	C	*	.			trans	-46.7	135.5	170.9	-75.5	172.6	-168.1	168.1	0	111.3	S77 D78 R79 E137	K75-S77 PolarHBondContact O-N 3.19Å; K75-S77 VanDerWaalsContact O-N 3.12Å; K75-D78 HydrophobicContact CB-CB 4.32Å; K75-D78 WeakPolarHBondContact O-CA 3.37Å; K75-D78 WeakPolarHBondContact O-CB 3.44Å; K75-D78 PolarHBondContact O-N 3.29Å; K75-R79 PolarHBondContact O-N 3.4Å; K75-E137 WeakPolarHBondContact CD-OE2 3.5Å; K75-E137 WeakPolarHBondContact CE-OE2 3.36Å; K75-E137 WeakPolarHBondContact CG-OE2 3.34Å; K75-E137 PolarHBondContact N-OE1 3.41Å; K75-E137 IonicContact NZ-OE2 3.68Å
76	H	92.8	Very high	92.2	Very high	122 Å²	122	43.2 Å²	43.2	57%	0.565	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-52.2	-39.7	-178.3	-75.1	-95.2	0	0	0	113.3	G31 I74 D78 R79	G31-H76 WeakPolarHBondContact CA-O 3.43Å; G31-H76 PolarHBondContact N-O 3.05Å; I74-H76 PolarHBondContact O-N 3.14Å; H76-D78 PolarHBondContact O-N 3.23Å; H76-R79 VanDerWaalsContact CE1-CZ 3.45Å; H76-R79 PolarHBondContact CE1-NH1 3.06Å; H76-R79 VanDerWaalsContact CE1-NH1 3.26Å; H76-R79 PolarHBondContact CE1-NH2 2.82Å; H76-R79 PolarHBondContact ND1-NH1 3.43Å; H76-R79 VanDerWaalsContact ND1-NH1 3.19Å; H76-R79 PolarHBondContact O-N 3.47Å
77	S	92.9	Very high	92.4	Very high	60 Å²	60	38.5 Å²	38.5	42%	0.42	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-64.8	-24	178	54.1	0	0	0	0	114.1	K75	K75-S77 PolarHBondContact O-N 3.19Å; K75-S77 VanDerWaalsContact O-N 3.12Å
78	D	95.8	Very high	93	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-98.3	-13.7	-173.7	-78.6	-12.6	0	0	0	113	I74 K75 H76 C80 C81 F82 H133 G135 A138	I74-D78 HydrophobicContact CD1-CB 3.75Å; I74-D78 HydrophobicContact CG1-CB 3.93Å; K75-D78 HydrophobicContact CB-CB 4.32Å; K75-D78 WeakPolarHBondContact O-CA 3.37Å; K75-D78 WeakPolarHBondContact O-CB 3.44Å; K75-D78 PolarHBondContact O-N 3.29Å; H76-D78 PolarHBondContact O-N 3.23Å; D78-C80 VanDerWaalsContact C-N 3.34Å; D78-C80 PolarHBondContact O-N 3.25Å; D78-C81 PolarHBondContact O-N 3.37Å; D78-F82 PolarHBondContact O-N 3.27Å; D78-H133 IonicContact OD1-CD2 3.4Å; D78-H133 PolarHBondContact OD1-CD2 3.2Å; D78-G135 VanDerWaalsContact OD1-CA 3.3Å; D78-G135 WeakPolarHBondContact OD1-CA 3.35Å; D78-G135 PolarHBondContact OD1-N 3.45Å; D78-A138 HydrophobicContact CB-CB 3.99Å
79	R	96.3	Very high	93.6	Very high	28 Å²	28	32.9 Å²	32.9	11%	0.106	16%	0.157	C	C	.	.	H	α-helix	trans	-53.2	-47.1	178.4	-72.2	176.2	177.9	-173.4	1	112.8	L30 L71 Q72 I74 K75 H76 C81 F82 L83 M175	L30-R79 HydrophobicContact CB-CB 4.36Å; L30-R79 HydrophobicContact CD2-CB 4.28Å; L71-R79 HydrophobicContact CD2-CB 4.41Å; L71-R79 PolarHBondContact O-NE 2.96Å; Q72-R79 PolarHBondContact O-NH2 3.37Å; I74-R79 HydrophobicContact CG2-CB 4.23Å; I74-R79 HydrophobicContact CG2-CG 3.35Å; K75-R79 PolarHBondContact O-N 3.4Å; H76-R79 VanDerWaalsContact CE1-CZ 3.45Å; H76-R79 PolarHBondContact CE1-NH1 3.06Å; H76-R79 VanDerWaalsContact CE1-NH1 3.26Å; H76-R79 PolarHBondContact CE1-NH2 2.82Å; H76-R79 PolarHBondContact ND1-NH1 3.43Å; H76-R79 VanDerWaalsContact ND1-NH1 3.19Å; H76-R79 PolarHBondContact O-N 3.47Å; R79-C81 PolarHBondContact O-N 3.12Å; R79-F82 PolarHBondContact O-N 3.42Å; R79-L83 WeakPolarHBondContact O-CB 3.49Å; R79-L83 PolarHBondContact O-N 2.94Å; R79-M175 VanDerWaalsContact CD-SD 3.53Å; R79-M175 HydrophobicContact CG-SD 4.4Å; R79-M175 VanDerWaalsContact CZ-SD 3.56Å; R79-M175 PolarHBondContact NH1-SD 3.3Å
80	C	97.9	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-46	179.9	177.5	0	0	0	0	111.7	L30 C33 D78 R84 C132	L30-C80 HydrophobicContact CB-CB 3.89Å; L30-C80 WeakPolarHBondContact O-CB 3.43Å; C33-C80 HydrophobicContact CB-CB 3.93Å; C33-C80 VanDerWaalsContact SG-SG 3.66Å; D78-C80 VanDerWaalsContact C-N 3.34Å; D78-C80 PolarHBondContact O-N 3.25Å; C80-R84 WeakPolarHBondContact O-CB 3.48Å; C80-R84 PolarHBondContact O-N 3.16Å; C80-C132 HydrophobicContact CB-CB 3.97Å; C80-C132 WeakPolarHBondContact CB-SG 3.4Å; C80-C132 WeakPolarHBondContact SG-CB 3.47Å; C80-C132 CovalentContact SG-SG 2.03Å; C80-C132 PolarHBondContact SG-SG 3.44Å
81	C	98.1	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-46.8	-179.5	-176.9	0	0	0	0	111.1	D78 R79 R84 H85 H133 C134 A138	D78-C81 PolarHBondContact O-N 3.37Å; R79-C81 PolarHBondContact O-N 3.12Å; C81-R84 WeakPolarHBondContact O-CB 3.4Å; C81-R84 PolarHBondContact O-N 3.45Å; C81-H85 PolarHBondContact O-CD2 3.13Å; C81-H85 VanDerWaalsContact O-CD2 3.23Å; C81-H85 PolarHBondContact O-N 3.44Å; C81-H133 WeakPolarHBondContact CB-O 3.06Å; C81-C134 HydrophobicContact CB-CB 3.86Å; C81-C134 WeakPolarHBondContact CB-SG 3.31Å; C81-C134 WeakPolarHBondContact SG-CA 2.98Å; C81-C134 WeakPolarHBondContact SG-CB 3.09Å; C81-C134 CovalentContact SG-SG 2.04Å; C81-C134 PolarHBondContact SG-SG 3Å; C81-A138 HydrophobicContact CB-CB 3.98Å
82	F	97.9	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-49	-179.8	-177.2	-134.5	0	0	0	112	E69 L71 I74 D78 R79 R84 H85 L86 A138 K141 V145 W171	E69-F82 HydrophobicContact CB-CZ 4.31Å; E69-F82 WeakPolarHBondContact O-CE1 3.22Å; E69-F82 VanDerWaalsContact O-CZ 3.28Å; E69-F82 WeakPolarHBondContact O-CZ 3.48Å; L71-F82 HydrophobicContact CD2-CB 4.37Å; L71-F82 HydrophobicContact CD2-CD1 3.51Å; L71-F82 HydrophobicContact CD2-CE1 4.23Å; L71-F82 HydrophobicContact CD2-CG 4.36Å; L71-F82 HydrophobicContact CG-CD1 4.01Å; L71-F82 HydrophobicContact CG-CE1 4.24Å; I74-F82 HydrophobicContact CD1-CB 3.71Å; I74-F82 HydrophobicContact CD1-CD1 4.11Å; I74-F82 HydrophobicContact CD1-CG 4.04Å; D78-F82 PolarHBondContact O-N 3.27Å; R79-F82 PolarHBondContact O-N 3.42Å; F82-R84 VanDerWaalsContact C-N 3.32Å; F82-R84 PolarHBondContact O-N 3.17Å; F82-H85 PolarHBondContact O-N 3.42Å; F82-H85 VanDerWaalsContact O-N 3.1Å; F82-L86 HydrophobicContact CD1-CD1 4.19Å; F82-L86 HydrophobicContact CD2-CD1 4.34Å; F82-L86 HydrophobicContact CD2-CG 4.29Å; F82-L86 HydrophobicContact CE1-CD1 3.77Å; F82-L86 HydrophobicContact CE2-CD1 3.96Å; F82-L86 HydrophobicContact CE2-CD2 4.08Å; F82-L86 HydrophobicContact CE2-CG 3.97Å; F82-L86 HydrophobicContact CG-CD1 4.44Å; F82-L86 HydrophobicContact CZ-CD1 3.67Å; F82-L86 HydrophobicContact CZ-CD2 4.25Å; F82-L86 HydrophobicContact CZ-CG 4.16Å; F82-L86 WeakPolarHBondContact O-CG 3.32Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-A138 HydrophobicContact CB-CB 4.06Å; F82-K141 HydrophobicContact CD2-CB 4.26Å; F82-K141 HydrophobicContact CE2-CB 3.89Å; F82-K141 HydrophobicContact CZ-CB 4.06Å; F82-V145 HydrophobicContact CZ-CG2 4.46Å; F82-W171 HydrophobicContact CE1-CZ3 4.29Å; F82-W171 HydrophobicContact CZ-CZ3 4.26Å
83	L	98.2	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-40.3	175.3	-178.9	62.3	0	0	0	112	L30 L71 R79 H85 L86 V87 L123 L168 M172	L30-L83 HydrophobicContact CD1-CD2 3.64Å; L30-L83 HydrophobicContact CD2-CD2 3.88Å; L30-L83 HydrophobicContact CG-CD2 4.42Å; L71-L83 HydrophobicContact CD1-CB 4.43Å; L71-L83 HydrophobicContact CD1-CD1 4.21Å; L71-L83 HydrophobicContact CD2-CB 4.28Å; R79-L83 WeakPolarHBondContact O-CB 3.49Å; R79-L83 PolarHBondContact O-N 2.94Å; L83-H85 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.25Å; L83-V87 HydrophobicContact CD1-CG2 3.89Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.28Å; L83-V87 VanDerWaalsContact O-CG2 3.31Å; L83-V87 WeakPolarHBondContact O-CG2 3.46Å; L83-V87 PolarHBondContact O-N 3.1Å; L83-L123 HydrophobicContact CD2-CD1 4.23Å; L83-L123 HydrophobicContact CD2-CD2 4.43Å; L83-L123 HydrophobicContact CG-CD1 3.99Å; L83-L168 HydrophobicContact CD1-CD1 4.11Å; L83-M172 HydrophobicContact CD1-CE 4.43Å; L83-M172 HydrophobicContact CD1-CG 3.94Å; L83-M172 HydrophobicContact CD1-SD 4.1Å; L83-M172 HydrophobicContact CD2-CE 4.32Å
84	R	98.4	Very high	97	Very high	34 Å²	34	32.5 Å²	32.5	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-34.3	175.8	171.1	174.8	176.1	-92.6	6.2	112.4	C80 C81 F82 R88 L123 H127	C80-R84 WeakPolarHBondContact O-CB 3.48Å; C80-R84 PolarHBondContact O-N 3.16Å; C81-R84 WeakPolarHBondContact O-CB 3.4Å; C81-R84 PolarHBondContact O-N 3.45Å; F82-R84 VanDerWaalsContact C-N 3.32Å; F82-R84 PolarHBondContact O-N 3.17Å; R84-R88 WeakPolarHBondContact O-CG 3.37Å; R84-R88 PolarHBondContact O-N 3.31Å; R84-L123 HydrophobicContact CB-CB 4.22Å; R84-L123 HydrophobicContact CB-CD1 4.19Å; R84-L123 HydrophobicContact CG-CB 4.44Å; R84-H127 PolarHBondContact NH2-CD2 2.85Å; R84-H127 PolarHBondContact NH2-NE2 2.71Å
85	H	98.6	Very high	97.4	Very high	35 Å²	35	33.1 Å²	33.1	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-75.7	-40.9	173.7	-83.4	-81	0	0	0	112.6	C81 F82 L83 R88 F89 Y142	C81-H85 PolarHBondContact O-CD2 3.13Å; C81-H85 VanDerWaalsContact O-CD2 3.23Å; C81-H85 PolarHBondContact O-N 3.44Å; F82-H85 PolarHBondContact O-N 3.42Å; F82-H85 VanDerWaalsContact O-N 3.1Å; L83-H85 PolarHBondContact O-N 2.95Å; H85-R88 PolarHBondContact O-N 2.71Å; H85-F89 WeakPolarHBondContact O-CB 3.4Å; H85-F89 PolarHBondContact O-N 2.89Å; H85-Y142 HydrophobicContact CB-CD1 4.04Å; H85-Y142 HydrophobicContact CB-CD2 3.56Å; H85-Y142 HydrophobicContact CB-CE1 4.22Å; H85-Y142 HydrophobicContact CB-CE2 3.77Å; H85-Y142 HydrophobicContact CB-CG 3.69Å; H85-Y142 AromaticContact ND1-CD1 3.84Å; H85-Y142 AromaticContact ND1-CE1 3.66Å
86	L	98.6	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-47.1	175.2	-68.8	173.2	0	0	0	112.2	L65 F82 L83 R88 F89 Y90 V145 L168 W171	L65-L86 HydrophobicContact CD2-CD2 4.24Å; F82-L86 HydrophobicContact CD1-CD1 4.19Å; F82-L86 HydrophobicContact CD2-CD1 4.34Å; F82-L86 HydrophobicContact CD2-CG 4.29Å; F82-L86 HydrophobicContact CE1-CD1 3.77Å; F82-L86 HydrophobicContact CE2-CD1 3.96Å; F82-L86 HydrophobicContact CE2-CD2 4.08Å; F82-L86 HydrophobicContact CE2-CG 3.97Å; F82-L86 HydrophobicContact CG-CD1 4.44Å; F82-L86 HydrophobicContact CZ-CD1 3.67Å; F82-L86 HydrophobicContact CZ-CD2 4.25Å; F82-L86 HydrophobicContact CZ-CG 4.16Å; F82-L86 WeakPolarHBondContact O-CG 3.32Å; F82-L86 PolarHBondContact O-N 3.29Å; L83-L86 PolarHBondContact O-N 3.25Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 2.98Å; L86-F89 WeakPolarHBondContact O-CB 3.46Å; L86-F89 PolarHBondContact O-N 3.23Å; L86-F89 VanDerWaalsContact O-N 3.1Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 2.96Å; L86-V145 HydrophobicContact CD2-CG1 4.04Å; L86-V145 HydrophobicContact CD2-CG2 4.27Å; L86-L168 HydrophobicContact CB-CD1 4.34Å; L86-L168 HydrophobicContact CD1-CD1 3.77Å; L86-W171 HydrophobicContact CD1-CE3 4.23Å; L86-W171 HydrophobicContact CD1-CZ3 4.1Å
87	V	98.7	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-41.3	177.8	170.7	0	0	0	0	111.1	L83 L91 F116 I119 K120 L123	L83-V87 HydrophobicContact CD1-CG2 3.89Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.28Å; L83-V87 VanDerWaalsContact O-CG2 3.31Å; L83-V87 WeakPolarHBondContact O-CG2 3.46Å; L83-V87 PolarHBondContact O-N 3.1Å; V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.39Å; V87-L91 VanDerWaalsContact O-N 3.14Å; V87-F116 HydrophobicContact CB-CD1 4.42Å; V87-F116 HydrophobicContact CG1-CD1 4.11Å; V87-F116 WeakPolarHBondContact CG1-O 3.48Å; V87-F116 HydrophobicContact CG2-CD1 4.28Å; V87-F116 HydrophobicContact CG2-CE1 4.38Å; V87-I119 HydrophobicContact CG2-CG2 3.89Å; V87-K120 HydrophobicContact CG1-CB 3.76Å; V87-L123 HydrophobicContact CB-CD1 4.4Å; V87-L123 HydrophobicContact CG2-CD1 4.04Å
88	R	98.6	Very high	98.1	Very high	57 Å²	57	29.8 Å²	29.8	22%	0.215	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-44	173.1	-78.5	-166.3	-179.3	87.7	8.8	112.2	R84 H85 L86 Y90 L91 D92 K120	R84-R88 WeakPolarHBondContact O-CG 3.37Å; R84-R88 PolarHBondContact O-N 3.31Å; H85-R88 PolarHBondContact O-N 2.71Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 2.98Å; R88-Y90 VanDerWaalsContact C-N 3.32Å; R88-Y90 PolarHBondContact O-N 2.96Å; R88-L91 PolarHBondContact O-N 3.2Å; R88-D92 VanDerWaalsContact O-CB 3.26Å; R88-D92 WeakPolarHBondContact O-CB 3.34Å; R88-D92 VanDerWaalsContact O-CG 3.27Å; R88-D92 PolarHBondContact O-N 3.36Å; R88-K120 HydrophobicContact CG-CD 4.45Å
89	F	98.7	Very high	98	Very high	1 Å²	1	36 Å²	36	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-48.1	176.6	161.2	-89.7	0	0	0	111.3	H85 L86 L91 R93 V94 Y142 F149 A161	H85-F89 WeakPolarHBondContact O-CB 3.4Å; H85-F89 PolarHBondContact O-N 2.89Å; L86-F89 WeakPolarHBondContact O-CB 3.46Å; L86-F89 PolarHBondContact O-N 3.23Å; L86-F89 VanDerWaalsContact O-N 3.1Å; F89-L91 PolarHBondContact O-N 2.85Å; F89-R93 HydrophobicContact CD2-CB 4.38Å; F89-R93 HydrophobicContact CE2-CB 4.49Å; F89-R93 WeakPolarHBondContact O-CA 3.4Å; F89-R93 VanDerWaalsContact O-CB 3.26Å; F89-R93 WeakPolarHBondContact O-CB 3.12Å; F89-R93 PolarHBondContact O-N 2.91Å; F89-V94 HydrophobicContact CD1-CG2 4.14Å; F89-V94 HydrophobicContact CE1-CG2 3.58Å; F89-V94 HydrophobicContact CZ-CG2 3.89Å; F89-V94 PolarHBondContact O-N 3.36Å; F89-Y142 HydrophobicContact CB-CE2 3.97Å; F89-F149 HydrophobicContact CE2-CB 3.91Å; F89-F149 HydrophobicContact CE2-CD1 4.05Å; F89-F149 AromaticContact CE2-CD2 3.63Å; F89-F149 HydrophobicContact CE2-CD2 3.63Å; F89-F149 HydrophobicContact CE2-CE2 4.12Å; F89-F149 AromaticContact CE2-CG 3.58Å; F89-F149 HydrophobicContact CE2-CG 3.58Å; F89-F149 HydrophobicContact CZ-CB 4.12Å; F89-F149 AromaticContact CZ-CD2 3.38Å; F89-F149 HydrophobicContact CZ-CD2 3.38Å; F89-F149 AromaticContact CZ-CE2 3.89Å; F89-F149 HydrophobicContact CZ-CE2 3.89Å; F89-F149 AromaticContact CZ-CG 3.8Å; F89-F149 HydrophobicContact CZ-CG 3.8Å; F89-A161 HydrophobicContact CE1-CB 4.2Å; F89-A161 HydrophobicContact CZ-CB 4.15Å
90	Y	98.8	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-62.4	-44.8	177.9	-90	-88.2	0	0	0	112.7	L65 L86 R88 V94 F95 F116 A161 L165 L168	L65-Y90 HydrophobicContact CD1-CE2 4.46Å; L65-Y90 WeakPolarHBondContact CD1-OH 3.38Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 2.96Å; R88-Y90 VanDerWaalsContact C-N 3.32Å; R88-Y90 PolarHBondContact O-N 2.96Å; Y90-V94 HydrophobicContact CD1-CB 3.91Å; Y90-V94 HydrophobicContact CD1-CG1 3.99Å; Y90-V94 HydrophobicContact CD1-CG2 3.99Å; Y90-V94 HydrophobicContact CE1-CB 4.46Å; Y90-V94 HydrophobicContact CE1-CG1 4.18Å; Y90-V94 HydrophobicContact CE1-CG2 4.31Å; Y90-V94 HydrophobicContact CG-CB 4.48Å; Y90-V94 HydrophobicContact CG-CG2 4.32Å; Y90-V94 CarbonylContact O-C 3.6Å; Y90-V94 WeakPolarHBondContact O-CA 3.3Å; Y90-V94 WeakPolarHBondContact O-CB 3.43Å; Y90-V94 PolarHBondContact O-N 3.05Å; Y90-F95 HydrophobicContact CD1-CE1 4.4Å; Y90-F95 HydrophobicContact CD1-CE2 4.36Å; Y90-F95 HydrophobicContact CD1-CZ 4.06Å; Y90-F95 WeakPolarHBondContact O-CD2 3.46Å; Y90-F95 PolarHBondContact O-N 3.1Å; Y90-F116 HydrophobicContact CD2-CE1 4.41Å; Y90-F116 HydrophobicContact CG-CE1 4.15Å; Y90-A161 WeakPolarHBondContact CE1-O 3.42Å; Y90-A161 PolarHBondContact OH-O 3.27Å; Y90-L165 HydrophobicContact CD1-CD1 4.19Å; Y90-L165 HydrophobicContact CE1-CB 4.2Å; Y90-L165 HydrophobicContact CE1-CD1 3.88Å; Y90-L168 HydrophobicContact CD2-CD2 3.6Å; Y90-L168 HydrophobicContact CE2-CB 4.48Å; Y90-L168 HydrophobicContact CE2-CD2 3.47Å; Y90-L168 VanDerWaalsContact CE2-CD2 3.47Å; Y90-L168 HydrophobicContact CG-CD2 4.45Å
91	L	98.8	Very high	97.9	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	20%	0.197	C	C	.	.	I	π-helix	trans	-66.7	-46	179	-72.1	165.4	0	0	0	113.2	V87 R88 F89 F95 A113 F116 L117 K120	V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.39Å; V87-L91 VanDerWaalsContact O-N 3.14Å; R88-L91 PolarHBondContact O-N 3.2Å; F89-L91 PolarHBondContact O-N 2.85Å; L91-F95 HydrophobicContact CD2-CD2 4.13Å; L91-A113 HydrophobicContact CD2-CB 4.3Å; L91-A113 WeakPolarHBondContact CD2-O 3.33Å; L91-F116 HydrophobicContact CD1-CB 4.38Å; L91-F116 HydrophobicContact CD2-CB 3.92Å; L91-F116 HydrophobicContact CG-CB 4.1Å; L91-L117 HydrophobicContact CD1-CD2 3.95Å; L91-L117 HydrophobicContact CD1-CG 4.47Å; L91-L117 HydrophobicContact CD2-CD2 3.96Å; L91-L117 HydrophobicContact CD2-CG 3.85Å; L91-K120 HydrophobicContact CD1-CB 3.98Å; L91-K120 HydrophobicContact CD1-CD 3.39Å; L91-K120 HydrophobicContact CD1-CG 4.3Å
92	D	98.4	Very high	97.8	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	21%	0.214	S	C	.	.	I	π-helix	trans	-88.4	-23.1	-168.5	-59.9	-24.6	0	0	0	112	R88 F97 K120	R88-D92 VanDerWaalsContact O-CB 3.26Å; R88-D92 WeakPolarHBondContact O-CB 3.34Å; R88-D92 VanDerWaalsContact O-CG 3.27Å; R88-D92 PolarHBondContact O-N 3.36Å; D92-F97 VanDerWaalsContact O-CE2 3.26Å; D92-F97 WeakPolarHBondContact O-CE2 3.5Å; D92-K120 IonicContact OD1-NZ 3.72Å
93	R	98.4	Very high	97.8	Very high	106 Å²	106	51.7 Å²	51.7	40%	0.4	25%	0.246	S	C	.	.	I	π-helix	trans	-124.2	-25.3	-173.5	-54.9	-176	-175.9	-98.7	0.9	115.2	F89 F97 F149 V158	F89-R93 HydrophobicContact CD2-CB 4.38Å; F89-R93 HydrophobicContact CE2-CB 4.49Å; F89-R93 WeakPolarHBondContact O-CA 3.4Å; F89-R93 VanDerWaalsContact O-CB 3.26Å; F89-R93 WeakPolarHBondContact O-CB 3.12Å; F89-R93 PolarHBondContact O-N 2.91Å; R93-F97 WeakPolarHBondContact O-CD2 3.2Å; R93-F149 HydrophobicContact CB-CE1 4.41Å; R93-F149 HydrophobicContact CB-CZ 4.2Å; R93-V158 WeakPolarHBondContact O-CG2 3.37Å
94	V	98.6	Very high	97.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-102.4	-71.5	-175.9	-174.8	0	0	0	0	110.6	F89 Y90 K96 F97 Y98 F149 V158 A161 L162	F89-V94 HydrophobicContact CD1-CG2 4.14Å; F89-V94 HydrophobicContact CE1-CG2 3.58Å; F89-V94 HydrophobicContact CZ-CG2 3.89Å; F89-V94 PolarHBondContact O-N 3.36Å; Y90-V94 HydrophobicContact CD1-CB 3.91Å; Y90-V94 HydrophobicContact CD1-CG1 3.99Å; Y90-V94 HydrophobicContact CD1-CG2 3.99Å; Y90-V94 HydrophobicContact CE1-CB 4.46Å; Y90-V94 HydrophobicContact CE1-CG1 4.18Å; Y90-V94 HydrophobicContact CE1-CG2 4.31Å; Y90-V94 HydrophobicContact CG-CB 4.48Å; Y90-V94 HydrophobicContact CG-CG2 4.32Å; Y90-V94 CarbonylContact O-C 3.6Å; Y90-V94 WeakPolarHBondContact O-CA 3.3Å; Y90-V94 WeakPolarHBondContact O-CB 3.43Å; Y90-V94 PolarHBondContact O-N 3.05Å; V94-K96 PolarHBondContact O-N 2.73Å; V94-K96 VanDerWaalsContact O-N 3.17Å; V94-F97 PolarHBondContact O-N 3.47Å; V94-Y98 PolarHBondContact O-N 3.3Å; V94-F149 HydrophobicContact CG2-CE2 4.39Å; V94-V158 HydrophobicContact CG1-CG1 4.36Å; V94-V158 WeakPolarHBondContact O-CG1 3.43Å; V94-A161 HydrophobicContact CG1-CB 4.1Å; V94-A161 HydrophobicContact CG2-CB 3.61Å; V94-L162 HydrophobicContact CG1-CB 3.86Å; V94-L162 HydrophobicContact CG1-CD1 4.47Å
95	F	98.6	Very high	97.6	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.079	26%	0.259	C	S	.	.	I	π-helix	trans	-58.1	-37.4	-175.2	-61.7	-47.2	0	0	0	113.1	Y90 L91 F97 T109 L112 A113 F116 L162 L165	Y90-F95 HydrophobicContact CD1-CE1 4.4Å; Y90-F95 HydrophobicContact CD1-CE2 4.36Å; Y90-F95 HydrophobicContact CD1-CZ 4.06Å; Y90-F95 WeakPolarHBondContact O-CD2 3.46Å; Y90-F95 PolarHBondContact O-N 3.1Å; L91-F95 HydrophobicContact CD2-CD2 4.13Å; F95-F97 VanDerWaalsContact C-N 3.29Å; F95-F97 PolarHBondContact O-N 3.29Å; F95-T109 HydrophobicContact CB-CG2 4.32Å; F95-T109 HydrophobicContact CD1-CG2 3.86Å; F95-L112 HydrophobicContact CE1-CB 3.92Å; F95-L112 HydrophobicContact CZ-CB 4.04Å; F95-A113 HydrophobicContact CB-CB 3.89Å; F95-A113 HydrophobicContact CD2-CB 3.77Å; F95-A113 HydrophobicContact CE2-CB 4.45Å; F95-A113 HydrophobicContact CG-CB 3.88Å; F95-F116 HydrophobicContact CE2-CB 3.94Å; F95-F116 AromaticContact CE2-CD1 3.85Å; F95-F116 HydrophobicContact CE2-CD1 3.85Å; F95-F116 HydrophobicContact CE2-CD2 4.03Å; F95-F116 HydrophobicContact CE2-CE1 4.41Å; F95-F116 AromaticContact CE2-CG 3.67Å; F95-F116 HydrophobicContact CE2-CG 3.67Å; F95-F116 HydrophobicContact CZ-CD1 4.39Å; F95-F116 HydrophobicContact CZ-CD2 4.1Å; F95-F116 HydrophobicContact CZ-CE2 4.3Å; F95-F116 HydrophobicContact CZ-CG 4.18Å; F95-L162 HydrophobicContact CD1-CD1 4.02Å; F95-L162 HydrophobicContact CE1-CD1 3.68Å; F95-L165 HydrophobicContact CE1-CD2 4.3Å; F95-L165 HydrophobicContact CZ-CD2 4.28Å
96	K	96.8	Very high	97.6	Very high	153 Å²	153	55.2 Å²	55.2	67%	0.665	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-29.7	179.6	179.9	176.1	177.2	-178.5	0	113.5	V94	V94-K96 PolarHBondContact O-N 2.73Å; V94-K96 VanDerWaalsContact O-N 3.17Å
97	F	97.8	Very high	97.6	Very high	79 Å²	79	63.3 Å²	63.3	35%	0.346	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-6.7	-169.9	-68.8	-70.5	0	0	0	113.9	D92 R93 V94 F95 Q99 Q155 V158	D92-F97 VanDerWaalsContact O-CE2 3.26Å; D92-F97 WeakPolarHBondContact O-CE2 3.5Å; R93-F97 WeakPolarHBondContact O-CD2 3.2Å; V94-F97 PolarHBondContact O-N 3.47Å; F95-F97 VanDerWaalsContact C-N 3.29Å; F95-F97 PolarHBondContact O-N 3.29Å; F97-Q99 PolarHBondContact O-N 2.89Å; F97-Q155 PolarHBondContact O-NE2 3.04Å; F97-Q155 VanDerWaalsContact O-NE2 3.12Å; F97-Q155 PolarHBondContact O-OE1 3.31Å; F97-V158 HydrophobicContact CB-CG1 4.49Å; F97-V158 HydrophobicContact CB-CG2 3.93Å
98	Y	97.9	Very high	97.5	Very high	9 Å²	9	65 Å²	65	4%	0.035	30%	0.304	C	S	.	.			trans	-65.4	126	176.5	-177.7	-100.7	0	0	0	109.9	V53 E56 V94 T100 I105 T109 V158 V159 L162	V53-Y98 HydrophobicContact CG2-CE2 4.49Å; E56-Y98 PolarHBondContact OE1-OH 3.45Å; E56-Y98 PolarHBondContact OE2-OH 3.42Å; V94-Y98 PolarHBondContact O-N 3.3Å; Y98-T100 HydrophobicContact CD1-CG2 4.32Å; Y98-T100 HydrophobicContact CE1-CG2 3.52Å; Y98-I105 HydrophobicContact CE1-CG2 3.65Å; Y98-T109 HydrophobicContact CD1-CG2 4.31Å; Y98-V158 VanDerWaalsContact CA-CG1 3.46Å; Y98-V158 HydrophobicContact CD2-CG1 4.15Å; Y98-V158 HydrophobicContact CG-CG1 4.43Å; Y98-V159 HydrophobicContact CD2-CG2 4.31Å; Y98-V159 HydrophobicContact CE2-CG2 3.99Å; Y98-L162 HydrophobicContact CD1-CD2 3.87Å; Y98-L162 HydrophobicContact CD2-CD2 3.56Å; Y98-L162 HydrophobicContact CE1-CD2 4.07Å; Y98-L162 HydrophobicContact CE2-CD2 3.8Å; Y98-L162 HydrophobicContact CG-CD2 3.61Å
99	Q	94.7	Very high	97.5	Very high	135 Å²	135	62.5 Å²	62.5	63%	0.631	30%	0.295	S	S	*	.			trans	-125.8	128.2	-175.3	-73.2	174.9	-0.1	0	0	109.5	F97	F97-Q99 PolarHBondContact O-N 2.89Å
100	T	95.6	Very high	97.5	Very high	23 Å²	23	65.6 Å²	65.6	14%	0.141	32%	0.317	C	S	.	.			trans	-151.9	146.9	173.4	178.4	0	0	0	0	108.4	Y98 D102 I105 L106	Y98-T100 HydrophobicContact CD1-CG2 4.32Å; Y98-T100 HydrophobicContact CE1-CG2 3.52Å; T100-D102 HydrophobicContact CG2-CB 4.35Å; T100-D102 PolarHBondContact O-N 2.96Å; T100-D102 PolarHBondContact OG1-N 3.45Å; T100-I105 HydrophobicContact CG2-CB 3.93Å; T100-I105 HydrophobicContact CG2-CG2 4.02Å; T100-L106 HydrophobicContact CG2-CD2 3.89Å; T100-L106 HydrophobicContact CG2-CG 3.87Å
101	P	95.8	Very high	97.5	Very high	123 Å²	123	67.5 Å²	67.5	80%	0.799	33%	0.33	S	S	*	.	S	Bend	trans	-68.6	-14.2	171.3	29.5	-35.8	0	0	0	112.6	H103	P101-H103 PolarHBondContact O-N 3.15Å
102	D	96.9	Very high	97.4	Very high	67 Å²	67	66.6 Å²	66.6	36%	0.358	33%	0.325	S	S	.	.			trans	-77.6	106	-179.5	-168.2	-29.4	0	0	0	112.1	T100 H104 I105 L106	T100-D102 HydrophobicContact CG2-CB 4.35Å; T100-D102 PolarHBondContact O-N 2.96Å; T100-D102 PolarHBondContact OG1-N 3.45Å; D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.36Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.35Å; D102-H104 PolarHBondContact OD1-N 3.38Å; D102-I105 HydrophobicContact CB-CB 4.19Å; D102-I105 HydrophobicContact CB-CD1 3.74Å; D102-I105 HydrophobicContact CB-CG1 3.87Å; D102-I105 PolarHBondContact O-N 3.35Å; D102-I105 PolarHBondContact OD1-N 2.84Å; D102-L106 PolarHBondContact O-N 3.26Å
103	H	96.8	Very high	97.5	Very high	146 Å²	146	63.6 Å²	63.6	68%	0.676	31%	0.312	S	S	*	.	H	α-helix	trans	-62.4	-27.8	177.1	-70.2	-62.5	0	0	0	114.4	P101 R107	P101-H103 PolarHBondContact O-N 3.15Å; H103-R107 WeakPolarHBondContact O-CB 3.41Å; H103-R107 PolarHBondContact O-N 3.41Å; H103-R107 VanDerWaalsContact O-N 3.11Å
104	H	96.4	Very high	97.5	Very high	80 Å²	80	63.1 Å²	63.1	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-67.6	-46.7	175.9	177.5	50	0	0	0	110.4	E48 D102 R107 K108	E48-H104 IonicContact OE2-CE1 2.89Å; D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.36Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.35Å; D102-H104 PolarHBondContact OD1-N 3.38Å; H104-R107 WeakPolarHBondContact O-CB 3.46Å; H104-R107 PolarHBondContact O-N 2.99Å; H104-K108 VanDerWaalsContact CE1-CE 3.42Å; H104-K108 WeakPolarHBondContact CE1-CE 3.32Å; H104-K108 WeakPolarHBondContact O-CG 3.37Å; H104-K108 PolarHBondContact O-N 2.9Å
105	I	97.4	Very high	97.4	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-45.9	177.3	-57.3	176.9	0	0	0	110.1	I49 T52 V53 Y98 T100 D102 R107 K108 T109	I49-I105 HydrophobicContact CB-CG2 4.27Å; I49-I105 HydrophobicContact CD1-CG2 4.36Å; I49-I105 HydrophobicContact CG2-CB 4.33Å; I49-I105 HydrophobicContact CG2-CG1 4.18Å; I49-I105 HydrophobicContact CG2-CG2 4.09Å; T52-I105 HydrophobicContact CG2-CD1 3.55Å; V53-I105 HydrophobicContact CG2-CG2 4.48Å; Y98-I105 HydrophobicContact CE1-CG2 3.65Å; T100-I105 HydrophobicContact CG2-CB 3.93Å; T100-I105 HydrophobicContact CG2-CG2 4.02Å; D102-I105 HydrophobicContact CB-CB 4.19Å; D102-I105 HydrophobicContact CB-CD1 3.74Å; D102-I105 HydrophobicContact CB-CG1 3.87Å; D102-I105 PolarHBondContact O-N 3.35Å; D102-I105 PolarHBondContact OD1-N 2.84Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 2.71Å; I105-K108 PolarHBondContact O-N 3.49Å; I105-T109 PolarHBondContact O-N 3.47Å; I105-T109 PolarHBondContact O-OG1 3.25Å; I105-T109 VanDerWaalsContact O-OG1 3.05Å
106	L	97.4	Very high	97.4	Very high	59 Å²	59	63.6 Å²	63.6	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-57	-38.2	176.4	-70.2	177.6	0	0	0	113	T100 D102 S110	T100-L106 HydrophobicContact CG2-CD2 3.89Å; T100-L106 HydrophobicContact CG2-CG 3.87Å; D102-L106 PolarHBondContact O-N 3.26Å; L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.42Å; L106-S110 PolarHBondContact O-OG 2.95Å
107	R	98.1	Very high	97.5	Very high	170 Å²	170	60.2 Å²	60.2	64%	0.642	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-42.3	175.6	-172.9	-174.8	-61.3	146.5	4.4	111.2	H103 H104 I105 S110 S111	H103-R107 WeakPolarHBondContact O-CB 3.41Å; H103-R107 PolarHBondContact O-N 3.41Å; H103-R107 VanDerWaalsContact O-N 3.11Å; H104-R107 WeakPolarHBondContact O-CB 3.46Å; H104-R107 PolarHBondContact O-N 2.99Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 2.71Å; R107-S110 WeakPolarHBondContact O-CB 3.38Å; R107-S110 PolarHBondContact O-N 2.95Å; R107-S111 PolarHBondContact O-N 2.97Å
108	K	98.1	Very high	97.5	Very high	36 Å²	36	61.5 Å²	61.5	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-44.8	177.5	-67.5	-67.4	176.8	172.3	0	111.9	E48 I49 H104 I105 S110 S111 L112	E48-K108 VanDerWaalsContact CD-CE 3.48Å; E48-K108 IonicContact OE1-NZ 2.69Å; E48-K108 PolarHBondContact OE1-NZ 2.92Å; E48-K108 WeakPolarHBondContact OE2-CE 3.41Å; E48-K108 IonicContact OE2-NZ 2.68Å; E48-K108 PolarHBondContact OE2-NZ 2.93Å; I49-K108 HydrophobicContact CD1-CB 4.29Å; I49-K108 HydrophobicContact CG2-CB 3.58Å; I49-K108 HydrophobicContact CG2-CG 3.82Å; H104-K108 VanDerWaalsContact CE1-CE 3.42Å; H104-K108 WeakPolarHBondContact CE1-CE 3.32Å; H104-K108 WeakPolarHBondContact O-CG 3.37Å; H104-K108 PolarHBondContact O-N 2.9Å; I105-K108 PolarHBondContact O-N 3.49Å; K108-S110 PolarHBondContact O-N 3.4Å; K108-S111 WeakPolarHBondContact O-CA 3.41Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.17Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 2.9Å
109	T	97.9	Very high	97.5	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-55.6	-40.7	172.2	-55.8	0	0	0	0	111.7	F95 Y98 I105 L112 A113	F95-T109 HydrophobicContact CB-CG2 4.32Å; F95-T109 HydrophobicContact CD1-CG2 3.86Å; Y98-T109 HydrophobicContact CD1-CG2 4.31Å; I105-T109 PolarHBondContact O-N 3.47Å; I105-T109 PolarHBondContact O-OG1 3.25Å; I105-T109 VanDerWaalsContact O-OG1 3.05Å; T109-L112 PolarHBondContact O-N 2.87Å; T109-A113 WeakPolarHBondContact O-CB 3.42Å; T109-A113 PolarHBondContact O-N 3.35Å
110	S	98.2	Very high	97.7	Very high	66 Å²	66	57.2 Å²	57.2	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-39	174.5	-59.2	0	0	0	0	112.7	L106 R107 K108 A113 N114	L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.42Å; L106-S110 PolarHBondContact O-OG 2.95Å; R107-S110 WeakPolarHBondContact O-CB 3.38Å; R107-S110 PolarHBondContact O-N 2.95Å; K108-S110 PolarHBondContact O-N 3.4Å; S110-A113 PolarHBondContact O-N 3.28Å; S110-N114 PolarHBondContact O-N 3.43Å; S110-N114 PolarHBondContact O-ND2 3.39Å
111	S	98.1	Very high	97.8	Very high	40 Å²	40	63 Å²	63	28%	0.28	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-46.6	175.5	-148.8	0	0	0	0	111.5	E45 R107 K108 A113 N114 S115	E45-S111 PolarHBondContact OE1-OG 3.4Å; E45-S111 WeakPolarHBondContact OE2-CB 3.31Å; E45-S111 PolarHBondContact OE2-OG 2.66Å; R107-S111 PolarHBondContact O-N 2.97Å; K108-S111 WeakPolarHBondContact O-CA 3.41Å; K108-S111 WeakPolarHBondContact O-CB 3.47Å; K108-S111 PolarHBondContact O-N 3.17Å; S111-A113 VanDerWaalsContact C-N 3.34Å; S111-A113 PolarHBondContact O-N 3Å; S111-N114 WeakPolarHBondContact O-CB 3.31Å; S111-N114 PolarHBondContact O-N 3.13Å; S111-N114 VanDerWaalsContact O-N 3.13Å; S111-S115 PolarHBondContact O-N 2.67Å; S111-S115 PolarHBondContact O-OG 3.21Å
112	L	98.6	Very high	97.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-45.3	174.9	-67.5	170.3	0	0	0	111.5	I42 E45 F46 I49 F95 K108 T109 N114 S115 F116 L165	I42-L112 HydrophobicContact CG2-CD2 3.78Å; I42-L112 WeakPolarHBondContact O-CD2 3.42Å; E45-L112 HydrophobicContact CB-CD2 3.83Å; E45-L112 HydrophobicContact CB-CG 4.4Å; F46-L112 HydrophobicContact CB-CD1 4.33Å; F46-L112 HydrophobicContact CB-CD2 4.02Å; F46-L112 HydrophobicContact CD2-CD1 4.15Å; I49-L112 HydrophobicContact CD1-CD1 3.83Å; F95-L112 HydrophobicContact CE1-CB 3.92Å; F95-L112 HydrophobicContact CZ-CB 4.04Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 2.9Å; T109-L112 PolarHBondContact O-N 2.87Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.01Å; L112-S115 WeakPolarHBondContact O-CB 3.39Å; L112-S115 PolarHBondContact O-N 3.03Å; L112-F116 WeakPolarHBondContact O-CD2 3.38Å; L112-F116 PolarHBondContact O-N 2.97Å; L112-L165 HydrophobicContact CD1-CD2 4.05Å; L112-L165 HydrophobicContact CD2-CD2 4.37Å
113	A	98.6	Very high	98	Very high	18 Å²	18	55.9 Å²	55.9	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-41.5	176.4	0	0	0	0	0	112.2	L91 F95 T109 S110 S111 F116 L117	L91-A113 HydrophobicContact CD2-CB 4.3Å; L91-A113 WeakPolarHBondContact CD2-O 3.33Å; F95-A113 HydrophobicContact CB-CB 3.89Å; F95-A113 HydrophobicContact CD2-CB 3.77Å; F95-A113 HydrophobicContact CE2-CB 4.45Å; F95-A113 HydrophobicContact CG-CB 3.88Å; T109-A113 WeakPolarHBondContact O-CB 3.42Å; T109-A113 PolarHBondContact O-N 3.35Å; S110-A113 PolarHBondContact O-N 3.28Å; S111-A113 VanDerWaalsContact C-N 3.34Å; S111-A113 PolarHBondContact O-N 3Å; A113-F116 PolarHBondContact O-N 3.34Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 2.81Å
114	N	98.4	Very high	98.1	Very high	96 Å²	96	50.9 Å²	50.9	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-41.5	175.8	-75.6	-51.3	0	0	0	112.4	S110 S111 L112 F116 L117 I118	S110-N114 PolarHBondContact O-N 3.43Å; S110-N114 PolarHBondContact O-ND2 3.39Å; S111-N114 WeakPolarHBondContact O-CB 3.31Å; S111-N114 PolarHBondContact O-N 3.13Å; S111-N114 VanDerWaalsContact O-N 3.13Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.01Å; N114-F116 VanDerWaalsContact C-N 3.3Å; N114-F116 PolarHBondContact O-N 3.1Å; N114-L117 WeakPolarHBondContact O-CB 3.03Å; N114-L117 PolarHBondContact O-N 3.33Å; N114-I118 PolarHBondContact O-N 2.92Å
115	S	97.9	Very high	98.2	Very high	27 Å²	27	50.1 Å²	50.1	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-40.8	173.6	-65	0	0	0	0	111.8	S111 L112 L117 I118 I119	S111-S115 PolarHBondContact O-N 2.67Å; S111-S115 PolarHBondContact O-OG 3.21Å; L112-S115 WeakPolarHBondContact O-CB 3.39Å; L112-S115 PolarHBondContact O-N 3.03Å; S115-L117 PolarHBondContact O-N 3.43Å; S115-I118 PolarHBondContact O-N 3.3Å; S115-I119 PolarHBondContact O-N 3.44Å
116	F	98.6	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-31	175	-89.7	-119.8	0	0	0	113.5	I42 V87 Y90 L91 F95 L112 A113 N114 I118 I119 K120 L165 L168	I42-F116 HydrophobicContact CG2-CE2 4.15Å; V87-F116 HydrophobicContact CB-CD1 4.42Å; V87-F116 HydrophobicContact CG1-CD1 4.11Å; V87-F116 WeakPolarHBondContact CG1-O 3.48Å; V87-F116 HydrophobicContact CG2-CD1 4.28Å; V87-F116 HydrophobicContact CG2-CE1 4.38Å; Y90-F116 HydrophobicContact CD2-CE1 4.41Å; Y90-F116 HydrophobicContact CG-CE1 4.15Å; L91-F116 HydrophobicContact CD1-CB 4.38Å; L91-F116 HydrophobicContact CD2-CB 3.92Å; L91-F116 HydrophobicContact CG-CB 4.1Å; F95-F116 HydrophobicContact CE2-CB 3.94Å; F95-F116 AromaticContact CE2-CD1 3.85Å; F95-F116 HydrophobicContact CE2-CD1 3.85Å; F95-F116 HydrophobicContact CE2-CD2 4.03Å; F95-F116 HydrophobicContact CE2-CE1 4.41Å; F95-F116 AromaticContact CE2-CG 3.67Å; F95-F116 HydrophobicContact CE2-CG 3.67Å; F95-F116 HydrophobicContact CZ-CD1 4.39Å; F95-F116 HydrophobicContact CZ-CD2 4.1Å; F95-F116 HydrophobicContact CZ-CE2 4.3Å; F95-F116 HydrophobicContact CZ-CG 4.18Å; L112-F116 WeakPolarHBondContact O-CD2 3.38Å; L112-F116 PolarHBondContact O-N 2.97Å; A113-F116 PolarHBondContact O-N 3.34Å; N114-F116 VanDerWaalsContact C-N 3.3Å; N114-F116 PolarHBondContact O-N 3.1Å; F116-I118 VanDerWaalsContact C-N 3.3Å; F116-I118 PolarHBondContact O-N 3.23Å; F116-I119 PolarHBondContact O-N 3.25Å; F116-K120 WeakPolarHBondContact O-CB 3.35Å; F116-K120 PolarHBondContact O-N 3.4Å; F116-L165 HydrophobicContact CE1-CD1 4.29Å; F116-L165 HydrophobicContact CE2-CD1 3.98Å; F116-L165 HydrophobicContact CZ-CD1 3.46Å; F116-L165 VanDerWaalsContact CZ-CD1 3.46Å; F116-L168 HydrophobicContact CE1-CD2 3.73Å; F116-L168 HydrophobicContact CZ-CD2 3.9Å
117	L	98.4	Very high	98.2	Very high	82 Å²	82	51.1 Å²	51.1	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-36.8	173.9	-76.5	172.3	0	0	0	112	L91 A113 N114 S115 K120 K121	L91-L117 HydrophobicContact CD1-CD2 3.95Å; L91-L117 HydrophobicContact CD1-CG 4.47Å; L91-L117 HydrophobicContact CD2-CD2 3.96Å; L91-L117 HydrophobicContact CD2-CG 3.85Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 2.81Å; N114-L117 WeakPolarHBondContact O-CB 3.03Å; N114-L117 PolarHBondContact O-N 3.33Å; S115-L117 PolarHBondContact O-N 3.43Å; L117-K120 PolarHBondContact O-N 2.04Å; L117-K121 PolarHBondContact O-N 3.43Å
118	I	97.4	Very high	98.1	Very high	106 Å²	106	47.1 Å²	47.1	54%	0.544	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-49.5	175.4	-61.5	168	0	0	0	109.6	N114 S115 F116 K120 K121 D122	N114-I118 PolarHBondContact O-N 2.92Å; S115-I118 PolarHBondContact O-N 3.3Å; F116-I118 VanDerWaalsContact C-N 3.3Å; F116-I118 PolarHBondContact O-N 3.23Å; I118-K120 VanDerWaalsContact C-N 3.33Å; I118-K120 PolarHBondContact O-N 3.42Å; I118-K121 VanDerWaalsContact O-CB 3.32Å; I118-K121 WeakPolarHBondContact O-CB 3.27Å; I118-K121 PolarHBondContact O-N 3.21Å; I118-K121 VanDerWaalsContact O-N 3.09Å; I118-D122 PolarHBondContact O-N 3.46Å
119	I	98.4	Very high	98.1	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-44.2	176.9	-62.7	161.4	0	0	0	111	I35 A37 I42 V87 S115 F116 K121 D122 L123 M172	I35-I119 HydrophobicContact CD1-CG2 3.98Å; A37-I119 HydrophobicContact CB-CD1 4.23Å; A37-I119 HydrophobicContact CB-CG1 4.03Å; I42-I119 HydrophobicContact CD1-CD1 3.85Å; V87-I119 HydrophobicContact CG2-CG2 3.89Å; S115-I119 PolarHBondContact O-N 3.44Å; F116-I119 PolarHBondContact O-N 3.25Å; I119-K121 VanDerWaalsContact C-N 3.26Å; I119-K121 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 3.09Å; I119-L123 HydrophobicContact CG2-CD1 3.74Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CG 3.28Å; I119-L123 PolarHBondContact O-N 2.97Å; I119-M172 HydrophobicContact CD1-CE 3.8Å; I119-M172 HydrophobicContact CG2-CE 4.39Å
120	K	98.5	Very high	98.1	Very high	52 Å²	52	62 Å²	62	23%	0.226	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-38.9	176.5	177.9	172.4	171.5	172.5	0	112	V87 R88 L91 D92 F116 L117 I118 S124	V87-K120 HydrophobicContact CG1-CB 3.76Å; R88-K120 HydrophobicContact CG-CD 4.45Å; L91-K120 HydrophobicContact CD1-CB 3.98Å; L91-K120 HydrophobicContact CD1-CD 3.39Å; L91-K120 HydrophobicContact CD1-CG 4.3Å; D92-K120 IonicContact OD1-NZ 3.72Å; F116-K120 WeakPolarHBondContact O-CB 3.35Å; F116-K120 PolarHBondContact O-N 3.4Å; L117-K120 PolarHBondContact O-N 2.04Å; I118-K120 VanDerWaalsContact C-N 3.33Å; I118-K120 PolarHBondContact O-N 3.42Å; K120-S124 WeakPolarHBondContact O-CB 3Å; K120-S124 PolarHBondContact O-N 2.99Å; K120-S124 PolarHBondContact O-OG 2.84Å
121	K	98.5	Very high	98	Very high	144 Å²	144	61.3 Å²	61.3	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-63.5	-48.6	179	-175.3	-177.4	174	-175.6	0	110.6	L117 I118 I119 S124 I125	L117-K121 PolarHBondContact O-N 3.43Å; I118-K121 VanDerWaalsContact O-CB 3.32Å; I118-K121 WeakPolarHBondContact O-CB 3.27Å; I118-K121 PolarHBondContact O-N 3.21Å; I118-K121 VanDerWaalsContact O-N 3.09Å; I119-K121 VanDerWaalsContact C-N 3.26Å; I119-K121 PolarHBondContact O-N 3.46Å; K121-S124 WeakPolarHBondContact O-CB 3.27Å; K121-S124 PolarHBondContact O-N 3.37Å; K121-S124 VanDerWaalsContact O-N 3.14Å; K121-I125 WeakPolarHBondContact O-CG1 3Å; K121-I125 PolarHBondContact O-N 2.98Å
122	D	98.1	Very high	98	Very high	39 Å²	39	59.8 Å²	59.8	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-41.9	-179	-67.3	-11.6	0	0	0	112	I35 I118 I119 S124 I125 C126	I35-D122 HydrophobicContact CB-CB 4.01Å; I35-D122 HydrophobicContact CG2-CB 3.69Å; I118-D122 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 3.09Å; D122-S124 PolarHBondContact O-N 3.12Å; D122-I125 WeakPolarHBondContact O-CB 3.3Å; D122-I125 PolarHBondContact O-N 3.18Å; D122-I125 VanDerWaalsContact O-N 3.1Å; D122-C126 PolarHBondContact O-N 3.08Å
123	L	98.4	Very high	97.8	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-33	173.2	-68.7	172	0	0	0	112.5	L30 I35 L83 R84 V87 I119 C126 H127	L30-L123 HydrophobicContact CD1-CD2 3.53Å; I35-L123 HydrophobicContact CD1-CD2 3.93Å; I35-L123 HydrophobicContact CD1-CG 4.07Å; I35-L123 HydrophobicContact CG2-CD2 4.45Å; L83-L123 HydrophobicContact CD2-CD1 4.23Å; L83-L123 HydrophobicContact CD2-CD2 4.43Å; L83-L123 HydrophobicContact CG-CD1 3.99Å; R84-L123 HydrophobicContact CB-CB 4.22Å; R84-L123 HydrophobicContact CB-CD1 4.19Å; R84-L123 HydrophobicContact CG-CB 4.44Å; V87-L123 HydrophobicContact CB-CD1 4.4Å; V87-L123 HydrophobicContact CG2-CD1 4.04Å; I119-L123 HydrophobicContact CG2-CD1 3.74Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CG 3.28Å; I119-L123 PolarHBondContact O-N 2.97Å; L123-C126 PolarHBondContact O-N 2.03Å; L123-H127 PolarHBondContact O-N 3.32Å
124	S	97.9	Very high	97.6	Very high	41 Å²	41	66.9 Å²	66.9	29%	0.287	34%	0.341	S	S	.	.	H	α-helix	trans	-69.4	-35.2	175.3	-61.1	0	0	0	0	111.7	K120 K121 D122 H127 S128	K120-S124 WeakPolarHBondContact O-CB 3Å; K120-S124 PolarHBondContact O-N 2.99Å; K120-S124 PolarHBondContact O-OG 2.84Å; K121-S124 WeakPolarHBondContact O-CB 3.27Å; K121-S124 PolarHBondContact O-N 3.37Å; K121-S124 VanDerWaalsContact O-N 3.14Å; D122-S124 PolarHBondContact O-N 3.12Å; S124-H127 PolarHBondContact O-N 2.85Å; S124-S128 PolarHBondContact O-N 3.38Å; S124-S128 PolarHBondContact O-OG 3.24Å
125	I	98.3	Very high	97.4	Very high	64 Å²	64	62.8 Å²	62.8	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-44.3	172.4	-65.2	166.5	0	0	0	110.6	K121 D122 H127 S128 R129	K121-I125 WeakPolarHBondContact O-CG1 3Å; K121-I125 PolarHBondContact O-N 2.98Å; D122-I125 WeakPolarHBondContact O-CB 3.3Å; D122-I125 PolarHBondContact O-N 3.18Å; D122-I125 VanDerWaalsContact O-N 3.1Å; I125-H127 VanDerWaalsContact C-N 3.29Å; I125-H127 PolarHBondContact O-N 3.12Å; I125-S128 WeakPolarHBondContact CA-OG 3.13Å; I125-S128 PolarHBondContact O-N 3.3Å; I125-S128 PolarHBondContact O-OG 3.35Å; I125-R129 HydrophobicContact CG2-CG 4.48Å; I125-R129 WeakPolarHBondContact O-CB 3.37Å; I125-R129 WeakPolarHBondContact O-CG 3.01Å; I125-R129 PolarHBondContact O-N 2.99Å
126	C	98.1	Very high	97.3	Very high	10 Å²	10	69.7 Å²	69.7	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-57.8	-43.1	174.3	-77.5	0	0	0	0	112	C33 D122 L123 R129 M130 V131 C132	C33-C126 HydrophobicContact CB-CB 3.66Å; C33-C126 WeakPolarHBondContact CB-SG 3.34Å; C33-C126 WeakPolarHBondContact SG-CB 3.46Å; C33-C126 CovalentContact SG-SG 2.03Å; C33-C126 PolarHBondContact SG-SG 2.92Å; D122-C126 PolarHBondContact O-N 3.08Å; L123-C126 PolarHBondContact O-N 2.03Å; C126-R129 PolarHBondContact O-N 3.07Å; C126-M130 PolarHBondContact O-N 3.26Å; C126-V131 HydrophobicContact CB-CG2 3.85Å; C126-V131 VanDerWaalsContact O-CG2 3.29Å; C126-V131 WeakPolarHBondContact O-CG2 3.45Å; C126-V131 PolarHBondContact O-N 3.34Å; C126-C132 HydrophobicContact CB-CB 4.09Å
127	H	96.9	Very high	97.2	Very high	75 Å²	75	72 Å²	72	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-44.6	176.4	-175.9	69.9	0	0	0	112.6	R84 L123 S124 I125 R129 M130 C132	R84-H127 PolarHBondContact NH2-CD2 2.85Å; R84-H127 PolarHBondContact NH2-NE2 2.71Å; L123-H127 PolarHBondContact O-N 3.32Å; S124-H127 PolarHBondContact O-N 2.85Å; I125-H127 VanDerWaalsContact C-N 3.29Å; I125-H127 PolarHBondContact O-N 3.12Å; H127-R129 PolarHBondContact O-N 2.93Å; H127-M130 PolarHBondContact O-N 3.45Å; H127-C132 HydrophobicContact CB-CB 4.17Å
128	S	97.6	Very high	97.1	Very high	86 Å²	86	68.1 Å²	68.1	60%	0.601	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-26.5	177.6	62.9	0	0	0	0	113.4	S124 I125 M130	S124-S128 PolarHBondContact O-N 3.38Å; S124-S128 PolarHBondContact O-OG 3.24Å; I125-S128 WeakPolarHBondContact CA-OG 3.13Å; I125-S128 PolarHBondContact O-N 3.3Å; I125-S128 PolarHBondContact O-OG 3.35Å; S128-M130 VanDerWaalsContact C-N 3.28Å
129	R	97.8	Very high	97.1	Very high	185 Å²	185	66 Å²	66	70%	0.698	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	4.8	175.4	-70	-179.6	-180	179.7	1	113.5	I125 C126 H127 V131	I125-R129 HydrophobicContact CG2-CG 4.48Å; I125-R129 WeakPolarHBondContact O-CB 3.37Å; I125-R129 WeakPolarHBondContact O-CG 3.01Å; I125-R129 PolarHBondContact O-N 2.99Å; C126-R129 PolarHBondContact O-N 3.07Å; H127-R129 PolarHBondContact O-N 2.93Å; R129-V131 HydrophobicContact CB-CG2 4.16Å; R129-V131 PolarHBondContact O-N 3.39Å
130	M	96.7	Very high	97	Very high	166 Å²	166	71.9 Å²	71.9	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	23.4	-178.2	-54	-62.7	-174.4	0	0	114.3	C126 H127 S128	C126-M130 PolarHBondContact O-N 3.26Å; H127-M130 PolarHBondContact O-N 3.45Å; S128-M130 VanDerWaalsContact C-N 3.28Å
131	V	97.4	Very high	96.9	Very high	53 Å²	53	70.4 Å²	70.4	32%	0.321	35%	0.349	S	S	.	.			trans	-101.7	14.3	175.5	-61.1	0	0	0	0	112.6	C33 C126 R129	C33-V131 HydrophobicContact CB-CG2 4.35Å; C33-V131 PolarHBondContact N-O 3.03Å; C126-V131 HydrophobicContact CB-CG2 3.85Å; C126-V131 VanDerWaalsContact O-CG2 3.29Å; C126-V131 WeakPolarHBondContact O-CG2 3.45Å; C126-V131 PolarHBondContact O-N 3.34Å; R129-V131 HydrophobicContact CB-CG2 4.16Å; R129-V131 PolarHBondContact O-N 3.39Å
132	C	97.2	Very high	96.8	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.054	32%	0.323	C	S	.	.	S	Bend	trans	-126.5	81.1	177.5	-162.5	0	0	0	0	108.9	C80 C126 H127	C80-C132 HydrophobicContact CB-CB 3.97Å; C80-C132 WeakPolarHBondContact CB-SG 3.4Å; C80-C132 WeakPolarHBondContact SG-CB 3.47Å; C80-C132 CovalentContact SG-SG 2.03Å; C80-C132 PolarHBondContact SG-SG 3.44Å; C126-C132 HydrophobicContact CB-CB 4.09Å; H127-C132 HydrophobicContact CB-CB 4.17Å
133	H	94.1	Very high	96.8	Very high	115 Å²	115	66.8 Å²	66.8	53%	0.532	34%	0.335	S	S	.	.			trans	-70.8	139.7	178.9	-178.8	71.5	0	0	0	110.5	D78 C81 G135	D78-H133 IonicContact OD1-CD2 3.4Å; D78-H133 PolarHBondContact OD1-CD2 3.2Å; C81-H133 WeakPolarHBondContact CB-O 3.06Å; H133-G135 PolarHBondContact CD2-N 3.32Å
134	C	95.3	Very high	96.7	Very high	51 Å²	51	70 Å²	70	35%	0.345	35%	0.35	S	S	.	.			trans	-113.4	87.5	175.1	-77.1	0	0	0	0	109.7	C81	C81-C134 HydrophobicContact CB-CB 3.86Å; C81-C134 WeakPolarHBondContact CB-SG 3.31Å; C81-C134 WeakPolarHBondContact SG-CA 2.98Å; C81-C134 WeakPolarHBondContact SG-CB 3.09Å; C81-C134 CovalentContact SG-SG 2.04Å; C81-C134 PolarHBondContact SG-SG 3Å
135	G	94.4	Very high	96.7	Very high	11 Å²	11	68 Å²	68	11%	0.113	34%	0.336	C	S	.	.			trans	-76.1	171	171	0	0	0	0	0	113.1	D78 H133 E137 A138 M139	D78-G135 VanDerWaalsContact OD1-CA 3.3Å; D78-G135 WeakPolarHBondContact OD1-CA 3.35Å; D78-G135 PolarHBondContact OD1-N 3.45Å; H133-G135 PolarHBondContact CD2-N 3.32Å; G135-E137 PolarHBondContact O-N 3.38Å; G135-A138 PolarHBondContact O-N 3.14Å; G135-M139 PolarHBondContact O-N 3Å
136	E	96	Very high	96.7	Very high	171 Å²	171	66.9 Å²	66.9	80%	0.799	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-33.9	178.5	-172.9	179.7	-179.6	0	0	112.3	M139 K140	E136-M139 PolarHBondContact O-N 3.1Å; E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.39Å; E136-K140 PolarHBondContact O-N 3.31Å
137	E	95.3	Very high	96.6	Very high	50 Å²	50	68.5 Å²	68.5	23%	0.234	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-43.6	-177.9	-165.3	-178	150.6	0	0	112.3	I74 K75 G135 M139 K140 K141	I74-E137 WeakPolarHBondContact CA-OE1 3.4Å; I74-E137 HydrophobicContact CG1-CG 4Å; I74-E137 WeakPolarHBondContact CG1-OE1 3.34Å; K75-E137 WeakPolarHBondContact CD-OE2 3.5Å; K75-E137 WeakPolarHBondContact CE-OE2 3.36Å; K75-E137 WeakPolarHBondContact CG-OE2 3.34Å; K75-E137 PolarHBondContact N-OE1 3.41Å; K75-E137 IonicContact NZ-OE2 3.68Å; G135-E137 PolarHBondContact O-N 3.38Å; E137-M139 VanDerWaalsContact C-N 3.33Å; E137-M139 PolarHBondContact O-N 3.26Å; E137-K140 PolarHBondContact O-N 3.37Å; E137-K141 PolarHBondContact O-N 3.33Å
138	A	96.4	Very high	96.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-46.2	173.6	0	0	0	0	0	111.8	I74 D78 C81 F82 G135 Y142	I74-A138 HydrophobicContact CD1-CB 4.02Å; D78-A138 HydrophobicContact CB-CB 3.99Å; C81-A138 HydrophobicContact CB-CB 3.98Å; F82-A138 HydrophobicContact CB-CB 4.06Å; G135-A138 PolarHBondContact O-N 3.14Å; A138-Y142 VanDerWaalsContact O-CB 3.3Å; A138-Y142 WeakPolarHBondContact O-CB 2.93Å; A138-Y142 PolarHBondContact O-N 3.32Å
139	M	97.1	Very high	96.7	Very high	62 Å²	62	62.5 Å²	62.5	31%	0.305	30%	0.304	S	S	.	.	H	α-helix	trans	-69.4	-38.9	-179	-66.3	-51.6	-54.5	0	0	111.8	G135 E136 E137 Y142 N143	G135-M139 PolarHBondContact O-N 3Å; E136-M139 PolarHBondContact O-N 3.1Å; E137-M139 VanDerWaalsContact C-N 3.33Å; E137-M139 PolarHBondContact O-N 3.26Å; M139-Y142 HydrophobicContact CE-CD1 4.23Å; M139-Y142 PolarHBondContact O-N 2.68Å; M139-N143 WeakPolarHBondContact O-CB 3.47Å; M139-N143 PolarHBondContact O-N 2.69Å; M139-N143 PolarHBondContact O-ND2 3.22Å
140	K	96.4	Very high	96.6	Very high	125 Å²	125	58.1 Å²	58.1	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-50.7	176	-177	177.5	178.3	180	0	111.5	E136 E137 Y142 N143 H144	E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.39Å; E136-K140 PolarHBondContact O-N 3.31Å; E137-K140 PolarHBondContact O-N 3.37Å; K140-Y142 VanDerWaalsContact C-N 3.34Å; K140-Y142 PolarHBondContact O-N 3.32Å; K140-N143 PolarHBondContact O-N 2.88Å; K140-H144 PolarHBondContact O-CD2 3.25Å; K140-H144 PolarHBondContact O-N 3.44Å
141	K	96.6	Very high	96.6	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-42.5	176.9	-76.7	-173.4	165.3	-173.7	0	111.6	T68 E69 S70 D73 I74 F82 E137 N143 H144 V145	T68-K141 WeakPolarHBondContact O-CE 3.43Å; E69-K141 HydrophobicContact CB-CB 4.46Å; E69-K141 HydrophobicContact CG-CB 4.39Å; E69-K141 HydrophobicContact CG-CG 4.45Å; S70-K141 PolarHBondContact O-NZ 2.95Å; S70-K141 VanDerWaalsContact O-NZ 3.14Å; D73-K141 PolarHBondContact O-NZ 3.48Å; I74-K141 HydrophobicContact CB-CD 4.28Å; I74-K141 HydrophobicContact CD1-CD 4.18Å; I74-K141 HydrophobicContact CG1-CD 4.16Å; F82-K141 HydrophobicContact CD2-CB 4.26Å; F82-K141 HydrophobicContact CE2-CB 3.89Å; F82-K141 HydrophobicContact CZ-CB 4.06Å; E137-K141 PolarHBondContact O-N 3.33Å; K141-N143 VanDerWaalsContact C-N 3.33Å; K141-N143 PolarHBondContact O-N 2.88Å; K141-H144 PolarHBondContact O-N 3.09Å; K141-V145 PolarHBondContact O-N 3.05Å; K141-V145 VanDerWaalsContact O-N 3.16Å
142	Y	97.8	Very high	96.6	Very high	22 Å²	22	53.6 Å²	53.6	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-40.4	174.8	178.3	-115.8	0	0	0	112.9	H85 F89 A138 M139 K140 H144 V145 L146	H85-Y142 HydrophobicContact CB-CD1 4.04Å; H85-Y142 HydrophobicContact CB-CD2 3.56Å; H85-Y142 HydrophobicContact CB-CE1 4.22Å; H85-Y142 HydrophobicContact CB-CE2 3.77Å; H85-Y142 HydrophobicContact CB-CG 3.69Å; H85-Y142 AromaticContact ND1-CD1 3.84Å; H85-Y142 AromaticContact ND1-CE1 3.66Å; F89-Y142 HydrophobicContact CB-CE2 3.97Å; A138-Y142 VanDerWaalsContact O-CB 3.3Å; A138-Y142 WeakPolarHBondContact O-CB 2.93Å; A138-Y142 PolarHBondContact O-N 3.32Å; M139-Y142 HydrophobicContact CE-CD1 4.23Å; M139-Y142 PolarHBondContact O-N 2.68Å; K140-Y142 VanDerWaalsContact C-N 3.34Å; K140-Y142 PolarHBondContact O-N 3.32Å; Y142-H144 VanDerWaalsContact C-N 3.31Å; Y142-H144 PolarHBondContact O-N 3.38Å; Y142-V145 WeakPolarHBondContact O-CB 3.38Å; Y142-V145 PolarHBondContact O-N 3.4Å; Y142-L146 PolarHBondContact O-N 3.24Å
143	N	97.3	Very high	96.5	Very high	84 Å²	84	60.1 Å²	60.1	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-32.6	178	-71.7	-19.9	0	0	0	112.3	M139 K140 K141 L146 S147	M139-N143 WeakPolarHBondContact O-CB 3.47Å; M139-N143 PolarHBondContact O-N 2.69Å; M139-N143 PolarHBondContact O-ND2 3.22Å; K140-N143 PolarHBondContact O-N 2.88Å; K141-N143 VanDerWaalsContact C-N 3.33Å; K141-N143 PolarHBondContact O-N 2.88Å; N143-L146 PolarHBondContact O-N 3.06Å; N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.42Å; N143-S147 PolarHBondContact O-OG 3.17Å
144	H	97	Very high	96.6	Very high	69 Å²	69	63.6 Å²	63.6	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-44.9	171.2	-64.4	175.8	0	0	0	111.8	E69 K140 K141 Y142 L146 S147 H148	E69-H144 HydrophobicContact CG-CB 4.09Å; E69-H144 IonicContact OE1-ND1 3.93Å; K140-H144 PolarHBondContact O-CD2 3.25Å; K140-H144 PolarHBondContact O-N 3.44Å; K141-H144 PolarHBondContact O-N 3.09Å; Y142-H144 VanDerWaalsContact C-N 3.31Å; Y142-H144 PolarHBondContact O-N 3.38Å; H144-L146 VanDerWaalsContact C-N 3.26Å; H144-L146 PolarHBondContact O-N 3.14Å; H144-S147 WeakPolarHBondContact CA-OG 3.32Å; H144-S147 PolarHBondContact O-N 3.5Å; H144-S147 PolarHBondContact O-OG 3.31Å; H144-H148 PolarHBondContact O-CD2 3.02Å; H144-H148 PolarHBondContact O-N 3.33Å
145	V	97.6	Very high	96.6	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-44.6	174.1	172	0	0	0	0	110.4	I64 L65 E69 F82 L86 K141 Y142 F149	I64-V145 HydrophobicContact CG2-CG1 3.96Å; L65-V145 HydrophobicContact CD2-CG1 3.85Å; L65-V145 HydrophobicContact CD2-CG2 4.06Å; E69-V145 HydrophobicContact CB-CG2 4.35Å; E69-V145 HydrophobicContact CG-CG2 4.41Å; F82-V145 HydrophobicContact CZ-CG2 4.46Å; L86-V145 HydrophobicContact CD2-CG1 4.04Å; L86-V145 HydrophobicContact CD2-CG2 4.27Å; K141-V145 PolarHBondContact O-N 3.05Å; K141-V145 VanDerWaalsContact O-N 3.16Å; Y142-V145 WeakPolarHBondContact O-CB 3.38Å; Y142-V145 PolarHBondContact O-N 3.4Å; V145-F149 WeakPolarHBondContact O-CB 3.12Å; V145-F149 PolarHBondContact O-N 3.24Å
146	L	97.9	Very high	96.7	Very high	39 Å²	39	67 Å²	67	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-40.6	178.2	-173.6	61.5	0	0	0	112.1	Y142 N143 H144 F149 T150	Y142-L146 PolarHBondContact O-N 3.24Å; N143-L146 PolarHBondContact O-N 3.06Å; H144-L146 VanDerWaalsContact C-N 3.26Å; H144-L146 PolarHBondContact O-N 3.14Å; L146-F149 PolarHBondContact O-N 3.39Å; L146-T150 HydrophobicContact CD1-CG2 4.37Å; L146-T150 WeakPolarHBondContact O-CG2 3.46Å; L146-T150 PolarHBondContact O-N 3.2Å; L146-T150 PolarHBondContact O-OG1 3.25Å; L146-T150 VanDerWaalsContact O-OG1 3.12Å
147	S	97.1	Very high	96.8	Very high	45 Å²	45	59 Å²	59	32%	0.315	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-46.4	179	63.3	0	0	0	0	111.2	N143 H144 F149 T150 E151	N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.42Å; N143-S147 PolarHBondContact O-OG 3.17Å; H144-S147 WeakPolarHBondContact CA-OG 3.32Å; H144-S147 PolarHBondContact O-N 3.5Å; H144-S147 PolarHBondContact O-OG 3.31Å; S147-F149 VanDerWaalsContact C-N 3.32Å; S147-F149 PolarHBondContact O-N 3.14Å; S147-T150 WeakPolarHBondContact CA-OG1 3.46Å; S147-T150 CarbonylContact O-C 3.54Å; S147-T150 PolarHBondContact O-N 3Å; S147-T150 PolarHBondContact O-OG1 3.17Å; S147-E151 WeakPolarHBondContact O-CG 3.35Å; S147-E151 PolarHBondContact O-N 3.44Å; S147-E151 VanDerWaalsContact O-N 3.07Å
148	H	97	Very high	97	Very high	16 Å²	16	56.6 Å²	56.6	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-37.3	177.7	-62	-35.2	0	0	0	112.5	I64 R66 H144 T150 E151	I64-H148 HydrophobicContact CG1-CB 4.45Å; R66-H148 VanDerWaalsContact CZ-NE2 3.28Å; R66-H148 PolarHBondContact NE-NE2 3Å; R66-H148 VanDerWaalsContact NE-NE2 3.19Å; R66-H148 PolarHBondContact NH2-CE1 3.5Å; R66-H148 VanDerWaalsContact NH2-CE1 3.29Å; H144-H148 PolarHBondContact O-CD2 3.02Å; H144-H148 PolarHBondContact O-N 3.33Å; H148-T150 VanDerWaalsContact C-N 3.3Å; H148-T150 PolarHBondContact O-N 3.42Å; H148-E151 IonicContact CE1-OE1 2.69Å; H148-E151 IonicContact CG-OE1 3.97Å; H148-E151 IonicContact ND1-OE1 3.87Å; H148-E151 PolarHBondContact ND1-OE1 2.97Å; H148-E151 IonicContact ND1-OE2 2.85Å; H148-E151 PolarHBondContact O-N 3.44Å
149	F	97.7	Very high	97.1	Very high	18 Å²	18	57.3 Å²	57.3	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-36.5	172.8	-179.3	-91.8	0	0	0	112.2	I64 F89 R93 V94 V145 L146 S147 A157 V158 A161	I64-F149 HydrophobicContact CD1-CB 4.41Å; I64-F149 HydrophobicContact CD1-CD2 4Å; I64-F149 HydrophobicContact CG2-CB 4.27Å; F89-F149 HydrophobicContact CE2-CB 3.91Å; F89-F149 HydrophobicContact CE2-CD1 4.05Å; F89-F149 AromaticContact CE2-CD2 3.63Å; F89-F149 HydrophobicContact CE2-CD2 3.63Å; F89-F149 HydrophobicContact CE2-CE2 4.12Å; F89-F149 AromaticContact CE2-CG 3.58Å; F89-F149 HydrophobicContact CE2-CG 3.58Å; F89-F149 HydrophobicContact CZ-CB 4.12Å; F89-F149 AromaticContact CZ-CD2 3.38Å; F89-F149 HydrophobicContact CZ-CD2 3.38Å; F89-F149 AromaticContact CZ-CE2 3.89Å; F89-F149 HydrophobicContact CZ-CE2 3.89Å; F89-F149 AromaticContact CZ-CG 3.8Å; F89-F149 HydrophobicContact CZ-CG 3.8Å; R93-F149 HydrophobicContact CB-CE1 4.41Å; R93-F149 HydrophobicContact CB-CZ 4.2Å; V94-F149 HydrophobicContact CG2-CE2 4.39Å; V145-F149 WeakPolarHBondContact O-CB 3.12Å; V145-F149 PolarHBondContact O-N 3.24Å; L146-F149 PolarHBondContact O-N 3.39Å; S147-F149 VanDerWaalsContact C-N 3.32Å; S147-F149 PolarHBondContact O-N 3.14Å; F149-A157 HydrophobicContact CD1-CB 4.36Å; F149-A157 HydrophobicContact CD2-CB 3.78Å; F149-A157 HydrophobicContact CE1-CB 4.18Å; F149-A157 HydrophobicContact CE2-CB 3.59Å; F149-A157 WeakPolarHBondContact CE2-O 3.19Å; F149-A157 HydrophobicContact CG-CB 4.18Å; F149-A157 HydrophobicContact CZ-CB 3.8Å; F149-A157 VanDerWaalsContact O-CB 3.3Å; F149-A157 WeakPolarHBondContact O-CB 3.12Å; F149-V158 HydrophobicContact CE2-CG2 4.3Å; F149-V158 HydrophobicContact CZ-CG2 3.99Å; F149-A161 HydrophobicContact CD2-CB 4.12Å; F149-A161 HydrophobicContact CE2-CB 4.11Å
150	T	96.8	Very high	97.1	Very high	94 Å²	94	54.5 Å²	54.5	58%	0.577	26%	0.26	S	S	*	.	H	α-helix	trans	-83	-8	-179.3	55.6	0	0	0	0	114.8	L146 S147 H148	L146-T150 HydrophobicContact CD1-CG2 4.37Å; L146-T150 WeakPolarHBondContact O-CG2 3.46Å; L146-T150 PolarHBondContact O-N 3.2Å; L146-T150 PolarHBondContact O-OG1 3.25Å; L146-T150 VanDerWaalsContact O-OG1 3.12Å; S147-T150 WeakPolarHBondContact CA-OG1 3.46Å; S147-T150 CarbonylContact O-C 3.54Å; S147-T150 PolarHBondContact O-N 3Å; S147-T150 PolarHBondContact O-OG1 3.17Å; H148-T150 VanDerWaalsContact C-N 3.3Å; H148-T150 PolarHBondContact O-N 3.42Å
151	E	96.1	Very high	97.2	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.7	172.6	-75.5	164.6	-143.9	0	0	112	S147 H148	S147-E151 WeakPolarHBondContact O-CG 3.35Å; S147-E151 PolarHBondContact O-N 3.44Å; S147-E151 VanDerWaalsContact O-N 3.07Å; H148-E151 IonicContact CE1-OE1 2.69Å; H148-E151 IonicContact CG-OE1 3.97Å; H148-E151 IonicContact ND1-OE1 3.87Å; H148-E151 PolarHBondContact ND1-OE1 2.97Å; H148-E151 IonicContact ND1-OE2 2.85Å; H148-E151 PolarHBondContact O-N 3.44Å
152	L	96.9	Very high	97.3	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.089	23%	0.23	C	C	.	.	S	Bend	trans	-98.7	157.8	-175.9	-66.5	172.7	0	0	0	112.3	N59 I62 I64 E156 A157 K160	N59-L152 HydrophobicContact CB-CD2 3.98Å; I62-L152 HydrophobicContact CD1-CD2 3.53Å; I62-L152 HydrophobicContact CD1-CG 4.29Å; I62-L152 HydrophobicContact CG2-CD1 4.11Å; I62-L152 HydrophobicContact CG2-CD2 4.5Å; I62-L152 HydrophobicContact CG2-CG 4.34Å; I64-L152 HydrophobicContact CD1-CD1 4.29Å; L152-E156 HydrophobicContact CB-CB 4.38Å; L152-A157 HydrophobicContact CB-CB 3.78Å; L152-A157 HydrophobicContact CD1-CB 4.49Å; L152-K160 HydrophobicContact CD1-CB 4.29Å; L152-K160 HydrophobicContact CD1-CD 3.53Å; L152-K160 HydrophobicContact CD1-CG 4.5Å
153	E	96.1	Very high	97.3	Very high	145 Å²	145	46.6 Å²	46.6	68%	0.678	23%	0.227	S	C	*	.			trans	-62.8	153.4	167.9	-67.5	-154.8	166.3	0	0	110.9	Q155 E156 A157	E153-Q155 VanDerWaalsContact C-N 3.33Å; E153-Q155 PolarHBondContact O-N 2.67Å; E153-Q155 VanDerWaalsContact O-N 3.15Å; E153-E156 HydrophobicContact CB-CG 4.28Å; E153-E156 PolarHBondContact O-N 3.49Å; E153-A157 WeakPolarHBondContact O-CB 3.5Å; E153-A157 PolarHBondContact O-N 2.96Å
154	R	95.5	Very high	97.4	Very high	188 Å²	188	43.4 Å²	43.4	71%	0.709	21%	0.209	S	C	*	.	H	α-helix	trans	-52.9	-46.7	-168	-174.2	-173.7	-60.7	135.3	3.9	113.3	V158	R154-V158 WeakPolarHBondContact O-CG2 3.35Å; R154-V158 PolarHBondContact O-N 2.88Å
155	Q	95.5	Very high	97.4	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-75.3	-41	-177.8	-75.8	-58.2	-8	0	0	112.2	F97 E153 A157 V158 V159	F97-Q155 PolarHBondContact O-NE2 3.04Å; F97-Q155 VanDerWaalsContact O-NE2 3.12Å; F97-Q155 PolarHBondContact O-OE1 3.31Å; E153-Q155 VanDerWaalsContact C-N 3.33Å; E153-Q155 PolarHBondContact O-N 2.67Å; E153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-A157 VanDerWaalsContact C-N 3.3Å; Q155-A157 PolarHBondContact O-N 3.31Å; Q155-V158 PolarHBondContact O-N 3.32Å; Q155-V158 VanDerWaalsContact O-N 3.12Å; Q155-V159 VanDerWaalsContact O-CG2 3.31Å; Q155-V159 WeakPolarHBondContact O-CG2 3.28Å; Q155-V159 PolarHBondContact O-N 3.19Å
156	E	97.4	Very high	97.4	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-44.2	174.4	-62.1	173.2	-173	0	0	111.7	N59 L152 E153 V158 V159 K160	N59-E156 PolarHBondContact ND2-OE2 2.81Å; L152-E156 HydrophobicContact CB-CB 4.38Å; E153-E156 HydrophobicContact CB-CG 4.28Å; E153-E156 PolarHBondContact O-N 3.49Å; E156-V158 VanDerWaalsContact C-N 3.29Å; E156-V158 PolarHBondContact O-N 2.83Å; E156-V159 PolarHBondContact O-N 2.03Å; E156-K160 VanDerWaalsContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CB 3.46Å; E156-K160 PolarHBondContact O-N 3.24Å
157	A	98.1	Very high	97.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-41	176.9	0	0	0	0	0	112.1	F149 L152 E153 Q155 A161	F149-A157 HydrophobicContact CD1-CB 4.36Å; F149-A157 HydrophobicContact CD2-CB 3.78Å; F149-A157 HydrophobicContact CE1-CB 4.18Å; F149-A157 HydrophobicContact CE2-CB 3.59Å; F149-A157 WeakPolarHBondContact CE2-O 3.19Å; F149-A157 HydrophobicContact CG-CB 4.18Å; F149-A157 HydrophobicContact CZ-CB 3.8Å; F149-A157 VanDerWaalsContact O-CB 3.3Å; F149-A157 WeakPolarHBondContact O-CB 3.12Å; L152-A157 HydrophobicContact CB-CB 3.78Å; L152-A157 HydrophobicContact CD1-CB 4.49Å; E153-A157 WeakPolarHBondContact O-CB 3.5Å; E153-A157 PolarHBondContact O-N 2.96Å; Q155-A157 VanDerWaalsContact C-N 3.3Å; Q155-A157 PolarHBondContact O-N 3.31Å; A157-A161 WeakPolarHBondContact O-CB 3.31Å; A157-A161 PolarHBondContact O-N 3.32Å
158	V	98.3	Very high	97.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-72.4	-46.1	-178.6	171.2	0	0	0	0	111.4	R93 V94 F97 Y98 F149 R154 Q155 E156 A161 L162	R93-V158 WeakPolarHBondContact O-CG2 3.37Å; V94-V158 HydrophobicContact CG1-CG1 4.36Å; V94-V158 WeakPolarHBondContact O-CG1 3.43Å; F97-V158 HydrophobicContact CB-CG1 4.49Å; F97-V158 HydrophobicContact CB-CG2 3.93Å; Y98-V158 VanDerWaalsContact CA-CG1 3.46Å; Y98-V158 HydrophobicContact CD2-CG1 4.15Å; Y98-V158 HydrophobicContact CG-CG1 4.43Å; F149-V158 HydrophobicContact CE2-CG2 4.3Å; F149-V158 HydrophobicContact CZ-CG2 3.99Å; R154-V158 WeakPolarHBondContact O-CG2 3.35Å; R154-V158 PolarHBondContact O-N 2.88Å; Q155-V158 PolarHBondContact O-N 3.32Å; Q155-V158 VanDerWaalsContact O-N 3.12Å; E156-V158 VanDerWaalsContact C-N 3.29Å; E156-V158 PolarHBondContact O-N 2.83Å; V158-A161 PolarHBondContact O-N 3.43Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 3.25Å
159	V	98.3	Very high	97.4	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-51.4	174.7	171.2	0	0	0	0	109.6	E56 D57 Y98 Q155 E156 A161 L162 G163	E56-V159 HydrophobicContact CB-CG1 3.62Å; D57-V159 HydrophobicContact CB-CG1 4.26Å; Y98-V159 HydrophobicContact CD2-CG2 4.31Å; Y98-V159 HydrophobicContact CE2-CG2 3.99Å; Q155-V159 VanDerWaalsContact O-CG2 3.31Å; Q155-V159 WeakPolarHBondContact O-CG2 3.28Å; Q155-V159 PolarHBondContact O-N 3.19Å; E156-V159 PolarHBondContact O-N 2.03Å; V159-A161 PolarHBondContact O-N 3.3Å; V159-L162 PolarHBondContact O-N 3.49Å; V159-G163 PolarHBondContact O-N 3.15Å
160	K	98.5	Very high	97.3	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-51.1	178	179.2	173.5	-63.8	-62.7	0	112.4	D57 N59 I62 I64 L152 E156 L162 G163 E164	D57-K160 WeakPolarHBondContact OD1-CE 3.47Å; D57-K160 IonicContact OD1-NZ 3.85Å; D57-K160 PolarHBondContact OD1-NZ 3.36Å; D57-K160 IonicContact OD2-NZ 3.71Å; D57-K160 PolarHBondContact OD2-NZ 3.28Å; N59-K160 VanDerWaalsContact CB-CE 3.49Å; N59-K160 VanDerWaalsContact O-CE 3.29Å; N59-K160 WeakPolarHBondContact O-CE 3.43Å; N59-K160 PolarHBondContact O-NZ 3.12Å; I62-K160 HydrophobicContact CG2-CD 4.28Å; I62-K160 VanDerWaalsContact O-CD 3.31Å; I62-K160 WeakPolarHBondContact O-CD 3.38Å; I62-K160 WeakPolarHBondContact O-CE 3.07Å; I62-K160 PolarHBondContact O-NZ 2.86Å; I64-K160 HydrophobicContact CD1-CB 4Å; I64-K160 HydrophobicContact CD1-CD 3.73Å; I64-K160 HydrophobicContact CD1-CG 3.7Å; I64-K160 HydrophobicContact CG1-CD 3.72Å; I64-K160 HydrophobicContact CG1-CG 4.09Å; L152-K160 HydrophobicContact CD1-CB 4.29Å; L152-K160 HydrophobicContact CD1-CD 3.53Å; L152-K160 HydrophobicContact CD1-CG 4.5Å; E156-K160 VanDerWaalsContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CB 3.46Å; E156-K160 PolarHBondContact O-N 3.24Å; K160-L162 VanDerWaalsContact C-N 3.25Å; K160-L162 PolarHBondContact O-N 3.01Å; K160-G163 PolarHBondContact O-N 2.93Å; K160-G163 VanDerWaalsContact O-N 3.13Å; K160-E164 HydrophobicContact CG-CG 4.4Å; K160-E164 WeakPolarHBondContact O-CB 3.41Å; K160-E164 WeakPolarHBondContact O-CG 3.29Å; K160-E164 PolarHBondContact O-N 3Å
161	A	98.4	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-36	-178.9	0	0	0	0	0	112.1	I64 F89 Y90 V94 F149 A157 V158 V159 E164 L165	I64-A161 HydrophobicContact CD1-CB 4.01Å; F89-A161 HydrophobicContact CE1-CB 4.2Å; F89-A161 HydrophobicContact CZ-CB 4.15Å; Y90-A161 WeakPolarHBondContact CE1-O 3.42Å; Y90-A161 PolarHBondContact OH-O 3.27Å; V94-A161 HydrophobicContact CG1-CB 4.1Å; V94-A161 HydrophobicContact CG2-CB 3.61Å; F149-A161 HydrophobicContact CD2-CB 4.12Å; F149-A161 HydrophobicContact CE2-CB 4.11Å; A157-A161 WeakPolarHBondContact O-CB 3.31Å; A157-A161 PolarHBondContact O-N 3.32Å; V158-A161 PolarHBondContact O-N 3.43Å; V159-A161 PolarHBondContact O-N 3.3Å; A161-E164 PolarHBondContact O-N 3.47Å; A161-L165 PolarHBondContact O-N 3.19Å
162	L	98.6	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.3	-44.1	174.1	-174.6	60.8	0	0	0	111.5	F46 V53 V94 F95 Y98 V158 V159 K160 E164 L165	F46-L162 VanDerWaalsContact CE2-O 3.3Å; F46-L162 WeakPolarHBondContact CE2-O 3.44Å; F46-L162 WeakPolarHBondContact CZ-O 3.28Å; V53-L162 HydrophobicContact CG1-CB 3.98Å; V53-L162 HydrophobicContact CG1-CD2 4.04Å; V53-L162 HydrophobicContact CG1-CG 3.92Å; V53-L162 HydrophobicContact CG2-CD2 3.95Å; V53-L162 HydrophobicContact CG2-CG 4.4Å; V94-L162 HydrophobicContact CG1-CB 3.86Å; V94-L162 HydrophobicContact CG1-CD1 4.47Å; F95-L162 HydrophobicContact CD1-CD1 4.02Å; F95-L162 HydrophobicContact CE1-CD1 3.68Å; Y98-L162 HydrophobicContact CD1-CD2 3.87Å; Y98-L162 HydrophobicContact CD2-CD2 3.56Å; Y98-L162 HydrophobicContact CE1-CD2 4.07Å; Y98-L162 HydrophobicContact CE2-CD2 3.8Å; Y98-L162 HydrophobicContact CG-CD2 3.61Å; V158-L162 WeakPolarHBondContact O-CB 3.48Å; V158-L162 PolarHBondContact O-N 3.25Å; V159-L162 PolarHBondContact O-N 3.49Å; K160-L162 VanDerWaalsContact C-N 3.25Å; K160-L162 PolarHBondContact O-N 3.01Å; L162-E164 PolarHBondContact O-N 3.32Å; L162-L165 HydrophobicContact CD1-CD2 4.39Å; L162-L165 WeakPolarHBondContact O-CB 3.2Å; L162-L165 PolarHBondContact O-N 3.11Å
163	G	98	Very high	97.2	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-25.5	175.6	0	0	0	0	0	113.6	Q54 V159 K160	Q54-G163 PolarHBondContact NE2-O 3.48Å; Q54-G163 VanDerWaalsContact NE2-O 3.09Å; V159-G163 PolarHBondContact O-N 3.15Å; K160-G163 PolarHBondContact O-N 2.93Å; K160-G163 VanDerWaalsContact O-N 3.13Å
164	E	98.3	Very high	97	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.079	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.3	174.6	-72	-173.1	-165.8	0	0	114.1	R63 I64 L65 K160 A161 L162 G166 I167	R63-E164 VanDerWaalsContact CA-OE1 3.31Å; R63-E164 WeakPolarHBondContact CA-OE1 3.3Å; I64-E164 WeakPolarHBondContact CB-OE2 2.97Å; I64-E164 PolarHBondContact N-OE1 2.96Å; I64-E164 PolarHBondContact N-OE2 3.48Å; L65-E164 WeakPolarHBondContact CB-OE2 3.39Å; L65-E164 HydrophobicContact CD1-CB 4.31Å; L65-E164 HydrophobicContact CG-CB 4.48Å; L65-E164 PolarHBondContact N-OE2 3.26Å; K160-E164 HydrophobicContact CG-CG 4.4Å; K160-E164 WeakPolarHBondContact O-CB 3.41Å; K160-E164 WeakPolarHBondContact O-CG 3.29Å; K160-E164 PolarHBondContact O-N 3Å; A161-E164 PolarHBondContact O-N 3.47Å; L162-E164 PolarHBondContact O-N 3.32Å; E164-G166 PolarHBondContact O-N 3.29Å; E164-G166 VanDerWaalsContact O-N 3.08Å; E164-I167 HydrophobicContact CB-CD1 3.99Å; E164-I167 HydrophobicContact CG-CD1 3.93Å; E164-I167 VanDerWaalsContact O-CB 3.27Å; E164-I167 WeakPolarHBondContact O-CB 3.5Å; E164-I167 PolarHBondContact O-N 3.32Å
165	L	98.3	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-54.6	-33.3	-179.2	177.3	60.3	0	0	0	112.7	F46 Y90 F95 L112 F116 A161 L162 I167 L168 L169	F46-L165 HydrophobicContact CB-CD2 4.42Å; F46-L165 HydrophobicContact CD1-CB 4.5Å; F46-L165 HydrophobicContact CD2-CB 4.3Å; F46-L165 HydrophobicContact CD2-CD2 3.76Å; F46-L165 HydrophobicContact CD2-CG 4.38Å; F46-L165 HydrophobicContact CE1-CB 4.08Å; F46-L165 HydrophobicContact CE2-CB 3.87Å; F46-L165 HydrophobicContact CE2-CD2 4.14Å; F46-L165 HydrophobicContact CE2-CG 4.45Å; F46-L165 HydrophobicContact CG-CD2 4.01Å; F46-L165 HydrophobicContact CG-CG 4.41Å; F46-L165 HydrophobicContact CZ-CB 3.75Å; Y90-L165 HydrophobicContact CD1-CD1 4.19Å; Y90-L165 HydrophobicContact CE1-CB 4.2Å; Y90-L165 HydrophobicContact CE1-CD1 3.88Å; F95-L165 HydrophobicContact CE1-CD2 4.3Å; F95-L165 HydrophobicContact CZ-CD2 4.28Å; L112-L165 HydrophobicContact CD1-CD2 4.05Å; L112-L165 HydrophobicContact CD2-CD2 4.37Å; F116-L165 HydrophobicContact CE1-CD1 4.29Å; F116-L165 HydrophobicContact CE2-CD1 3.98Å; F116-L165 HydrophobicContact CZ-CD1 3.46Å; F116-L165 VanDerWaalsContact CZ-CD1 3.46Å; A161-L165 PolarHBondContact O-N 3.19Å; L162-L165 HydrophobicContact CD1-CD2 4.39Å; L162-L165 WeakPolarHBondContact O-CB 3.2Å; L162-L165 PolarHBondContact O-N 3.11Å; L165-I167 PolarHBondContact O-N 3.09Å; L165-L168 HydrophobicContact CD1-CD2 4.31Å; L165-L168 PolarHBondContact O-N 3.32Å; L165-L168 VanDerWaalsContact O-N 3.12Å; L165-L169 HydrophobicContact CD1-CG 4.41Å; L165-L169 HydrophobicContact CG-CD1 4.24Å; L165-L169 HydrophobicContact CG-CG 4.35Å; L165-L169 WeakPolarHBondContact O-CG 3.39Å; L165-L169 PolarHBondContact O-N 2.99Å
166	G	97.1	Very high	96.5	Very high	25 Å²	25	26.2 Å²	26.2	26%	0.258	13%	0.129	S	C	.	.	H	α-helix	trans	-60.2	-27.3	174.9	0	0	0	0	0	114.1	F46 E164 R170	F46-G166 VanDerWaalsContact CE1-N 3.27Å; E164-G166 PolarHBondContact O-N 3.29Å; E164-G166 VanDerWaalsContact O-N 3.08Å; G166-R170 PolarHBondContact O-N 3.14Å; G166-R170 VanDerWaalsContact O-N 3.17Å
167	I	97	Very high	96.5	Very high	20 Å²	20	23.8 Å²	23.8	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-70.3	-47	173.9	-61.9	164.6	0	0	0	109.7	L65 E164 L165 L169 R170 W171	L65-I167 HydrophobicContact CB-CB 4.37Å; L65-I167 HydrophobicContact CB-CD1 4.43Å; L65-I167 HydrophobicContact CB-CG2 3.94Å; L65-I167 HydrophobicContact CD1-CB 4.2Å; L65-I167 HydrophobicContact CD1-CG2 4.36Å; E164-I167 HydrophobicContact CB-CD1 3.99Å; E164-I167 HydrophobicContact CG-CD1 3.93Å; E164-I167 VanDerWaalsContact O-CB 3.27Å; E164-I167 WeakPolarHBondContact O-CB 3.5Å; E164-I167 PolarHBondContact O-N 3.32Å; L165-I167 PolarHBondContact O-N 3.09Å; I167-L169 VanDerWaalsContact C-N 3.33Å; I167-L169 PolarHBondContact O-N 2.86Å; I167-R170 WeakPolarHBondContact O-CB 3.24Å; I167-R170 PolarHBondContact O-N 2.8Å; I167-W171 HydrophobicContact CG2-CD2 4.27Å; I167-W171 HydrophobicContact CG2-CZ2 3.77Å; I167-W171 PolarHBondContact O-N 2.84Å
168	L	97.8	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.8	175.6	58.5	0	0	0	111.5	L65 L83 L86 Y90 F116 L165 R170 W171 M172	L65-L168 HydrophobicContact CD1-CB 3.95Å; L83-L168 HydrophobicContact CD1-CD1 4.11Å; L86-L168 HydrophobicContact CB-CD1 4.34Å; L86-L168 HydrophobicContact CD1-CD1 3.77Å; Y90-L168 HydrophobicContact CD2-CD2 3.6Å; Y90-L168 HydrophobicContact CE2-CB 4.48Å; Y90-L168 HydrophobicContact CE2-CD2 3.47Å; Y90-L168 VanDerWaalsContact CE2-CD2 3.47Å; Y90-L168 HydrophobicContact CG-CD2 4.45Å; F116-L168 HydrophobicContact CE1-CD2 3.73Å; F116-L168 HydrophobicContact CZ-CD2 3.9Å; L165-L168 HydrophobicContact CD1-CD2 4.31Å; L165-L168 PolarHBondContact O-N 3.32Å; L165-L168 VanDerWaalsContact O-N 3.12Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.1Å; L168-W171 HydrophobicContact CD1-CE3 4.23Å; L168-W171 WeakPolarHBondContact O-CB 3.44Å; L168-W171 PolarHBondContact O-N 3.23Å; L168-M172 HydrophobicContact CD1-CG 4.43Å; L168-M172 HydrophobicContact CG-SD 4.33Å; L168-M172 WeakPolarHBondContact O-CG 3.14Å; L168-M172 PolarHBondContact O-N 3.15Å
169	L	97.2	Very high	96.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-41.4	178.6	-65.8	175.1	0	0	0	111.4	L39 I42 Q43 F46 L165 I167 M172 E173	L39-L169 HydrophobicContact CD2-CD2 4.5Å; I42-L169 HydrophobicContact CB-CD2 4.32Å; I42-L169 HydrophobicContact CG2-CD1 3.98Å; I42-L169 HydrophobicContact CG2-CD2 3.63Å; I42-L169 HydrophobicContact CG2-CG 4.45Å; Q43-L169 HydrophobicContact CG-CB 4.38Å; Q43-L169 HydrophobicContact CG-CD1 3.82Å; F46-L169 HydrophobicContact CD1-CD1 4.32Å; L165-L169 HydrophobicContact CD1-CG 4.41Å; L165-L169 HydrophobicContact CG-CD1 4.24Å; L165-L169 HydrophobicContact CG-CG 4.35Å; L165-L169 WeakPolarHBondContact O-CG 3.39Å; L165-L169 PolarHBondContact O-N 2.99Å; I167-L169 VanDerWaalsContact C-N 3.33Å; I167-L169 PolarHBondContact O-N 2.86Å; L169-M172 HydrophobicContact CD2-SD 4.4Å; L169-M172 WeakPolarHBondContact O-CB 3.35Å; L169-M172 PolarHBondContact O-N 2.72Å; L169-M172 VanDerWaalsContact O-N 3.14Å; L169-E173 WeakPolarHBondContact O-CG 3.15Å; L169-E173 PolarHBondContact O-N 2.78Å
170	R	96.1	Very high	96.2	Very high	126 Å²	126	27 Å²	27	48%	0.475	13%	0.132	S	C	.	.	H	α-helix	trans	-61.4	-45.3	174.1	-165.5	-172.5	-48.4	139.4	10.2	112	G166 I167 L168 M172 E173 E174	G166-R170 PolarHBondContact O-N 3.14Å; G166-R170 VanDerWaalsContact O-N 3.17Å; I167-R170 WeakPolarHBondContact O-CB 3.24Å; I167-R170 PolarHBondContact O-N 2.8Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.1Å; R170-M172 PolarHBondContact O-N 3.22Å; R170-E173 WeakPolarHBondContact O-CB 3.48Å; R170-E173 PolarHBondContact O-N 3.19Å; R170-E173 VanDerWaalsContact O-N 3.1Å; R170-E174 VanDerWaalsContact O-CG 3.24Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.5Å; R170-E174 VanDerWaalsContact O-N 3.09Å
171	W	95.9	Very high	96	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-32.2	174.9	-65.9	-14.5	0	0	0	113	L65 R66 E69 S70 L71 F82 L86 I167 L168 M175	L65-W171 HydrophobicContact CB-CH2 3.76Å; L65-W171 HydrophobicContact CB-CZ2 4.18Å; L65-W171 HydrophobicContact CB-CZ3 4.36Å; L65-W171 HydrophobicContact CD2-CH2 4.14Å; L65-W171 HydrophobicContact CD2-CZ3 4.06Å; L65-W171 HydrophobicContact CG-CH2 4.42Å; R66-W171 VanDerWaalsContact O-CZ2 3.27Å; R66-W171 WeakPolarHBondContact O-CZ2 3.38Å; E69-W171 HydrophobicContact CB-CH2 4.21Å; S70-W171 PolarHBondContact OG-NE1 3.22Å; L71-W171 HydrophobicContact CB-CB 4.09Å; L71-W171 HydrophobicContact CD1-CB 3.83Å; L71-W171 HydrophobicContact CG-CB 4.22Å; F82-W171 HydrophobicContact CE1-CZ3 4.29Å; F82-W171 HydrophobicContact CZ-CZ3 4.26Å; L86-W171 HydrophobicContact CD1-CE3 4.23Å; L86-W171 HydrophobicContact CD1-CZ3 4.1Å; I167-W171 HydrophobicContact CG2-CD2 4.27Å; I167-W171 HydrophobicContact CG2-CZ2 3.77Å; I167-W171 PolarHBondContact O-N 2.84Å; L168-W171 HydrophobicContact CD1-CE3 4.23Å; L168-W171 WeakPolarHBondContact O-CB 3.44Å; L168-W171 PolarHBondContact O-N 3.23Å; W171-M175 WeakPolarHBondContact O-CG 3.48Å
172	M	95.9	Very high	95.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-72.6	-40.8	174.5	-66.5	173.8	73.4	0	0	111.7	L28 L39 L83 I119 L168 L169 R170 E174 M175	L28-M172 HydrophobicContact CD1-CB 4.37Å; L28-M172 HydrophobicContact CD1-CE 3.65Å; L28-M172 WeakPolarHBondContact CD2-O 3.3Å; L39-M172 HydrophobicContact CD1-CB 3.88Å; L39-M172 HydrophobicContact CD2-CB 4.2Å; L39-M172 HydrophobicContact CD2-CE 3.59Å; L39-M172 HydrophobicContact CD2-SD 4.13Å; L83-M172 HydrophobicContact CD1-CE 4.43Å; L83-M172 HydrophobicContact CD1-CG 3.94Å; L83-M172 HydrophobicContact CD1-SD 4.1Å; L83-M172 HydrophobicContact CD2-CE 4.32Å; I119-M172 HydrophobicContact CD1-CE 3.8Å; I119-M172 HydrophobicContact CG2-CE 4.39Å; L168-M172 HydrophobicContact CD1-CG 4.43Å; L168-M172 HydrophobicContact CG-SD 4.33Å; L168-M172 WeakPolarHBondContact O-CG 3.14Å; L168-M172 PolarHBondContact O-N 3.15Å; L169-M172 HydrophobicContact CD2-SD 4.4Å; L169-M172 WeakPolarHBondContact O-CB 3.35Å; L169-M172 PolarHBondContact O-N 2.72Å; L169-M172 VanDerWaalsContact O-N 3.14Å; R170-M172 PolarHBondContact O-N 3.22Å; M172-E174 PolarHBondContact O-N 3.32Å; M172-M175 WeakPolarHBondContact O-CB 3.43Å; M172-M175 PolarHBondContact O-N 3.17Å
173	E	94.2	Very high	95.7	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	16%	0.16	S	C	.	.	H	α-helix	trans	-60.7	-33.5	176.5	-70.3	177.7	134.7	0	0	112.9	L39 Q43 L169 R170 M175 I176	L39-E173 HydrophobicContact CD1-CG 3.79Å; Q43-E173 PolarHBondContact NE2-OE1 3.35Å; Q43-E173 PolarHBondContact NE2-OE2 3.35Å; Q43-E173 PolarHBondContact OE1-OE1 3.39Å; L169-E173 WeakPolarHBondContact O-CG 3.15Å; L169-E173 PolarHBondContact O-N 2.78Å; R170-E173 WeakPolarHBondContact O-CB 3.48Å; R170-E173 PolarHBondContact O-N 3.19Å; R170-E173 VanDerWaalsContact O-N 3.1Å; E173-M175 PolarHBondContact O-N 3.17Å; E173-M175 VanDerWaalsContact O-N 3.11Å; E173-I176 HydrophobicContact CB-CD1 4.22Å; E173-I176 HydrophobicContact CG-CD1 4.39Å; E173-I176 WeakPolarHBondContact O-CB 3.41Å; E173-I176 VanDerWaalsContact O-CG1 3.3Å; E173-I176 WeakPolarHBondContact O-CG1 3.28Å; E173-I176 PolarHBondContact O-N 3.35Å; E173-I176 VanDerWaalsContact O-N 3.14Å
174	E	91.8	Very high	95.5	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.1	175.6	-66.9	167.4	174.1	0	0	113.2	Q72 R170 M172	Q72-E174 HydrophobicContact CG-CB 3.72Å; Q72-E174 HydrophobicContact CG-CG 4.15Å; Q72-E174 WeakPolarHBondContact CG-OE2 3.4Å; Q72-E174 VanDerWaalsContact NE2-CB 3.28Å; Q72-E174 PolarHBondContact NE2-OE1 3.06Å; Q72-E174 PolarHBondContact NE2-OE2 3.24Å; R170-E174 VanDerWaalsContact O-CG 3.24Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.5Å; R170-E174 VanDerWaalsContact O-N 3.09Å; M172-E174 PolarHBondContact O-N 3.32Å
175	M	92.3	Very high	95.3	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.025	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	3.6	178.1	-55	-60.3	115.4	0	0	113.2	L28 H29 L30 L71 Q72 R79 W171 M172 E173	L28-M175 WeakPolarHBondContact CA-O 3.28Å; H29-M175 PolarHBondContact N-O 3.14Å; L30-M175 HydrophobicContact CD2-CB 4.28Å; L30-M175 HydrophobicContact CD2-CG 4.14Å; L71-M175 HydrophobicContact CB-CE 3.96Å; L71-M175 HydrophobicContact CB-CG 4.46Å; L71-M175 HydrophobicContact CB-SD 4.33Å; Q72-M175 HydrophobicContact CB-CE 4.4Å; Q72-M175 HydrophobicContact CG-CE 3.74Å; R79-M175 VanDerWaalsContact CD-SD 3.53Å; R79-M175 HydrophobicContact CG-SD 4.4Å; R79-M175 VanDerWaalsContact CZ-SD 3.56Å; R79-M175 PolarHBondContact NH1-SD 3.3Å; W171-M175 WeakPolarHBondContact O-CG 3.48Å; M172-M175 WeakPolarHBondContact O-CB 3.43Å; M172-M175 PolarHBondContact O-N 3.17Å; E173-M175 PolarHBondContact O-N 3.17Å; E173-M175 VanDerWaalsContact O-N 3.11Å
176	I	90	Very high	95	Very high	118 Å²	118	39.6 Å²	39.6	61%	0.605	19%	0.193	S	C	*	.			trans	-70.3	0	171.4	-59.2	168.2	0	0	0	109.5	Q26 T27 L28 H29 L39 E173	Q26-I176 HydrophobicContact CB-CD1 3.83Å; Q26-I176 HydrophobicContact CB-CG1 3.98Å; Q26-I176 HydrophobicContact CG-CD1 3.72Å; Q26-I176 HydrophobicContact CG-CG1 4.42Å; T27-I176 WeakPolarHBondContact O-CA 3.37Å; L28-I176 HydrophobicContact CD2-CG1 3.71Å; H29-I176 PolarHBondContact CD2-O 3.45Å; L39-I176 HydrophobicContact CD1-CD1 4.43Å; E173-I176 HydrophobicContact CB-CD1 4.22Å; E173-I176 HydrophobicContact CG-CD1 4.39Å; E173-I176 WeakPolarHBondContact O-CB 3.41Å; E173-I176 VanDerWaalsContact O-CG1 3.3Å; E173-I176 WeakPolarHBondContact O-CG1 3.28Å; E173-I176 PolarHBondContact O-N 3.35Å; E173-I176 VanDerWaalsContact O-N 3.14Å

Retrieved 176 of 176 residues in 37.9 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).