A0A061IC63_CRIGR Loading...

Aromatase

AlphaFold DB , UniProt , Accession A0A061IC63, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100769024, Length 503 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	36.5	Very low	231 Å²	231	178.4 Å²	178.4	100%	1.138	87%	0.867	S	S	*	*				0	94.2	0	-101.1	162.6	57.8	0	0	106.4
2	F	36.7	Very low	36.1	Very low	199 Å²	199	174.9 Å²	174.9	87%	0.873	86%	0.856	S	S	*	*				51.7	90.8	87.2	-94.9	-88.5	0	0	0	110.9
3	L	32.6	Very low	36.5	Very low	159 Å²	159	172 Å²	172	83%	0.832	85%	0.854	S	S	*	*			trans	162.9	86.6	136.8	-91.2	151.3	0	0	0	108.6
4	E	32.3	Very low	36.7	Very low	198 Å²	198	167.5 Å²	167.5	93%	0.925	84%	0.841	S	S	*	*	S	Bend	trans	-174.8	11.7	150.3	-106	172	-165.6	0	0	112.4	L6	E4-L6 PolarHBondContact O-N 2.77Å
5	M	37.3	Very low	37	Very low	185 Å²	185	167.3 Å²	167.3	91%	0.911	84%	0.843	S	S	*	*			trans	-76.4	99.4	146	-95.6	-173.9	69.7	0	0	107.9
6	L	32.2	Very low	37.2	Very low	166 Å²	166	168.4 Å²	168.4	87%	0.869	85%	0.848	S	S	*	*			trans	-172.6	93.9	146	-95.9	165.8	0	0	0	108.1	E4	E4-L6 PolarHBondContact O-N 2.77Å
7	N	35.3	Very low	37.9	Very low	145 Å²	145	166.3 Å²	166.3	78%	0.775	85%	0.845	S	S	*	*			trans	-32.3	157.5	160.1	-126.2	-4.7	0	0	0	113.1
8	P	45.6	Very low	38.2	Very low	100 Å²	100	163.8 Å²	163.8	65%	0.649	84%	0.842	S	S	*	*			cis	-151.4	161.8	49.3	35.6	-12.1	0	0	0	118.3
9	M	43.4	Very low	38.9	Very low	155 Å²	155	159.1 Å²	159.1	76%	0.764	84%	0.837	S	S	*	*			trans	58	103.3	142.4	-69.5	-168.3	-51.6	0	0	119.2
10	H	36	Very low	39.7	Very low	193 Å²	193	154.9 Å²	154.9	89%	0.894	83%	0.827	S	S	*	*				-161	74.6	120.2	-102	-67.9	0	0	0	109	N12	H10-N12 PolarHBondContact O-N 3.4Å
11	Y	36.8	Very low	40.4	Very low	231 Å²	231	151.9 Å²	151.9	91%	0.906	81%	0.814	S	S	*	*			trans	-86.1	107.4	160	-108.8	-87.1	0	0	0	107.8	V13	Y11-V13 PolarHBondContact O-N 3.22Å
12	N	31.8	Very low	41.9	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	78%	0.784	S	S	*	*			trans	-62.8	117	175.3	-150.4	-2.9	0	0	0	108.5	H10 T14	H10-N12 PolarHBondContact O-N 3.4Å; N12-T14 VanDerWaalsContact C-N 3.35Å; N12-T14 PolarHBondContact O-N 2.71Å
13	V	41.4	Very low	43	Very low	137 Å²	137	141.5 Å²	141.5	83%	0.83	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	88.3	176.9	179.4	0	0	0	0	107.3	Y11	Y11-V13 PolarHBondContact O-N 3.22Å
14	T	38.8	Very low	44.4	Very low	109 Å²	109	137.7 Å²	137.7	67%	0.669	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.1	-0.8	166	-1.8	0	0	0	0	117.3	N12	N12-T14 VanDerWaalsContact C-N 3.35Å; N12-T14 PolarHBondContact O-N 2.71Å
15	N	42.1	Very low	45.9	Very low	165 Å²	165	129.4 Å²	129.4	88%	0.882	73%	0.733	S	S	*	*			trans	-132.1	57.8	-178.9	-79.8	-25.5	0	0	0	113.8
16	M	39.6	Very low	47.5	Very low	185 Å²	185	125.8 Å²	125.8	91%	0.911	72%	0.716	S	S	*	*			trans	-122.2	75.6	164.1	-94	-164.5	144.1	0	0	111
17	V	48.3	Very low	49.7	Very low	132 Å²	132	120.9 Å²	120.9	80%	0.8	69%	0.693	S	S	*	*			trans	-140	99.3	147	-176.7	0	0	0	0	107.6	G19	V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 2.85Å
18	P	43.8	Very low	51.7	Low	121 Å²	121	119.4 Å²	119.4	79%	0.786	69%	0.685	S	S	*	*			trans	-83	89.6	154.4	6.9	12.2	0	0	0	106.8	A20	P18-A20 PolarHBondContact O-N 2.76Å
19	G	52.6	Low	53.2	Low	74 Å²	74	119.1 Å²	119.1	76%	0.763	68%	0.677	S	S	*	*			trans	-71.8	80.5	161.7	0	0	0	0	0	108.6	V17	V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 2.85Å
20	A	53.8	Low	55	Low	76 Å²	76	117.6 Å²	117.6	63%	0.628	67%	0.672	S	S	*	*			trans	-162.7	111.7	162.3	0	0	0	0	0	107.8	P18	P18-A20 PolarHBondContact O-N 2.76Å
21	V	55.1	Low	57.1	Low	91 Å²	91	113 Å²	113	55%	0.552	65%	0.653	S	S	*	*			trans	-49.6	124.1	158.3	175.6	0	0	0	0	106.1	V23 A25	V21-V23 PolarHBondContact O-N 2.89Å; V21-A25 HydrophobicContact CG1-CB 3.71Å
22	P	64.4	Low	59.1	Low	80 Å²	80	106.7 Å²	106.7	52%	0.519	63%	0.633	S	S	.	*			trans	-55.6	136.7	-174.2	18.7	-29.1	0	0	0	109.2	S24 A25	P22-S24 PolarHBondContact O-N 3.07Å; P22-A25 HydrophobicContact CG-CB 4.1Å; P22-A25 WeakPolarHBondContact O-CB 3.3Å; P22-A25 PolarHBondContact O-N 3.09Å
23	V	60.7	Low	61.3	Low	132 Å²	132	101.7 Å²	101.7	80%	0.8	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-19.2	-176.3	178.8	0	0	0	0	112.1	V21 P27	V21-V23 PolarHBondContact O-N 2.89Å; V23-P27 WeakPolarHBondContact O-CD 3.43Å
24	S	60.5	Low	63	Low	79 Å²	79	100.1 Å²	100.1	55%	0.552	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-20.4	172.2	55.4	0	0	0	0	115.5	P22 L28	P22-S24 PolarHBondContact O-N 3.07Å; S24-L28 WeakPolarHBondContact O-CD1 3.48Å; S24-L28 WeakPolarHBondContact O-CG 3.47Å
25	A	64.9	Low	64.7	Low	25 Å²	25	100.1 Å²	100.1	21%	0.207	60%	0.595	C	S	.	*	H	α-helix	trans	-80.1	-28	179.2	0	0	0	0	0	112.9	V21 P22 L28 L29	V21-A25 HydrophobicContact CG1-CB 3.71Å; P22-A25 HydrophobicContact CG-CB 4.1Å; P22-A25 WeakPolarHBondContact O-CB 3.3Å; P22-A25 PolarHBondContact O-N 3.09Å; A25-L28 PolarHBondContact O-N 3.38Å; A25-L29 WeakPolarHBondContact O-CB 3.39Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 2.93Å; A25-L29 PolarHBondContact O-N 3.48Å
26	M	70.4	Confident	65.8	Low	109 Å²	109	93.7 Å²	93.7	54%	0.537	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-48	176.4	-82.5	-71.6	177	0	0	113	L28 L29 L30	M26-L28 VanDerWaalsContact C-N 3.33Å; M26-L28 PolarHBondContact O-N 3.38Å; M26-L29 PolarHBondContact O-N 3.36Å; M26-L30 WeakPolarHBondContact O-CB 3.37Å; M26-L30 VanDerWaalsContact O-CG 3.31Å; M26-L30 WeakPolarHBondContact O-CG 3.4Å; M26-L30 PolarHBondContact O-N 2.94Å
27	P	77.7	Confident	67.2	Low	62 Å²	62	90.2 Å²	90.2	40%	0.403	55%	0.546	S	S	.	.	H	α-helix	trans	-60.6	-39.3	172.6	-23.1	31.7	0	0	0	112.8	V23 L30 I31	V23-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L30 PolarHBondContact O-N 3.33Å; P27-I31 WeakPolarHBondContact O-CB 3.32Å; P27-I31 WeakPolarHBondContact O-CD1 3.39Å; P27-I31 WeakPolarHBondContact O-CG1 3.21Å; P27-I31 PolarHBondContact O-N 2.87Å
28	L	77.3	Confident	68.1	Low	115 Å²	115	87.7 Å²	87.7	60%	0.602	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-40.7	177.6	-77	167.4	0	0	0	112.3	S24 A25 M26 M32	S24-L28 WeakPolarHBondContact O-CD1 3.48Å; S24-L28 WeakPolarHBondContact O-CG 3.47Å; A25-L28 PolarHBondContact O-N 3.38Å; M26-L28 VanDerWaalsContact C-N 3.33Å; M26-L28 PolarHBondContact O-N 3.38Å; L28-M32 WeakPolarHBondContact O-CB 3.38Å; L28-M32 PolarHBondContact O-N 2.98Å
29	L	78.2	Confident	69.1	Low	93 Å²	93	89.6 Å²	89.6	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-67.8	-37.1	174.1	-74	170.8	0	0	0	112	A25 M26 M32 G33	A25-L29 WeakPolarHBondContact O-CB 3.39Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 2.93Å; A25-L29 PolarHBondContact O-N 3.48Å; M26-L29 PolarHBondContact O-N 3.36Å; L29-M32 HydrophobicContact CD2-CE 3.95Å; L29-G33 PolarHBondContact O-N 3.2Å
30	L	80	Confident	69.5	Low	123 Å²	123	87.2 Å²	87.2	64%	0.644	49%	0.489	S	S	*	.	H	α-helix	trans	-66.7	-46.2	174.1	-75.9	168.1	0	0	0	111.3	M26 P27 G33 L34	M26-L30 WeakPolarHBondContact O-CB 3.37Å; M26-L30 VanDerWaalsContact O-CG 3.31Å; M26-L30 WeakPolarHBondContact O-CG 3.4Å; M26-L30 PolarHBondContact O-N 2.94Å; P27-L30 PolarHBondContact O-N 3.33Å; L30-G33 CarbonylContact O-C 3.56Å; L30-G33 PolarHBondContact O-N 2.88Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 3.19Å
31	I	81.4	Confident	69.6	Low	96 Å²	96	87.4 Å²	87.4	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-63.2	-43.5	175.7	-70	165.1	0	0	0	110.3	P27 G33 L34 L35	P27-I31 WeakPolarHBondContact O-CB 3.32Å; P27-I31 WeakPolarHBondContact O-CD1 3.39Å; P27-I31 WeakPolarHBondContact O-CG1 3.21Å; P27-I31 PolarHBondContact O-N 2.87Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.68Å; I31-L34 PolarHBondContact O-N 3.26Å; I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.27Å; I31-L35 WeakPolarHBondContact O-CB 3.31Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 3.22Å
32	M	79	Confident	69.5	Low	100 Å²	100	89.9 Å²	89.9	49%	0.493	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174.3	-169.8	-179	76.6	0	0	110.7	L28 L29 L34 L35 V36	L28-M32 WeakPolarHBondContact O-CB 3.38Å; L28-M32 PolarHBondContact O-N 2.98Å; L29-M32 HydrophobicContact CD2-CE 3.95Å; M32-L34 VanDerWaalsContact C-N 3.33Å; M32-L34 PolarHBondContact O-N 2.95Å; M32-L35 PolarHBondContact O-N 3.11Å; M32-V36 VanDerWaalsContact O-CB 3.32Å; M32-V36 WeakPolarHBondContact O-CB 3.3Å; M32-V36 WeakPolarHBondContact O-CG2 3.48Å; M32-V36 PolarHBondContact O-N 2.96Å
33	G	77.3	Confident	68.9	Low	31 Å²	31	89 Å²	89	32%	0.32	49%	0.485	S	S	.	.	H	α-helix	trans	-61.9	-38.2	174.3	0	0	0	0	0	113.1	L29 L30 I31 V36 L37	L29-G33 PolarHBondContact O-N 3.2Å; L30-G33 CarbonylContact O-C 3.56Å; L30-G33 PolarHBondContact O-N 2.88Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.68Å; G33-V36 PolarHBondContact O-N 2.95Å; G33-L37 WeakPolarHBondContact O-CB 3.41Å; G33-L37 WeakPolarHBondContact O-CG 3.5Å; G33-L37 PolarHBondContact O-N 3.5Å
34	L	77.7	Confident	68.4	Low	104 Å²	104	85.5 Å²	85.5	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-72.8	-41.4	178.7	-137.1	146.6	0	0	0	111.2	L30 I31 M32 V36 L37 I38	L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 3.19Å; I31-L34 PolarHBondContact O-N 3.26Å; M32-L34 VanDerWaalsContact C-N 3.33Å; M32-L34 PolarHBondContact O-N 2.95Å; L34-V36 VanDerWaalsContact C-N 3.31Å; L34-V36 PolarHBondContact O-N 3.04Å; L34-L37 WeakPolarHBondContact O-CB 3.22Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.22Å; L34-I38 WeakPolarHBondContact O-CB 3.22Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.14Å; L34-I38 PolarHBondContact O-N 3.4Å
35	L	73.6	Confident	67.9	Low	110 Å²	110	86.4 Å²	86.4	58%	0.576	47%	0.471	S	S	*	.	H	α-helix	trans	-64.6	-36	171.4	-71.2	172.5	0	0	0	111.5	I31 M32 W39	I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.27Å; I31-L35 WeakPolarHBondContact O-CB 3.31Å; I31-L35 VanDerWaalsContact O-CG 3.25Å; I31-L35 WeakPolarHBondContact O-CG 3.24Å; I31-L35 PolarHBondContact O-N 3.22Å; M32-L35 PolarHBondContact O-N 3.11Å; L35-W39 WeakPolarHBondContact O-CB 3.11Å; L35-W39 PolarHBondContact O-N 3.18Å
36	V	66.3	Low	68.5	Low	30 Å²	30	88.4 Å²	88.4	18%	0.182	48%	0.483	C	S	.	.	H	α-helix	trans	-68.1	-39.2	172.8	168.9	0	0	0	0	111.5	M32 G33 L34 N40 L54	M32-V36 VanDerWaalsContact O-CB 3.32Å; M32-V36 WeakPolarHBondContact O-CB 3.3Å; M32-V36 WeakPolarHBondContact O-CG2 3.48Å; M32-V36 PolarHBondContact O-N 2.96Å; G33-V36 PolarHBondContact O-N 2.95Å; L34-V36 VanDerWaalsContact C-N 3.31Å; L34-V36 PolarHBondContact O-N 3.04Å; V36-N40 WeakPolarHBondContact O-CB 3.34Å; V36-N40 VanDerWaalsContact O-CG 3.28Å; V36-N40 PolarHBondContact O-N 2.86Å; V36-N40 PolarHBondContact O-ND2 2.96Å; V36-L54 HydrophobicContact CG2-CD1 3.32Å; V36-L54 HydrophobicContact CG2-CD2 4.07Å; V36-L54 HydrophobicContact CG2-CG 3.56Å
37	L	68.3	Low	69.4	Low	111 Å²	111	84.8 Å²	84.8	58%	0.581	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-44.7	174.1	-87.3	159.4	0	0	0	111.6	G33 L34 N40 C41	G33-L37 WeakPolarHBondContact O-CB 3.41Å; G33-L37 WeakPolarHBondContact O-CG 3.5Å; G33-L37 PolarHBondContact O-N 3.5Å; L34-L37 WeakPolarHBondContact O-CB 3.22Å; L34-L37 PolarHBondContact O-N 3.47Å; L37-N40 PolarHBondContact O-N 3.14Å; L37-C41 WeakPolarHBondContact O-CB 3.33Å; L37-C41 PolarHBondContact O-N 2.98Å; L37-C41 PolarHBondContact O-SG 2.69Å
38	I	67.1	Low	70.2	Confident	79 Å²	79	84 Å²	84	41%	0.405	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-48.9	176.8	-68.5	166.8	0	0	0	110.3	L34 N40 C41 E42	L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.22Å; L34-I38 WeakPolarHBondContact O-CB 3.22Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.14Å; L34-I38 PolarHBondContact O-N 3.4Å; I38-N40 VanDerWaalsContact C-N 3.34Å; I38-N40 PolarHBondContact O-N 3.39Å; I38-C41 PolarHBondContact O-N 3.38Å; I38-C41 VanDerWaalsContact O-N 3.11Å; I38-E42 PolarHBondContact O-N 3.24Å
39	W	64.1	Low	71.1	Confident	162 Å²	162	79.4 Å²	79.4	61%	0.614	44%	0.441	S	S	*	.	H	α-helix	trans	-63	-38.6	177	-175.8	-82.5	0	0	0	112.5	L35 S43	L35-W39 WeakPolarHBondContact O-CB 3.11Å; L35-W39 PolarHBondContact O-N 3.18Å; W39-S43 WeakPolarHBondContact O-CB 3.48Å; W39-S43 PolarHBondContact O-N 3.16Å; W39-S43 PolarHBondContact O-OG 2.88Å
40	N	61	Low	71.8	Confident	23 Å²	23	75.8 Å²	75.8	12%	0.123	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-44.8	172.1	-83.7	-25.7	0	0	0	110.1	V36 L37 I38 T44 C53	V36-N40 WeakPolarHBondContact O-CB 3.34Å; V36-N40 VanDerWaalsContact O-CG 3.28Å; V36-N40 PolarHBondContact O-N 2.86Å; V36-N40 PolarHBondContact O-ND2 2.96Å; L37-N40 PolarHBondContact O-N 3.14Å; I38-N40 VanDerWaalsContact C-N 3.34Å; I38-N40 PolarHBondContact O-N 3.39Å; N40-T44 WeakPolarHBondContact O-CB 3.24Å; N40-T44 WeakPolarHBondContact O-CG2 3.42Å; N40-T44 PolarHBondContact O-N 3Å; N40-T44 PolarHBondContact O-OG1 2.83Å; N40-C53 PolarHBondContact ND2-SG 3.45Å; N40-C53 VanDerWaalsContact ND2-SG 3.43Å; N40-C53 PolarHBondContact OD1-N 3.34Å
41	C	56.3	Low	72.3	Confident	80 Å²	80	71.1 Å²	71.1	54%	0.541	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-42.7	178.2	-72.3	0	0	0	0	112.8	L37 I38 T44 S45	L37-C41 WeakPolarHBondContact O-CB 3.33Å; L37-C41 PolarHBondContact O-N 2.98Å; L37-C41 PolarHBondContact O-SG 2.69Å; I38-C41 PolarHBondContact O-N 3.38Å; I38-C41 VanDerWaalsContact O-N 3.11Å; C41-T44 WeakPolarHBondContact CA-OG1 3.47Å; C41-T44 PolarHBondContact O-OG1 3.22Å; C41-S45 PolarHBondContact O-OG 2.77Å
42	E	53.5	Low	72.6	Confident	144 Å²	144	71.1 Å²	71.1	67%	0.673	40%	0.399	S	S	*	.	H	α-helix	trans	-72.1	-40.1	178.7	-78.4	-176.1	150.5	0	0	112.1	I38	I38-E42 PolarHBondContact O-N 3.24Å
43	S	51.1	Low	73.1	Confident	60 Å²	60	68.7 Å²	68.7	42%	0.42	39%	0.392	S	S	.	.	H	α-helix	trans	-82.3	-12.8	178.8	74	0	0	0	0	114.9	W39 S45	W39-S43 WeakPolarHBondContact O-CB 3.48Å; W39-S43 PolarHBondContact O-N 3.16Å; W39-S43 PolarHBondContact O-OG 2.88Å; S43-S45 VanDerWaalsContact C-N 3.31Å
44	T	50	Low	73.5	Confident	60 Å²	60	72.5 Å²	72.5	37%	0.368	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.6	174.5	49.2	0	0	0	0	113.8	N40 C41 S46	N40-T44 WeakPolarHBondContact O-CB 3.24Å; N40-T44 WeakPolarHBondContact O-CG2 3.42Å; N40-T44 PolarHBondContact O-N 3Å; N40-T44 PolarHBondContact O-OG1 2.83Å; C41-T44 WeakPolarHBondContact CA-OG1 3.47Å; C41-T44 PolarHBondContact O-OG1 3.22Å; T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 2.97Å
45	S	50.8	Low	74	Confident	98 Å²	98	68.4 Å²	68.4	69%	0.685	39%	0.387	S	S	*	.	S	Bend	trans	-83.3	26.2	-167.5	-67.9	0	0	0	0	116.4	C41 S43	C41-S45 PolarHBondContact O-OG 2.77Å; S43-S45 VanDerWaalsContact C-N 3.31Å
46	S	77	Confident	74.9	Confident	66 Å²	66	67.9 Å²	67.9	46%	0.462	38%	0.384	S	S	.	.	S	Bend	trans	-147.2	-51.5	171	164.5	0	0	0	0	114.3	T44 Y386	T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 2.97Å; S46-Y386 WeakPolarHBondContact O-CD1 3.5Å; S46-Y386 WeakPolarHBondContact O-CE1 3.27Å
47	I	90	Very high	76.2	Confident	34 Å²	34	66.8 Å²	66.8	17%	0.174	38%	0.379	C	S	.	.	S	Bend	trans	-107.1	123.7	-175.9	-56.7	173.3	0	0	0	110.6	F84 R86 L95 Y386	I47-F84 HydrophobicContact CG2-CD1 4.25Å; I47-F84 HydrophobicContact CG2-CE1 4.08Å; I47-R86 HydrophobicContact CG2-CB 3.76Å; I47-L95 HydrophobicContact CD1-CD2 4.47Å; I47-L95 HydrophobicContact CG2-CD2 4.14Å; I47-Y386 HydrophobicContact CB-CD1 4.44Å; I47-Y386 HydrophobicContact CG1-CD1 3.8Å; I47-Y386 HydrophobicContact CG1-CG 4.44Å
48	P	94.8	Very high	77.5	Confident	45 Å²	45	62.3 Å²	62.3	29%	0.292	36%	0.356	S	S	.	.			trans	-58	146.6	178	-24.4	33.7	0	0	0	113.2	Y81 M85 R86	P48-Y81 WeakPolarHBondContact CB-O 3.25Å; P48-M85 HydrophobicContact CB-CB 4.25Å; P48-M85 CarbonylContact O-C 3.58Å; P48-M85 WeakPolarHBondContact O-CA 3.46Å; P48-M85 VanDerWaalsContact O-CB 3.31Å; P48-M85 WeakPolarHBondContact O-CB 3.32Å; P48-R86 PolarHBondContact O-N 3.23Å
49	G	95	Very high	78.9	Confident	19 Å²	19	64.8 Å²	64.8	20%	0.196	37%	0.37	C	S	.	.	S	Bend	trans	156.2	176.9	173.4	0	0	0	0	0	114	Y81	G49-Y81 VanDerWaalsContact C-CD1 3.47Å; G49-Y81 VanDerWaalsContact C-CE1 3.45Å
50	P	94	Very high	80.4	Confident	17 Å²	17	61.9 Å²	61.9	11%	0.11	37%	0.365	C	S	.	.			trans	-56.8	146.8	172.3	22.9	-34.2	0	0	0	112	Y77 R86 V87 W88	P50-Y77 HydrophobicContact CG-CE1 4.08Å; P50-R86 WeakPolarHBondContact CD-O 3.18Å; P50-V87 HydrophobicContact CG-CG1 4.49Å; P50-W88 HydrophobicContact CB-CZ3 4.45Å; P50-W88 HydrophobicContact CG-CZ3 4Å; P50-W88 VanDerWaalsContact O-CH2 3.25Å; P50-W88 WeakPolarHBondContact O-CH2 3.17Å; P50-W88 WeakPolarHBondContact O-CZ3 3.35Å
51	G	89.7	Confident	82.1	Confident	25 Å²	25	60.8 Å²	60.8	26%	0.258	36%	0.36	S	S	.	.			trans	-65.4	149.1	174.3	0	0	0	0	0	112.3	G57	G51-G57 WeakPolarHBondContact O-CA 3.47Å
52	Y	88.4	Confident	84.1	Confident	95 Å²	95	57.8 Å²	57.8	37%	0.373	34%	0.338	S	S	.	.			trans	-70.4	-38	-178.4	177.5	-107.4	0	0	0	112.4	L54 G55 G57 P58 W88	Y52-L54 PolarHBondContact O-N 3.09Å; Y52-G55 PolarHBondContact O-N 3.2Å; Y52-G55 VanDerWaalsContact O-N 3.15Å; Y52-G57 WeakPolarHBondContact O-CA 3.48Å; Y52-G57 PolarHBondContact O-N 3.13Å; Y52-P58 HydrophobicContact CD2-CG 3.69Å; Y52-P58 HydrophobicContact CE2-CG 3.52Å; Y52-P58 WeakPolarHBondContact O-CD 3.37Å; Y52-W88 HydrophobicContact CD2-CH2 4.34Å; Y52-W88 AromaticContact CD2-CZ2 3.71Å; Y52-W88 HydrophobicContact CD2-CZ2 3.71Å; Y52-W88 HydrophobicContact CG-CZ2 4.36Å
53	C	88.8	Confident	86.3	Confident	50 Å²	50	52.6 Å²	52.6	34%	0.338	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	47.3	54.5	174.3	-61.4	0	0	0	0	113.6	N40 G55 I56	N40-C53 PolarHBondContact ND2-SG 3.45Å; N40-C53 VanDerWaalsContact ND2-SG 3.43Å; N40-C53 PolarHBondContact OD1-N 3.34Å; C53-G55 PolarHBondContact O-N 2.77Å; C53-G55 VanDerWaalsContact O-N 3.13Å; C53-I56 HydrophobicContact CB-CB 4.18Å; C53-I56 WeakPolarHBondContact O-CB 3.45Å; C53-I56 WeakPolarHBondContact O-CG1 3.39Å; C53-I56 PolarHBondContact O-N 3.04Å
54	L	86.1	Confident	88.5	Confident	111 Å²	111	53.4 Å²	53.4	58%	0.581	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	49	38.5	-179.9	-61.1	178.9	0	0	0	114.4	V36 Y52	V36-L54 HydrophobicContact CG2-CD1 3.32Å; V36-L54 HydrophobicContact CG2-CD2 4.07Å; V36-L54 HydrophobicContact CG2-CG 3.56Å; Y52-L54 PolarHBondContact O-N 3.09Å
55	G	87.8	Confident	90.8	Very high	18 Å²	18	50.6 Å²	50.6	19%	0.186	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	93.7	-8.4	178	0	0	0	0	0	114.9	Y52 C53 P58 L59	Y52-G55 PolarHBondContact O-N 3.2Å; Y52-G55 VanDerWaalsContact O-N 3.15Å; C53-G55 PolarHBondContact O-N 2.77Å; C53-G55 VanDerWaalsContact O-N 3.13Å; G55-P58 WeakPolarHBondContact O-CD 3.45Å; G55-L59 WeakPolarHBondContact O-CG 3.35Å; G55-L59 PolarHBondContact O-N 3.22Å
56	I	92.3	Very high	93.1	Very high	99 Å²	99	49 Å²	49	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-39.1	173.1	-61.5	176.4	0	0	0	110.9	C53 L59 I60	C53-I56 HydrophobicContact CB-CB 4.18Å; C53-I56 WeakPolarHBondContact O-CB 3.45Å; C53-I56 WeakPolarHBondContact O-CG1 3.39Å; C53-I56 PolarHBondContact O-N 3.04Å; I56-L59 PolarHBondContact O-N 2.88Å; I56-I60 HydrophobicContact CG2-CD1 3.53Å; I56-I60 HydrophobicContact CG2-CG1 4.03Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.11Å
57	G	93.6	Very high	94.1	Very high	7 Å²	7	56.7 Å²	56.7	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-54.4	-52.4	176.7	0	0	0	0	0	112.6	G51 Y52 L59 I60 S61	G51-G57 WeakPolarHBondContact O-CA 3.47Å; Y52-G57 WeakPolarHBondContact O-CA 3.48Å; Y52-G57 PolarHBondContact O-N 3.13Å; G57-L59 PolarHBondContact O-N 3.28Å; G57-I60 PolarHBondContact O-N 2.82Å; G57-S61 WeakPolarHBondContact O-CB 3.43Å; G57-S61 PolarHBondContact O-N 2.8Å; G57-S61 PolarHBondContact O-OG 3.33Å; G57-S61 VanDerWaalsContact O-OG 3.11Å
58	P	96	Very high	94.4	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.104	31%	0.309	C	S	.	.	H	α-helix	trans	-53.8	-45.2	172.9	-28.6	31	0	0	0	115	Y52 G55 S61 H62 W88	Y52-P58 HydrophobicContact CD2-CG 3.69Å; Y52-P58 HydrophobicContact CE2-CG 3.52Å; Y52-P58 WeakPolarHBondContact O-CD 3.37Å; G55-P58 WeakPolarHBondContact O-CD 3.45Å; P58-S61 PolarHBondContact O-N 2.64Å; P58-S61 PolarHBondContact O-OG 3.1Å; P58-H62 WeakPolarHBondContact O-CB 3.42Å; P58-H62 PolarHBondContact O-N 3.25Å; P58-W88 HydrophobicContact CB-CB 3.83Å; P58-W88 HydrophobicContact CB-CD2 4.26Å; P58-W88 HydrophobicContact CB-CG 3.95Å; P58-W88 HydrophobicContact CG-CB 4.24Å; P58-W88 HydrophobicContact CG-CD2 3.75Å; P58-W88 HydrophobicContact CG-CE3 4.14Å; P58-W88 HydrophobicContact CG-CG 3.79Å
59	L	95.7	Very high	94.6	Very high	132 Å²	132	56.4 Å²	56.4	69%	0.691	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-46.7	179.8	-68.5	174.1	0	0	0	112.4	G55 I56 G57 S61 G63	G55-L59 WeakPolarHBondContact O-CG 3.35Å; G55-L59 PolarHBondContact O-N 3.22Å; I56-L59 PolarHBondContact O-N 2.88Å; G57-L59 PolarHBondContact O-N 3.28Å; L59-S61 VanDerWaalsContact C-N 3.33Å; L59-S61 PolarHBondContact O-N 3.26Å; L59-G63 PolarHBondContact O-N 3.17Å
60	I	96.4	Very high	94.8	Very high	100 Å²	100	55.5 Å²	55.5	51%	0.513	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-42.7	178.1	-65.9	174.7	0	0	0	110.1	I56 G57 G63 R64	I56-I60 HydrophobicContact CG2-CD1 3.53Å; I56-I60 HydrophobicContact CG2-CG1 4.03Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.11Å; G57-I60 PolarHBondContact O-N 2.82Å; I60-G63 PolarHBondContact O-N 3.41Å; I60-R64 WeakPolarHBondContact O-CB 3.37Å; I60-R64 PolarHBondContact O-N 2.69Å
61	S	97.6	Very high	95	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-50	-178.3	67.3	0	0	0	0	112	G57 P58 L59 G63 R64 F65 Y77 W88	G57-S61 WeakPolarHBondContact O-CB 3.43Å; G57-S61 PolarHBondContact O-N 2.8Å; G57-S61 PolarHBondContact O-OG 3.33Å; G57-S61 VanDerWaalsContact O-OG 3.11Å; P58-S61 PolarHBondContact O-N 2.64Å; P58-S61 PolarHBondContact O-OG 3.1Å; L59-S61 VanDerWaalsContact C-N 3.33Å; L59-S61 PolarHBondContact O-N 3.26Å; S61-G63 PolarHBondContact O-N 3.19Å; S61-R64 WeakPolarHBondContact O-CB 3.43Å; S61-R64 PolarHBondContact O-N 2.9Å; S61-F65 VanDerWaalsContact O-CD2 3.32Å; S61-F65 WeakPolarHBondContact O-CD2 3.34Å; S61-F65 PolarHBondContact O-N 3.01Å; S61-Y77 VanDerWaalsContact CA-OH 3.26Å; S61-Y77 WeakPolarHBondContact CA-OH 3.12Å; S61-Y77 WeakPolarHBondContact CB-OH 3.33Å; S61-W88 PolarHBondContact OG-N 2.77Å; S61-W88 PolarHBondContact OG-O 2.92Å
62	H	98.3	Very high	95.4	Very high	17 Å²	17	55.3 Å²	55.3	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-41.9	176.8	-168.2	-178.7	0	0	0	111.9	P58 R64 F65 L66 S90 I229	P58-H62 WeakPolarHBondContact O-CB 3.42Å; P58-H62 PolarHBondContact O-N 3.25Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 2.87Å; H62-F65 WeakPolarHBondContact O-CB 3.39Å; H62-F65 PolarHBondContact O-N 3.03Å; H62-F65 VanDerWaalsContact O-N 3.15Å; H62-L66 WeakPolarHBondContact O-CG 3.37Å; H62-L66 PolarHBondContact O-N 3.27Å; H62-S90 PolarHBondContact CE1-N 2.86Å; H62-S90 VanDerWaalsContact CE1-N 3.3Å; H62-S90 PolarHBondContact CE1-OG 3.3Å; H62-S90 WeakPolarHBondContact ND1-CA 3.17Å; H62-S90 PolarHBondContact ND1-N 2.74Å; H62-I229 PolarHBondContact CE1-O 3.12Å; H62-I229 PolarHBondContact NE2-O 3.01Å
63	G	98	Very high	95.9	Very high	35 Å²	35	50.8 Å²	50.8	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-39.1	174.1	0	0	0	0	0	112.6	L59 I60 S61 L66 W67	L59-G63 PolarHBondContact O-N 3.17Å; I60-G63 PolarHBondContact O-N 3.41Å; S61-G63 PolarHBondContact O-N 3.19Å; G63-L66 PolarHBondContact O-N 3.24Å; G63-W67 WeakPolarHBondContact O-CB 3.14Å; G63-W67 PolarHBondContact O-N 3.31Å
64	R	98.4	Very high	96.4	Very high	76 Å²	76	48.4 Å²	48.4	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-41.3	175.7	-173	175.2	-67.6	-103.7	0.1	112.5	I60 S61 H62 L66 W67 M68 Y76 Y77	I60-R64 WeakPolarHBondContact O-CB 3.37Å; I60-R64 PolarHBondContact O-N 2.69Å; S61-R64 WeakPolarHBondContact O-CB 3.43Å; S61-R64 PolarHBondContact O-N 2.9Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 2.87Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 3.44Å; R64-W67 PolarHBondContact O-N 3.34Å; R64-M68 HydrophobicContact CG-CG 4.03Å; R64-M68 HydrophobicContact CG-SD 3.35Å; R64-M68 WeakPolarHBondContact CG-SD 3.46Å; R64-M68 WeakPolarHBondContact O-CB 3.49Å; R64-M68 WeakPolarHBondContact O-CG 3.25Å; R64-M68 PolarHBondContact O-N 2.9Å; R64-Y76 VanDerWaalsContact CZ-CE1 3.45Å; R64-Y76 VanDerWaalsContact CZ-CZ 3.46Å; R64-Y76 VanDerWaalsContact NH1-CE1 3.28Å; R64-Y76 VanDerWaalsContact NH1-CE2 3.31Å; R64-Y76 PolarHBondContact NH1-OH 2.98Å; R64-Y77 WeakPolarHBondContact CD-OH 3.36Å; R64-Y77 HydrophobicContact CG-CE2 4.48Å
65	F	98.4	Very high	96.9	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-43.7	173	-86.5	-90.5	0	0	0	111.8	S61 H62 W67 G69 I70 A73 Y77 V87 I89 I96 I229 I395	S61-F65 VanDerWaalsContact O-CD2 3.32Å; S61-F65 WeakPolarHBondContact O-CD2 3.34Å; S61-F65 PolarHBondContact O-N 3.01Å; H62-F65 WeakPolarHBondContact O-CB 3.39Å; H62-F65 PolarHBondContact O-N 3.03Å; H62-F65 VanDerWaalsContact O-N 3.15Å; F65-W67 VanDerWaalsContact C-N 3.3Å; F65-W67 PolarHBondContact O-N 2.69Å; F65-G69 CarbonylContact O-C 3.49Å; F65-G69 WeakPolarHBondContact O-CA 3.39Å; F65-G69 PolarHBondContact O-N 3.35Å; F65-I70 HydrophobicContact CD1-CB 4.31Å; F65-I70 HydrophobicContact CD1-CG1 4.27Å; F65-I70 HydrophobicContact CD1-CG2 4.25Å; F65-I70 HydrophobicContact CE1-CG2 4.06Å; F65-A73 HydrophobicContact CD1-CB 3.76Å; F65-A73 HydrophobicContact CD2-CB 4.26Å; F65-A73 HydrophobicContact CE1-CB 3.95Å; F65-A73 HydrophobicContact CE2-CB 4.43Å; F65-A73 HydrophobicContact CG-CB 3.92Å; F65-A73 HydrophobicContact CZ-CB 4.3Å; F65-Y77 HydrophobicContact CD2-CE2 4.34Å; F65-Y77 HydrophobicContact CE2-CD2 4.16Å; F65-Y77 AromaticContact CE2-CE2 3.9Å; F65-Y77 HydrophobicContact CE2-CE2 3.9Å; F65-V87 HydrophobicContact CE2-CB 4.24Å; F65-V87 HydrophobicContact CE2-CG1 4.48Å; F65-V87 HydrophobicContact CE2-CG2 3.78Å; F65-V87 HydrophobicContact CZ-CG2 4.02Å; F65-I89 HydrophobicContact CD1-CD1 4.11Å; F65-I89 HydrophobicContact CD2-CD1 4.31Å; F65-I89 HydrophobicContact CD2-CG1 4.16Å; F65-I89 HydrophobicContact CE1-CD1 3.94Å; F65-I89 HydrophobicContact CE2-CD1 4.14Å; F65-I89 HydrophobicContact CE2-CG1 4.16Å; F65-I89 HydrophobicContact CG-CD1 4.3Å; F65-I89 HydrophobicContact CG-CG1 4.48Å; F65-I89 HydrophobicContact CZ-CD1 3.93Å; F65-I89 HydrophobicContact CZ-CG1 4.44Å; F65-I96 HydrophobicContact CZ-CD1 3.91Å; F65-I96 HydrophobicContact CZ-CG1 4.46Å; F65-I229 HydrophobicContact CB-CD1 3.84Å; F65-I229 HydrophobicContact CD1-CD1 4.44Å; F65-I395 HydrophobicContact CE1-CD1 4Å; F65-I395 HydrophobicContact CZ-CD1 4.29Å
66	L	97.9	Very high	97.5	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-68.7	-28.2	179	-63.9	176.2	0	0	0	113.4	H62 G63 R64 I229 K230	H62-L66 WeakPolarHBondContact O-CG 3.37Å; H62-L66 PolarHBondContact O-N 3.27Å; G63-L66 PolarHBondContact O-N 3.24Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 3.44Å; L66-I229 HydrophobicContact CD2-CD1 4.18Å; L66-I229 HydrophobicContact CD2-CG1 4.18Å; L66-K230 HydrophobicContact CD2-CD 3.99Å
67	W	97.9	Very high	97.8	Very high	227 Å²	227	42.6 Å²	42.6	86%	0.86	21%	0.212	S	C	*	.	H	α-helix	trans	-84.1	-46.2	179.6	177.1	-109.6	0	0	0	112.9	G63 R64 F65	G63-W67 WeakPolarHBondContact O-CB 3.14Å; G63-W67 PolarHBondContact O-N 3.31Å; R64-W67 PolarHBondContact O-N 3.34Å; F65-W67 VanDerWaalsContact C-N 3.3Å; F65-W67 PolarHBondContact O-N 2.69Å
68	M	98.1	Very high	98	Very high	64 Å²	64	42.3 Å²	42.3	32%	0.315	21%	0.209	S	C	.	.	H	α-helix	trans	-88.7	-24.8	-173.6	-62.5	-179.3	62.5	0	0	113.4	R64 S72 A73 Y76	R64-M68 HydrophobicContact CG-CG 4.03Å; R64-M68 HydrophobicContact CG-SD 3.35Å; R64-M68 WeakPolarHBondContact CG-SD 3.46Å; R64-M68 WeakPolarHBondContact O-CB 3.49Å; R64-M68 WeakPolarHBondContact O-CG 3.25Å; R64-M68 PolarHBondContact O-N 2.9Å; M68-S72 WeakPolarHBondContact O-CB 3.2Å; M68-S72 PolarHBondContact O-OG 3.48Å; M68-A73 HydrophobicContact CB-CB 4.36Å; M68-Y76 HydrophobicContact CE-CG 4.31Å; M68-Y76 HydrophobicContact SD-CG 4.48Å
69	G	98.1	Very high	98.1	Very high	8 Å²	8	48.8 Å²	48.8	8%	0.082	24%	0.236	C	C	.	.			trans	88.3	153.1	-162.4	0	0	0	0	0	112.1	F65 A73 D476	F65-G69 CarbonylContact O-C 3.49Å; F65-G69 WeakPolarHBondContact O-CA 3.39Å; F65-G69 PolarHBondContact O-N 3.35Å; G69-A73 VanDerWaalsContact O-CB 3.24Å; G69-A73 WeakPolarHBondContact O-CB 3.5Å; G69-A73 PolarHBondContact O-N 3.25Å; G69-D476 WeakPolarHBondContact CA-OD1 3.38Å
70	I	98.6	Very high	98.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-55.9	-171.8	-58.6	163.6	0	0	0	111.8	F65 A73 C74 L228 I229 L372 I395 D476 L477	F65-I70 HydrophobicContact CD1-CB 4.31Å; F65-I70 HydrophobicContact CD1-CG1 4.27Å; F65-I70 HydrophobicContact CD1-CG2 4.25Å; F65-I70 HydrophobicContact CE1-CG2 4.06Å; I70-A73 PolarHBondContact O-N 3.01Å; I70-C74 PolarHBondContact O-N 2.93Å; I70-C74 PolarHBondContact O-SG 2.65Å; I70-L228 HydrophobicContact CD1-CD2 4.37Å; I70-I229 HydrophobicContact CD1-CD1 4.13Å; I70-I229 HydrophobicContact CD1-CG1 4.26Å; I70-I229 HydrophobicContact CD1-CG2 4.15Å; I70-I229 HydrophobicContact CG1-CD1 3.69Å; I70-I229 HydrophobicContact CG1-CG1 4.35Å; I70-L372 HydrophobicContact CB-CD2 4.29Å; I70-L372 HydrophobicContact CG2-CD1 4.25Å; I70-L372 HydrophobicContact CG2-CD2 3.73Å; I70-I395 HydrophobicContact CG2-CD1 4.06Å; I70-D476 WeakPolarHBondContact CB-O 3.32Å; I70-D476 WeakPolarHBondContact CG1-OD1 3.42Å; I70-D476 PolarHBondContact N-OD1 3.42Å; I70-L477 HydrophobicContact CD1-CD1 4.46Å
71	G	98.3	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-37.6	-176.5	0	0	0	0	0	113.7	A73 C74 N75 N475 D476	G71-A73 PolarHBondContact O-N 3.42Å; G71-C74 PolarHBondContact O-N 2.81Å; G71-N75 PolarHBondContact O-N 3.07Å; G71-N75 PolarHBondContact O-ND2 2.96Å; G71-N475 WeakPolarHBondContact CA-OD1 3.28Å; G71-D476 PolarHBondContact N-O 2.97Å
72	S	98.5	Very high	98.2	Very high	38 Å²	38	48.3 Å²	48.3	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-43.6	172.1	-62.5	0	0	0	0	112.4	M68 N75 Y76 N475	M68-S72 WeakPolarHBondContact O-CB 3.2Å; M68-S72 PolarHBondContact O-OG 3.48Å; S72-N75 PolarHBondContact O-N 3.32Å; S72-Y76 PolarHBondContact O-N 3.28Å; S72-N475 PolarHBondContact N-O 3.2Å; S72-N475 VanDerWaalsContact N-O 3.15Å; S72-N475 WeakPolarHBondContact OG-CB 3.41Å; S72-N475 PolarHBondContact OG-O 2.91Å
73	A	98.7	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-40.6	177.3	0	0	0	0	0	111.7	F65 M68 G69 I70 G71 N75 Y76 Y77	F65-A73 HydrophobicContact CD1-CB 3.76Å; F65-A73 HydrophobicContact CD2-CB 4.26Å; F65-A73 HydrophobicContact CE1-CB 3.95Å; F65-A73 HydrophobicContact CE2-CB 4.43Å; F65-A73 HydrophobicContact CG-CB 3.92Å; F65-A73 HydrophobicContact CZ-CB 4.3Å; M68-A73 HydrophobicContact CB-CB 4.36Å; G69-A73 VanDerWaalsContact O-CB 3.24Å; G69-A73 WeakPolarHBondContact O-CB 3.5Å; G69-A73 PolarHBondContact O-N 3.25Å; I70-A73 PolarHBondContact O-N 3.01Å; G71-A73 PolarHBondContact O-N 3.42Å; A73-N75 PolarHBondContact O-N 3.43Å; A73-Y76 WeakPolarHBondContact O-CB 3.3Å; A73-Y76 PolarHBondContact O-N 3.47Å; A73-Y77 WeakPolarHBondContact O-CD2 3.31Å; A73-Y77 PolarHBondContact O-N 3.46Å
74	C	98.8	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175.2	-68.7	0	0	0	0	111.4	I70 G71 Y76 Y77 N78 I96	I70-C74 PolarHBondContact O-N 2.93Å; I70-C74 PolarHBondContact O-SG 2.65Å; G71-C74 PolarHBondContact O-N 2.81Å; C74-Y76 VanDerWaalsContact C-N 3.33Å; C74-Y76 PolarHBondContact O-N 3.18Å; C74-Y77 PolarHBondContact O-N 3.05Å; C74-N78 PolarHBondContact O-N 3.16Å; C74-N78 PolarHBondContact O-OD1 2.86Å; C74-I96 HydrophobicContact CB-CG2 3.85Å
75	N	98.6	Very high	98.1	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-39.2	176.4	-78.8	-52	0	0	0	112.8	G71 S72 A73 K79 N397	G71-N75 PolarHBondContact O-N 3.07Å; G71-N75 PolarHBondContact O-ND2 2.96Å; S72-N75 PolarHBondContact O-N 3.32Å; A73-N75 PolarHBondContact O-N 3.43Å; N75-K79 WeakPolarHBondContact O-CB 3.46Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.42Å; N75-K79 PolarHBondContact O-N 2.93Å; N75-K79 VanDerWaalsContact O-N 3.12Å; N75-N397 PolarHBondContact OD1-ND2 3.4Å; N75-N397 VanDerWaalsContact OD1-ND2 3.09Å
76	Y	98.7	Very high	98.1	Very high	66 Å²	66	46 Å²	46	26%	0.259	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-51.3	173.9	170.1	-94.3	0	0	0	111.6	R64 M68 S72 A73 C74 K79 M80	R64-Y76 VanDerWaalsContact CZ-CE1 3.45Å; R64-Y76 VanDerWaalsContact CZ-CZ 3.46Å; R64-Y76 VanDerWaalsContact NH1-CE1 3.28Å; R64-Y76 VanDerWaalsContact NH1-CE2 3.31Å; R64-Y76 PolarHBondContact NH1-OH 2.98Å; M68-Y76 HydrophobicContact CE-CG 4.31Å; M68-Y76 HydrophobicContact SD-CG 4.48Å; S72-Y76 PolarHBondContact O-N 3.28Å; A73-Y76 WeakPolarHBondContact O-CB 3.3Å; A73-Y76 PolarHBondContact O-N 3.47Å; C74-Y76 VanDerWaalsContact C-N 3.33Å; C74-Y76 PolarHBondContact O-N 3.18Å; Y76-K79 PolarHBondContact O-N 3.23Å; Y76-M80 HydrophobicContact CD2-CG 4.27Å; Y76-M80 HydrophobicContact CE1-CG 4.18Å; Y76-M80 HydrophobicContact CE2-CG 3.86Å; Y76-M80 HydrophobicContact CE2-SD 4.42Å; Y76-M80 WeakPolarHBondContact O-CB 3.26Å; Y76-M80 VanDerWaalsContact O-CG 3.26Å; Y76-M80 WeakPolarHBondContact O-CG 3.37Å; Y76-M80 PolarHBondContact O-N 2.72Å; Y76-M80 VanDerWaalsContact O-N 3.08Å
77	Y	98.6	Very high	98.2	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-40	-177	-80.5	-63.6	0	0	0	113	P50 S61 R64 F65 A73 C74 K79 M80 Y81 M85 V87 I96	P50-Y77 HydrophobicContact CG-CE1 4.08Å; S61-Y77 VanDerWaalsContact CA-OH 3.26Å; S61-Y77 WeakPolarHBondContact CA-OH 3.12Å; S61-Y77 WeakPolarHBondContact CB-OH 3.33Å; R64-Y77 WeakPolarHBondContact CD-OH 3.36Å; R64-Y77 HydrophobicContact CG-CE2 4.48Å; F65-Y77 HydrophobicContact CD2-CE2 4.34Å; F65-Y77 HydrophobicContact CE2-CD2 4.16Å; F65-Y77 AromaticContact CE2-CE2 3.9Å; F65-Y77 HydrophobicContact CE2-CE2 3.9Å; A73-Y77 WeakPolarHBondContact O-CD2 3.31Å; A73-Y77 PolarHBondContact O-N 3.46Å; C74-Y77 PolarHBondContact O-N 3.05Å; Y77-K79 VanDerWaalsContact C-N 3.35Å; Y77-K79 PolarHBondContact O-N 2.72Å; Y77-M80 PolarHBondContact O-N 3.27Å; Y77-Y81 AromaticContact CD1-CD2 3.8Å; Y77-Y81 HydrophobicContact CD1-CD2 3.8Å; Y77-Y81 AromaticContact CD1-CE2 3.66Å; Y77-Y81 HydrophobicContact CD1-CE2 3.66Å; Y77-Y81 HydrophobicContact CE1-CE2 4.03Å; Y77-Y81 PolarHBondContact O-N 3.31Å; Y77-M85 HydrophobicContact CD1-CE 3.6Å; Y77-M85 HydrophobicContact CG-CE 3.89Å; Y77-M85 HydrophobicContact CG-SD 4.35Å; Y77-V87 HydrophobicContact CD1-CG1 3.78Å; Y77-V87 HydrophobicContact CD2-CG1 3.72Å; Y77-V87 HydrophobicContact CE1-CG1 3.92Å; Y77-V87 HydrophobicContact CE2-CG1 3.84Å; Y77-V87 HydrophobicContact CG-CG1 3.7Å; Y77-I96 HydrophobicContact CD2-CD1 3.92Å; Y77-I96 HydrophobicContact CG-CD1 4.07Å
78	N	98.6	Very high	98.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-40.7	175.4	-72.3	135.8	0	0	0	112.2	C74 M80 G82 I96 N397	C74-N78 PolarHBondContact O-N 3.16Å; C74-N78 PolarHBondContact O-OD1 2.86Å; N78-M80 VanDerWaalsContact C-N 3.28Å; N78-M80 PolarHBondContact O-N 3.07Å; N78-G82 WeakPolarHBondContact CA-O 3.28Å; N78-G82 PolarHBondContact ND2-O 2.86Å; N78-G82 VanDerWaalsContact ND2-O 3.12Å; N78-G82 CarbonylContact O-C 3.53Å; N78-G82 WeakPolarHBondContact O-CA 3.32Å; N78-G82 PolarHBondContact O-N 3.05Å; N78-I96 PolarHBondContact ND2-O 3.36Å; N78-I96 VanDerWaalsContact OD1-CG2 3.24Å; N78-I96 WeakPolarHBondContact OD1-CG2 3.33Å; N78-N397 PolarHBondContact OD1-ND2 2.75Å
79	K	98	Very high	98.1	Very high	152 Å²	152	29.7 Å²	29.7	66%	0.661	15%	0.146	S	C	*	.	H	α-helix	trans	-63.4	-33.4	175.6	-75.4	177.2	-179.5	-176.9	0	112.9	N75 Y76 Y77	N75-K79 WeakPolarHBondContact O-CB 3.46Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.42Å; N75-K79 PolarHBondContact O-N 2.93Å; N75-K79 VanDerWaalsContact O-N 3.12Å; Y76-K79 PolarHBondContact O-N 3.23Å; Y77-K79 VanDerWaalsContact C-N 3.35Å; Y77-K79 PolarHBondContact O-N 2.72Å
80	M	97.4	Very high	97.8	Very high	112 Å²	112	32.3 Å²	32.3	55%	0.552	16%	0.163	S	C	*	.	H	α-helix	trans	-86	-38	-175.4	-71.2	-62.6	-59.8	0	0	114	Y76 Y77 N78	Y76-M80 HydrophobicContact CD2-CG 4.27Å; Y76-M80 HydrophobicContact CE1-CG 4.18Å; Y76-M80 HydrophobicContact CE2-CG 3.86Å; Y76-M80 HydrophobicContact CE2-SD 4.42Å; Y76-M80 WeakPolarHBondContact O-CB 3.26Å; Y76-M80 VanDerWaalsContact O-CG 3.26Å; Y76-M80 WeakPolarHBondContact O-CG 3.37Å; Y76-M80 PolarHBondContact O-N 2.72Å; Y76-M80 VanDerWaalsContact O-N 3.08Å; Y77-M80 PolarHBondContact O-N 3.27Å; N78-M80 VanDerWaalsContact C-N 3.28Å; N78-M80 PolarHBondContact O-N 3.07Å
81	Y	96.6	Very high	97.4	Very high	83 Å²	83	34.9 Å²	34.9	33%	0.325	19%	0.19	S	C	.	.	H	α-helix	trans	-120.1	-5.7	-169	-60.8	-86.6	0	0	0	114	P48 G49 Y77 M85	P48-Y81 WeakPolarHBondContact CB-O 3.25Å; G49-Y81 VanDerWaalsContact C-CD1 3.47Å; G49-Y81 VanDerWaalsContact C-CE1 3.45Å; Y77-Y81 AromaticContact CD1-CD2 3.8Å; Y77-Y81 HydrophobicContact CD1-CD2 3.8Å; Y77-Y81 AromaticContact CD1-CE2 3.66Å; Y77-Y81 HydrophobicContact CD1-CE2 3.66Å; Y77-Y81 HydrophobicContact CE1-CE2 4.03Å; Y77-Y81 PolarHBondContact O-N 3.31Å; Y81-M85 HydrophobicContact CD2-CE 3.7Å; Y81-M85 HydrophobicContact CE2-CE 4.49Å; Y81-M85 HydrophobicContact CG-CE 3.95Å
82	G	96.8	Very high	97.2	Very high	28 Å²	28	38.5 Å²	38.5	29%	0.289	21%	0.207	S	C	.	.			trans	106.7	174.7	-179	0	0	0	0	0	114.3	N78 F84	N78-G82 WeakPolarHBondContact CA-O 3.28Å; N78-G82 PolarHBondContact ND2-O 2.86Å; N78-G82 VanDerWaalsContact ND2-O 3.12Å; N78-G82 CarbonylContact O-C 3.53Å; N78-G82 WeakPolarHBondContact O-CA 3.32Å; N78-G82 PolarHBondContact O-N 3.05Å; G82-F84 VanDerWaalsContact C-N 3.26Å; G82-F84 PolarHBondContact O-N 3.26Å
83	E	98.1	Very high	97.1	Very high	48 Å²	48	40.5 Å²	40.5	22%	0.224	21%	0.212	C	C	.	.	S	Bend	trans	-80.3	-1.8	-169.9	-50.9	-50.9	137.9	0	0	114.4	I97 S98 K99 R400 L404	E83-I97 CarbonylContact O-C 3.43Å; E83-I97 WeakPolarHBondContact O-CA 3.44Å; E83-S98 WeakPolarHBondContact CA-OG 3.21Å; E83-S98 WeakPolarHBondContact CB-OG 3.33Å; E83-S98 PolarHBondContact O-N 2.84Å; E83-S98 PolarHBondContact O-OG 3.23Å; E83-S98 WeakPolarHBondContact OE2-CB 3.5Å; E83-S98 PolarHBondContact OE2-OG 2.86Å; E83-K99 HydrophobicContact CB-CG 3.75Å; E83-K99 PolarHBondContact O-N 3.44Å; E83-R400 IonicContact OE1-CZ 2.83Å; E83-R400 IonicContact OE1-NE 2.81Å; E83-R400 PolarHBondContact OE1-NE 2.94Å; E83-R400 IonicContact OE1-NH2 4Å; E83-R400 PolarHBondContact OE1-NH2 3.48Å; E83-R400 WeakPolarHBondContact OE2-CD 3.12Å; E83-R400 IonicContact OE2-CZ 2.87Å; E83-R400 IonicContact OE2-NE 3.19Å; E83-R400 PolarHBondContact OE2-NE 3.41Å; E83-R400 IonicContact OE2-NH2 3.27Å; E83-L404 HydrophobicContact CG-CD1 4Å; E83-L404 WeakPolarHBondContact OE2-CD1 2.94Å
84	F	98.3	Very high	97.1	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	112.3	168.3	-171.2	-63	0	0	0	106.9	I47 G82 L95 I97 K99 I383 Y386 V388	I47-F84 HydrophobicContact CG2-CD1 4.25Å; I47-F84 HydrophobicContact CG2-CE1 4.08Å; G82-F84 VanDerWaalsContact C-N 3.26Å; G82-F84 PolarHBondContact O-N 3.26Å; F84-L95 HydrophobicContact CE1-CD1 4.09Å; F84-L95 HydrophobicContact CE1-CD2 4.14Å; F84-L95 HydrophobicContact CZ-CD1 3.86Å; F84-I97 HydrophobicContact CD2-CD1 3.99Å; F84-I97 HydrophobicContact CD2-CG1 4.01Å; F84-I97 HydrophobicContact CD2-CG2 4.14Å; F84-I97 HydrophobicContact CE2-CD1 3.65Å; F84-I97 HydrophobicContact CE2-CG1 4.16Å; F84-I97 HydrophobicContact CG-CG1 4.37Å; F84-I97 HydrophobicContact CZ-CD1 4.11Å; F84-K99 HydrophobicContact CB-CD 4.05Å; F84-I383 HydrophobicContact CE2-CB 4.3Å; F84-I383 HydrophobicContact CE2-CG2 4.23Å; F84-Y386 HydrophobicContact CB-CE2 4.29Å; F84-Y386 HydrophobicContact CD1-CD1 4.45Å; F84-Y386 AromaticContact CD1-CD2 3.76Å; F84-Y386 HydrophobicContact CD1-CD2 3.76Å; F84-Y386 HydrophobicContact CD1-CE2 4.03Å; F84-Y386 AromaticContact CD1-CG 3.98Å; F84-Y386 HydrophobicContact CD1-CG 3.98Å; F84-Y386 AromaticContact CD2-CD2 3.94Å; F84-Y386 HydrophobicContact CD2-CD2 3.94Å; F84-Y386 HydrophobicContact CD2-CE2 4.3Å; F84-Y386 HydrophobicContact CE1-CD1 4.3Å; F84-Y386 AromaticContact CE1-CD2 3.75Å; F84-Y386 HydrophobicContact CE1-CD2 3.75Å; F84-Y386 HydrophobicContact CE1-CE2 4.47Å; F84-Y386 AromaticContact CE1-CG 3.64Å; F84-Y386 HydrophobicContact CE1-CG 3.64Å; F84-Y386 AromaticContact CE2-CD2 3.9Å; F84-Y386 HydrophobicContact CE2-CD2 3.9Å; F84-Y386 HydrophobicContact CE2-CG 4.43Å; F84-Y386 AromaticContact CG-CD2 3.88Å; F84-Y386 HydrophobicContact CG-CD2 3.88Å; F84-Y386 AromaticContact CG-CE2 3.96Å; F84-Y386 HydrophobicContact CG-CE2 3.96Å; F84-Y386 AromaticContact CZ-CD2 3.81Å; F84-Y386 HydrophobicContact CZ-CD2 3.81Å; F84-Y386 AromaticContact CZ-CG 3.89Å; F84-Y386 HydrophobicContact CZ-CG 3.89Å; F84-V388 HydrophobicContact CZ-CG2 4.46Å
85	M	98.1	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.3	-175	67.9	78.5	64.1	0	0	112.3	P48 Y77 Y81 V87 L95 I96	P48-M85 HydrophobicContact CB-CB 4.25Å; P48-M85 CarbonylContact O-C 3.58Å; P48-M85 WeakPolarHBondContact O-CA 3.46Å; P48-M85 VanDerWaalsContact O-CB 3.31Å; P48-M85 WeakPolarHBondContact O-CB 3.32Å; Y77-M85 HydrophobicContact CD1-CE 3.6Å; Y77-M85 HydrophobicContact CG-CE 3.89Å; Y77-M85 HydrophobicContact CG-SD 4.35Å; Y81-M85 HydrophobicContact CD2-CE 3.7Å; Y81-M85 HydrophobicContact CE2-CE 4.49Å; Y81-M85 HydrophobicContact CG-CE 3.95Å; M85-V87 HydrophobicContact CE-CG1 3.58Å; M85-V87 HydrophobicContact SD-CG1 3.74Å; M85-L95 CarbonylContact O-C 3.48Å; M85-L95 VanDerWaalsContact O-CA 3.29Å; M85-L95 WeakPolarHBondContact O-CA 3.37Å; M85-I96 HydrophobicContact CG-CB 4.4Å; M85-I96 PolarHBondContact N-O 3.48Å; M85-I96 VanDerWaalsContact N-O 3.12Å; M85-I96 PolarHBondContact O-N 2.9Å; M85-I96 HydrophobicContact SD-CB 3.94Å; M85-I96 HydrophobicContact SD-CD1 3.64Å; M85-I96 HydrophobicContact SD-CG1 4.12Å
86	R	98.1	Very high	97.1	Very high	26 Å²	26	39 Å²	39	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.7	-178.2	-177.9	-83.3	-53.8	-90.4	-1	112	I47 P48 P50 W88 E93 L95	I47-R86 HydrophobicContact CG2-CB 3.76Å; P48-R86 PolarHBondContact O-N 3.23Å; P50-R86 WeakPolarHBondContact CD-O 3.18Å; R86-W88 VanDerWaalsContact CZ-CH2 3.44Å; R86-W88 VanDerWaalsContact NE-CH2 3.34Å; R86-E93 IonicContact NH1-OE1 3.72Å; R86-E93 PolarHBondContact NH1-OE1 3.37Å; R86-L95 HydrophobicContact CB-CD2 3.94Å; R86-L95 HydrophobicContact CG-CD2 4.31Å
87	V	98.4	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-176.9	167.4	-67.9	0	0	0	0	109.9	P50 F65 Y77 M85 T94 I96	P50-V87 HydrophobicContact CG-CG1 4.49Å; F65-V87 HydrophobicContact CE2-CB 4.24Å; F65-V87 HydrophobicContact CE2-CG1 4.48Å; F65-V87 HydrophobicContact CE2-CG2 3.78Å; F65-V87 HydrophobicContact CZ-CG2 4.02Å; Y77-V87 HydrophobicContact CD1-CG1 3.78Å; Y77-V87 HydrophobicContact CD2-CG1 3.72Å; Y77-V87 HydrophobicContact CE1-CG1 3.92Å; Y77-V87 HydrophobicContact CE2-CG1 3.84Å; Y77-V87 HydrophobicContact CG-CG1 3.7Å; M85-V87 HydrophobicContact CE-CG1 3.58Å; M85-V87 HydrophobicContact SD-CG1 3.74Å; V87-T94 HydrophobicContact CG2-CG2 4.41Å; V87-T94 VanDerWaalsContact CG2-O 3.3Å; V87-T94 WeakPolarHBondContact CG2-O 3.39Å; V87-T94 PolarHBondContact N-O 3.25Å; V87-T94 PolarHBondContact O-N 2.68Å; V87-T94 VanDerWaalsContact O-O 3.13Å; V87-I96 HydrophobicContact CB-CD1 4.45Å; V87-I96 HydrophobicContact CG1-CD1 3.86Å; V87-I96 HydrophobicContact CG2-CD1 3.69Å; V87-I96 HydrophobicContact CG2-CG1 3.9Å
88	W	98.3	Very high	97.1	Very high	8 Å²	8	35.7 Å²	35.7	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.7	170.7	-55.3	-96.9	0	0	0	111.4	P50 Y52 P58 S61 R86 E92	P50-W88 HydrophobicContact CB-CZ3 4.45Å; P50-W88 HydrophobicContact CG-CZ3 4Å; P50-W88 VanDerWaalsContact O-CH2 3.25Å; P50-W88 WeakPolarHBondContact O-CH2 3.17Å; P50-W88 WeakPolarHBondContact O-CZ3 3.35Å; Y52-W88 HydrophobicContact CD2-CH2 4.34Å; Y52-W88 AromaticContact CD2-CZ2 3.71Å; Y52-W88 HydrophobicContact CD2-CZ2 3.71Å; Y52-W88 HydrophobicContact CG-CZ2 4.36Å; P58-W88 HydrophobicContact CB-CB 3.83Å; P58-W88 HydrophobicContact CB-CD2 4.26Å; P58-W88 HydrophobicContact CB-CG 3.95Å; P58-W88 HydrophobicContact CG-CB 4.24Å; P58-W88 HydrophobicContact CG-CD2 3.75Å; P58-W88 HydrophobicContact CG-CE3 4.14Å; P58-W88 HydrophobicContact CG-CG 3.79Å; S61-W88 PolarHBondContact OG-N 2.77Å; S61-W88 PolarHBondContact OG-O 2.92Å; R86-W88 VanDerWaalsContact CZ-CH2 3.44Å; R86-W88 VanDerWaalsContact NE-CH2 3.34Å; W88-E92 VanDerWaalsContact CA-O 3.3Å; W88-E92 WeakPolarHBondContact CA-O 3.4Å
89	I	97.5	Very high	97.1	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122	172.2	-60	178.9	0	0	0	106.9	F65 G91 E92 T94 F116 I229 I395	F65-I89 HydrophobicContact CD1-CD1 4.11Å; F65-I89 HydrophobicContact CD2-CD1 4.31Å; F65-I89 HydrophobicContact CD2-CG1 4.16Å; F65-I89 HydrophobicContact CE1-CD1 3.94Å; F65-I89 HydrophobicContact CE2-CD1 4.14Å; F65-I89 HydrophobicContact CE2-CG1 4.16Å; F65-I89 HydrophobicContact CG-CD1 4.3Å; F65-I89 HydrophobicContact CG-CG1 4.48Å; F65-I89 HydrophobicContact CZ-CD1 3.93Å; F65-I89 HydrophobicContact CZ-CG1 4.44Å; I89-G91 PolarHBondContact O-N 2.9Å; I89-E92 PolarHBondContact N-O 3.43Å; I89-E92 PolarHBondContact O-N 2.78Å; I89-E92 VanDerWaalsContact O-N 3.08Å; I89-T94 HydrophobicContact CD1-CG2 4.11Å; I89-F116 HydrophobicContact CD1-CE2 4.16Å; I89-F116 HydrophobicContact CD1-CZ 4.39Å; I89-I229 HydrophobicContact CG2-CB 4.12Å; I89-I229 HydrophobicContact CG2-CG2 4.26Å; I89-I395 HydrophobicContact CD1-CD1 4.12Å
90	S	91	Very high	97.1	Very high	62 Å²	62	32.5 Å²	32.5	43%	0.434	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.6	-174.8	-54.2	0	0	0	0	114.5	H62 E92	H62-S90 PolarHBondContact CE1-N 2.86Å; H62-S90 VanDerWaalsContact CE1-N 3.3Å; H62-S90 PolarHBondContact CE1-OG 3.3Å; H62-S90 WeakPolarHBondContact ND1-CA 3.17Å; H62-S90 PolarHBondContact ND1-N 2.74Å; S90-E92 PolarHBondContact O-N 2.74Å
91	G	89.1	Confident	97.2	Very high	56 Å²	56	29.1 Å²	29.1	58%	0.577	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-10.7	-177.9	0	0	0	0	0	114.9	I89	I89-G91 PolarHBondContact O-N 2.9Å
92	E	94.8	Very high	97.2	Very high	76 Å²	76	25.1 Å²	25.1	36%	0.355	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.2	174.3	-62.1	-171.1	139.2	0	0	110.7	W88 I89 S90 T94 R376 N393	W88-E92 VanDerWaalsContact CA-O 3.3Å; W88-E92 WeakPolarHBondContact CA-O 3.4Å; I89-E92 PolarHBondContact N-O 3.43Å; I89-E92 PolarHBondContact O-N 2.78Å; I89-E92 VanDerWaalsContact O-N 3.08Å; S90-E92 PolarHBondContact O-N 2.74Å; E92-T94 PolarHBondContact O-N 2.96Å; E92-T94 PolarHBondContact O-OG1 3.48Å; E92-R376 IonicContact OE1-CZ 2.69Å; E92-R376 IonicContact OE1-NH1 2.74Å; E92-R376 PolarHBondContact OE1-NH1 3.09Å; E92-R376 IonicContact OE1-NH2 3.6Å; E92-R376 PolarHBondContact OE1-NH2 3.19Å; E92-R376 IonicContact OE2-CZ 3.27Å; E92-R376 IonicContact OE2-NH1 3.01Å; E92-R376 PolarHBondContact OE2-NH1 2.87Å; E92-R376 IonicContact OE2-NH2 3.69Å; E92-N393 PolarHBondContact OE2-ND2 3.2Å
93	E	96.9	Very high	97.3	Very high	79 Å²	79	23.9 Å²	23.9	37%	0.369	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.1	172.3	-62.6	-160.5	145.1	0	0	110.6	R86 N393	R86-E93 IonicContact NH1-OE1 3.72Å; R86-E93 PolarHBondContact NH1-OE1 3.37Å; E93-N393 PolarHBondContact O-N 3.04Å
94	T	98.7	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.4	-179.9	-54.1	0	0	0	0	109.2	V87 I89 E92 F116 N393 I395	V87-T94 HydrophobicContact CG2-CG2 4.41Å; V87-T94 VanDerWaalsContact CG2-O 3.3Å; V87-T94 WeakPolarHBondContact CG2-O 3.39Å; V87-T94 PolarHBondContact N-O 3.25Å; V87-T94 PolarHBondContact O-N 2.68Å; V87-T94 VanDerWaalsContact O-O 3.13Å; I89-T94 HydrophobicContact CD1-CG2 4.11Å; E92-T94 PolarHBondContact O-N 2.96Å; E92-T94 PolarHBondContact O-OG1 3.48Å; T94-F116 HydrophobicContact CG2-CE1 4.5Å; T94-F116 HydrophobicContact CG2-CE2 4.44Å; T94-F116 HydrophobicContact CG2-CZ 3.86Å; T94-N393 CarbonylContact C-O 3.38Å; T94-N393 VanDerWaalsContact CA-O 3.27Å; T94-N393 WeakPolarHBondContact CA-O 3.41Å; T94-N393 HydrophobicContact CG2-CB 3.78Å; T94-N393 WeakPolarHBondContact OG1-CB 3.48Å; T94-I395 HydrophobicContact CG2-CD1 4.12Å; T94-I395 HydrophobicContact CG2-CG1 3.99Å
95	L	98.8	Very high	97.4	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.2	174.5	-58.4	177.2	0	0	0	109.9	I47 F84 M85 R86 I97 V388 T392 N393 I394 I395	I47-L95 HydrophobicContact CD1-CD2 4.47Å; I47-L95 HydrophobicContact CG2-CD2 4.14Å; F84-L95 HydrophobicContact CE1-CD1 4.09Å; F84-L95 HydrophobicContact CE1-CD2 4.14Å; F84-L95 HydrophobicContact CZ-CD1 3.86Å; M85-L95 CarbonylContact O-C 3.48Å; M85-L95 VanDerWaalsContact O-CA 3.29Å; M85-L95 WeakPolarHBondContact O-CA 3.37Å; R86-L95 HydrophobicContact CB-CD2 3.94Å; R86-L95 HydrophobicContact CG-CD2 4.31Å; L95-I97 HydrophobicContact CB-CD1 4.07Å; L95-I97 HydrophobicContact CB-CG1 4.06Å; L95-I97 HydrophobicContact CD1-CD1 4.42Å; L95-V388 HydrophobicContact CD1-CG1 4.13Å; L95-V388 HydrophobicContact CD1-CG2 3.75Å; L95-T392 HydrophobicContact CD1-CG2 3.93Å; L95-T392 HydrophobicContact CG-CG2 3.76Å; L95-N393 PolarHBondContact N-O 3.38Å; L95-I394 HydrophobicContact CB-CG1 4.49Å; L95-I394 CarbonylContact O-C 3.37Å; L95-I394 WeakPolarHBondContact O-CA 3.26Å; L95-I395 PolarHBondContact O-N 2.71Å
96	I	98.8	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.7	167.9	-54	159.5	0	0	0	107.8	F65 C74 Y77 N78 M85 V87 I395 N397	F65-I96 HydrophobicContact CZ-CD1 3.91Å; F65-I96 HydrophobicContact CZ-CG1 4.46Å; C74-I96 HydrophobicContact CB-CG2 3.85Å; Y77-I96 HydrophobicContact CD2-CD1 3.92Å; Y77-I96 HydrophobicContact CG-CD1 4.07Å; N78-I96 PolarHBondContact ND2-O 3.36Å; N78-I96 VanDerWaalsContact OD1-CG2 3.24Å; N78-I96 WeakPolarHBondContact OD1-CG2 3.33Å; M85-I96 HydrophobicContact CG-CB 4.4Å; M85-I96 PolarHBondContact N-O 3.48Å; M85-I96 VanDerWaalsContact N-O 3.12Å; M85-I96 PolarHBondContact O-N 2.9Å; M85-I96 HydrophobicContact SD-CB 3.94Å; M85-I96 HydrophobicContact SD-CD1 3.64Å; M85-I96 HydrophobicContact SD-CG1 4.12Å; V87-I96 HydrophobicContact CB-CD1 4.45Å; V87-I96 HydrophobicContact CG1-CD1 3.86Å; V87-I96 HydrophobicContact CG2-CD1 3.69Å; V87-I96 HydrophobicContact CG2-CG1 3.9Å; I96-I395 WeakPolarHBondContact CA-O 3.41Å; I96-N397 HydrophobicContact CG2-CB 4.41Å
97	I	98.8	Very high	97.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.8	-168.7	-54.3	177.3	0	0	0	110.4	E83 F84 L95 I394 I395 L396 N397	E83-I97 CarbonylContact O-C 3.43Å; E83-I97 WeakPolarHBondContact O-CA 3.44Å; F84-I97 HydrophobicContact CD2-CD1 3.99Å; F84-I97 HydrophobicContact CD2-CG1 4.01Å; F84-I97 HydrophobicContact CD2-CG2 4.14Å; F84-I97 HydrophobicContact CE2-CD1 3.65Å; F84-I97 HydrophobicContact CE2-CG1 4.16Å; F84-I97 HydrophobicContact CG-CG1 4.37Å; F84-I97 HydrophobicContact CZ-CD1 4.11Å; L95-I97 HydrophobicContact CB-CD1 4.07Å; L95-I97 HydrophobicContact CB-CG1 4.06Å; L95-I97 HydrophobicContact CD1-CD1 4.42Å; I97-I394 HydrophobicContact CD1-CG2 3.89Å; I97-I394 HydrophobicContact CG1-CG2 4.48Å; I97-I395 PolarHBondContact N-O 2.87Å; I97-L396 HydrophobicContact CB-CD2 4.12Å; I97-L396 HydrophobicContact CG2-CD2 4.44Å; I97-L396 CarbonylContact O-C 3.3Å; I97-L396 VanDerWaalsContact O-CA 3.31Å; I97-L396 WeakPolarHBondContact O-CA 3.5Å; I97-N397 PolarHBondContact O-N 3.29Å
98	S	98.6	Very high	97.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.161	C	C	.	.			trans	-124.6	-0	175	34.3	0	0	0	0	112.9	E83 M401	E83-S98 WeakPolarHBondContact CA-OG 3.21Å; E83-S98 WeakPolarHBondContact CB-OG 3.33Å; E83-S98 PolarHBondContact O-N 2.84Å; E83-S98 PolarHBondContact O-OG 3.23Å; E83-S98 WeakPolarHBondContact OE2-CB 3.5Å; E83-S98 PolarHBondContact OE2-OG 2.86Å; S98-M401 VanDerWaalsContact O-CB 3.25Å; S98-M401 WeakPolarHBondContact O-CB 3.27Å; S98-M401 VanDerWaalsContact O-CG 3.29Å; S98-M401 WeakPolarHBondContact O-CG 3.42Å
99	K	98.2	Very high	97.4	Very high	83 Å²	83	32.7 Å²	32.7	36%	0.361	18%	0.176	S	C	.	.			trans	-68.1	128.8	170.6	-62.7	-177.9	78.3	92.8	0	110.6	E83 F84 S101 S102 M103 E405	E83-K99 HydrophobicContact CB-CG 3.75Å; E83-K99 PolarHBondContact O-N 3.44Å; F84-K99 HydrophobicContact CB-CD 4.05Å; K99-S101 PolarHBondContact O-N 2.73Å; K99-S102 PolarHBondContact O-N 3.45Å; K99-M103 WeakPolarHBondContact O-CB 3.49Å; K99-M103 PolarHBondContact O-N 2.89Å; K99-E405 WeakPolarHBondContact CA-OE1 3.36Å
100	S	98.3	Very high	97.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-30.8	-177.7	78.2	0	0	0	0	113.5	M103 F104 E405 Y426	S100-M103 PolarHBondContact O-N 2.92Å; S100-F104 WeakPolarHBondContact O-CB 3.49Å; S100-F104 PolarHBondContact O-N 3.41Å; S100-E405 WeakPolarHBondContact CB-OE2 3.36Å; S100-E405 PolarHBondContact N-OE1 3.44Å; S100-E405 PolarHBondContact OG-OE2 3.37Å; S100-Y426 WeakPolarHBondContact OG-CE1 3.41Å
101	S	98.3	Very high	97.6	Very high	41 Å²	41	34.4 Å²	34.4	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-58.6	-52.9	172.5	45.4	0	0	0	0	111.6	K99 F104 H105 D384	K99-S101 PolarHBondContact O-N 2.73Å; S101-F104 PolarHBondContact O-N 3.48Å; S101-H105 PolarHBondContact O-N 3.47Å; S101-D384 WeakPolarHBondContact CB-OD2 3.48Å; S101-D384 PolarHBondContact OG-OD2 3.27Å
102	S	98.4	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-44.9	176.8	-67.9	0	0	0	0	112	K99 F104 H105 V106 D384	K99-S102 PolarHBondContact O-N 3.45Å; S102-F104 VanDerWaalsContact C-N 3.29Å; S102-F104 PolarHBondContact O-N 3.02Å; S102-H105 WeakPolarHBondContact O-CB 3.1Å; S102-H105 PolarHBondContact O-N 2.99Å; S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.89Å; S102-D384 WeakPolarHBondContact CB-OD2 3.26Å; S102-D384 PolarHBondContact N-OD2 3.44Å; S102-D384 VanDerWaalsContact N-OD2 3.09Å; S102-D384 VanDerWaalsContact OG-CG 3.24Å; S102-D384 PolarHBondContact OG-OD2 2.94Å
103	M	98.4	Very high	98.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-56.3	-46.7	176.2	178.3	-70.5	-63.1	0	0	110.8	K99 S100 H105 V106 M107 L396 I398 M401 R425 Q428 F432	K99-M103 WeakPolarHBondContact O-CB 3.49Å; K99-M103 PolarHBondContact O-N 2.89Å; S100-M103 PolarHBondContact O-N 2.92Å; M103-H105 PolarHBondContact O-N 2.95Å; M103-V106 PolarHBondContact O-N 3.21Å; M103-M107 HydrophobicContact CG-CE 3.93Å; M103-M107 WeakPolarHBondContact O-CB 3.25Å; M103-M107 WeakPolarHBondContact O-CG 3.4Å; M103-M107 PolarHBondContact O-N 3.47Å; M103-M107 HydrophobicContact SD-CE 3.65Å; M103-M107 HydrophobicContact SD-CG 3.97Å; M103-M107 HydrophobicContact SD-SD 3.56Å; M103-L396 HydrophobicContact CB-CD2 4.43Å; M103-L396 HydrophobicContact CG-CD1 4.22Å; M103-I398 HydrophobicContact CG-CG2 4.17Å; M103-M401 HydrophobicContact CB-SD 3.88Å; M103-M401 HydrophobicContact CE-CE 3.76Å; M103-M401 HydrophobicContact CE-SD 3.6Å; M103-M401 VanDerWaalsContact CE-SD 3.6Å; M103-M401 HydrophobicContact CG-CE 4.4Å; M103-M401 HydrophobicContact CG-SD 3.76Å; M103-M401 HydrophobicContact SD-SD 4.45Å; M103-R425 VanDerWaalsContact CE-O 3.28Å; M103-R425 WeakPolarHBondContact CE-O 3.42Å; M103-Q428 HydrophobicContact CE-CB 4.1Å; M103-Q428 HydrophobicContact CE-CG 3.5Å; M103-Q428 VanDerWaalsContact CE-CG 3.5Å; M103-Q428 HydrophobicContact SD-CB 4.11Å; M103-Q428 HydrophobicContact SD-CG 3.79Å; M103-F432 HydrophobicContact SD-CE1 4.39Å
104	F	98.4	Very high	98.3	Very high	41 Å²	41	24.8 Å²	24.8	18%	0.18	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-44.4	178.6	-173	-91.7	0	0	0	112	S100 S101 S102 M107 K108 Y424 R425 F432	S100-F104 WeakPolarHBondContact O-CB 3.49Å; S100-F104 PolarHBondContact O-N 3.41Å; S101-F104 PolarHBondContact O-N 3.48Å; S102-F104 VanDerWaalsContact C-N 3.29Å; S102-F104 PolarHBondContact O-N 3.02Å; F104-M107 PolarHBondContact O-N 2.93Å; F104-K108 HydrophobicContact CE1-CD 3.99Å; F104-K108 WeakPolarHBondContact O-CB 3.34Å; F104-K108 PolarHBondContact O-N 2.86Å; F104-Y424 HydrophobicContact CD2-CE2 4.41Å; F104-Y424 HydrophobicContact CE2-CD2 4.44Å; F104-Y424 AromaticContact CE2-CE2 3.54Å; F104-Y424 HydrophobicContact CE2-CE2 3.54Å; F104-Y424 AromaticContact CE2-CZ 3.8Å; F104-Y424 HydrophobicContact CZ-CE2 4.37Å; F104-R425 HydrophobicContact CD2-CB 3.47Å; F104-R425 VanDerWaalsContact CD2-CB 3.47Å; F104-R425 HydrophobicContact CE2-CB 3.64Å; F104-R425 HydrophobicContact CG-CB 4.35Å; F104-F432 HydrophobicContact CB-CE1 4.49Å; F104-F432 HydrophobicContact CB-CZ 4.37Å; F104-F432 HydrophobicContact CD1-CZ 4.25Å; F104-F432 AromaticContact CD2-CE1 3.58Å; F104-F432 HydrophobicContact CD2-CE1 3.58Å; F104-F432 HydrophobicContact CD2-CE2 4.16Å; F104-F432 AromaticContact CD2-CZ 3.24Å; F104-F432 HydrophobicContact CD2-CZ 3.24Å; F104-F432 HydrophobicContact CE1-CZ 4.38Å; F104-F432 HydrophobicContact CE2-CE1 4.06Å; F104-F432 AromaticContact CE2-CE2 3.89Å; F104-F432 HydrophobicContact CE2-CE2 3.89Å; F104-F432 AromaticContact CE2-CZ 3.42Å; F104-F432 HydrophobicContact CE2-CZ 3.42Å; F104-F432 VanDerWaalsContact CE2-CZ 3.42Å; F104-F432 HydrophobicContact CG-CE1 4.17Å; F104-F432 AromaticContact CG-CZ 3.7Å; F104-F432 HydrophobicContact CG-CZ 3.7Å; F104-F432 HydrophobicContact CZ-CE2 4.23Å; F104-F432 HydrophobicContact CZ-CZ 4.01Å; F104-F432 VanDerWaalsContact O-CZ 3.3Å; F104-F432 WeakPolarHBondContact O-CZ 3.19Å
105	H	98.6	Very high	98.3	Very high	45 Å²	45	26.9 Å²	26.9	21%	0.208	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-54.5	174.6	-174.1	97.6	0	0	0	111.5	S101 S102 M103 M107 K108 H109 Y112 D381 I383	S101-H105 PolarHBondContact O-N 3.47Å; S102-H105 WeakPolarHBondContact O-CB 3.1Å; S102-H105 PolarHBondContact O-N 2.99Å; M103-H105 PolarHBondContact O-N 2.95Å; H105-M107 VanDerWaalsContact C-N 3.32Å; H105-M107 PolarHBondContact O-N 3.43Å; H105-K108 PolarHBondContact O-N 2.74Å; H105-H109 AromaticContact CD2-CD2 3.88Å; H105-H109 AromaticContact CE1-CD2 3.65Å; H105-H109 AromaticContact CE1-NE2 3.79Å; H105-H109 AromaticContact CG-CD2 3.86Å; H105-H109 AromaticContact ND1-CD2 3.71Å; H105-H109 AromaticContact ND1-NE2 3.81Å; H105-H109 AromaticContact NE2-CD2 3.73Å; H105-H109 PolarHBondContact O-CD2 3.46Å; H105-H109 VanDerWaalsContact O-CD2 3.24Å; H105-H109 PolarHBondContact O-N 2.83Å; H105-Y112 AromaticContact CD2-CE2 3.78Å; H105-D381 IonicContact CD2-OD2 2.89Å; H105-D381 IonicContact CE1-OD2 2.77Å; H105-D381 IonicContact NE2-OD1 3.93Å; H105-D381 IonicContact NE2-OD2 3.85Å; H105-D381 PolarHBondContact NE2-OD2 3.18Å; H105-I383 HydrophobicContact CB-CG2 4.39Å
106	V	98.7	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-41.7	-178.1	173.8	0	0	0	0	111.5	S102 M103 Y112 R375 I383 I394 L396	S102-V106 WeakPolarHBondContact O-CG2 3.47Å; S102-V106 PolarHBondContact O-N 2.89Å; M103-V106 PolarHBondContact O-N 3.21Å; V106-Y112 HydrophobicContact CB-CD2 4.33Å; V106-Y112 HydrophobicContact CB-CG 4.36Å; V106-Y112 HydrophobicContact CG1-CD1 4.2Å; V106-Y112 HydrophobicContact CG1-CD2 4.27Å; V106-Y112 HydrophobicContact CG1-CG 3.82Å; V106-Y112 VanDerWaalsContact O-CB 3.26Å; V106-Y112 WeakPolarHBondContact O-CB 3.42Å; V106-Y112 WeakPolarHBondContact O-CD2 3.47Å; V106-R375 HydrophobicContact CG1-CB 4.11Å; V106-R375 HydrophobicContact CG1-CG 3.94Å; V106-I383 HydrophobicContact CG2-CD1 3.65Å; V106-I394 HydrophobicContact CG1-CD1 4.37Å; V106-I394 HydrophobicContact CG2-CD1 4.14Å; V106-L396 HydrophobicContact CB-CD1 4.25Å; V106-L396 HydrophobicContact CB-CD2 4.26Å; V106-L396 HydrophobicContact CG1-CD1 3.9Å; V106-L396 HydrophobicContact CG1-CD2 4.28Å; V106-L396 HydrophobicContact CG1-CG 4.44Å; V106-L396 HydrophobicContact CG2-CD2 4.35Å
107	M	98.3	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.7	-30.2	-178.9	-69.5	-160.9	-171.8	0	0	113.3	M103 F104 H105 V373 L396 I398 G431 F432	M103-M107 HydrophobicContact CG-CE 3.93Å; M103-M107 WeakPolarHBondContact O-CB 3.25Å; M103-M107 WeakPolarHBondContact O-CG 3.4Å; M103-M107 PolarHBondContact O-N 3.47Å; M103-M107 HydrophobicContact SD-CE 3.65Å; M103-M107 HydrophobicContact SD-CG 3.97Å; M103-M107 HydrophobicContact SD-SD 3.56Å; F104-M107 PolarHBondContact O-N 2.93Å; H105-M107 VanDerWaalsContact C-N 3.32Å; H105-M107 PolarHBondContact O-N 3.43Å; M107-V373 HydrophobicContact CE-CB 4.41Å; M107-V373 HydrophobicContact CE-CG2 4.17Å; M107-L396 HydrophobicContact CE-CD1 3.56Å; M107-L396 HydrophobicContact CG-CD1 3.87Å; M107-I398 HydrophobicContact CE-CG2 4.06Å; M107-G431 WeakPolarHBondContact SD-CA 3.35Å; M107-F432 HydrophobicContact CB-CD1 3.69Å; M107-F432 HydrophobicContact CB-CE1 3.44Å; M107-F432 VanDerWaalsContact CB-CE1 3.44Å; M107-F432 HydrophobicContact CB-CG 4.42Å; M107-F432 HydrophobicContact CB-CZ 3.96Å; M107-F432 HydrophobicContact CG-CD1 4.45Å; M107-F432 HydrophobicContact CG-CE1 4.36Å; M107-F432 HydrophobicContact SD-CD1 3.96Å; M107-F432 HydrophobicContact SD-CE1 4.31Å
108	K	98.3	Very high	98.2	Very high	116 Å²	116	28.9 Å²	28.9	50%	0.504	15%	0.153	S	C	.	.	H	α-helix	trans	-72.5	-43.8	-178.5	-179.1	-178.4	175.6	-173.3	0	112.9	F104 H105 F432	F104-K108 HydrophobicContact CE1-CD 3.99Å; F104-K108 WeakPolarHBondContact O-CB 3.34Å; F104-K108 PolarHBondContact O-N 2.86Å; H105-K108 PolarHBondContact O-N 2.74Å; K108-F432 HydrophobicContact CB-CE2 3.92Å; K108-F432 HydrophobicContact CB-CZ 4.01Å
109	H	98.1	Very high	98.2	Very high	72 Å²	72	34.5 Å²	34.5	33%	0.333	18%	0.177	S	C	.	.	S	Bend	trans	-85.2	140.2	-168.6	-71.9	-75.9	0	0	0	113.4	H105 N111 Y112	H105-H109 AromaticContact CD2-CD2 3.88Å; H105-H109 AromaticContact CE1-CD2 3.65Å; H105-H109 AromaticContact CE1-NE2 3.79Å; H105-H109 AromaticContact CG-CD2 3.86Å; H105-H109 AromaticContact ND1-CD2 3.71Å; H105-H109 AromaticContact ND1-NE2 3.81Å; H105-H109 AromaticContact NE2-CD2 3.73Å; H105-H109 PolarHBondContact O-CD2 3.46Å; H105-H109 VanDerWaalsContact O-CD2 3.24Å; H105-H109 PolarHBondContact O-N 2.83Å; H109-N111 PolarHBondContact O-N 2.56Å; H109-Y112 HydrophobicContact CB-CD2 4.01Å; H109-Y112 HydrophobicContact CB-CE2 4.16Å; H109-Y112 PolarHBondContact O-N 3.41Å
110	S	96.8	Very high	98.2	Very high	86 Å²	86	35.9 Å²	35.9	60%	0.601	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-63.5	-20.8	176.5	51.6	0	0	0	0	113	Y112 I113	S110-Y112 PolarHBondContact O-N 3.5Å; S110-Y112 VanDerWaalsContact O-N 3.09Å; S110-I113 VanDerWaalsContact O-CG1 3.23Å; S110-I113 WeakPolarHBondContact O-CG1 3.43Å; S110-I113 WeakPolarHBondContact O-CG2 3.32Å; S110-I113 PolarHBondContact O-N 3.04Å
111	N	97.2	Very high	98.2	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.102	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.3	-25.4	174.1	-172.3	14.2	0	0	0	112.8	H109 L378 D379	H109-N111 PolarHBondContact O-N 2.56Å; N111-L378 WeakPolarHBondContact O-CB 3.32Å; N111-L378 VanDerWaalsContact O-CG 3.23Å; N111-L378 WeakPolarHBondContact O-CG 3.49Å; N111-L378 PolarHBondContact O-N 2.99Å; N111-L378 WeakPolarHBondContact OD1-CA 3.06Å; N111-L378 PolarHBondContact OD1-N 3.37Å; N111-D379 PolarHBondContact ND2-O 3.38Å; N111-D379 WeakPolarHBondContact OD1-CA 3.28Å; N111-D379 PolarHBondContact OD1-N 3.08Å; N111-D379 PolarHBondContact OD1-O 3.41Å
112	Y	98.6	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-112.3	27.9	-175	-51.9	-76.8	0	0	0	113.1	H105 V106 H109 S110 S114 R375 A377 D381 I383 I394	H105-Y112 AromaticContact CD2-CE2 3.78Å; V106-Y112 HydrophobicContact CB-CD2 4.33Å; V106-Y112 HydrophobicContact CB-CG 4.36Å; V106-Y112 HydrophobicContact CG1-CD1 4.2Å; V106-Y112 HydrophobicContact CG1-CD2 4.27Å; V106-Y112 HydrophobicContact CG1-CG 3.82Å; V106-Y112 VanDerWaalsContact O-CB 3.26Å; V106-Y112 WeakPolarHBondContact O-CB 3.42Å; V106-Y112 WeakPolarHBondContact O-CD2 3.47Å; H109-Y112 HydrophobicContact CB-CD2 4.01Å; H109-Y112 HydrophobicContact CB-CE2 4.16Å; H109-Y112 PolarHBondContact O-N 3.41Å; S110-Y112 PolarHBondContact O-N 3.5Å; S110-Y112 VanDerWaalsContact O-N 3.09Å; Y112-S114 PolarHBondContact O-N 3.28Å; Y112-R375 WeakPolarHBondContact O-CD 3.42Å; Y112-R375 PolarHBondContact O-NH1 2.96Å; Y112-A377 HydrophobicContact CD1-CB 4.11Å; Y112-A377 HydrophobicContact CE1-CB 3.77Å; Y112-D381 WeakPolarHBondContact OH-CB 3.44Å; Y112-D381 PolarHBondContact OH-OD2 3.47Å; Y112-I383 HydrophobicContact CE1-CD1 4.17Å; Y112-I383 VanDerWaalsContact OH-CD1 3.26Å; Y112-I383 WeakPolarHBondContact OH-CD1 3.43Å; Y112-I394 HydrophobicContact CD1-CD1 3.74Å; Y112-I394 HydrophobicContact CE1-CD1 3.74Å
113	I	98.1	Very high	98.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.188	C	C	.	.			trans	-81.5	19.9	177.5	67.7	-179.1	0	0	0	113.1	S110 P138 W141 L378 P434 R435	S110-I113 VanDerWaalsContact O-CG1 3.23Å; S110-I113 WeakPolarHBondContact O-CG1 3.43Å; S110-I113 WeakPolarHBondContact O-CG2 3.32Å; S110-I113 PolarHBondContact O-N 3.04Å; I113-P138 HydrophobicContact CD1-CB 4.47Å; I113-W141 HydrophobicContact CB-CH2 4.24Å; I113-W141 HydrophobicContact CB-CZ3 4.07Å; I113-W141 HydrophobicContact CD1-CE3 4.29Å; I113-W141 HydrophobicContact CD1-CZ3 3.93Å; I113-W141 HydrophobicContact CG1-CZ3 4.41Å; I113-W141 HydrophobicContact CG2-CH2 4.38Å; I113-W141 HydrophobicContact CG2-CZ3 4.43Å; I113-L378 HydrophobicContact CD1-CD1 4.49Å; I113-L378 HydrophobicContact CG1-CD1 3.7Å; I113-P434 HydrophobicContact CG2-CB 3.7Å; I113-P434 HydrophobicContact CG2-CG 3.45Å; I113-P434 VanDerWaalsContact CG2-CG 3.45Å; I113-R435 VanDerWaalsContact C-CD 3.41Å; I113-R435 HydrophobicContact CB-CB 4.39Å; I113-R435 HydrophobicContact CG2-CB 4.35Å; I113-R435 WeakPolarHBondContact O-CD 3.33Å; I113-R435 PolarHBondContact O-NH1 3.07Å
114	S	98.4	Very high	98.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-116.8	162.7	173.8	-168.4	0	0	0	0	111.6	Y112 N136 R375 R376	Y112-S114 PolarHBondContact O-N 3.28Å; S114-N136 PolarHBondContact OG-O 3.37Å; S114-R375 CarbonylContact O-C 3.57Å; S114-R375 WeakPolarHBondContact O-CA 3.44Å; S114-R376 PolarHBondContact O-N 2.7Å
115	R	98.6	Very high	98.1	Very high	45 Å²	45	37.8 Å²	37.8	17%	0.17	19%	0.188	C	C	.	.			trans	-122.1	173.8	171	-57.8	-161	-173.6	-100.5	11.2	109.2	I133 F134 N136 M374	R115-I133 WeakPolarHBondContact CD-O 3.47Å; R115-I133 PolarHBondContact NE-O 3.25Å; R115-F134 HydrophobicContact CB-CD1 4.01Å; R115-F134 HydrophobicContact CB-CE1 4.14Å; R115-N136 WeakPolarHBondContact O-CB 3.46Å; R115-M374 WeakPolarHBondContact CG-O 3.44Å; R115-M374 PolarHBondContact NH1-O 2.87Å
116	F	98.6	Very high	98.1	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	18%	0.183	C	C	.	.			trans	-133.7	159	179.7	73.7	-82.2	0	0	0	111.6	I89 T94 F134 M374 R375 N393 I395	I89-F116 HydrophobicContact CD1-CE2 4.16Å; I89-F116 HydrophobicContact CD1-CZ 4.39Å; T94-F116 HydrophobicContact CG2-CE1 4.5Å; T94-F116 HydrophobicContact CG2-CE2 4.44Å; T94-F116 HydrophobicContact CG2-CZ 3.86Å; F116-F134 VanDerWaalsContact O-CE1 3.3Å; F116-F134 WeakPolarHBondContact O-CE1 3.33Å; F116-M374 HydrophobicContact CD1-CB 4.15Å; F116-M374 HydrophobicContact CD1-CE 3.99Å; F116-M374 HydrophobicContact CD2-CE 3.92Å; F116-M374 HydrophobicContact CE1-CB 3.8Å; F116-M374 HydrophobicContact CE1-CE 3.6Å; F116-M374 HydrophobicContact CE1-CG 4.07Å; F116-M374 HydrophobicContact CE2-CE 3.52Å; F116-M374 HydrophobicContact CG-CE 4.14Å; F116-M374 HydrophobicContact CZ-CE 3.35Å; F116-M374 HydrophobicContact CZ-CG 4.41Å; F116-M374 VanDerWaalsContact O-CE 3.26Å; F116-M374 WeakPolarHBondContact O-CE 3.19Å; F116-R375 VanDerWaalsContact CD1-O 3.27Å; F116-R375 WeakPolarHBondContact CD1-O 3.45Å; F116-N393 HydrophobicContact CB-CB 4.43Å; F116-N393 WeakPolarHBondContact CB-OD1 3.34Å; F116-N393 HydrophobicContact CD1-CB 3.66Å; F116-N393 HydrophobicContact CD2-CB 3.86Å; F116-N393 VanDerWaalsContact CD2-CG 3.44Å; F116-N393 WeakPolarHBondContact CD2-ND2 3.29Å; F116-N393 HydrophobicContact CE1-CB 3.74Å; F116-N393 HydrophobicContact CE2-CB 3.93Å; F116-N393 HydrophobicContact CG-CB 3.73Å; F116-N393 VanDerWaalsContact CG-OD1 3.26Å; F116-N393 WeakPolarHBondContact CG-OD1 3.48Å; F116-N393 HydrophobicContact CZ-CB 3.86Å; F116-I395 HydrophobicContact CE1-CG1 4.05Å; F116-I395 HydrophobicContact CZ-CD1 4.09Å; F116-I395 HydrophobicContact CZ-CG1 3.79Å
117	G	97.9	Very high	98.1	Very high	27 Å²	27	36.1 Å²	36.1	28%	0.278	18%	0.183	S	C	.	.			trans	173.9	171.1	179	0	0	0	0	0	110.3	K119 L228	G117-K119 PolarHBondContact O-N 3.33Å; G117-L228 CarbonylContact C-O 3.52Å; G117-L228 WeakPolarHBondContact CA-O 3.4Å
118	S	98.1	Very high	98.1	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	19%	0.188	C	C	.	.			trans	-60.5	115.2	174.3	-177.1	0	0	0	0	109.6	R120 G121 L122 L228 K230 F235	S118-R120 PolarHBondContact O-N 3.24Å; S118-G121 PolarHBondContact O-N 2.85Å; S118-G121 PolarHBondContact OG-N 2.79Å; S118-L122 WeakPolarHBondContact O-CG 3.28Å; S118-L122 PolarHBondContact O-N 2.9Å; S118-L228 WeakPolarHBondContact CB-O 3.19Å; S118-L228 PolarHBondContact N-O 2.82Å; S118-K230 WeakPolarHBondContact CB-O 3.48Å; S118-K230 PolarHBondContact OG-O 3.39Å; S118-F235 WeakPolarHBondContact OG-CE2 2.8Å
119	K	98	Very high	98.1	Very high	120 Å²	120	35.5 Å²	35.5	52%	0.522	18%	0.181	S	C	.	.	H	α-helix	trans	-51.8	-44.8	177	175.1	167.7	174.8	158.9	0	111.5	G117 L122 Q123 H128	G117-K119 PolarHBondContact O-N 3.33Å; K119-L122 PolarHBondContact O-N 3.27Å; K119-Q123 HydrophobicContact CG-CG 4.42Å; K119-Q123 WeakPolarHBondContact O-CB 3.33Å; K119-Q123 WeakPolarHBondContact O-CG 3.42Å; K119-Q123 PolarHBondContact O-N 3.02Å; K119-H128 WeakPolarHBondContact CE-NE2 3.21Å
120	R	97.8	Very high	98	Very high	112 Å²	112	33.9 Å²	33.9	42%	0.423	18%	0.176	S	C	.	.	H	α-helix	trans	-65.6	-40.7	177.6	-70.7	-170.5	173.4	-155.4	-4.1	112.6	S118 Q123 C124 F235	S118-R120 PolarHBondContact O-N 3.24Å; R120-Q123 PolarHBondContact O-N 2.92Å; R120-C124 WeakPolarHBondContact O-CB 3.12Å; R120-C124 PolarHBondContact O-N 3.37Å; R120-F235 HydrophobicContact CB-CB 4.41Å; R120-F235 HydrophobicContact CB-CD1 3.95Å; R120-F235 HydrophobicContact CB-CD2 3.77Å; R120-F235 HydrophobicContact CB-CE1 4.09Å; R120-F235 HydrophobicContact CB-CE2 3.93Å; R120-F235 HydrophobicContact CB-CG 3.78Å; R120-F235 HydrophobicContact CB-CZ 4.08Å; R120-F235 HydrophobicContact CG-CG 4.47Å; R120-F235 PolarHBondContact NH1-O 3.12Å
121	G	98.2	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-48	175	0	0	0	0	0	112	S118 Q123 C124 V125	S118-G121 PolarHBondContact O-N 2.85Å; S118-G121 PolarHBondContact OG-N 2.79Å; G121-Q123 PolarHBondContact O-N 3.03Å; G121-C124 WeakPolarHBondContact O-CB 3.46Å; G121-C124 PolarHBondContact O-N 3.21Å; G121-V125 PolarHBondContact O-N 2.48Å; G121-V125 VanDerWaalsContact O-N 3.08Å
122	L	98.5	Very high	98.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-37.8	177.4	-66.7	178.4	0	0	0	112.3	S118 K119 G126 M127 H128 F134 L228	S118-L122 WeakPolarHBondContact O-CG 3.28Å; S118-L122 PolarHBondContact O-N 2.9Å; K119-L122 PolarHBondContact O-N 3.27Å; L122-G126 CarbonylContact O-C 3.48Å; L122-G126 WeakPolarHBondContact O-CA 3.47Å; L122-G126 PolarHBondContact O-N 3.32Å; L122-M127 HydrophobicContact CD2-CB 4.05Å; L122-M127 PolarHBondContact O-N 3.32Å; L122-H128 HydrophobicContact CB-CB 3.79Å; L122-H128 PolarHBondContact O-N 3.38Å; L122-F134 HydrophobicContact CD2-CB 3.72Å; L122-F134 HydrophobicContact CD2-CD1 4.15Å; L122-F134 HydrophobicContact CD2-CG 4.04Å; L122-L228 HydrophobicContact CD2-CD1 3.75Å
123	Q	98.2	Very high	98.1	Very high	97 Å²	97	31.5 Å²	31.5	45%	0.453	16%	0.155	S	C	.	.	H	α-helix	trans	-62.8	-44.1	172.6	-76.6	172.8	-34.2	0	0	111.4	K119 R120 G121 V125 G126 H128	K119-Q123 HydrophobicContact CG-CG 4.42Å; K119-Q123 WeakPolarHBondContact O-CB 3.33Å; K119-Q123 WeakPolarHBondContact O-CG 3.42Å; K119-Q123 PolarHBondContact O-N 3.02Å; R120-Q123 PolarHBondContact O-N 2.92Å; G121-Q123 PolarHBondContact O-N 3.03Å; Q123-V125 PolarHBondContact O-N 2.99Å; Q123-G126 PolarHBondContact O-N 2.8Å; Q123-G126 VanDerWaalsContact O-N 3.16Å; Q123-H128 HydrophobicContact CB-CB 4.42Å; Q123-H128 HydrophobicContact CG-CB 3.66Å
124	C	97.7	Very high	98.1	Very high	25 Å²	25	31.7 Å²	31.7	17%	0.169	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-49.1	178.2	-175.9	0	0	0	0	111.6	R120 G121 G126 L227 K252	R120-C124 WeakPolarHBondContact O-CB 3.12Å; R120-C124 PolarHBondContact O-N 3.37Å; G121-C124 WeakPolarHBondContact O-CB 3.46Å; G121-C124 PolarHBondContact O-N 3.21Å; C124-G126 VanDerWaalsContact C-N 3.3Å; C124-G126 PolarHBondContact O-N 3.13Å; C124-L227 HydrophobicContact CB-CD1 3.98Å; C124-K252 PolarHBondContact O-NZ 2.67Å
125	V	98	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-81.3	-6.9	178.2	-56.3	0	0	0	0	114	G121 Q123 M127 Y220 A223 W224 L227 A248 K252	G121-V125 PolarHBondContact O-N 2.48Å; G121-V125 VanDerWaalsContact O-N 3.08Å; Q123-V125 PolarHBondContact O-N 2.99Å; V125-M127 HydrophobicContact CG2-CB 4.16Å; V125-M127 HydrophobicContact CG2-CG 4.02Å; V125-M127 HydrophobicContact CG2-SD 4.27Å; V125-Y220 HydrophobicContact CB-CE2 4.19Å; V125-Y220 WeakPolarHBondContact O-CE2 3.3Å; V125-Y220 PolarHBondContact O-OH 2.96Å; V125-A223 HydrophobicContact CG1-CB 4.28Å; V125-W224 HydrophobicContact CG1-CB 4.32Å; V125-L227 HydrophobicContact CG1-CD1 4.42Å; V125-A248 HydrophobicContact CG1-CB 4.39Å; V125-K252 WeakPolarHBondContact O-CE 3.3Å; V125-K252 PolarHBondContact O-NZ 3.27Å
126	G	97.9	Very high	98	Very high	10 Å²	10	31.7 Å²	31.7	10%	0.103	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	9.5	175.5	0	0	0	0	0	115.3	L122 Q123 C124 N130 K252 Q298	L122-G126 CarbonylContact O-C 3.48Å; L122-G126 WeakPolarHBondContact O-CA 3.47Å; L122-G126 PolarHBondContact O-N 3.32Å; Q123-G126 PolarHBondContact O-N 2.8Å; Q123-G126 VanDerWaalsContact O-N 3.16Å; C124-G126 VanDerWaalsContact C-N 3.3Å; C124-G126 PolarHBondContact O-N 3.13Å; G126-N130 VanDerWaalsContact O-CB 3.31Å; G126-N130 WeakPolarHBondContact O-CB 3.27Å; G126-K252 VanDerWaalsContact CA-NZ 3.27Å; G126-Q298 VanDerWaalsContact O-CD 3.31Å; G126-Q298 WeakPolarHBondContact O-CG 3.39Å; G126-Q298 PolarHBondContact O-OE1 3.16Å
127	M	98.6	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.			trans	-92.9	-2.5	-179.7	-67.8	-176.8	174.1	0	0	114	L122 V125 E129 I133 F134 Y220 W224 E302 I305	L122-M127 HydrophobicContact CD2-CB 4.05Å; L122-M127 PolarHBondContact O-N 3.32Å; V125-M127 HydrophobicContact CG2-CB 4.16Å; V125-M127 HydrophobicContact CG2-CG 4.02Å; V125-M127 HydrophobicContact CG2-SD 4.27Å; M127-E129 PolarHBondContact O-N 3.12Å; M127-I133 HydrophobicContact CE-CD1 4.29Å; M127-F134 HydrophobicContact CB-CB 4.02Å; M127-F134 CarbonylContact O-C 3.59Å; M127-F134 HydrophobicContact SD-CB 4.06Å; M127-F134 HydrophobicContact SD-CD2 4.28Å; M127-Y220 HydrophobicContact CE-CE1 3.86Å; M127-Y220 WeakPolarHBondContact CE-OH 3.3Å; M127-W224 HydrophobicContact CE-CD2 4.06Å; M127-W224 HydrophobicContact CE-CE3 4.31Å; M127-W224 HydrophobicContact CE-CG 4.47Å; M127-W224 HydrophobicContact CE-CZ2 4.23Å; M127-W224 HydrophobicContact SD-CD2 4.3Å; M127-W224 HydrophobicContact SD-CG 4.39Å; M127-W224 HydrophobicContact SD-CZ2 4.26Å; M127-E302 HydrophobicContact CE-CG 4.4Å; M127-I305 HydrophobicContact CE-CD1 4.3Å
128	H	98.4	Very high	98	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.116	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	113.7	175.8	-177.4	51.9	0	0	0	109.7	K119 L122 Q123 N130	K119-H128 WeakPolarHBondContact CE-NE2 3.21Å; L122-H128 HydrophobicContact CB-CB 3.79Å; L122-H128 PolarHBondContact O-N 3.38Å; Q123-H128 HydrophobicContact CB-CB 4.42Å; Q123-H128 HydrophobicContact CG-CB 3.66Å; H128-N130 PolarHBondContact O-N 3.23Å; H128-N130 VanDerWaalsContact O-N 3.09Å; H128-N130 PolarHBondContact O-ND2 3.44Å
129	E	97.6	Very high	97.9	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.36	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	30.6	-178	-52.8	-167.3	123.7	0	0	113.8	M127 N135 N137 L140	M127-E129 PolarHBondContact O-N 3.12Å; E129-N135 WeakPolarHBondContact CA-OD1 3.44Å; E129-N137 HydrophobicContact CB-CB 4.2Å; E129-N137 HydrophobicContact CG-CB 3.92Å; E129-N137 WeakPolarHBondContact OE1-CB 3.35Å; E129-N137 PolarHBondContact OE1-ND2 2.87Å; E129-L140 WeakPolarHBondContact O-CD2 3.36Å
130	N	96.6	Very high	97.9	Very high	39 Å²	39	34.7 Å²	34.7	21%	0.209	18%	0.176	C	C	.	.	S	Bend	trans	-140	156.7	174.4	-68.9	-56.2	0	0	0	109.5	G126 H128 N135 N295 Q298	G126-N130 VanDerWaalsContact O-CB 3.31Å; G126-N130 WeakPolarHBondContact O-CB 3.27Å; H128-N130 PolarHBondContact O-N 3.23Å; H128-N130 VanDerWaalsContact O-N 3.09Å; H128-N130 PolarHBondContact O-ND2 3.44Å; N130-N135 WeakPolarHBondContact O-CB 3.43Å; N130-N295 WeakPolarHBondContact CA-OD1 3.36Å; N130-N295 VanDerWaalsContact OD1-CG 3.3Å; N130-N295 PolarHBondContact OD1-ND2 3.38Å; N130-N295 PolarHBondContact OD1-OD1 3.41Å; N130-Q298 HydrophobicContact CB-CB 4.15Å; N130-Q298 HydrophobicContact CB-CG 3.9Å
131	G	97.6	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	65.6	-152.3	-176.3	0	0	0	0	0	112.2	N135	G131-N135 WeakPolarHBondContact O-CB 3.38Å; G131-N135 PolarHBondContact O-ND2 3.24Å
132	I	98.5	Very high	97.9	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.072	18%	0.18	C	C	.	.	S	Bend	trans	-132.7	-23.1	-180	64.8	160.2	0	0	0	114.6	I144 R145 F148 E302 R435 A438	I132-I144 HydrophobicContact CG2-CB 3.96Å; I132-I144 HydrophobicContact CG2-CG2 3.43Å; I132-I144 VanDerWaalsContact CG2-CG2 3.43Å; I132-R145 HydrophobicContact CG2-CB 4.35Å; I132-F148 HydrophobicContact CB-CE2 4.38Å; I132-F148 HydrophobicContact CD1-CB 3.89Å; I132-F148 HydrophobicContact CD1-CD1 3.6Å; I132-F148 HydrophobicContact CD1-CD2 3.63Å; I132-F148 HydrophobicContact CD1-CE1 3.96Å; I132-F148 HydrophobicContact CD1-CE2 3.97Å; I132-F148 HydrophobicContact CD1-CG 3.42Å; I132-F148 VanDerWaalsContact CD1-CG 3.42Å; I132-F148 HydrophobicContact CD1-CZ 4.12Å; I132-F148 HydrophobicContact CG1-CD1 4.23Å; I132-F148 HydrophobicContact CG1-CD2 3.98Å; I132-F148 HydrophobicContact CG1-CE1 4.08Å; I132-F148 HydrophobicContact CG1-CE2 3.8Å; I132-F148 HydrophobicContact CG1-CG 4.19Å; I132-F148 HydrophobicContact CG1-CZ 3.85Å; I132-F148 HydrophobicContact CG2-CD2 3.81Å; I132-F148 HydrophobicContact CG2-CE2 3.71Å; I132-E302 PolarHBondContact N-OE2 2.95Å; I132-R435 PolarHBondContact O-NH2 3.45Å; I132-R435 VanDerWaalsContact O-NH2 3.14Å; I132-A438 HydrophobicContact CD1-CB 4.4Å
133	I	98.4	Very high	97.9	Very high	41 Å²	41	38.4 Å²	38.4	21%	0.21	20%	0.2	C	C	.	.	S	Bend	trans	-64.4	-59.5	-171.5	-60.6	171.5	0	0	0	109.2	R115 M127 W224 E302 R435	R115-I133 WeakPolarHBondContact CD-O 3.47Å; R115-I133 PolarHBondContact NE-O 3.25Å; M127-I133 HydrophobicContact CE-CD1 4.29Å; I133-W224 HydrophobicContact CG2-CH2 3.91Å; I133-W224 HydrophobicContact CG2-CZ2 3.75Å; I133-E302 HydrophobicContact CD1-CB 3.94Å; I133-E302 HydrophobicContact CD1-CG 3.79Å; I133-E302 HydrophobicContact CG1-CB 4.42Å; I133-E302 HydrophobicContact CG1-CG 4.25Å; I133-E302 WeakPolarHBondContact CG1-OE2 3.19Å; I133-E302 PolarHBondContact N-OE2 3.4Å; I133-R435 PolarHBondContact O-NH2 3.46Å
134	F	98.6	Very high	97.9	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.039	18%	0.179	C	C	.	.	S	Bend	trans	-111.7	10.3	177.8	-89.2	-91.4	0	0	0	114.5	R115 F116 L122 M127 N136 W224 L228 M374	R115-F134 HydrophobicContact CB-CD1 4.01Å; R115-F134 HydrophobicContact CB-CE1 4.14Å; F116-F134 VanDerWaalsContact O-CE1 3.3Å; F116-F134 WeakPolarHBondContact O-CE1 3.33Å; L122-F134 HydrophobicContact CD2-CB 3.72Å; L122-F134 HydrophobicContact CD2-CD1 4.15Å; L122-F134 HydrophobicContact CD2-CG 4.04Å; M127-F134 HydrophobicContact CB-CB 4.02Å; M127-F134 CarbonylContact O-C 3.59Å; M127-F134 HydrophobicContact SD-CB 4.06Å; M127-F134 HydrophobicContact SD-CD2 4.28Å; F134-N136 PolarHBondContact O-N 2.91Å; F134-W224 AromaticContact CD2-CE2 3.83Å; F134-W224 AromaticContact CD2-CZ2 3.51Å; F134-W224 HydrophobicContact CD2-CZ2 3.51Å; F134-W224 AromaticContact CD2-NE1 3.56Å; F134-W224 AromaticContact CE2-CE2 3.83Å; F134-W224 AromaticContact CE2-CZ2 3.4Å; F134-W224 HydrophobicContact CE2-CZ2 3.4Å; F134-W224 VanDerWaalsContact CE2-CZ2 3.4Å; F134-W224 AromaticContact CE2-NE1 3.67Å; F134-L228 HydrophobicContact CD1-CD1 3.84Å; F134-L228 HydrophobicContact CE1-CD1 3.62Å; F134-L228 HydrophobicContact CE1-CD2 4.06Å; F134-L228 HydrophobicContact CE1-CG 4.39Å; F134-L228 HydrophobicContact CE2-CD2 4.44Å; F134-L228 HydrophobicContact CG-CD1 4.39Å; F134-L228 HydrophobicContact CZ-CD1 4Å; F134-L228 HydrophobicContact CZ-CD2 3.74Å; F134-M374 HydrophobicContact CE1-CE 4.25Å; F134-M374 HydrophobicContact CE1-SD 3.92Å; F134-M374 HydrophobicContact CZ-SD 3.7Å
135	N	98.5	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.			trans	-58.9	107.7	171.4	-170.9	-18.9	0	0	0	110.7	E129 N130 G131 N137 W141 R435	E129-N135 WeakPolarHBondContact CA-OD1 3.44Å; N130-N135 WeakPolarHBondContact O-CB 3.43Å; G131-N135 WeakPolarHBondContact O-CB 3.38Å; G131-N135 PolarHBondContact O-ND2 3.24Å; N135-N137 WeakPolarHBondContact OD1-CB 3.3Å; N135-N137 PolarHBondContact OD1-N 2.94Å; N135-N137 PolarHBondContact OD1-O 3.22Å; N135-W141 HydrophobicContact CB-CB 4.47Å; N135-R435 VanDerWaalsContact O-CZ 3.28Å; N135-R435 PolarHBondContact O-NH1 3.3Å; N135-R435 PolarHBondContact O-NH2 3.06Å
136	N	97.3	Very high	98	Very high	47 Å²	47	37.2 Å²	37.2	25%	0.251	20%	0.197	S	C	.	.			trans	-96.9	0.8	-174.8	63.2	-36.3	0	0	0	113.3	S114 R115 F134 P138	S114-N136 PolarHBondContact OG-O 3.37Å; R115-N136 WeakPolarHBondContact O-CB 3.46Å; F134-N136 PolarHBondContact O-N 2.91Å; N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.23Å
137	N	98.1	Very high	98	Very high	44 Å²	44	38.3 Å²	38.3	24%	0.235	20%	0.199	C	C	.	.			trans	-82.3	109.6	170	-173.2	-55.5	0	0	0	109.3	E129 N135 D139 L140 W141	E129-N137 HydrophobicContact CB-CB 4.2Å; E129-N137 HydrophobicContact CG-CB 3.92Å; E129-N137 WeakPolarHBondContact OE1-CB 3.35Å; E129-N137 PolarHBondContact OE1-ND2 2.87Å; N135-N137 WeakPolarHBondContact OD1-CB 3.3Å; N135-N137 PolarHBondContact OD1-N 2.94Å; N135-N137 PolarHBondContact OD1-O 3.22Å; N137-D139 VanDerWaalsContact C-N 3.32Å; N137-D139 PolarHBondContact O-N 3.49Å; N137-D139 PolarHBondContact OD1-N 2.99Å; N137-L140 HydrophobicContact CB-CB 4.13Å; N137-L140 PolarHBondContact OD1-N 2.87Å; N137-L140 VanDerWaalsContact OD1-N 3.1Å; N137-W141 WeakPolarHBondContact O-CB 3.26Å; N137-W141 PolarHBondContact O-N 3.4Å
138	P	97.1	Very high	98	Very high	32 Å²	32	38.7 Å²	38.7	21%	0.208	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-35.3	-171.7	-24.5	36.2	0	0	0	113.8	I113 N136 K142 L378	I113-P138 HydrophobicContact CD1-CB 4.47Å; N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.23Å; P138-K142 WeakPolarHBondContact O-CB 3.4Å; P138-K142 WeakPolarHBondContact O-CG 3.48Å; P138-K142 PolarHBondContact O-N 3.47Å; P138-L378 HydrophobicContact CB-CD1 4.42Å; P138-L378 HydrophobicContact CG-CD1 4.03Å; P138-L378 HydrophobicContact CG-CD2 4.01Å
139	D	97.3	Very high	98	Very high	110 Å²	110	40.2 Å²	40.2	59%	0.588	21%	0.209	S	C	*	.	H	α-helix	trans	-75	-47.3	-175.7	-61.5	-35.8	0	0	0	110.5	N137 W141 K142 T143	N137-D139 VanDerWaalsContact C-N 3.32Å; N137-D139 PolarHBondContact O-N 3.49Å; N137-D139 PolarHBondContact OD1-N 2.99Å; D139-W141 VanDerWaalsContact C-N 3.34Å; D139-W141 PolarHBondContact O-N 3.22Å; D139-K142 WeakPolarHBondContact O-CB 3.49Å; D139-K142 PolarHBondContact O-N 3.09Å; D139-K142 IonicContact OD1-NZ 3.39Å; D139-T143 PolarHBondContact O-N 3.35Å; D139-T143 VanDerWaalsContact O-N 3.08Å; D139-T143 PolarHBondContact O-OG1 3.49Å
140	L	97.6	Very high	98	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-40.3	175.7	-174.1	58.8	0	0	0	111.8	E129 N137 K142 T143 I144	E129-L140 WeakPolarHBondContact O-CD2 3.36Å; N137-L140 HydrophobicContact CB-CB 4.13Å; N137-L140 PolarHBondContact OD1-N 2.87Å; N137-L140 VanDerWaalsContact OD1-N 3.1Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.01Å; L140-T143 PolarHBondContact O-N 2.96Å; L140-I144 HydrophobicContact CD1-CD1 3.79Å; L140-I144 HydrophobicContact CD1-CG1 4.1Å; L140-I144 HydrophobicContact CD2-CD1 4.36Å; L140-I144 HydrophobicContact CG-CD1 3.7Å; L140-I144 HydrophobicContact CG-CG1 4.36Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 3.48Å
141	W	98.5	Very high	98	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.038	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-40.5	174.7	173.3	87.4	0	0	0	112.3	I113 N135 N137 D139 T143 I144 R145 P434 R435	I113-W141 HydrophobicContact CB-CH2 4.24Å; I113-W141 HydrophobicContact CB-CZ3 4.07Å; I113-W141 HydrophobicContact CD1-CE3 4.29Å; I113-W141 HydrophobicContact CD1-CZ3 3.93Å; I113-W141 HydrophobicContact CG1-CZ3 4.41Å; I113-W141 HydrophobicContact CG2-CH2 4.38Å; I113-W141 HydrophobicContact CG2-CZ3 4.43Å; N135-W141 HydrophobicContact CB-CB 4.47Å; N137-W141 WeakPolarHBondContact O-CB 3.26Å; N137-W141 PolarHBondContact O-N 3.4Å; D139-W141 VanDerWaalsContact C-N 3.34Å; D139-W141 PolarHBondContact O-N 3.22Å; W141-T143 VanDerWaalsContact C-N 3.3Å; W141-T143 PolarHBondContact O-N 3.11Å; W141-I144 PolarHBondContact O-N 3.28Å; W141-R145 VanDerWaalsContact CH2-CD 3.49Å; W141-R145 HydrophobicContact CZ2-CG 4.42Å; W141-R145 WeakPolarHBondContact O-CB 3.41Å; W141-R145 PolarHBondContact O-N 3.02Å; W141-P434 VanDerWaalsContact CH2-O 3.29Å; W141-P434 WeakPolarHBondContact CH2-O 3.28Å; W141-R435 HydrophobicContact CH2-CB 3.95Å; W141-R435 HydrophobicContact CH2-CG 4.3Å; W141-R435 HydrophobicContact CZ2-CB 3.59Å; W141-R435 HydrophobicContact CZ2-CG 3.49Å; W141-R435 VanDerWaalsContact CZ2-CG 3.49Å
142	K	97.8	Very high	98	Very high	112 Å²	112	42 Å²	42	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-34.8	175.7	-78	169.2	-168.5	167	0	111.9	P138 D139 L140 P146	P138-K142 WeakPolarHBondContact O-CB 3.4Å; P138-K142 WeakPolarHBondContact O-CG 3.48Å; P138-K142 PolarHBondContact O-N 3.47Å; D139-K142 WeakPolarHBondContact O-CB 3.49Å; D139-K142 PolarHBondContact O-N 3.09Å; D139-K142 IonicContact OD1-NZ 3.39Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.01Å; K142-P146 WeakPolarHBondContact O-CD 3.3Å; K142-P146 WeakPolarHBondContact O-CG 3.46Å
143	T	97.6	Very high	97.8	Very high	71 Å²	71	43.4 Å²	43.4	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-73	-40.6	177.2	-58.1	0	0	0	0	112.5	D139 L140 W141 P146	D139-T143 PolarHBondContact O-N 3.35Å; D139-T143 VanDerWaalsContact O-N 3.08Å; D139-T143 PolarHBondContact O-OG1 3.49Å; L140-T143 PolarHBondContact O-N 2.96Å; W141-T143 VanDerWaalsContact C-N 3.3Å; W141-T143 PolarHBondContact O-N 3.11Å; T143-P146 WeakPolarHBondContact O-CD 3.35Å
144	I	98.5	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-81	-40.1	-175.2	-63.8	172.4	0	0	0	112.4	I132 L140 W141 P146 F147 F148 L291 N295 C299	I132-I144 HydrophobicContact CG2-CB 3.96Å; I132-I144 HydrophobicContact CG2-CG2 3.43Å; I132-I144 VanDerWaalsContact CG2-CG2 3.43Å; L140-I144 HydrophobicContact CD1-CD1 3.79Å; L140-I144 HydrophobicContact CD1-CG1 4.1Å; L140-I144 HydrophobicContact CD2-CD1 4.36Å; L140-I144 HydrophobicContact CG-CD1 3.7Å; L140-I144 HydrophobicContact CG-CG1 4.36Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 3.48Å; W141-I144 PolarHBondContact O-N 3.28Å; I144-P146 VanDerWaalsContact C-CD 3.41Å; I144-P146 VanDerWaalsContact C-N 3.35Å; I144-F147 WeakPolarHBondContact O-CB 3.22Å; I144-F147 WeakPolarHBondContact O-CD2 3.21Å; I144-F147 PolarHBondContact O-N 2.98Å; I144-F147 VanDerWaalsContact O-N 3.09Å; I144-F148 HydrophobicContact CG2-CD2 4.3Å; I144-F148 HydrophobicContact CG2-CE2 3.95Å; I144-L291 HydrophobicContact CD1-CD2 4.47Å; I144-L291 HydrophobicContact CG1-CD2 3.72Å; I144-N295 HydrophobicContact CD1-CB 4.45Å; I144-N295 WeakPolarHBondContact CD1-OD1 3.27Å; I144-C299 WeakPolarHBondContact CG2-SG 3.42Å
145	R	98.5	Very high	97.3	Very high	25 Å²	25	47.7 Å²	47.7	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-54.1	-38	-174.4	176.7	170.3	-179.5	87.7	-4.8	115.2	I132 W141 F147 F148 M149 P434 S436	I132-R145 HydrophobicContact CG2-CB 4.35Å; W141-R145 VanDerWaalsContact CH2-CD 3.49Å; W141-R145 HydrophobicContact CZ2-CG 4.42Å; W141-R145 WeakPolarHBondContact O-CB 3.41Å; W141-R145 PolarHBondContact O-N 3.02Å; R145-F147 PolarHBondContact O-N 2.91Å; R145-F148 PolarHBondContact O-N 3.01Å; R145-F148 VanDerWaalsContact O-N 3.13Å; R145-M149 HydrophobicContact CG-CG 4.01Å; R145-M149 WeakPolarHBondContact O-CG 3.48Å; R145-M149 PolarHBondContact O-N 3.3Å; R145-P434 VanDerWaalsContact CZ-O 3.26Å; R145-P434 PolarHBondContact NE-O 2.89Å; R145-P434 PolarHBondContact NH2-O 3.36Å; R145-P434 VanDerWaalsContact NH2-O 3.12Å; R145-S436 PolarHBondContact NH1-O 2.82Å; R145-S436 PolarHBondContact NH2-O 2.62Å
146	P	98.4	Very high	97.1	Very high	72 Å²	72	48 Å²	48	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-53.3	-35	176	-30.6	36.8	0	0	0	114.5	K142 T143 I144 F148 M149 K150	K142-P146 WeakPolarHBondContact O-CD 3.3Å; K142-P146 WeakPolarHBondContact O-CG 3.46Å; T143-P146 WeakPolarHBondContact O-CD 3.35Å; I144-P146 VanDerWaalsContact C-CD 3.41Å; I144-P146 VanDerWaalsContact C-N 3.35Å; P146-F148 PolarHBondContact O-N 3.49Å; P146-M149 PolarHBondContact O-N 3.03Å; P146-K150 WeakPolarHBondContact O-CB 3.32Å; P146-K150 PolarHBondContact O-N 2.81Å
147	F	98.4	Very high	97	Very high	34 Å²	34	47.2 Å²	47.2	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-45.3	176.8	-68.5	-85.7	0	0	0	111.7	I144 R145 K150 A151 F278 D281 L282 A285 L291	I144-F147 WeakPolarHBondContact O-CB 3.22Å; I144-F147 WeakPolarHBondContact O-CD2 3.21Å; I144-F147 PolarHBondContact O-N 2.98Å; I144-F147 VanDerWaalsContact O-N 3.09Å; R145-F147 PolarHBondContact O-N 2.91Å; F147-K150 PolarHBondContact O-N 2.91Å; F147-A151 PolarHBondContact O-N 2.92Å; F147-A151 VanDerWaalsContact O-N 3.12Å; F147-F278 HydrophobicContact CB-CE2 4.06Å; F147-D281 HydrophobicContact CD1-CB 4.12Å; F147-D281 HydrophobicContact CE1-CB 4.46Å; F147-L282 HydrophobicContact CB-CD2 3.84Å; F147-L282 HydrophobicContact CD1-CD2 3.89Å; F147-L282 HydrophobicContact CD1-CG 4.45Å; F147-L282 HydrophobicContact CD2-CD2 4.09Å; F147-L282 HydrophobicContact CE1-CD2 4.5Å; F147-L282 HydrophobicContact CG-CD2 3.67Å; F147-A285 HydrophobicContact CE1-CB 3.77Å; F147-A285 HydrophobicContact CE2-CB 4.38Å; F147-A285 HydrophobicContact CZ-CB 3.43Å; F147-A285 VanDerWaalsContact CZ-CB 3.43Å; F147-L291 HydrophobicContact CD2-CD1 4.35Å; F147-L291 HydrophobicContact CE2-CD1 3.97Å; F147-L291 HydrophobicContact CZ-CD1 4.25Å
148	F	98.6	Very high	96.9	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-45.8	175.1	-74.8	-100.1	0	0	0	111.3	I132 I144 R145 P146 K150 A151 L152 F278 C299 E302 M303 A438	I132-F148 HydrophobicContact CB-CE2 4.38Å; I132-F148 HydrophobicContact CD1-CB 3.89Å; I132-F148 HydrophobicContact CD1-CD1 3.6Å; I132-F148 HydrophobicContact CD1-CD2 3.63Å; I132-F148 HydrophobicContact CD1-CE1 3.96Å; I132-F148 HydrophobicContact CD1-CE2 3.97Å; I132-F148 HydrophobicContact CD1-CG 3.42Å; I132-F148 VanDerWaalsContact CD1-CG 3.42Å; I132-F148 HydrophobicContact CD1-CZ 4.12Å; I132-F148 HydrophobicContact CG1-CD1 4.23Å; I132-F148 HydrophobicContact CG1-CD2 3.98Å; I132-F148 HydrophobicContact CG1-CE1 4.08Å; I132-F148 HydrophobicContact CG1-CE2 3.8Å; I132-F148 HydrophobicContact CG1-CG 4.19Å; I132-F148 HydrophobicContact CG1-CZ 3.85Å; I132-F148 HydrophobicContact CG2-CD2 3.81Å; I132-F148 HydrophobicContact CG2-CE2 3.71Å; I144-F148 HydrophobicContact CG2-CD2 4.3Å; I144-F148 HydrophobicContact CG2-CE2 3.95Å; R145-F148 PolarHBondContact O-N 3.01Å; R145-F148 VanDerWaalsContact O-N 3.13Å; P146-F148 PolarHBondContact O-N 3.49Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 3.48Å; F148-A151 PolarHBondContact O-N 3.34Å; F148-L152 HydrophobicContact CB-CD1 4.23Å; F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.39Å; F148-L152 WeakPolarHBondContact O-CD1 3.45Å; F148-L152 WeakPolarHBondContact O-CG 3.4Å; F148-L152 PolarHBondContact O-N 2.84Å; F148-F278 HydrophobicContact CD1-CE2 4.21Å; F148-F278 HydrophobicContact CD1-CZ 4.02Å; F148-F278 AromaticContact CD2-CE2 3.95Å; F148-F278 HydrophobicContact CD2-CE2 3.95Å; F148-F278 AromaticContact CD2-CZ 3.98Å; F148-F278 HydrophobicContact CD2-CZ 3.98Å; F148-F278 HydrophobicContact CE1-CE2 4.41Å; F148-F278 AromaticContact CE1-CZ 3.77Å; F148-F278 HydrophobicContact CE1-CZ 3.77Å; F148-F278 HydrophobicContact CE2-CE2 4.17Å; F148-F278 AromaticContact CE2-CZ 3.73Å; F148-F278 HydrophobicContact CE2-CZ 3.73Å; F148-F278 AromaticContact CG-CE2 3.98Å; F148-F278 HydrophobicContact CG-CE2 3.98Å; F148-F278 HydrophobicContact CG-CZ 4.12Å; F148-F278 HydrophobicContact CZ-CE1 4.49Å; F148-F278 HydrophobicContact CZ-CE2 4.4Å; F148-F278 AromaticContact CZ-CZ 3.62Å; F148-F278 HydrophobicContact CZ-CZ 3.62Å; F148-C299 HydrophobicContact CE2-CB 3.9Å; F148-C299 HydrophobicContact CZ-CB 3.93Å; F148-C299 WeakPolarHBondContact CZ-O 3.3Å; F148-E302 HydrophobicContact CE1-CB 4.5Å; F148-E302 HydrophobicContact CZ-CB 4.29Å; F148-M303 HydrophobicContact CB-CE 4.46Å; F148-M303 HydrophobicContact CD1-CE 3.32Å; F148-M303 HydrophobicContact CD1-SD 4.22Å; F148-M303 HydrophobicContact CE1-CB 4.19Å; F148-M303 HydrophobicContact CE1-CE 3.77Å; F148-M303 HydrophobicContact CE1-SD 4.38Å; F148-M303 HydrophobicContact CG-CE 4.09Å; F148-A438 HydrophobicContact CB-CB 4.35Å
149	M	98	Very high	96.8	Very high	57 Å²	57	53.2 Å²	53.2	28%	0.281	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-41	-179.1	-66	-56.9	-55	0	0	111.9	R145 P146 T153 A438	R145-M149 HydrophobicContact CG-CG 4.01Å; R145-M149 WeakPolarHBondContact O-CG 3.48Å; R145-M149 PolarHBondContact O-N 3.3Å; P146-M149 PolarHBondContact O-N 3.03Å; M149-T153 WeakPolarHBondContact O-CB 3.47Å; M149-T153 WeakPolarHBondContact O-CG2 3.39Å; M149-T153 PolarHBondContact O-N 2.67Å; M149-T153 PolarHBondContact O-OG1 2.84Å; M149-A438 HydrophobicContact SD-CB 3.91Å
150	K	97.2	Very high	96.8	Very high	125 Å²	125	48 Å²	48	54%	0.543	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-46.9	176.1	-176.4	-170.4	173.5	-159.4	0	111.2	P146 F147 F148 D281	P146-K150 WeakPolarHBondContact O-CB 3.32Å; P146-K150 PolarHBondContact O-N 2.81Å; F147-K150 PolarHBondContact O-N 2.91Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 3.48Å; K150-D281 WeakPolarHBondContact CE-OD2 3.49Å; K150-D281 VanDerWaalsContact NZ-CG 3.26Å; K150-D281 IonicContact NZ-OD1 3.89Å; K150-D281 PolarHBondContact NZ-OD1 3.26Å; K150-D281 IonicContact NZ-OD2 3.74Å; K150-D281 PolarHBondContact NZ-OD2 3.33Å
151	A	97.3	Very high	96.7	Very high	15 Å²	15	46.2 Å²	46.2	12%	0.124	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-33.9	-177.7	0	0	0	0	0	113.8	F147 F148 F203 F278 M303	F147-A151 PolarHBondContact O-N 2.92Å; F147-A151 VanDerWaalsContact O-N 3.12Å; F148-A151 PolarHBondContact O-N 3.34Å; A151-F203 HydrophobicContact CB-CD1 4.22Å; A151-F203 HydrophobicContact CB-CE1 4.15Å; A151-F278 HydrophobicContact CB-CB 3.79Å; A151-F278 HydrophobicContact CB-CD2 3.66Å; A151-F278 HydrophobicContact CB-CG 4.09Å; A151-M303 HydrophobicContact CB-CE 4.4Å
152	L	97.5	Very high	96.6	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.068	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	-174	-63.5	165.1	0	0	0	113.8	F148 F203 M303 A438 I442	F148-L152 HydrophobicContact CB-CD1 4.23Å; F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.39Å; F148-L152 WeakPolarHBondContact O-CD1 3.45Å; F148-L152 WeakPolarHBondContact O-CG 3.4Å; F148-L152 PolarHBondContact O-N 2.84Å; L152-F203 HydrophobicContact CD2-CE1 4.01Å; L152-F203 HydrophobicContact CD2-CE2 4.27Å; L152-F203 HydrophobicContact CD2-CZ 3.49Å; L152-F203 VanDerWaalsContact CD2-CZ 3.49Å; L152-M303 HydrophobicContact CD1-CE 4.15Å; L152-M303 HydrophobicContact CD1-SD 4.41Å; L152-M303 HydrophobicContact CD2-CE 4.23Å; L152-M303 HydrophobicContact CD2-SD 3.91Å; L152-M303 HydrophobicContact CG-CE 4.08Å; L152-M303 HydrophobicContact CG-SD 4.38Å; L152-A438 HydrophobicContact CD1-CB 3.67Å; L152-I442 HydrophobicContact CB-CG2 4.28Å; L152-I442 HydrophobicContact CD2-CD1 4.27Å; L152-I442 HydrophobicContact CD2-CG2 3.8Å
153	T	94.7	Very high	96.6	Very high	45 Å²	45	47.6 Å²	47.6	28%	0.276	26%	0.259	S	S	.	.	S	Bend	trans	-133.7	178.2	-179.4	64.3	0	0	0	0	111.5	M149 G156	M149-T153 WeakPolarHBondContact O-CB 3.47Å; M149-T153 WeakPolarHBondContact O-CG2 3.39Å; M149-T153 PolarHBondContact O-N 2.67Å; M149-T153 PolarHBondContact O-OG1 2.84Å; T153-G156 PolarHBondContact O-N 3.5Å
154	G	94.3	Very high	96.6	Very high	46 Å²	46	44.2 Å²	44.2	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-132.6	175.6	0	0	0	0	0	112.8	G156 L157 V158	G154-G156 VanDerWaalsContact C-N 3.28Å; G154-G156 PolarHBondContact O-N 3.33Å; G154-L157 PolarHBondContact O-N 3.26Å; G154-V158 PolarHBondContact O-N 2.91Å
155	P	93.3	Very high	96.6	Very high	94 Å²	94	44.9 Å²	44.9	61%	0.61	24%	0.241	S	C	*	.	H	α-helix	trans	-59.4	-33.5	-177.5	-24.6	34.2	0	0	0	114.5	L157 V158 R159	P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.19Å; P155-V158 PolarHBondContact O-N 2.87Å; P155-R159 WeakPolarHBondContact O-CG 3.5Å; P155-R159 PolarHBondContact O-N 3.38Å
156	G	92.8	Very high	96.5	Very high	7 Å²	7	48 Å²	48	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-40.5	178.4	0	0	0	0	0	112	T153 G154 R159 M160 L202	T153-G156 PolarHBondContact O-N 3.5Å; G154-G156 VanDerWaalsContact C-N 3.28Å; G154-G156 PolarHBondContact O-N 3.33Å; G156-R159 PolarHBondContact O-N 3.14Å; G156-M160 WeakPolarHBondContact O-CB 3.41Å; G156-M160 PolarHBondContact O-N 3.29Å; G156-L202 WeakPolarHBondContact O-CD2 3.29Å
157	L	95	Very high	96.5	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-39.6	176.3	-179	152.3	0	0	0	112.1	G154 P155 M160 I347 I442 V445	G154-L157 PolarHBondContact O-N 3.26Å; P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.19Å; L157-M160 WeakPolarHBondContact O-CB 3.25Å; L157-M160 PolarHBondContact O-N 3.31Å; L157-I347 HydrophobicContact CD2-CD1 3.91Å; L157-I442 HydrophobicContact CD1-CB 4.37Å; L157-V445 HydrophobicContact CD1-CG2 4.35Å; L157-V445 HydrophobicContact CD2-CG2 3.95Å; L157-V445 HydrophobicContact CG-CG2 4.12Å
158	V	95.8	Very high	96.5	Very high	73 Å²	73	43 Å²	43	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-46.8	176.8	-179.4	0	0	0	0	110.7	G154 P155 M160 V161 I347	G154-V158 PolarHBondContact O-N 2.91Å; P155-V158 PolarHBondContact O-N 2.87Å; V158-M160 PolarHBondContact O-N 3.32Å; V158-V161 PolarHBondContact O-N 3.46Å; V158-I347 HydrophobicContact CG1-CB 4.28Å; V158-I347 HydrophobicContact CG1-CG1 4.34Å; V158-I347 HydrophobicContact CG1-CG2 4.15Å; V158-I347 HydrophobicContact CG2-CG1 4.3Å
159	R	95.4	Very high	96.5	Very high	129 Å²	129	44.4 Å²	44.4	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-33.6	176.5	-71.7	-163.5	-58.3	-99	7.4	112.5	P155 G156 V161 K162 V163 L202	P155-R159 WeakPolarHBondContact O-CG 3.5Å; P155-R159 PolarHBondContact O-N 3.38Å; G156-R159 PolarHBondContact O-N 3.14Å; R159-V161 PolarHBondContact O-N 2.79Å; R159-K162 PolarHBondContact O-N 3.46Å; R159-K162 VanDerWaalsContact O-N 3.16Å; R159-V163 WeakPolarHBondContact O-CG2 3.44Å; R159-V163 PolarHBondContact O-N 3.3Å; R159-L202 HydrophobicContact CB-CD1 4.01Å
160	M	97.1	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-30	179.8	-175	52.9	91.6	0	0	113.2	G156 L157 V158 K162 V163 C164 A198 L202 F203 I442 M446	G156-M160 WeakPolarHBondContact O-CB 3.41Å; G156-M160 PolarHBondContact O-N 3.29Å; L157-M160 WeakPolarHBondContact O-CB 3.25Å; L157-M160 PolarHBondContact O-N 3.31Å; V158-M160 PolarHBondContact O-N 3.32Å; M160-K162 PolarHBondContact O-N 2.83Å; M160-V163 HydrophobicContact SD-CB 4.45Å; M160-V163 HydrophobicContact SD-CG1 4.41Å; M160-C164 HydrophobicContact CG-CB 4.48Å; M160-C164 WeakPolarHBondContact O-CB 3.17Å; M160-C164 PolarHBondContact O-N 3.14Å; M160-C164 HydrophobicContact SD-CB 4.03Å; M160-A198 HydrophobicContact SD-CB 4.29Å; M160-L202 HydrophobicContact CB-CD2 3.93Å; M160-L202 HydrophobicContact CE-CB 4.01Å; M160-L202 HydrophobicContact CE-CD2 3.27Å; M160-L202 HydrophobicContact CE-CG 4.28Å; M160-L202 HydrophobicContact CG-CD2 4.39Å; M160-L202 HydrophobicContact SD-CD2 4.12Å; M160-F203 HydrophobicContact CE-CE2 4.12Å; M160-F203 HydrophobicContact CE-CZ 4.18Å; M160-I442 HydrophobicContact CB-CD1 3.82Å; M160-I442 HydrophobicContact CB-CG1 3.93Å; M160-I442 HydrophobicContact CE-CD1 3.97Å; M160-I442 HydrophobicContact CG-CD1 3.83Å; M160-I442 HydrophobicContact CG-CG1 3.68Å; M160-M446 HydrophobicContact CE-CE 3.92Å; M160-M446 HydrophobicContact CE-CG 4.49Å; M160-M446 HydrophobicContact CE-SD 3.6Å; M160-M446 VanDerWaalsContact CE-SD 3.6Å; M160-M446 HydrophobicContact CG-CG 3.41Å; M160-M446 VanDerWaalsContact CG-CG 3.41Å; M160-M446 HydrophobicContact CG-SD 3.78Å; M160-M446 HydrophobicContact SD-CE 3.87Å; M160-M446 HydrophobicContact SD-CG 3.9Å; M160-M446 HydrophobicContact SD-SD 3.75Å
161	V	96.9	Very high	96.5	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-54	175.8	176	0	0	0	0	110.4	V158 R159 E165 I345 I347 I350 V445 V449	V158-V161 PolarHBondContact O-N 3.46Å; R159-V161 PolarHBondContact O-N 2.79Å; V161-E165 VanDerWaalsContact O-CB 3.29Å; V161-E165 WeakPolarHBondContact O-CB 3.32Å; V161-E165 PolarHBondContact O-N 3.29Å; V161-I345 HydrophobicContact CG1-CG2 4.36Å; V161-I347 HydrophobicContact CG2-CB 4.21Å; V161-I347 HydrophobicContact CG2-CD1 3.71Å; V161-I350 HydrophobicContact CG2-CG1 4.36Å; V161-V445 HydrophobicContact CG2-CG1 3.47Å; V161-V445 VanDerWaalsContact CG2-CG1 3.47Å; V161-V449 HydrophobicContact CB-CG2 4.41Å; V161-V449 HydrophobicContact CG1-CG2 3.98Å; V161-V449 HydrophobicContact CG2-CG2 4.48Å
162	K	96.6	Very high	96.5	Very high	130 Å²	130	40.4 Å²	40.4	57%	0.565	21%	0.214	S	C	*	.	H	α-helix	trans	-67.7	-46.7	-178.7	-177.4	173.7	174.3	178.3	0	111.8	R159 M160 C164 E165 E166	R159-K162 PolarHBondContact O-N 3.46Å; R159-K162 VanDerWaalsContact O-N 3.16Å; M160-K162 PolarHBondContact O-N 2.83Å; K162-C164 VanDerWaalsContact C-N 3.32Å; K162-C164 PolarHBondContact O-N 2.92Å; K162-E165 PolarHBondContact O-N 2.69Å; K162-E166 WeakPolarHBondContact CE-OE1 3.38Å; K162-E166 HydrophobicContact CG-CG 4.37Å; K162-E166 IonicContact NZ-OE1 2.72Å; K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 WeakPolarHBondContact O-CG 3.35Å; K162-E166 PolarHBondContact O-N 3.11Å
163	V	97.2	Very high	96.4	Very high	22 Å²	22	45 Å²	45	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-45.3	179.3	171.4	0	0	0	0	111.2	R159 M160 S167 A198 M201	R159-V163 WeakPolarHBondContact O-CG2 3.44Å; R159-V163 PolarHBondContact O-N 3.3Å; M160-V163 HydrophobicContact SD-CB 4.45Å; M160-V163 HydrophobicContact SD-CG1 4.41Å; V163-S167 WeakPolarHBondContact O-CB 3.42Å; V163-S167 PolarHBondContact O-N 2.9Å; V163-A198 HydrophobicContact CG1-CB 4.35Å; V163-M201 HydrophobicContact CG1-CB 3.64Å; V163-M201 HydrophobicContact CG1-CE 3.75Å; V163-M201 HydrophobicContact CG1-SD 4.28Å
164	C	97.7	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-37.7	179.6	-170.9	0	0	0	0	111.7	M160 K162 I168 M446 V449	M160-C164 HydrophobicContact CG-CB 4.48Å; M160-C164 WeakPolarHBondContact O-CB 3.17Å; M160-C164 PolarHBondContact O-N 3.14Å; M160-C164 HydrophobicContact SD-CB 4.03Å; K162-C164 VanDerWaalsContact C-N 3.32Å; K162-C164 PolarHBondContact O-N 2.92Å; C164-I168 VanDerWaalsContact O-CG2 3.3Å; C164-I168 WeakPolarHBondContact O-CG2 3.24Å; C164-I168 PolarHBondContact O-N 3.04Å; C164-M446 HydrophobicContact CB-CG 4.44Å; C164-V449 HydrophobicContact CB-CG1 4.02Å
165	E	97.4	Very high	96.5	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-45.6	175.8	-172.5	-172.4	-163.8	0	0	112.5	V161 K162 I168 K169 D344 I345 V449	V161-E165 VanDerWaalsContact O-CB 3.29Å; V161-E165 WeakPolarHBondContact O-CB 3.32Å; V161-E165 PolarHBondContact O-N 3.29Å; K162-E165 PolarHBondContact O-N 2.69Å; E165-I168 WeakPolarHBondContact O-CG2 3.36Å; E165-K169 VanDerWaalsContact CD-NZ 3.3Å; E165-K169 HydrophobicContact CG-CD 4.12Å; E165-K169 WeakPolarHBondContact O-CB 3.01Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.22Å; E165-K169 WeakPolarHBondContact OE1-CE 3.37Å; E165-K169 IonicContact OE1-NZ 2.68Å; E165-K169 PolarHBondContact OE1-NZ 3.08Å; E165-K169 IonicContact OE2-NZ 2.6Å; E165-D344 WeakPolarHBondContact OE1-CA 3.48Å; E165-D344 WeakPolarHBondContact OE1-CB 3.32Å; E165-D344 VanDerWaalsContact OE1-CG 3.26Å; E165-I345 HydrophobicContact CB-CG2 4.32Å; E165-I345 HydrophobicContact CG-CG2 4.09Å; E165-I345 PolarHBondContact OE1-N 2.83Å; E165-V449 HydrophobicContact CB-CG1 3.89Å
166	E	97.8	Very high	96.5	Very high	91 Å²	91	47.5 Å²	47.5	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-46.6	176.9	-73.4	174.3	165.5	0	0	110.7	K162 I168 K169 Q170	K162-E166 WeakPolarHBondContact CE-OE1 3.38Å; K162-E166 HydrophobicContact CG-CG 4.37Å; K162-E166 IonicContact NZ-OE1 2.72Å; K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 WeakPolarHBondContact O-CG 3.35Å; K162-E166 PolarHBondContact O-N 3.11Å; E166-I168 PolarHBondContact O-N 2.92Å; E166-K169 PolarHBondContact O-N 3.36Å; E166-Q170 WeakPolarHBondContact O-CB 3.35Å; E166-Q170 PolarHBondContact O-N 3.14Å
167	S	98.2	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-53.2	176.7	-174.7	0	0	0	0	111.6	V163 K169 Q170 H171 I194 D197	V163-S167 WeakPolarHBondContact O-CB 3.42Å; V163-S167 PolarHBondContact O-N 2.9Å; S167-K169 VanDerWaalsContact C-N 3.35Å; S167-K169 PolarHBondContact O-N 3.27Å; S167-Q170 PolarHBondContact O-N 3.48Å; S167-H171 PolarHBondContact O-N 2.56Å; S167-H171 VanDerWaalsContact O-N 3.1Å; S167-H171 PolarHBondContact O-ND1 2.57Å; S167-I194 PolarHBondContact OG-O 3.36Å; S167-D197 WeakPolarHBondContact CB-OD2 3.27Å; S167-D197 PolarHBondContact OG-OD2 2.9Å
168	I	98.3	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-39.4	-179.5	-173.9	169.2	0	0	0	112.3	C164 E165 E166 H171 L172 I194 I450 T453 L454	C164-I168 VanDerWaalsContact O-CG2 3.3Å; C164-I168 WeakPolarHBondContact O-CG2 3.24Å; C164-I168 PolarHBondContact O-N 3.04Å; E165-I168 WeakPolarHBondContact O-CG2 3.36Å; E166-I168 PolarHBondContact O-N 2.92Å; I168-H171 PolarHBondContact O-N 2.84Å; I168-L172 HydrophobicContact CD1-CD1 4.24Å; I168-L172 HydrophobicContact CG1-CD1 3.78Å; I168-L172 HydrophobicContact CG1-CG 3.93Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 VanDerWaalsContact O-CG 3.26Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.19Å; I168-I194 HydrophobicContact CB-CD1 4.32Å; I168-I194 HydrophobicContact CB-CG2 4.18Å; I168-I194 HydrophobicContact CG1-CD1 3.96Å; I168-I450 HydrophobicContact CD1-CB 4.04Å; I168-I450 HydrophobicContact CD1-CG1 4.22Å; I168-I450 HydrophobicContact CD1-CG2 3.71Å; I168-I450 WeakPolarHBondContact CD1-O 3.49Å; I168-T453 HydrophobicContact CG2-CG2 3.63Å; I168-L454 HydrophobicContact CD1-CB 4.13Å
169	K	97.8	Very high	96.3	Very high	36 Å²	36	51.4 Å²	51.4	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-50.2	177.2	-77.6	171.9	170.8	167.4	0	111	E165 E166 S167 H171 L172 D173 D344 T453	E165-K169 VanDerWaalsContact CD-NZ 3.3Å; E165-K169 HydrophobicContact CG-CD 4.12Å; E165-K169 WeakPolarHBondContact O-CB 3.01Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.22Å; E165-K169 WeakPolarHBondContact OE1-CE 3.37Å; E165-K169 IonicContact OE1-NZ 2.68Å; E165-K169 PolarHBondContact OE1-NZ 3.08Å; E165-K169 IonicContact OE2-NZ 2.6Å; E166-K169 PolarHBondContact O-N 3.36Å; S167-K169 VanDerWaalsContact C-N 3.35Å; S167-K169 PolarHBondContact O-N 3.27Å; K169-H171 PolarHBondContact O-N 3.35Å; K169-L172 PolarHBondContact O-N 3.31Å; K169-D173 PolarHBondContact O-N 3Å; K169-D344 IonicContact NZ-OD1 3.96Å; K169-D344 PolarHBondContact NZ-OD1 2.96Å; K169-D344 IonicContact NZ-OD2 3.45Å; K169-D344 PolarHBondContact NZ-OD2 3.44Å; K169-T453 HydrophobicContact CG-CG2 3.94Å
170	Q	97.6	Very high	96.1	Very high	98 Å²	98	48.9 Å²	48.9	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-34.7	-180	-171.7	-174.2	-15.9	0	0	112.6	E166 S167 R174	E166-Q170 WeakPolarHBondContact O-CB 3.35Å; E166-Q170 PolarHBondContact O-N 3.14Å; S167-Q170 PolarHBondContact O-N 3.48Å; Q170-R174 PolarHBondContact O-NE 3.39Å
171	H	98	Very high	95.7	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-78	-37.5	177.4	-73.7	84	0	0	0	112.8	S167 I168 K169 D173 R174 L175 L190 I194 D197 E210	S167-H171 PolarHBondContact O-N 2.56Å; S167-H171 VanDerWaalsContact O-N 3.1Å; S167-H171 PolarHBondContact O-ND1 2.57Å; I168-H171 PolarHBondContact O-N 2.84Å; K169-H171 PolarHBondContact O-N 3.35Å; H171-D173 VanDerWaalsContact C-N 3.27Å; H171-D173 PolarHBondContact O-N 3.32Å; H171-R174 CarbonylContact O-C 3.53Å; H171-R174 VanDerWaalsContact O-C 3.31Å; H171-R174 PolarHBondContact O-N 3.43Å; H171-R174 VanDerWaalsContact O-N 3.14Å; H171-L175 PolarHBondContact O-N 3.09Å; H171-L190 HydrophobicContact CB-CD1 3.84Å; H171-I194 HydrophobicContact CB-CD1 4Å; H171-I194 HydrophobicContact CB-CG1 3.62Å; H171-D197 IonicContact CE1-OD2 3.53Å; H171-E210 IonicContact CE1-OE2 3.99Å; H171-E210 IonicContact NE2-OE2 2.68Å; H171-E210 PolarHBondContact NE2-OE2 3.39Å
172	L	96.9	Very high	95.2	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-67.8	-28.6	173.9	-70.4	178.6	0	0	0	112.3	I168 K169 R174 L175 L190 F458 F492	I168-L172 HydrophobicContact CD1-CD1 4.24Å; I168-L172 HydrophobicContact CG1-CD1 3.78Å; I168-L172 HydrophobicContact CG1-CG 3.93Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 VanDerWaalsContact O-CG 3.26Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.19Å; K169-L172 PolarHBondContact O-N 3.31Å; L172-R174 PolarHBondContact O-N 2.86Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; L172-L175 WeakPolarHBondContact O-CB 3.29Å; L172-L190 HydrophobicContact CD2-CD2 4.43Å; L172-F458 HydrophobicContact CB-CE2 4.35Å; L172-F458 HydrophobicContact CD1-CD2 4.5Å; L172-F458 HydrophobicContact CD1-CE2 4.23Å; L172-F458 HydrophobicContact CD2-CD2 4.39Å; L172-F458 HydrophobicContact CD2-CE2 4.03Å; L172-F458 HydrophobicContact CG-CE2 4.44Å; L172-F492 HydrophobicContact CD2-CE2 4.35Å
173	D	96.7	Very high	94.9	Very high	109 Å²	109	56.3 Å²	56.3	58%	0.583	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.3	174.3	-62.7	-14.9	0	0	0	112.1	K169 H171 R457	K169-D173 PolarHBondContact O-N 3Å; H171-D173 VanDerWaalsContact C-N 3.27Å; H171-D173 PolarHBondContact O-N 3.32Å; D173-R457 IonicContact OD1-CZ 2.64Å; D173-R457 IonicContact OD1-NH1 2.65Å; D173-R457 PolarHBondContact OD1-NH1 3.13Å; D173-R457 IonicContact OD1-NH2 3.26Å
174	R	95.4	Very high	94.6	Very high	74 Å²	74	57.9 Å²	57.9	28%	0.279	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	31.2	176.2	-63.4	179	-68.4	156.7	-0.5	112	Q170 H171 L172 D176 E177	Q170-R174 PolarHBondContact O-NE 3.39Å; H171-R174 CarbonylContact O-C 3.53Å; H171-R174 VanDerWaalsContact O-C 3.31Å; H171-R174 PolarHBondContact O-N 3.43Å; H171-R174 VanDerWaalsContact O-N 3.14Å; L172-R174 PolarHBondContact O-N 2.86Å; R174-D176 PolarHBondContact O-N 3.4Å; R174-D176 VanDerWaalsContact O-N 3.08Å; R174-E177 HydrophobicContact CB-CG 4.29Å; R174-E177 WeakPolarHBondContact CD-OE1 3.32Å; R174-E177 IonicContact NH1-OE1 3.43Å; R174-E177 WeakPolarHBondContact O-CB 3.33Å; R174-E177 PolarHBondContact O-N 3.19Å
175	L	94.6	Very high	94.4	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.115	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26.3	-174.6	-164.3	65	0	0	0	112.8	H171 L172 E177 V178 T179 V185 L190 F458 F492	H171-L175 PolarHBondContact O-N 3.09Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; L172-L175 WeakPolarHBondContact O-CB 3.29Å; L175-E177 PolarHBondContact O-N 3.48Å; L175-V178 HydrophobicContact CD1-CG2 4.05Å; L175-V178 VanDerWaalsContact O-CG2 3.27Å; L175-V178 WeakPolarHBondContact O-CG2 3.25Å; L175-V178 PolarHBondContact O-N 3.36Å; L175-V178 VanDerWaalsContact O-N 3.11Å; L175-T179 WeakPolarHBondContact O-CB 3.39Å; L175-T179 PolarHBondContact O-N 3.34Å; L175-T179 VanDerWaalsContact O-N 3.14Å; L175-T179 PolarHBondContact O-OG1 3.13Å; L175-V185 HydrophobicContact CD1-CG1 3.87Å; L175-V185 HydrophobicContact CD1-CG2 4.38Å; L175-V185 HydrophobicContact CD2-CG2 4.33Å; L175-V185 HydrophobicContact CG-CG2 4.41Å; L175-L190 HydrophobicContact CD1-CD2 3.85Å; L175-F458 HydrophobicContact CD2-CZ 4.29Å; L175-F492 HydrophobicContact CD1-CD2 4.05Å; L175-F492 HydrophobicContact CD1-CE2 4.29Å; L175-F492 HydrophobicContact CD2-CB 4.29Å; L175-F492 HydrophobicContact CD2-CD2 3.98Å
176	D	93.1	Very high	94.3	Very high	142 Å²	142	60.8 Å²	60.8	76%	0.759	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-58.9	-27.1	176.9	-52.4	-31.7	0	0	0	112.9	R174 V178	R174-D176 PolarHBondContact O-N 3.4Å; R174-D176 VanDerWaalsContact O-N 3.08Å; D176-V178 PolarHBondContact O-N 3.25Å
177	E	92.8	Very high	94.2	Very high	132 Å²	132	56.6 Å²	56.6	62%	0.617	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.4	178.2	-65.2	179.6	-175	0	0	113.1	R174 L175	R174-E177 HydrophobicContact CB-CG 4.29Å; R174-E177 WeakPolarHBondContact CD-OE1 3.32Å; R174-E177 IonicContact NH1-OE1 3.43Å; R174-E177 WeakPolarHBondContact O-CB 3.33Å; R174-E177 PolarHBondContact O-N 3.19Å; L175-E177 PolarHBondContact O-N 3.48Å
178	V	93.1	Very high	94	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.115	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-123.3	10.1	-176.3	-64.9	0	0	0	0	112.4	L175 D176 V185 D186 T189 L190	L175-V178 HydrophobicContact CD1-CG2 4.05Å; L175-V178 VanDerWaalsContact O-CG2 3.27Å; L175-V178 WeakPolarHBondContact O-CG2 3.25Å; L175-V178 PolarHBondContact O-N 3.36Å; L175-V178 VanDerWaalsContact O-N 3.11Å; D176-V178 PolarHBondContact O-N 3.25Å; V178-V185 HydrophobicContact CG2-CG1 4.15Å; V178-D186 PolarHBondContact O-N 3.45Å; V178-T189 HydrophobicContact CG1-CG2 4.24Å; V178-L190 HydrophobicContact CG2-CB 4.18Å; V178-L190 HydrophobicContact CG2-CD1 4.19Å
179	T	93.8	Very high	93.9	Very high	41 Å²	41	58.2 Å²	58.2	25%	0.252	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-109.8	130.9	179.8	-56.5	0	0	0	0	109.9	L175 Y184 V185	L175-T179 WeakPolarHBondContact O-CB 3.39Å; L175-T179 PolarHBondContact O-N 3.34Å; L175-T179 VanDerWaalsContact O-N 3.14Å; L175-T179 PolarHBondContact O-OG1 3.13Å; T179-Y184 CarbonylContact C-O 3.58Å; T179-Y184 VanDerWaalsContact CA-O 3.32Å; T179-Y184 WeakPolarHBondContact CA-O 3.39Å; T179-V185 HydrophobicContact CG2-CG2 4.48Å
180	D	90.8	Very high	93.8	Very high	75 Å²	75	56.6 Å²	56.6	40%	0.401	30%	0.303	S	S	.	.			trans	-82.3	173.8	176.9	80.9	3.9	0	0	0	113	S182 G183 Y184	D180-S182 PolarHBondContact O-N 3.37Å; D180-S182 VanDerWaalsContact OD1-CA 3.32Å; D180-S182 WeakPolarHBondContact OD1-CA 3.45Å; D180-S182 WeakPolarHBondContact OD1-CB 3.25Å; D180-S182 PolarHBondContact OD1-N 2.95Å; D180-G183 PolarHBondContact O-N 3.19Å; D180-G183 PolarHBondContact OD1-N 3.16Å; D180-G183 VanDerWaalsContact OD1-N 3.12Å; D180-Y184 PolarHBondContact N-O 3.43Å; D180-Y184 WeakPolarHBondContact OD1-CB 3.28Å; D180-Y184 PolarHBondContact OD1-N 3.02Å; D180-Y184 VanDerWaalsContact OD2-CD2 3.3Å; D180-Y184 WeakPolarHBondContact OD2-CD2 3.47Å
181	N	89.6	Confident	93.9	Very high	179 Å²	179	52 Å²	52	96%	0.957	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.1	-179.8	-65.5	-27	0	0	0	114.1
182	S	86.6	Confident	93.9	Very high	84 Å²	84	52.3 Å²	52.3	59%	0.587	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.9	176.9	-52.3	0	0	0	0	112.4	D180 Y184	D180-S182 PolarHBondContact O-N 3.37Å; D180-S182 VanDerWaalsContact OD1-CA 3.32Å; D180-S182 WeakPolarHBondContact OD1-CA 3.45Å; D180-S182 WeakPolarHBondContact OD1-CB 3.25Å; D180-S182 PolarHBondContact OD1-N 2.95Å; S182-Y184 VanDerWaalsContact CB-CE2 3.48Å
183	G	89.5	Confident	94	Very high	28 Å²	28	52.7 Å²	52.7	29%	0.289	28%	0.284	S	S	.	.	S	Bend	trans	83.4	13.8	-177	0	0	0	0	0	114	D180	D180-G183 PolarHBondContact O-N 3.19Å; D180-G183 PolarHBondContact OD1-N 3.16Å; D180-G183 VanDerWaalsContact OD1-N 3.12Å
184	Y	91.6	Very high	94	Very high	55 Å²	55	47.5 Å²	47.5	22%	0.216	26%	0.256	C	S	.	.			trans	-83.2	127.6	176.4	-57.1	-51.7	0	0	0	111	T179 D180 S182 L463 E489 I491	T179-Y184 CarbonylContact C-O 3.58Å; T179-Y184 VanDerWaalsContact CA-O 3.32Å; T179-Y184 WeakPolarHBondContact CA-O 3.39Å; D180-Y184 PolarHBondContact N-O 3.43Å; D180-Y184 WeakPolarHBondContact OD1-CB 3.28Å; D180-Y184 PolarHBondContact OD1-N 3.02Å; D180-Y184 VanDerWaalsContact OD2-CD2 3.3Å; D180-Y184 WeakPolarHBondContact OD2-CD2 3.47Å; S182-Y184 VanDerWaalsContact CB-CE2 3.48Å; Y184-L463 HydrophobicContact CE1-CB 4.42Å; Y184-L463 HydrophobicContact CE1-CD1 3.43Å; Y184-L463 VanDerWaalsContact CE1-CD1 3.43Å; Y184-L463 HydrophobicContact CE1-CG 3.91Å; Y184-L463 WeakPolarHBondContact OH-CD1 3.41Å; Y184-E489 HydrophobicContact CD1-CB 3.38Å; Y184-E489 HydrophobicContact CD1-CG 4.1Å; Y184-E489 HydrophobicContact CD2-CB 4.23Å; Y184-E489 HydrophobicContact CD2-CG 4.05Å; Y184-E489 HydrophobicContact CE1-CB 3.57Å; Y184-E489 HydrophobicContact CE1-CG 4.12Å; Y184-E489 HydrophobicContact CE2-CB 4.45Å; Y184-E489 HydrophobicContact CE2-CG 4.14Å; Y184-E489 HydrophobicContact CG-CB 3.72Å; Y184-E489 HydrophobicContact CG-CG 4.04Å; Y184-I491 HydrophobicContact CD1-CD1 4.05Å; Y184-I491 HydrophobicContact CD1-CG1 3.76Å; Y184-I491 HydrophobicContact CE1-CD1 3.95Å; Y184-I491 HydrophobicContact CE1-CG1 4.13Å
185	V	94.1	Very high	94.2	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-90.9	126.9	178.8	-175.2	0	0	0	0	109.3	L175 V178 T179 V187 L190 I490 F492	L175-V185 HydrophobicContact CD1-CG1 3.87Å; L175-V185 HydrophobicContact CD1-CG2 4.38Å; L175-V185 HydrophobicContact CD2-CG2 4.33Å; L175-V185 HydrophobicContact CG-CG2 4.41Å; V178-V185 HydrophobicContact CG2-CG1 4.15Å; T179-V185 HydrophobicContact CG2-CG2 4.48Å; V185-V187 HydrophobicContact CB-CG2 4.21Å; V185-V187 HydrophobicContact CG1-CG2 4.06Å; V185-V187 PolarHBondContact O-N 3.48Å; V185-L190 HydrophobicContact CG1-CD2 4.06Å; V185-I490 PolarHBondContact N-O 2.91Å; V185-F492 HydrophobicContact CG1-CD2 4.41Å; V185-F492 HydrophobicContact CG1-CE2 4.13Å; V185-F492 HydrophobicContact CG2-CB 4.38Å; V185-F492 HydrophobicContact CG2-CD2 4.13Å; V185-F492 HydrophobicContact CG2-CG 4.15Å
186	D	94	Very high	94.4	Very high	64 Å²	64	43 Å²	43	34%	0.342	24%	0.237	S	C	.	.			trans	-73.7	82.6	165.1	-174.8	-9.2	0	0	0	109.8	V178 L188 T189 L190	V178-D186 PolarHBondContact O-N 3.45Å; D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 2.87Å; D186-L188 PolarHBondContact OD1-N 2.69Å; D186-T189 VanDerWaalsContact CG-CB 3.43Å; D186-T189 PolarHBondContact O-N 3.27Å; D186-T189 PolarHBondContact OD1-N 2.47Å; D186-T189 PolarHBondContact OD1-OG1 3.34Å; D186-T189 VanDerWaalsContact OD2-CB 3.25Å; D186-T189 WeakPolarHBondContact OD2-CB 3.38Å; D186-T189 PolarHBondContact OD2-OG1 2.84Å; D186-L190 WeakPolarHBondContact O-CB 3.14Å; D186-L190 PolarHBondContact O-N 2.74Å
187	V	95.1	Very high	94.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-33.8	-177.3	173.2	0	0	0	0	112.2	V185 M191 Y316 L319 I490 F492	V185-V187 HydrophobicContact CB-CG2 4.21Å; V185-V187 HydrophobicContact CG1-CG2 4.06Å; V185-V187 PolarHBondContact O-N 3.48Å; V187-M191 HydrophobicContact CG1-CE 4.47Å; V187-M191 HydrophobicContact CG1-CG 4.02Å; V187-M191 WeakPolarHBondContact O-CB 3.36Å; V187-M191 WeakPolarHBondContact O-CG 3.34Å; V187-M191 PolarHBondContact O-N 3.05Å; V187-Y316 HydrophobicContact CB-CD2 4.06Å; V187-Y316 HydrophobicContact CG1-CD2 3.95Å; V187-L319 HydrophobicContact CG1-CD1 3.53Å; V187-I490 HydrophobicContact CB-CD1 4.15Å; V187-I490 HydrophobicContact CG1-CD1 4.41Å; V187-I490 HydrophobicContact CG2-CB 3.84Å; V187-I490 HydrophobicContact CG2-CD1 3.79Å; V187-I490 HydrophobicContact CG2-CG1 4.35Å; V187-I490 HydrophobicContact CG2-CG2 3.95Å; V187-F492 HydrophobicContact CG2-CE1 4.08Å; V187-F492 HydrophobicContact CG2-CZ 3.81Å
188	L	94.9	Very high	94.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-46.1	179	-79.6	176.9	0	0	0	111	D186 M191 R192 V313 Y316 P481 E483 L487	D186-L188 VanDerWaalsContact C-N 3.28Å; D186-L188 PolarHBondContact O-N 2.87Å; D186-L188 PolarHBondContact OD1-N 2.69Å; L188-M191 PolarHBondContact O-N 3.23Å; L188-R192 WeakPolarHBondContact O-CB 3.37Å; L188-R192 WeakPolarHBondContact O-CD 3.18Å; L188-R192 WeakPolarHBondContact O-CG 3.42Å; L188-R192 PolarHBondContact O-N 2.99Å; L188-V313 HydrophobicContact CD2-CG2 4.3Å; L188-Y316 HydrophobicContact CD2-CD1 4.12Å; L188-Y316 HydrophobicContact CD2-CD2 4.2Å; L188-Y316 HydrophobicContact CD2-CG 3.7Å; L188-Y316 HydrophobicContact CG-CD1 4.41Å; L188-Y316 HydrophobicContact CG-CD2 3.96Å; L188-Y316 HydrophobicContact CG-CE2 4.43Å; L188-Y316 HydrophobicContact CG-CG 3.95Å; L188-P481 HydrophobicContact CD1-CG 3.66Å; L188-P481 HydrophobicContact CD2-CG 4.48Å; L188-E483 HydrophobicContact CD1-CG 3.98Å; L188-L487 HydrophobicContact CD1-CD1 3.64Å; L188-L487 HydrophobicContact CD1-CD2 4.06Å; L188-L487 HydrophobicContact CG-CD1 4.49Å
189	T	95.6	Very high	95.1	Very high	34 Å²	34	29.9 Å²	29.9	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.7	-64.2	0	0	0	0	111	V178 D186 M191 R192 H193	V178-T189 HydrophobicContact CG1-CG2 4.24Å; D186-T189 VanDerWaalsContact CG-CB 3.43Å; D186-T189 PolarHBondContact O-N 3.27Å; D186-T189 PolarHBondContact OD1-N 2.47Å; D186-T189 PolarHBondContact OD1-OG1 3.34Å; D186-T189 VanDerWaalsContact OD2-CB 3.25Å; D186-T189 WeakPolarHBondContact OD2-CB 3.38Å; D186-T189 PolarHBondContact OD2-OG1 2.84Å; T189-M191 PolarHBondContact O-N 3.38Å; T189-R192 PolarHBondContact O-N 2.86Å; T189-H193 VanDerWaalsContact CG2-CE1 3.46Å; T189-H193 WeakPolarHBondContact CG2-CE1 3.21Å; T189-H193 PolarHBondContact O-N 3.02Å
190	L	97.4	Very high	95.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-53.9	-52.1	175.3	177.3	59.7	0	0	0	112	H171 L172 L175 V178 V185 D186 R192 H193 I194 F492	H171-L190 HydrophobicContact CB-CD1 3.84Å; L172-L190 HydrophobicContact CD2-CD2 4.43Å; L175-L190 HydrophobicContact CD1-CD2 3.85Å; V178-L190 HydrophobicContact CG2-CB 4.18Å; V178-L190 HydrophobicContact CG2-CD1 4.19Å; V185-L190 HydrophobicContact CG1-CD2 4.06Å; D186-L190 WeakPolarHBondContact O-CB 3.14Å; D186-L190 PolarHBondContact O-N 2.74Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 2.89Å; L190-H193 PolarHBondContact O-N 3.27Å; L190-I194 HydrophobicContact CD1-CD1 3.85Å; L190-I194 HydrophobicContact CD1-CG1 4.39Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 3.48Å; L190-I194 VanDerWaalsContact O-N 3.09Å; L190-F492 HydrophobicContact CD2-CE2 3.88Å
191	M	98.1	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-34.4	-178.2	-66.3	-64.9	141.3	0	0	111.7	V187 L188 T189 I194 M195 L315 L319 I450 L454	V187-M191 HydrophobicContact CG1-CE 4.47Å; V187-M191 HydrophobicContact CG1-CG 4.02Å; V187-M191 WeakPolarHBondContact O-CB 3.36Å; V187-M191 WeakPolarHBondContact O-CG 3.34Å; V187-M191 PolarHBondContact O-N 3.05Å; L188-M191 PolarHBondContact O-N 3.23Å; T189-M191 PolarHBondContact O-N 3.38Å; M191-I194 HydrophobicContact CE-CD1 4.36Å; M191-I194 HydrophobicContact SD-CD1 4.39Å; M191-M195 WeakPolarHBondContact O-CB 3.34Å; M191-M195 WeakPolarHBondContact O-CE 3.49Å; M191-M195 WeakPolarHBondContact O-CG 3.48Å; M191-M195 PolarHBondContact O-N 3.1Å; M191-L315 HydrophobicContact CG-CB 4.28Å; M191-L315 HydrophobicContact SD-CB 4.13Å; M191-L315 HydrophobicContact SD-CD1 4.04Å; M191-L319 HydrophobicContact CE-CD1 4Å; M191-I450 HydrophobicContact CE-CG2 4.46Å; M191-I450 HydrophobicContact SD-CG2 3.99Å; M191-L454 HydrophobicContact CE-CD1 3.71Å
192	R	98.3	Very high	96	Very high	16 Å²	16	20.4 Å²	20.4	6%	0.06	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-42.2	175.7	-75.6	168.4	176.4	147.5	-5.7	112.4	L188 T189 L190 M195 L196 V214 Q218 S312 E483	L188-R192 WeakPolarHBondContact O-CB 3.37Å; L188-R192 WeakPolarHBondContact O-CD 3.18Å; L188-R192 WeakPolarHBondContact O-CG 3.42Å; L188-R192 PolarHBondContact O-N 2.99Å; T189-R192 PolarHBondContact O-N 2.86Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 2.89Å; R192-M195 PolarHBondContact O-N 3.39Å; R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 PolarHBondContact O-N 2.73Å; R192-V214 HydrophobicContact CB-CG1 3.69Å; R192-V214 HydrophobicContact CB-CG2 4.06Å; R192-V214 HydrophobicContact CG-CG1 4.34Å; R192-Q218 VanDerWaalsContact CZ-NE2 3.3Å; R192-S312 WeakPolarHBondContact CG-OG 3.43Å; R192-E483 IonicContact CZ-OE1 3.61Å; R192-E483 IonicContact CZ-OE2 2.9Å; R192-E483 IonicContact NH1-OE1 2.74Å; R192-E483 IonicContact NH1-OE2 2.74Å; R192-E483 PolarHBondContact NH1-OE2 3.39Å; R192-E483 IonicContact NH2-OE1 3.6Å; R192-E483 PolarHBondContact NH2-OE1 2.99Å; R192-E483 IonicContact NH2-OE2 3.52Å; R192-E483 PolarHBondContact NH2-OE2 2.59Å
193	H	98.3	Very high	96.6	Very high	16 Å²	16	16.9 Å²	16.9	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-51.7	174.9	-67.5	158.3	0	0	0	111	T189 L190 M195 L196 D197	T189-H193 VanDerWaalsContact CG2-CE1 3.46Å; T189-H193 WeakPolarHBondContact CG2-CE1 3.21Å; T189-H193 PolarHBondContact O-N 3.02Å; L190-H193 PolarHBondContact O-N 3.27Å; H193-M195 VanDerWaalsContact C-N 3.28Å; H193-M195 PolarHBondContact O-N 3.09Å; H193-L196 PolarHBondContact O-N 3.14Å; H193-L196 VanDerWaalsContact O-N 3.12Å; H193-D197 WeakPolarHBondContact O-CB 3.25Å; H193-D197 PolarHBondContact O-N 2.98Å
194	I	98.5	Very high	96.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.1	-43.1	176.8	-63.1	162.2	0	0	0	111.3	S167 I168 H171 L190 M191 A198	S167-I194 PolarHBondContact OG-O 3.36Å; I168-I194 HydrophobicContact CB-CD1 4.32Å; I168-I194 HydrophobicContact CB-CG2 4.18Å; I168-I194 HydrophobicContact CG1-CD1 3.96Å; H171-I194 HydrophobicContact CB-CD1 4Å; H171-I194 HydrophobicContact CB-CG1 3.62Å; L190-I194 HydrophobicContact CD1-CD1 3.85Å; L190-I194 HydrophobicContact CD1-CG1 4.39Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 3.48Å; L190-I194 VanDerWaalsContact O-N 3.09Å; M191-I194 HydrophobicContact CE-CD1 4.36Å; M191-I194 HydrophobicContact SD-CD1 4.39Å; I194-A198 VanDerWaalsContact O-CB 3.29Å; I194-A198 WeakPolarHBondContact O-CB 3.49Å; I194-A198 PolarHBondContact O-N 3.12Å
195	M	98.6	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.2	-39.7	-179.2	-74.5	-31	97.9	0	0	112.2	M191 R192 H193 S199 A307 P308 M311 L315 M446 I450	M191-M195 WeakPolarHBondContact O-CB 3.34Å; M191-M195 WeakPolarHBondContact O-CE 3.49Å; M191-M195 WeakPolarHBondContact O-CG 3.48Å; M191-M195 PolarHBondContact O-N 3.1Å; R192-M195 PolarHBondContact O-N 3.39Å; H193-M195 VanDerWaalsContact C-N 3.28Å; H193-M195 PolarHBondContact O-N 3.09Å; M195-S199 VanDerWaalsContact O-CB 3.28Å; M195-S199 WeakPolarHBondContact O-CB 3.18Å; M195-S199 PolarHBondContact O-N 3.01Å; M195-S199 VanDerWaalsContact O-N 3.11Å; M195-S199 PolarHBondContact O-OG 3.01Å; M195-A307 HydrophobicContact CB-CB 3.95Å; M195-A307 HydrophobicContact CG-CB 4.21Å; M195-P308 HydrophobicContact CB-CB 4.45Å; M195-P308 HydrophobicContact CB-CG 4Å; M195-M311 HydrophobicContact CG-CB 4.09Å; M195-M311 HydrophobicContact SD-CB 3.92Å; M195-M311 HydrophobicContact SD-CE 3.36Å; M195-M311 WeakPolarHBondContact SD-CE 3.21Å; M195-L315 HydrophobicContact CE-CD1 3.95Å; M195-L315 HydrophobicContact SD-CD1 4.41Å; M195-M446 HydrophobicContact SD-CE 4.11Å; M195-I450 HydrophobicContact CE-CD1 3.22Å; M195-I450 HydrophobicContact CE-CG1 4.28Å; M195-I450 HydrophobicContact SD-CD1 3.93Å
196	L	98.7	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.4	-47.7	178.6	174.1	62.8	0	0	0	110.6	R192 H193 S199 N200 L208 E210 I213 V214 I217 P308	R192-L196 WeakPolarHBondContact O-CB 3.38Å; R192-L196 PolarHBondContact O-N 2.73Å; H193-L196 PolarHBondContact O-N 3.14Å; H193-L196 VanDerWaalsContact O-N 3.12Å; L196-S199 PolarHBondContact O-N 2.93Å; L196-N200 WeakPolarHBondContact O-CB 3.23Å; L196-N200 PolarHBondContact O-N 3.21Å; L196-L208 HydrophobicContact CD2-CD1 3.91Å; L196-L208 HydrophobicContact CG-CD1 4.29Å; L196-E210 HydrophobicContact CD2-CB 4.33Å; L196-I213 HydrophobicContact CD1-CG2 3.83Å; L196-I213 HydrophobicContact CD2-CB 3.66Å; L196-I213 HydrophobicContact CD2-CG2 3.46Å; L196-I213 VanDerWaalsContact CD2-CG2 3.46Å; L196-I213 HydrophobicContact CG-CG2 4.3Å; L196-V214 HydrophobicContact CB-CG2 4.2Å; L196-V214 HydrophobicContact CD2-CG2 3.73Å; L196-I217 HydrophobicContact CD1-CD1 3.96Å; L196-P308 HydrophobicContact CB-CG 4.03Å
197	D	98.6	Very high	97.3	Very high	15 Å²	15	15.6 Å²	15.6	8%	0.08	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-50.8	-179.9	176.6	40.6	0	0	0	111.2	S167 H171 H193 S199 N200 M201	S167-D197 WeakPolarHBondContact CB-OD2 3.27Å; S167-D197 PolarHBondContact OG-OD2 2.9Å; H171-D197 IonicContact CE1-OD2 3.53Å; H193-D197 WeakPolarHBondContact O-CB 3.25Å; H193-D197 PolarHBondContact O-N 2.98Å; D197-S199 VanDerWaalsContact C-N 3.3Å; D197-S199 PolarHBondContact O-N 3.09Å; D197-N200 PolarHBondContact O-N 3.39Å; D197-M201 WeakPolarHBondContact O-CB 3.44Å; D197-M201 WeakPolarHBondContact O-CG 3.43Å; D197-M201 PolarHBondContact O-N 3.1Å; D197-M201 VanDerWaalsContact OD2-CE 3.27Å; D197-M201 WeakPolarHBondContact OD2-CE 3.49Å
198	A	98.1	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-38.2	175.5	0	0	0	0	0	113	M160 V163 I194 L202 M446	M160-A198 HydrophobicContact SD-CB 4.29Å; V163-A198 HydrophobicContact CG1-CB 4.35Å; I194-A198 VanDerWaalsContact O-CB 3.29Å; I194-A198 WeakPolarHBondContact O-CB 3.49Å; I194-A198 PolarHBondContact O-N 3.12Å; A198-L202 PolarHBondContact O-N 3.29Å; A198-M446 HydrophobicContact CB-CE 3.99Å
199	S	98.2	Very high	97.5	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-68.2	-43.6	176.6	-60.2	0	0	0	0	111.6	M195 L196 D197 L202 F203	M195-S199 VanDerWaalsContact O-CB 3.28Å; M195-S199 WeakPolarHBondContact O-CB 3.18Å; M195-S199 PolarHBondContact O-N 3.01Å; M195-S199 VanDerWaalsContact O-N 3.11Å; M195-S199 PolarHBondContact O-OG 3.01Å; L196-S199 PolarHBondContact O-N 2.93Å; D197-S199 VanDerWaalsContact C-N 3.3Å; D197-S199 PolarHBondContact O-N 3.09Å; S199-L202 PolarHBondContact O-N 3.35Å; S199-F203 WeakPolarHBondContact O-CB 3.33Å; S199-F203 WeakPolarHBondContact O-CD2 3.38Å; S199-F203 PolarHBondContact O-N 2.97Å
200	N	98.4	Very high	97.5	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-52.2	178	178.8	39	0	0	0	110.9	L196 D197 L202 F203 L204 G205 I206 L208 L304	L196-N200 WeakPolarHBondContact O-CB 3.23Å; L196-N200 PolarHBondContact O-N 3.21Å; D197-N200 PolarHBondContact O-N 3.39Å; N200-L202 PolarHBondContact O-N 3.43Å; N200-F203 PolarHBondContact O-N 3.2Å; N200-L204 PolarHBondContact O-N 3.47Å; N200-G205 PolarHBondContact O-N 2.73Å; N200-I206 PolarHBondContact ND2-O 3.41Å; N200-I206 PolarHBondContact OD1-O 3.35Å; N200-L208 HydrophobicContact CB-CD2 3.84Å; N200-L208 VanDerWaalsContact CG-CD2 3.44Å; N200-L304 HydrophobicContact CB-CD2 4.37Å
201	M	96.9	Very high	97.4	Very high	74 Å²	74	24.8 Å²	24.8	37%	0.365	14%	0.143	S	C	.	.	H	α-helix	trans	-55.9	-37.3	-179.7	-76.5	-164.5	-79.7	0	0	113	V163 D197	V163-M201 HydrophobicContact CG1-CB 3.64Å; V163-M201 HydrophobicContact CG1-CE 3.75Å; V163-M201 HydrophobicContact CG1-SD 4.28Å; D197-M201 WeakPolarHBondContact O-CB 3.44Å; D197-M201 WeakPolarHBondContact O-CG 3.43Å; D197-M201 PolarHBondContact O-N 3.1Å; D197-M201 VanDerWaalsContact OD2-CE 3.27Å; D197-M201 WeakPolarHBondContact OD2-CE 3.49Å
202	L	96.8	Very high	97.3	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-86	-34.2	-177.8	-168.5	63.2	0	0	0	114.1	G156 R159 M160 A198 S199 N200 I442	G156-L202 WeakPolarHBondContact O-CD2 3.29Å; R159-L202 HydrophobicContact CB-CD1 4.01Å; M160-L202 HydrophobicContact CB-CD2 3.93Å; M160-L202 HydrophobicContact CE-CB 4.01Å; M160-L202 HydrophobicContact CE-CD2 3.27Å; M160-L202 HydrophobicContact CE-CG 4.28Å; M160-L202 HydrophobicContact CG-CD2 4.39Å; M160-L202 HydrophobicContact SD-CD2 4.12Å; A198-L202 PolarHBondContact O-N 3.29Å; S199-L202 PolarHBondContact O-N 3.35Å; N200-L202 PolarHBondContact O-N 3.43Å; L202-I442 HydrophobicContact CD2-CD1 4Å
203	F	98	Very high	97.3	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-113.1	-18.9	-165.9	-55.7	-55.3	0	0	0	115.2	A151 L152 M160 S199 N200 F278 A279 M303 I442	A151-F203 HydrophobicContact CB-CD1 4.22Å; A151-F203 HydrophobicContact CB-CE1 4.15Å; L152-F203 HydrophobicContact CD2-CE1 4.01Å; L152-F203 HydrophobicContact CD2-CE2 4.27Å; L152-F203 HydrophobicContact CD2-CZ 3.49Å; L152-F203 VanDerWaalsContact CD2-CZ 3.49Å; M160-F203 HydrophobicContact CE-CE2 4.12Å; M160-F203 HydrophobicContact CE-CZ 4.18Å; S199-F203 WeakPolarHBondContact O-CB 3.33Å; S199-F203 WeakPolarHBondContact O-CD2 3.38Å; S199-F203 PolarHBondContact O-N 2.97Å; N200-F203 PolarHBondContact O-N 3.2Å; F203-F278 HydrophobicContact CB-CB 3.97Å; F203-F278 HydrophobicContact CB-CD1 4.29Å; F203-F278 HydrophobicContact CD1-CB 3.95Å; F203-F278 HydrophobicContact CG-CB 4.38Å; F203-A279 WeakPolarHBondContact O-CB 3.45Å; F203-A279 PolarHBondContact O-N 2.76Å; F203-M303 HydrophobicContact CB-CG 3.84Å; F203-M303 HydrophobicContact CD1-CE 4.4Å; F203-M303 HydrophobicContact CD1-CG 4.32Å; F203-M303 HydrophobicContact CD1-SD 4.37Å; F203-M303 HydrophobicContact CD2-CG 3.47Å; F203-M303 VanDerWaalsContact CD2-CG 3.47Å; F203-M303 HydrophobicContact CD2-SD 3.86Å; F203-M303 HydrophobicContact CE1-CE 4.49Å; F203-M303 HydrophobicContact CE1-SD 4.35Å; F203-M303 HydrophobicContact CE2-CG 4.09Å; F203-M303 HydrophobicContact CE2-SD 3.85Å; F203-M303 HydrophobicContact CG-CG 3.61Å; F203-M303 HydrophobicContact CG-SD 4.14Å; F203-M303 HydrophobicContact CZ-SD 4.1Å; F203-I442 HydrophobicContact CZ-CD1 4.19Å
204	L	97.5	Very high	97.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-51	-176	177.1	61.9	0	0	0	112.6	N200 I206 L258 K262 A279 I300 L304	N200-L204 PolarHBondContact O-N 3.47Å; L204-I206 HydrophobicContact CD1-CG1 4.05Å; L204-I206 HydrophobicContact CD2-CB 4.38Å; L204-I206 HydrophobicContact CG-CB 4.11Å; L204-I206 HydrophobicContact CG-CG1 3.94Å; L204-L258 HydrophobicContact CD2-CB 4.07Å; L204-L258 HydrophobicContact CD2-CD1 4.28Å; L204-K262 HydrophobicContact CD1-CB 3.98Å; L204-K262 HydrophobicContact CD1-CD 4.41Å; L204-K262 HydrophobicContact CD1-CG 4.04Å; L204-K262 WeakPolarHBondContact O-CD 3.37Å; L204-K262 WeakPolarHBondContact O-CE 3.48Å; L204-K262 PolarHBondContact O-NZ 2.79Å; L204-A279 HydrophobicContact CD1-CB 3.78Å; L204-I300 HydrophobicContact CD1-CG2 4.33Å; L204-I300 HydrophobicContact CD2-CG2 4.49Å; L204-L304 HydrophobicContact CD2-CD1 3.89Å
205	G	95.4	Very high	97.2	Very high	25 Å²	25	32.3 Å²	32.3	26%	0.258	18%	0.182	S	C	.	.			trans	68.6	40.3	174.4	0	0	0	0	0	113.9	N200 K265	N200-G205 PolarHBondContact O-N 2.73Å; G205-K265 PolarHBondContact O-NZ 2.91Å; G205-K265 VanDerWaalsContact O-NZ 3.12Å
206	I	96.7	Very high	97.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	19%	0.192	C	C	.	.			trans	-121	134.2	176.8	-61.8	-62.4	0	0	0	109.2	N200 L204 L208 L258 E261 K262 K265	N200-I206 PolarHBondContact ND2-O 3.41Å; N200-I206 PolarHBondContact OD1-O 3.35Å; L204-I206 HydrophobicContact CD1-CG1 4.05Å; L204-I206 HydrophobicContact CD2-CB 4.38Å; L204-I206 HydrophobicContact CG-CB 4.11Å; L204-I206 HydrophobicContact CG-CG1 3.94Å; I206-L208 PolarHBondContact O-N 2.95Å; I206-L258 HydrophobicContact CG2-CD2 3.89Å; I206-E261 HydrophobicContact CD1-CG 4.32Å; I206-E261 HydrophobicContact CG2-CB 4.27Å; I206-E261 VanDerWaalsContact CG2-CD 3.49Å; I206-E261 HydrophobicContact CG2-CG 4.18Å; I206-E261 WeakPolarHBondContact CG2-OE2 3.47Å; I206-K262 HydrophobicContact CD1-CB 4.15Å; I206-K262 HydrophobicContact CD1-CD 4.06Å; I206-K262 HydrophobicContact CG1-CB 3.99Å; I206-K262 HydrophobicContact CG1-CD 4.18Å; I206-K265 HydrophobicContact CD1-CD 3.91Å
207	P	96.3	Very high	97.2	Very high	103 Å²	103	34.8 Å²	34.8	67%	0.669	19%	0.192	S	C	*	.			trans	-55.9	136.5	174.5	-23.6	34.6	0	0	0	111.4
208	L	96.6	Very high	97.2	Very high	37 Å²	37	36.3 Å²	36.3	19%	0.194	20%	0.199	C	C	.	.			trans	-144.2	159.1	179.7	60.4	77.1	0	0	0	111.3	L196 N200 I206 E210 I213 L258	L196-L208 HydrophobicContact CD2-CD1 3.91Å; L196-L208 HydrophobicContact CG-CD1 4.29Å; N200-L208 HydrophobicContact CB-CD2 3.84Å; N200-L208 VanDerWaalsContact CG-CD2 3.44Å; I206-L208 PolarHBondContact O-N 2.95Å; L208-E210 HydrophobicContact CD1-CB 4.29Å; L208-E210 HydrophobicContact CD1-CG 3.71Å; L208-E210 PolarHBondContact O-N 3.04Å; L208-I213 HydrophobicContact CB-CG1 4.44Å; L208-I213 HydrophobicContact CD1-CG1 4.29Å; L208-L258 HydrophobicContact CB-CD1 4.23Å; L208-L258 HydrophobicContact CB-CD2 4.22Å; L208-L258 HydrophobicContact CD2-CD1 4.24Å
209	D	96.5	Very high	97.2	Very high	98 Å²	98	37 Å²	37	52%	0.524	21%	0.206	S	C	.	.			trans	-84.4	100.6	169.8	176.6	-12.6	0	0	0	109.3	S211 S212 I213	D209-S211 VanDerWaalsContact C-N 3.33Å; D209-S211 PolarHBondContact O-N 3.24Å; D209-S211 PolarHBondContact OD1-N 2.85Å; D209-S211 VanDerWaalsContact OD1-N 3.11Å; D209-S212 PolarHBondContact O-N 2.63Å; D209-S212 PolarHBondContact OD1-N 3.38Å; D209-S212 VanDerWaalsContact OD2-CB 3.23Å; D209-S212 WeakPolarHBondContact OD2-CB 3.21Å; D209-I213 WeakPolarHBondContact O-CB 3.32Å; D209-I213 WeakPolarHBondContact O-CG1 3.37Å; D209-I213 PolarHBondContact O-N 3.34Å
210	E	95.2	Very high	97.2	Very high	40 Å²	40	36.8 Å²	36.8	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-43.9	-176.6	-64.4	174.6	-145	0	0	112.6	H171 L196 L208 I213 V214	H171-E210 IonicContact CE1-OE2 3.99Å; H171-E210 IonicContact NE2-OE2 2.68Å; H171-E210 PolarHBondContact NE2-OE2 3.39Å; L196-E210 HydrophobicContact CD2-CB 4.33Å; L208-E210 HydrophobicContact CD1-CB 4.29Å; L208-E210 HydrophobicContact CD1-CG 3.71Å; L208-E210 PolarHBondContact O-N 3.04Å; E210-I213 PolarHBondContact O-N 3.02Å; E210-V214 WeakPolarHBondContact O-CB 3.21Å; E210-V214 WeakPolarHBondContact O-CG2 3.31Å; E210-V214 PolarHBondContact O-N 3.3Å
211	S	95.3	Very high	97.2	Very high	57 Å²	57	37.4 Å²	37.4	40%	0.399	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-41.3	-177.5	-79.5	0	0	0	0	112	D209 K215	D209-S211 VanDerWaalsContact C-N 3.33Å; D209-S211 PolarHBondContact O-N 3.24Å; D209-S211 PolarHBondContact OD1-N 2.85Å; D209-S211 VanDerWaalsContact OD1-N 3.11Å; S211-K215 WeakPolarHBondContact O-CG 3.46Å; S211-K215 PolarHBondContact O-N 3.07Å
212	S	97.3	Very high	97.2	Very high	38 Å²	38	37.6 Å²	37.6	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-67.2	-48	175.6	-179.8	0	0	0	0	111.3	D209 K215 K216	D209-S212 PolarHBondContact O-N 2.63Å; D209-S212 PolarHBondContact OD1-N 3.38Å; D209-S212 VanDerWaalsContact OD2-CB 3.23Å; D209-S212 WeakPolarHBondContact OD2-CB 3.21Å; S212-K215 PolarHBondContact O-N 3.24Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 3.01Å; S212-K216 VanDerWaalsContact O-N 3.13Å
213	I	98	Very high	97.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-45.9	-178.1	-64.5	-77	0	0	0	110.8	L196 L208 D209 E210 K215 K216 I217 E254 L258	L196-I213 HydrophobicContact CD1-CG2 3.83Å; L196-I213 HydrophobicContact CD2-CB 3.66Å; L196-I213 HydrophobicContact CD2-CG2 3.46Å; L196-I213 VanDerWaalsContact CD2-CG2 3.46Å; L196-I213 HydrophobicContact CG-CG2 4.3Å; L208-I213 HydrophobicContact CB-CG1 4.44Å; L208-I213 HydrophobicContact CD1-CG1 4.29Å; D209-I213 WeakPolarHBondContact O-CB 3.32Å; D209-I213 WeakPolarHBondContact O-CG1 3.37Å; D209-I213 PolarHBondContact O-N 3.34Å; E210-I213 PolarHBondContact O-N 3.02Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 3.2Å; I213-K216 CarbonylContact O-C 3.55Å; I213-K216 WeakPolarHBondContact O-CA 3.15Å; I213-K216 WeakPolarHBondContact O-CB 3.31Å; I213-K216 PolarHBondContact O-N 3.19Å; I213-I217 HydrophobicContact CG2-CD1 3.71Å; I213-I217 HydrophobicContact CG2-CG1 4.05Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.48Å; I213-I217 PolarHBondContact O-N 3.32Å; I213-E254 HydrophobicContact CD1-CB 4.27Å; I213-E254 HydrophobicContact CD1-CG 3.29Å; I213-L258 HydrophobicContact CD1-CD1 4.27Å
214	V	97.8	Very high	97.3	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-43.1	179.1	163.8	0	0	0	0	111.8	R192 L196 E210 K216 I217 Q218	R192-V214 HydrophobicContact CB-CG1 3.69Å; R192-V214 HydrophobicContact CB-CG2 4.06Å; R192-V214 HydrophobicContact CG-CG1 4.34Å; L196-V214 HydrophobicContact CB-CG2 4.2Å; L196-V214 HydrophobicContact CD2-CG2 3.73Å; E210-V214 WeakPolarHBondContact O-CB 3.21Å; E210-V214 WeakPolarHBondContact O-CG2 3.31Å; E210-V214 PolarHBondContact O-N 3.3Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 3.04Å; V214-I217 PolarHBondContact O-N 3.04Å; V214-Q218 WeakPolarHBondContact O-CG 3.37Å; V214-Q218 PolarHBondContact O-N 3.5Å
215	K	97.3	Very high	97.3	Very high	146 Å²	146	38.7 Å²	38.7	64%	0.635	21%	0.213	S	C	*	.	H	α-helix	trans	-62.3	-40.6	175.7	-71.1	172.4	-174.1	171.5	0	111.9	S211 S212 I213 Q218 G219	S211-K215 WeakPolarHBondContact O-CG 3.46Å; S211-K215 PolarHBondContact O-N 3.07Å; S212-K215 PolarHBondContact O-N 3.24Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 3.2Å; K215-Q218 PolarHBondContact O-N 3.25Å; K215-G219 PolarHBondContact O-N 3.48Å
216	K	98.5	Very high	97.4	Very high	49 Å²	49	38.3 Å²	38.3	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-37.6	176.2	-68.8	178.1	-179	-163.2	0	112	S212 I213 V214 G219 Y220 L251 E254	S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 3.01Å; S212-K216 VanDerWaalsContact O-N 3.13Å; I213-K216 CarbonylContact O-C 3.55Å; I213-K216 WeakPolarHBondContact O-CA 3.15Å; I213-K216 WeakPolarHBondContact O-CB 3.31Å; I213-K216 PolarHBondContact O-N 3.19Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 3.04Å; K216-G219 PolarHBondContact O-N 3.16Å; K216-Y220 WeakPolarHBondContact O-CB 3.32Å; K216-Y220 PolarHBondContact O-N 2.7Å; K216-L251 HydrophobicContact CB-CB 4.08Å; K216-L251 HydrophobicContact CB-CD1 3.8Å; K216-E254 HydrophobicContact CD-CB 4.25Å; K216-E254 HydrophobicContact CD-CG 4.37Å; K216-E254 IonicContact NZ-OE2 3.63Å; K216-E254 PolarHBondContact NZ-OE2 2.98Å
217	I	98.5	Very high	97.5	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-48.7	173.6	-67.2	177.9	0	0	0	110.5	L196 I213 V214 G219 Y220 F221 L251 I305 P308 D309	L196-I217 HydrophobicContact CD1-CD1 3.96Å; I213-I217 HydrophobicContact CG2-CD1 3.71Å; I213-I217 HydrophobicContact CG2-CG1 4.05Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.48Å; I213-I217 PolarHBondContact O-N 3.32Å; V214-I217 PolarHBondContact O-N 3.04Å; I217-G219 VanDerWaalsContact C-N 3.3Å; I217-G219 PolarHBondContact O-N 3.22Å; I217-Y220 WeakPolarHBondContact O-CB 3.24Å; I217-Y220 PolarHBondContact O-N 3.41Å; I217-Y220 VanDerWaalsContact O-N 3.11Å; I217-F221 PolarHBondContact O-N 2.95Å; I217-L251 HydrophobicContact CG1-CD1 3.95Å; I217-L251 HydrophobicContact CG1-CD2 4.09Å; I217-I305 HydrophobicContact CB-CG2 4.43Å; I217-I305 HydrophobicContact CD1-CG2 4.2Å; I217-I305 HydrophobicContact CG1-CG2 3.89Å; I217-I305 HydrophobicContact CG2-CB 4Å; I217-I305 HydrophobicContact CG2-CG2 3.93Å; I217-P308 HydrophobicContact CD1-CB 4.44Å; I217-P308 HydrophobicContact CD1-CG 4.2Å; I217-P308 HydrophobicContact CG2-CB 4.29Å; I217-D309 WeakPolarHBondContact CG2-OD1 3.12Å
218	Q	97.4	Very high	97.6	Very high	48 Å²	48	33.4 Å²	33.4	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-42.6	174.8	-68	166	-18.1	0	0	111.9	R192 V214 K215 F221 N222	R192-Q218 VanDerWaalsContact CZ-NE2 3.3Å; V214-Q218 WeakPolarHBondContact O-CG 3.37Å; V214-Q218 PolarHBondContact O-N 3.5Å; K215-Q218 PolarHBondContact O-N 3.25Å; Q218-F221 PolarHBondContact O-N 3.39Å; Q218-N222 WeakPolarHBondContact O-CB 3.39Å; Q218-N222 VanDerWaalsContact O-CG 3.24Å; Q218-N222 PolarHBondContact O-N 2.93Å; Q218-N222 PolarHBondContact O-ND2 3Å
219	G	98.1	Very high	97.6	Very high	13 Å²	13	32 Å²	32	13%	0.134	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-42.8	174.6	0	0	0	0	0	112.8	K215 K216 I217 N222 A223 S247	K215-G219 PolarHBondContact O-N 3.48Å; K216-G219 PolarHBondContact O-N 3.16Å; I217-G219 VanDerWaalsContact C-N 3.3Å; I217-G219 PolarHBondContact O-N 3.22Å; G219-N222 PolarHBondContact O-N 3.43Å; G219-A223 PolarHBondContact O-N 3.41Å; G219-S247 WeakPolarHBondContact O-CB 3.31Å
220	Y	98.7	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-45.8	176.2	-178.2	-86	0	0	0	111.9	V125 M127 K216 I217 N222 A223 W224 A248 L251 Q298 L301 I305	V125-Y220 HydrophobicContact CB-CE2 4.19Å; V125-Y220 WeakPolarHBondContact O-CE2 3.3Å; V125-Y220 PolarHBondContact O-OH 2.96Å; M127-Y220 HydrophobicContact CE-CE1 3.86Å; M127-Y220 WeakPolarHBondContact CE-OH 3.3Å; K216-Y220 WeakPolarHBondContact O-CB 3.32Å; K216-Y220 PolarHBondContact O-N 2.7Å; I217-Y220 WeakPolarHBondContact O-CB 3.24Å; I217-Y220 PolarHBondContact O-N 3.41Å; I217-Y220 VanDerWaalsContact O-N 3.11Å; Y220-N222 VanDerWaalsContact C-N 3.32Å; Y220-N222 PolarHBondContact O-N 3.35Å; Y220-A223 WeakPolarHBondContact O-CB 3.21Å; Y220-A223 PolarHBondContact O-N 2.9Å; Y220-A223 VanDerWaalsContact O-N 3.12Å; Y220-W224 WeakPolarHBondContact O-CB 3.28Å; Y220-W224 PolarHBondContact O-N 2.98Å; Y220-A248 HydrophobicContact CD2-CB 4.28Å; Y220-L251 VanDerWaalsContact CB-CD2 3.44Å; Y220-L251 HydrophobicContact CD1-CD2 4.26Å; Y220-L251 HydrophobicContact CD2-CB 4.37Å; Y220-L251 HydrophobicContact CD2-CD2 3.88Å; Y220-L251 HydrophobicContact CG-CD2 3.61Å; Y220-Q298 PolarHBondContact OH-NE2 2.94Å; Y220-L301 HydrophobicContact CD1-CD2 4.46Å; Y220-L301 HydrophobicContact CE1-CD2 3.91Å; Y220-L301 HydrophobicContact CE2-CD1 4.21Å; Y220-L301 HydrophobicContact CE2-CD2 4.07Å; Y220-I305 HydrophobicContact CD1-CD1 3.92Å; Y220-I305 HydrophobicContact CE1-CD1 3.61Å
221	F	98.1	Very high	97.7	Very high	25 Å²	25	29.2 Å²	29.2	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-43.5	176	-176.3	-96.3	0	0	0	111.4	I217 Q218 A223 W224 Q225 D309 L477 S478	I217-F221 PolarHBondContact O-N 2.95Å; Q218-F221 PolarHBondContact O-N 3.39Å; F221-A223 VanDerWaalsContact C-N 3.32Å; F221-A223 PolarHBondContact O-N 3.26Å; F221-W224 AromaticContact CD2-CE3 3.54Å; F221-W224 HydrophobicContact CD2-CE3 3.54Å; F221-W224 AromaticContact CD2-CZ3 3.69Å; F221-W224 HydrophobicContact CD2-CZ3 3.69Å; F221-W224 AromaticContact CE2-CE3 3.82Å; F221-W224 HydrophobicContact CE2-CE3 3.82Å; F221-W224 AromaticContact CE2-CZ3 3.72Å; F221-W224 HydrophobicContact CE2-CZ3 3.72Å; F221-W224 PolarHBondContact O-N 2.83Å; F221-Q225 WeakPolarHBondContact O-CB 3.44Å; F221-Q225 PolarHBondContact O-N 3.26Å; F221-D309 HydrophobicContact CD2-CB 4.16Å; F221-D309 WeakPolarHBondContact CD2-OD2 3.16Å; F221-L477 HydrophobicContact CE2-CD2 4.45Å; F221-S478 WeakPolarHBondContact CZ-OG 3.41Å
222	N	97.5	Very high	97.7	Very high	78 Å²	78	31.3 Å²	31.3	42%	0.417	16%	0.161	S	C	.	.	H	α-helix	trans	-59.8	-40.5	174	-76.4	-40.7	0	0	0	112.5	Q218 G219 Y220 A226	Q218-N222 WeakPolarHBondContact O-CB 3.39Å; Q218-N222 VanDerWaalsContact O-CG 3.24Å; Q218-N222 PolarHBondContact O-N 2.93Å; Q218-N222 PolarHBondContact O-ND2 3Å; G219-N222 PolarHBondContact O-N 3.43Å; Y220-N222 VanDerWaalsContact C-N 3.32Å; Y220-N222 PolarHBondContact O-N 3.35Å; N222-A226 WeakPolarHBondContact O-CB 3.34Å; N222-A226 PolarHBondContact O-N 3.46Å
223	A	98.4	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-44.8	174.8	0	0	0	0	0	112.1	V125 G219 Y220 F221 A226 L227 Y244 A248	V125-A223 HydrophobicContact CG1-CB 4.28Å; G219-A223 PolarHBondContact O-N 3.41Å; Y220-A223 WeakPolarHBondContact O-CB 3.21Å; Y220-A223 PolarHBondContact O-N 2.9Å; Y220-A223 VanDerWaalsContact O-N 3.12Å; F221-A223 VanDerWaalsContact C-N 3.32Å; F221-A223 PolarHBondContact O-N 3.26Å; A223-A226 PolarHBondContact O-N 2.88Å; A223-L227 VanDerWaalsContact O-CB 3.28Å; A223-L227 WeakPolarHBondContact O-CB 3.27Å; A223-L227 WeakPolarHBondContact O-CG 3.16Å; A223-L227 PolarHBondContact O-N 3.12Å; A223-Y244 HydrophobicContact CB-CD1 4.09Å; A223-Y244 HydrophobicContact CB-CG 4.35Å; A223-Y244 WeakPolarHBondContact CB-O 3.49Å; A223-A248 HydrophobicContact CB-CB 4.45Å
224	W	98.5	Very high	97.4	Very high	24 Å²	24	36 Å²	36	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-54.9	177.5	172.2	29.5	0	0	0	111.7	V125 M127 I133 F134 Y220 F221 A226 L227 L228 L477	V125-W224 HydrophobicContact CG1-CB 4.32Å; M127-W224 HydrophobicContact CE-CD2 4.06Å; M127-W224 HydrophobicContact CE-CE3 4.31Å; M127-W224 HydrophobicContact CE-CG 4.47Å; M127-W224 HydrophobicContact CE-CZ2 4.23Å; M127-W224 HydrophobicContact SD-CD2 4.3Å; M127-W224 HydrophobicContact SD-CG 4.39Å; M127-W224 HydrophobicContact SD-CZ2 4.26Å; I133-W224 HydrophobicContact CG2-CH2 3.91Å; I133-W224 HydrophobicContact CG2-CZ2 3.75Å; F134-W224 AromaticContact CD2-CE2 3.83Å; F134-W224 AromaticContact CD2-CZ2 3.51Å; F134-W224 HydrophobicContact CD2-CZ2 3.51Å; F134-W224 AromaticContact CD2-NE1 3.56Å; F134-W224 AromaticContact CE2-CE2 3.83Å; F134-W224 AromaticContact CE2-CZ2 3.4Å; F134-W224 HydrophobicContact CE2-CZ2 3.4Å; F134-W224 VanDerWaalsContact CE2-CZ2 3.4Å; F134-W224 AromaticContact CE2-NE1 3.67Å; Y220-W224 WeakPolarHBondContact O-CB 3.28Å; Y220-W224 PolarHBondContact O-N 2.98Å; F221-W224 AromaticContact CD2-CE3 3.54Å; F221-W224 HydrophobicContact CD2-CE3 3.54Å; F221-W224 AromaticContact CD2-CZ3 3.69Å; F221-W224 HydrophobicContact CD2-CZ3 3.69Å; F221-W224 AromaticContact CE2-CE3 3.82Å; F221-W224 HydrophobicContact CE2-CE3 3.82Å; F221-W224 AromaticContact CE2-CZ3 3.72Å; F221-W224 HydrophobicContact CE2-CZ3 3.72Å; F221-W224 PolarHBondContact O-N 2.83Å; W224-A226 PolarHBondContact O-N 2.79Å; W224-L227 PolarHBondContact O-N 3.34Å; W224-L228 VanDerWaalsContact O-CB 3.3Å; W224-L228 WeakPolarHBondContact O-CB 3.44Å; W224-L228 PolarHBondContact O-N 2.84Å; W224-L477 HydrophobicContact CD2-CD2 3.84Å; W224-L477 HydrophobicContact CE3-CD2 4.26Å; W224-L477 HydrophobicContact CG-CD2 4.28Å; W224-L477 HydrophobicContact CH2-CD2 4.44Å; W224-L477 HydrophobicContact CZ2-CD2 4.07Å
225	Q	97.7	Very high	97.4	Very high	19 Å²	19	36.4 Å²	36.4	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-49.2	177.1	176.4	167.2	-73.5	0	0	111.4	F221 L227 D476 L477	F221-Q225 WeakPolarHBondContact O-CB 3.44Å; F221-Q225 PolarHBondContact O-N 3.26Å; Q225-L227 VanDerWaalsContact C-N 3.35Å; Q225-L227 PolarHBondContact O-N 3.21Å; Q225-D476 HydrophobicContact CG-CB 4.22Å; Q225-D476 WeakPolarHBondContact CG-OD2 3.29Å; Q225-D476 PolarHBondContact NE2-OD2 3.33Å; Q225-L477 HydrophobicContact CB-CB 4.11Å; Q225-L477 HydrophobicContact CB-CD2 4.22Å; Q225-L477 HydrophobicContact CG-CB 3.75Å
226	A	97.4	Very high	97.2	Very high	18 Å²	18	37 Å²	37	15%	0.149	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-35.3	-175.7	0	0	0	0	0	113.5	N222 A223 W224 K230 Y244	N222-A226 WeakPolarHBondContact O-CB 3.34Å; N222-A226 PolarHBondContact O-N 3.46Å; A223-A226 PolarHBondContact O-N 2.88Å; W224-A226 PolarHBondContact O-N 2.79Å; A226-K230 WeakPolarHBondContact O-CE 3.3Å; A226-K230 WeakPolarHBondContact O-CG 3.4Å; A226-Y244 HydrophobicContact CB-CD1 4Å; A226-Y244 HydrophobicContact CB-CD2 4.35Å; A226-Y244 HydrophobicContact CB-CE1 3.45Å; A226-Y244 VanDerWaalsContact CB-CE1 3.45Å; A226-Y244 HydrophobicContact CB-CE2 3.89Å; A226-Y244 HydrophobicContact CB-CG 4.4Å
227	L	98.2	Very high	97.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-93.9	-16.9	-173.7	-61.5	-179.8	0	0	0	113.8	C124 V125 A223 W224 Q225 I229 K230 F234 F235 Y244	C124-L227 HydrophobicContact CB-CD1 3.98Å; V125-L227 HydrophobicContact CG1-CD1 4.42Å; A223-L227 VanDerWaalsContact O-CB 3.28Å; A223-L227 WeakPolarHBondContact O-CB 3.27Å; A223-L227 WeakPolarHBondContact O-CG 3.16Å; A223-L227 PolarHBondContact O-N 3.12Å; W224-L227 PolarHBondContact O-N 3.34Å; Q225-L227 VanDerWaalsContact C-N 3.35Å; Q225-L227 PolarHBondContact O-N 3.21Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 PolarHBondContact O-N 3.29Å; L227-I229 VanDerWaalsContact O-N 3.17Å; L227-K230 PolarHBondContact O-N 2.88Å; L227-F234 HydrophobicContact CD2-CD1 4.36Å; L227-F234 HydrophobicContact CD2-CE1 3.69Å; L227-F235 HydrophobicContact CB-CZ 4.32Å; L227-F235 HydrophobicContact CD2-CE1 3.94Å; L227-F235 HydrophobicContact CD2-CZ 4.12Å; L227-Y244 HydrophobicContact CD2-CD2 3.91Å; L227-Y244 HydrophobicContact CD2-CG 4.37Å; L227-Y244 HydrophobicContact CG-CD2 4.35Å; L227-Y244 HydrophobicContact CG-CG 4.34Å
228	L	98.3	Very high	96.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.4	-168.3	-176.8	62.3	0	0	0	114	I70 G117 S118 L122 F134 W224 M374 L477	I70-L228 HydrophobicContact CD1-CD2 4.37Å; G117-L228 CarbonylContact C-O 3.52Å; G117-L228 WeakPolarHBondContact CA-O 3.4Å; S118-L228 WeakPolarHBondContact CB-O 3.19Å; S118-L228 PolarHBondContact N-O 2.82Å; L122-L228 HydrophobicContact CD2-CD1 3.75Å; F134-L228 HydrophobicContact CD1-CD1 3.84Å; F134-L228 HydrophobicContact CE1-CD1 3.62Å; F134-L228 HydrophobicContact CE1-CD2 4.06Å; F134-L228 HydrophobicContact CE1-CG 4.39Å; F134-L228 HydrophobicContact CE2-CD2 4.44Å; F134-L228 HydrophobicContact CG-CD1 4.39Å; F134-L228 HydrophobicContact CZ-CD1 4Å; F134-L228 HydrophobicContact CZ-CD2 3.74Å; W224-L228 VanDerWaalsContact O-CB 3.3Å; W224-L228 WeakPolarHBondContact O-CB 3.44Å; W224-L228 PolarHBondContact O-N 2.84Å; L228-M374 HydrophobicContact CD2-CE 4.14Å; L228-M374 HydrophobicContact CD2-SD 3.76Å; L228-L477 HydrophobicContact CD2-CD1 3.49Å; L228-L477 VanDerWaalsContact CD2-CD1 3.49Å; L228-L477 HydrophobicContact CD2-CD2 4.12Å; L228-L477 HydrophobicContact CD2-CG 4.39Å
229	I	97.6	Very high	96.6	Very high	8 Å²	8	48 Å²	48	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	18	-177.9	61.2	157.5	0	0	0	112.9	H62 F65 L66 I70 I89 L227 M374	H62-I229 PolarHBondContact CE1-O 3.12Å; H62-I229 PolarHBondContact NE2-O 3.01Å; F65-I229 HydrophobicContact CB-CD1 3.84Å; F65-I229 HydrophobicContact CD1-CD1 4.44Å; L66-I229 HydrophobicContact CD2-CD1 4.18Å; L66-I229 HydrophobicContact CD2-CG1 4.18Å; I70-I229 HydrophobicContact CD1-CD1 4.13Å; I70-I229 HydrophobicContact CD1-CG1 4.26Å; I70-I229 HydrophobicContact CD1-CG2 4.15Å; I70-I229 HydrophobicContact CG1-CD1 3.69Å; I70-I229 HydrophobicContact CG1-CG1 4.35Å; I89-I229 HydrophobicContact CG2-CB 4.12Å; I89-I229 HydrophobicContact CG2-CG2 4.26Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 PolarHBondContact O-N 3.29Å; L227-I229 VanDerWaalsContact O-N 3.17Å; I229-M374 HydrophobicContact CG2-CE 4.4Å
230	K	97.5	Very high	96.4	Very high	47 Å²	47	51 Å²	51	20%	0.204	25%	0.25	C	C	.	.			trans	-69.1	135.8	178.6	-70.8	-72.9	176.5	-173.2	0	110.6	L66 S118 A226 L227 F234 F235	L66-K230 HydrophobicContact CD2-CD 3.99Å; S118-K230 WeakPolarHBondContact CB-O 3.48Å; S118-K230 PolarHBondContact OG-O 3.39Å; A226-K230 WeakPolarHBondContact O-CE 3.3Å; A226-K230 WeakPolarHBondContact O-CG 3.4Å; L227-K230 PolarHBondContact O-N 2.88Å; K230-F234 HydrophobicContact CB-CB 4.12Å; K230-F234 HydrophobicContact CB-CD1 3.8Å; K230-F234 HydrophobicContact CB-CE1 4.47Å; K230-F234 HydrophobicContact CB-CG 4.07Å; K230-F234 HydrophobicContact CD-CD1 4.11Å; K230-F234 HydrophobicContact CD-CD2 4.07Å; K230-F234 HydrophobicContact CD-CE1 4.26Å; K230-F234 HydrophobicContact CD-CE2 4.25Å; K230-F234 HydrophobicContact CD-CG 4.01Å; K230-F234 HydrophobicContact CD-CZ 4.34Å; K230-F234 HydrophobicContact CG-CD1 3.86Å; K230-F234 HydrophobicContact CG-CE1 4.06Å; K230-F234 HydrophobicContact CG-CG 4.2Å; K230-F235 HydrophobicContact CB-CE2 3.77Å; K230-F235 HydrophobicContact CB-CZ 4.06Å
231	P	96.5	Very high	96.2	Very high	32 Å²	32	53.1 Å²	53.1	21%	0.208	26%	0.258	C	S	.	.			trans	-68.5	154.5	178.1	29.8	-35.6	0	0	0	110.9	I233 F234	P231-I233 HydrophobicContact CB-CG2 4.05Å; P231-I233 HydrophobicContact CG-CG2 3.82Å; P231-I233 PolarHBondContact O-N 3.3Å; P231-F234 WeakPolarHBondContact O-CB 3.44Å; P231-F234 PolarHBondContact O-N 2.99Å
232	N	94.6	Very high	96.1	Very high	101 Å²	101	59.5 Å²	59.5	54%	0.54	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.8	-177.8	-73.5	-27.6	0	0	0	114.1	F234 F235	N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 2.87Å; N232-F235 PolarHBondContact O-N 3.38Å
233	I	93.9	Very high	96.1	Very high	105 Å²	105	63 Å²	63	54%	0.538	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.2	176	-170.6	60.3	0	0	0	112.7	P231 F235 K236	P231-I233 HydrophobicContact CB-CG2 4.05Å; P231-I233 HydrophobicContact CG-CG2 3.82Å; P231-I233 PolarHBondContact O-N 3.3Å; I233-F235 VanDerWaalsContact C-N 3.26Å; I233-F235 PolarHBondContact O-N 3.33Å; I233-K236 HydrophobicContact CD1-CD 4.01Å; I233-K236 WeakPolarHBondContact O-CB 3.42Å; I233-K236 PolarHBondContact O-N 3.35Å; I233-K236 VanDerWaalsContact O-N 3.09Å
234	F	95.9	Very high	96	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.145	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60.3	-39	177.4	-177.4	-102.3	0	0	0	111.4	L227 K230 P231 N232 K236 I237 L240	L227-F234 HydrophobicContact CD2-CD1 4.36Å; L227-F234 HydrophobicContact CD2-CE1 3.69Å; K230-F234 HydrophobicContact CB-CB 4.12Å; K230-F234 HydrophobicContact CB-CD1 3.8Å; K230-F234 HydrophobicContact CB-CE1 4.47Å; K230-F234 HydrophobicContact CB-CG 4.07Å; K230-F234 HydrophobicContact CD-CD1 4.11Å; K230-F234 HydrophobicContact CD-CD2 4.07Å; K230-F234 HydrophobicContact CD-CE1 4.26Å; K230-F234 HydrophobicContact CD-CE2 4.25Å; K230-F234 HydrophobicContact CD-CG 4.01Å; K230-F234 HydrophobicContact CD-CZ 4.34Å; K230-F234 HydrophobicContact CG-CD1 3.86Å; K230-F234 HydrophobicContact CG-CE1 4.06Å; K230-F234 HydrophobicContact CG-CG 4.2Å; P231-F234 WeakPolarHBondContact O-CB 3.44Å; P231-F234 PolarHBondContact O-N 2.99Å; N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 2.87Å; F234-K236 VanDerWaalsContact C-N 3.26Å; F234-K236 PolarHBondContact O-N 3.31Å; F234-I237 PolarHBondContact O-N 2.69Å; F234-L240 HydrophobicContact CD2-CB 4.37Å; F234-L240 HydrophobicContact CD2-CD1 4.15Å; F234-L240 HydrophobicContact CE2-CB 3.79Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CZ-CB 3.98Å
235	F	96.1	Very high	96	Very high	13 Å²	13	69.3 Å²	69.3	6%	0.057	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-79.9	-0.2	179.7	-59.5	-85.7	0	0	0	114	S118 R120 L227 K230 N232 I233 Y241	S118-F235 WeakPolarHBondContact OG-CE2 2.8Å; R120-F235 HydrophobicContact CB-CB 4.41Å; R120-F235 HydrophobicContact CB-CD1 3.95Å; R120-F235 HydrophobicContact CB-CD2 3.77Å; R120-F235 HydrophobicContact CB-CE1 4.09Å; R120-F235 HydrophobicContact CB-CE2 3.93Å; R120-F235 HydrophobicContact CB-CG 3.78Å; R120-F235 HydrophobicContact CB-CZ 4.08Å; R120-F235 HydrophobicContact CG-CG 4.47Å; R120-F235 PolarHBondContact NH1-O 3.12Å; L227-F235 HydrophobicContact CB-CZ 4.32Å; L227-F235 HydrophobicContact CD2-CE1 3.94Å; L227-F235 HydrophobicContact CD2-CZ 4.12Å; K230-F235 HydrophobicContact CB-CE2 3.77Å; K230-F235 HydrophobicContact CB-CZ 4.06Å; N232-F235 PolarHBondContact O-N 3.38Å; I233-F235 VanDerWaalsContact C-N 3.26Å; I233-F235 PolarHBondContact O-N 3.33Å; F235-Y241 HydrophobicContact CB-CE1 4.3Å; F235-Y241 HydrophobicContact CD1-CD1 4.22Å; F235-Y241 HydrophobicContact CD1-CE1 4.35Å; F235-Y241 HydrophobicContact CD1-CG 4.3Å
236	K	94.6	Very high	96	Very high	160 Å²	160	75.6 Å²	75.6	70%	0.696	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-81.9	-21	169.3	-65.9	-165.9	-178.9	-179.5	0	112	I233 F234	I233-K236 HydrophobicContact CD1-CD 4.01Å; I233-K236 WeakPolarHBondContact O-CB 3.42Å; I233-K236 PolarHBondContact O-N 3.35Å; I233-K236 VanDerWaalsContact O-N 3.09Å; F234-K236 VanDerWaalsContact C-N 3.26Å; F234-K236 PolarHBondContact O-N 3.31Å
237	I	94.8	Very high	96	Very high	62 Å²	62	76 Å²	76	32%	0.318	35%	0.346	S	S	.	.	S	Bend	trans	-107.4	88.7	-176.6	-51.4	174.7	0	0	0	108	F234 W239 L240	F234-I237 PolarHBondContact O-N 2.69Å; I237-W239 VanDerWaalsContact C-N 3.32Å; I237-W239 HydrophobicContact CG2-CD2 3.59Å; I237-W239 HydrophobicContact CG2-CE3 3.99Å; I237-W239 HydrophobicContact CG2-CG 4.23Å; I237-W239 HydrophobicContact CG2-CH2 3.74Å; I237-W239 HydrophobicContact CG2-CZ2 3.3Å; I237-W239 HydrophobicContact CG2-CZ3 4.06Å; I237-W239 PolarHBondContact O-N 2.68Å; I237-L240 HydrophobicContact CB-CD1 3.82Å; I237-L240 HydrophobicContact CB-CG 4.12Å; I237-L240 HydrophobicContact CD1-CD1 4.01Å; I237-L240 HydrophobicContact CG1-CD1 4.49Å; I237-L240 HydrophobicContact CG2-CD1 3.86Å; I237-L240 HydrophobicContact CG2-CG 3.77Å; I237-L240 WeakPolarHBondContact O-CB 3.39Å; I237-L240 PolarHBondContact O-N 3.11Å; I237-L240 VanDerWaalsContact O-N 3.09Å
238	S	91.7	Very high	96	Very high	67 Å²	67	76 Å²	76	47%	0.469	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-57.2	-38.4	-167.5	58.7	0	0	0	0	114.7	L240 Y241 R242	S238-L240 PolarHBondContact O-N 3.29Å; S238-L240 VanDerWaalsContact O-N 3.16Å; S238-Y241 VanDerWaalsContact CA-CE1 3.46Å; S238-Y241 PolarHBondContact O-N 3.23Å; S238-R242 PolarHBondContact O-N 3.18Å
239	W	94.5	Very high	96	Very high	200 Å²	200	81.3 Å²	81.3	76%	0.758	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.6	-179.2	68.1	73.7	0	0	0	113.5	I237 Y241	I237-W239 VanDerWaalsContact C-N 3.32Å; I237-W239 HydrophobicContact CG2-CD2 3.59Å; I237-W239 HydrophobicContact CG2-CE3 3.99Å; I237-W239 HydrophobicContact CG2-CG 4.23Å; I237-W239 HydrophobicContact CG2-CH2 3.74Å; I237-W239 HydrophobicContact CG2-CZ2 3.3Å; I237-W239 HydrophobicContact CG2-CZ3 4.06Å; I237-W239 PolarHBondContact O-N 2.68Å; W239-Y241 VanDerWaalsContact C-N 3.34Å
240	L	94.1	Very high	96	Very high	78 Å²	78	84.1 Å²	84.1	41%	0.408	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-72.4	-26.4	179	-67.7	180	0	0	0	113	F234 I237 S238	F234-L240 HydrophobicContact CD2-CB 4.37Å; F234-L240 HydrophobicContact CD2-CD1 4.15Å; F234-L240 HydrophobicContact CE2-CB 3.79Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CZ-CB 3.98Å; I237-L240 HydrophobicContact CB-CD1 3.82Å; I237-L240 HydrophobicContact CB-CG 4.12Å; I237-L240 HydrophobicContact CD1-CD1 4.01Å; I237-L240 HydrophobicContact CG1-CD1 4.49Å; I237-L240 HydrophobicContact CG2-CD1 3.86Å; I237-L240 HydrophobicContact CG2-CG 3.77Å; I237-L240 WeakPolarHBondContact O-CB 3.39Å; I237-L240 PolarHBondContact O-N 3.11Å; I237-L240 VanDerWaalsContact O-N 3.09Å; S238-L240 PolarHBondContact O-N 3.29Å; S238-L240 VanDerWaalsContact O-N 3.16Å
241	Y	95.4	Very high	96	Very high	43 Å²	43	81.9 Å²	81.9	17%	0.169	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-7.6	-175.4	74.4	-97.5	0	0	0	114.6	F235 S238 W239 K243 Y244 E245	F235-Y241 HydrophobicContact CB-CE1 4.3Å; F235-Y241 HydrophobicContact CD1-CD1 4.22Å; F235-Y241 HydrophobicContact CD1-CE1 4.35Å; F235-Y241 HydrophobicContact CD1-CG 4.3Å; S238-Y241 VanDerWaalsContact CA-CE1 3.46Å; S238-Y241 PolarHBondContact O-N 3.23Å; W239-Y241 VanDerWaalsContact C-N 3.34Å; Y241-K243 PolarHBondContact O-N 2.8Å; Y241-K243 VanDerWaalsContact O-N 3.11Å; Y241-Y244 WeakPolarHBondContact O-CB 3.26Å; Y241-Y244 PolarHBondContact O-N 3.23Å; Y241-E245 HydrophobicContact CD2-CB 4.34Å; Y241-E245 PolarHBondContact O-N 2.95Å
242	R	95.4	Very high	96.1	Very high	159 Å²	159	83.1 Å²	83.1	60%	0.6	38%	0.376	S	S	*	.	H	α-helix	trans	-53.7	-32.8	179.6	-166.6	176.5	-173.9	-174.8	1.4	113.8	S238 R246	S238-R242 PolarHBondContact O-N 3.18Å; R242-R246 WeakPolarHBondContact O-CB 3.35Å; R242-R246 PolarHBondContact O-N 3.49Å
243	K	96.3	Very high	96.3	Very high	152 Å²	152	82 Å²	82	66%	0.661	37%	0.371	S	S	*	.	H	α-helix	trans	-59.4	-49.4	173.9	-179.9	-176.3	175.5	-177.3	0	111.2	Y241 R246 S247	Y241-K243 PolarHBondContact O-N 2.8Å; Y241-K243 VanDerWaalsContact O-N 3.11Å; K243-R246 PolarHBondContact O-N 3.44Å; K243-S247 PolarHBondContact O-N 3.02Å; K243-S247 PolarHBondContact O-OG 2.93Å
244	Y	97.6	Very high	96.5	Very high	65 Å²	65	80 Å²	80	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-69.9	-38	-178.5	-58.3	-61.1	0	0	0	112	A223 A226 L227 Y241 R246 S247 A248	A223-Y244 HydrophobicContact CB-CD1 4.09Å; A223-Y244 HydrophobicContact CB-CG 4.35Å; A223-Y244 WeakPolarHBondContact CB-O 3.49Å; A226-Y244 HydrophobicContact CB-CD1 4Å; A226-Y244 HydrophobicContact CB-CD2 4.35Å; A226-Y244 HydrophobicContact CB-CE1 3.45Å; A226-Y244 VanDerWaalsContact CB-CE1 3.45Å; A226-Y244 HydrophobicContact CB-CE2 3.89Å; A226-Y244 HydrophobicContact CB-CG 4.4Å; L227-Y244 HydrophobicContact CD2-CD2 3.91Å; L227-Y244 HydrophobicContact CD2-CG 4.37Å; L227-Y244 HydrophobicContact CG-CD2 4.35Å; L227-Y244 HydrophobicContact CG-CG 4.34Å; Y241-Y244 WeakPolarHBondContact O-CB 3.26Å; Y241-Y244 PolarHBondContact O-N 3.23Å; Y244-R246 VanDerWaalsContact C-N 3.32Å; Y244-R246 PolarHBondContact O-N 3.08Å; Y244-S247 PolarHBondContact O-N 2.92Å; Y244-A248 WeakPolarHBondContact O-CB 3.43Å; Y244-A248 PolarHBondContact O-N 3.28Å
245	E	97.3	Very high	96.6	Very high	92 Å²	92	78.6 Å²	78.6	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-43.3	173.4	-177.8	176.5	-131.6	0	0	111.6	Y241 A248 K249	Y241-E245 HydrophobicContact CD2-CB 4.34Å; Y241-E245 PolarHBondContact O-N 2.95Å; E245-A248 PolarHBondContact O-N 3.25Å; E245-K249 VanDerWaalsContact O-CB 3.32Å; E245-K249 WeakPolarHBondContact O-CB 3.44Å; E245-K249 PolarHBondContact O-N 3.49Å
246	R	97.9	Very high	96.7	Very high	150 Å²	150	79.2 Å²	79.2	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-61.7	-51.6	174.7	-172.1	-178.2	-63.4	174.4	-2	111.4	R242 K243 Y244 A248 K249 D250	R242-R246 WeakPolarHBondContact O-CB 3.35Å; R242-R246 PolarHBondContact O-N 3.49Å; K243-R246 PolarHBondContact O-N 3.44Å; Y244-R246 VanDerWaalsContact C-N 3.32Å; Y244-R246 PolarHBondContact O-N 3.08Å; R246-A248 VanDerWaalsContact C-N 3.29Å; R246-A248 PolarHBondContact O-N 3.36Å; R246-K249 PolarHBondContact O-N 3.33Å; R246-K249 VanDerWaalsContact O-N 3.08Å; R246-D250 PolarHBondContact O-N 3.39Å
247	S	97.9	Very high	96.8	Very high	27 Å²	27	74.2 Å²	74.2	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-39.4	178.8	-59.9	0	0	0	0	112.9	G219 K243 Y244 L251	G219-S247 WeakPolarHBondContact O-CB 3.31Å; K243-S247 PolarHBondContact O-N 3.02Å; K243-S247 PolarHBondContact O-OG 2.93Å; Y244-S247 PolarHBondContact O-N 2.92Å; S247-L251 PolarHBondContact O-N 3.42Å
248	A	97.8	Very high	97	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-40.7	175.8	0	0	0	0	0	112	V125 Y220 A223 Y244 E245 R246 K252	V125-A248 HydrophobicContact CG1-CB 4.39Å; Y220-A248 HydrophobicContact CD2-CB 4.28Å; A223-A248 HydrophobicContact CB-CB 4.45Å; Y244-A248 WeakPolarHBondContact O-CB 3.43Å; Y244-A248 PolarHBondContact O-N 3.28Å; E245-A248 PolarHBondContact O-N 3.25Å; R246-A248 VanDerWaalsContact C-N 3.29Å; R246-A248 PolarHBondContact O-N 3.36Å; A248-K252 WeakPolarHBondContact O-CB 3.35Å; A248-K252 WeakPolarHBondContact O-CD 3.35Å; A248-K252 WeakPolarHBondContact O-CG 3.46Å; A248-K252 PolarHBondContact O-N 2.89Å
249	K	97.9	Very high	97.3	Very high	112 Å²	112	68.6 Å²	68.6	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-44.4	176.7	179.1	169.1	174.2	52.3	0	112.1	E245 R246 L251 K252 D253	E245-K249 VanDerWaalsContact O-CB 3.32Å; E245-K249 WeakPolarHBondContact O-CB 3.44Å; E245-K249 PolarHBondContact O-N 3.49Å; R246-K249 PolarHBondContact O-N 3.33Å; R246-K249 VanDerWaalsContact O-N 3.08Å; K249-L251 VanDerWaalsContact C-N 3.3Å; K249-L251 PolarHBondContact O-N 3.05Å; K249-K252 PolarHBondContact O-N 3.4Å; K249-K252 VanDerWaalsContact O-N 3.12Å; K249-D253 WeakPolarHBondContact CE-OD2 3.48Å; K249-D253 VanDerWaalsContact CG-OD2 3.29Å; K249-D253 WeakPolarHBondContact CG-OD2 3.43Å; K249-D253 VanDerWaalsContact NZ-CG 3.3Å; K249-D253 IonicContact NZ-OD1 2.69Å; K249-D253 PolarHBondContact NZ-OD1 2.87Å; K249-D253 IonicContact NZ-OD2 3.53Å; K249-D253 PolarHBondContact NZ-OD2 2.83Å; K249-D253 WeakPolarHBondContact O-CB 3.44Å; K249-D253 PolarHBondContact O-N 3.24Å
250	D	98.2	Very high	97.4	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-40.9	-176.6	-66.2	-18.5	0	0	0	112.1	R246 E254	R246-D250 PolarHBondContact O-N 3.39Å; D250-E254 WeakPolarHBondContact O-CB 3.37Å; D250-E254 PolarHBondContact O-N 3.4Å
251	L	98.4	Very high	97.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-72.9	-44.6	174.1	-176.6	64	0	0	0	111.7	K216 I217 Y220 S247 K249 D253 E254 I255 L301 I305	K216-L251 HydrophobicContact CB-CB 4.08Å; K216-L251 HydrophobicContact CB-CD1 3.8Å; I217-L251 HydrophobicContact CG1-CD1 3.95Å; I217-L251 HydrophobicContact CG1-CD2 4.09Å; Y220-L251 VanDerWaalsContact CB-CD2 3.44Å; Y220-L251 HydrophobicContact CD1-CD2 4.26Å; Y220-L251 HydrophobicContact CD2-CB 4.37Å; Y220-L251 HydrophobicContact CD2-CD2 3.88Å; Y220-L251 HydrophobicContact CG-CD2 3.61Å; S247-L251 PolarHBondContact O-N 3.42Å; K249-L251 VanDerWaalsContact C-N 3.3Å; K249-L251 PolarHBondContact O-N 3.05Å; L251-D253 PolarHBondContact O-N 2.55Å; L251-E254 PolarHBondContact O-N 2.96Å; L251-I255 HydrophobicContact CD1-CD1 4.25Å; L251-I255 HydrophobicContact CD1-CG1 4.04Å; L251-I255 HydrophobicContact CG-CG1 4.17Å; L251-I255 WeakPolarHBondContact O-CG1 3.26Å; L251-I255 PolarHBondContact O-N 3.12Å; L251-L301 HydrophobicContact CD2-CD1 4.19Å; L251-L301 HydrophobicContact CD2-CD2 4.38Å; L251-L301 HydrophobicContact CD2-CG 4.21Å; L251-L301 HydrophobicContact CG-CD1 4.18Å; L251-I305 HydrophobicContact CD2-CG2 3.87Å
252	K	98.3	Very high	97.6	Very high	57 Å²	57	61.8 Å²	61.8	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-44	-178.9	-79.2	173.4	176.2	-179.5	0	112.7	C124 V125 G126 A248 K249 E254 A256 L301	C124-K252 PolarHBondContact O-NZ 2.67Å; V125-K252 WeakPolarHBondContact O-CE 3.3Å; V125-K252 PolarHBondContact O-NZ 3.27Å; G126-K252 VanDerWaalsContact CA-NZ 3.27Å; A248-K252 WeakPolarHBondContact O-CB 3.35Å; A248-K252 WeakPolarHBondContact O-CD 3.35Å; A248-K252 WeakPolarHBondContact O-CG 3.46Å; A248-K252 PolarHBondContact O-N 2.89Å; K249-K252 PolarHBondContact O-N 3.4Å; K249-K252 VanDerWaalsContact O-N 3.12Å; K252-E254 VanDerWaalsContact C-N 3.31Å; K252-A256 VanDerWaalsContact O-CB 3.26Å; K252-A256 WeakPolarHBondContact O-CB 3.43Å; K252-A256 PolarHBondContact O-N 3.44Å; K252-L301 HydrophobicContact CG-CD1 3.77Å
253	D	98.1	Very high	97.6	Very high	78 Å²	78	55.5 Å²	55.5	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-40	179.4	-70	-9.9	0	0	0	110.3	K249 L251 A256 A257	K249-D253 WeakPolarHBondContact CE-OD2 3.48Å; K249-D253 VanDerWaalsContact CG-OD2 3.29Å; K249-D253 WeakPolarHBondContact CG-OD2 3.43Å; K249-D253 VanDerWaalsContact NZ-CG 3.3Å; K249-D253 IonicContact NZ-OD1 2.69Å; K249-D253 PolarHBondContact NZ-OD1 2.87Å; K249-D253 IonicContact NZ-OD2 3.53Å; K249-D253 PolarHBondContact NZ-OD2 2.83Å; K249-D253 WeakPolarHBondContact O-CB 3.44Å; K249-D253 PolarHBondContact O-N 3.24Å; L251-D253 PolarHBondContact O-N 2.55Å; D253-A256 PolarHBondContact O-N 3.02Å; D253-A257 PolarHBondContact O-N 3.18Å
254	E	97.7	Very high	97.5	Very high	62 Å²	62	54 Å²	54	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-48.7	177	-165.1	69.4	-145.1	0	0	112.1	I213 K216 D250 L251 K252 A256 A257 L258	I213-E254 HydrophobicContact CD1-CB 4.27Å; I213-E254 HydrophobicContact CD1-CG 3.29Å; K216-E254 HydrophobicContact CD-CB 4.25Å; K216-E254 HydrophobicContact CD-CG 4.37Å; K216-E254 IonicContact NZ-OE2 3.63Å; K216-E254 PolarHBondContact NZ-OE2 2.98Å; D250-E254 WeakPolarHBondContact O-CB 3.37Å; D250-E254 PolarHBondContact O-N 3.4Å; L251-E254 PolarHBondContact O-N 2.96Å; K252-E254 VanDerWaalsContact C-N 3.31Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; E254-A257 WeakPolarHBondContact O-CB 3.21Å; E254-A257 PolarHBondContact O-N 2.85Å; E254-A257 VanDerWaalsContact O-N 3.17Å; E254-L258 WeakPolarHBondContact O-CG 3.48Å; E254-L258 PolarHBondContact O-N 3.43Å; E254-L258 VanDerWaalsContact O-N 3.1Å
255	I	97.8	Very high	97.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-40.3	175.7	-62.4	-51.6	0	0	0	110.4	L251 A257 L258 V259 I300 L301 L304	L251-I255 HydrophobicContact CD1-CD1 4.25Å; L251-I255 HydrophobicContact CD1-CG1 4.04Å; L251-I255 HydrophobicContact CG-CG1 4.17Å; L251-I255 WeakPolarHBondContact O-CG1 3.26Å; L251-I255 PolarHBondContact O-N 3.12Å; I255-A257 VanDerWaalsContact C-N 3.29Å; I255-A257 PolarHBondContact O-N 3.03Å; I255-L258 HydrophobicContact CD1-CD1 4.09Å; I255-L258 PolarHBondContact O-N 2.92Å; I255-V259 HydrophobicContact CG2-CG2 4.09Å; I255-V259 VanDerWaalsContact O-CG2 3.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.49Å; I255-V259 PolarHBondContact O-N 2.7Å; I255-I300 HydrophobicContact CG2-CG2 4.19Å; I255-L301 HydrophobicContact CG1-CB 4.31Å; I255-L301 HydrophobicContact CG1-CD1 4.29Å; I255-L301 HydrophobicContact CG1-CG 4.2Å; I255-L301 HydrophobicContact CG2-CB 4.1Å; I255-L304 HydrophobicContact CD1-CD1 3.79Å
256	A	97.9	Very high	97	Very high	27 Å²	27	51.2 Å²	51.2	22%	0.223	25%	0.25	C	C	.	.	H	α-helix	trans	-58.6	-41.5	176.5	0	0	0	0	0	111.8	K252 D253 E254 V259 E260	K252-A256 VanDerWaalsContact O-CB 3.26Å; K252-A256 WeakPolarHBondContact O-CB 3.43Å; K252-A256 PolarHBondContact O-N 3.44Å; D253-A256 PolarHBondContact O-N 3.02Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; A256-V259 PolarHBondContact O-N 2.73Å; A256-E260 WeakPolarHBondContact O-CG 3.29Å; A256-E260 PolarHBondContact O-N 3.18Å
257	A	98.2	Very high	96.5	Very high	55 Å²	55	47.7 Å²	47.7	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-46.2	175	0	0	0	0	0	112.1	D253 E254 I255 V259 E260 E261	D253-A257 PolarHBondContact O-N 3.18Å; E254-A257 WeakPolarHBondContact O-CB 3.21Å; E254-A257 PolarHBondContact O-N 2.85Å; E254-A257 VanDerWaalsContact O-N 3.17Å; I255-A257 VanDerWaalsContact C-N 3.29Å; I255-A257 PolarHBondContact O-N 3.03Å; A257-V259 VanDerWaalsContact C-N 3.31Å; A257-V259 PolarHBondContact O-N 3Å; A257-E260 PolarHBondContact O-N 3.42Å; A257-E261 PolarHBondContact O-N 3.38Å
258	L	98.3	Very high	96.1	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-37.5	176.7	-61.7	175.6	0	0	0	112.5	L204 I206 L208 I213 E254 I255 E261 K262	L204-L258 HydrophobicContact CD2-CB 4.07Å; L204-L258 HydrophobicContact CD2-CD1 4.28Å; I206-L258 HydrophobicContact CG2-CD2 3.89Å; L208-L258 HydrophobicContact CB-CD1 4.23Å; L208-L258 HydrophobicContact CB-CD2 4.22Å; L208-L258 HydrophobicContact CD2-CD1 4.24Å; I213-L258 HydrophobicContact CD1-CD1 4.27Å; E254-L258 WeakPolarHBondContact O-CG 3.48Å; E254-L258 PolarHBondContact O-N 3.43Å; E254-L258 VanDerWaalsContact O-N 3.1Å; I255-L258 HydrophobicContact CD1-CD1 4.09Å; I255-L258 PolarHBondContact O-N 2.92Å; L258-E261 PolarHBondContact O-N 3.1Å; L258-K262 PolarHBondContact O-N 3.22Å
259	V	97.8	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.8	-36	177	-176	0	0	0	0	111.3	I255 A256 A257 K262 R263 I283 V296 I300	I255-V259 HydrophobicContact CG2-CG2 4.09Å; I255-V259 VanDerWaalsContact O-CG2 3.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.49Å; I255-V259 PolarHBondContact O-N 2.7Å; A256-V259 PolarHBondContact O-N 2.73Å; A257-V259 VanDerWaalsContact C-N 3.31Å; A257-V259 PolarHBondContact O-N 3Å; V259-K262 WeakPolarHBondContact O-CB 3.26Å; V259-K262 PolarHBondContact O-N 2.74Å; V259-R263 WeakPolarHBondContact O-CG 3.38Å; V259-R263 PolarHBondContact O-N 3.22Å; V259-I283 HydrophobicContact CG1-CD1 4.26Å; V259-V296 HydrophobicContact CG1-CG1 4.49Å; V259-I300 HydrophobicContact CB-CD1 4.38Å; V259-I300 HydrophobicContact CG1-CD1 3.78Å; V259-I300 HydrophobicContact CG2-CB 4.11Å; V259-I300 HydrophobicContact CG2-CD1 3.53Å; V259-I300 HydrophobicContact CG2-CG1 4.42Å; V259-I300 HydrophobicContact CG2-CG2 3.89Å
260	E	97.7	Very high	94.6	Very high	79 Å²	79	55.9 Å²	55.9	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-40.8	172.1	-69	-53	136.9	0	0	111.9	A256 A257 K262 R263 H264 K293	A256-E260 WeakPolarHBondContact O-CG 3.29Å; A256-E260 PolarHBondContact O-N 3.18Å; A257-E260 PolarHBondContact O-N 3.42Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.02Å; E260-R263 WeakPolarHBondContact O-CB 3.29Å; E260-R263 PolarHBondContact O-N 3.22Å; E260-R263 IonicContact OE1-CZ 3.7Å; E260-R263 IonicContact OE1-NE 3.54Å; E260-R263 IonicContact OE1-NH1 3.64Å; E260-R263 PolarHBondContact OE1-NH1 2.94Å; E260-H264 PolarHBondContact O-N 2.89Å; E260-K293 WeakPolarHBondContact OE1-CE 3.14Å; E260-K293 IonicContact OE1-NZ 4Å; E260-K293 PolarHBondContact OE1-NZ 3.19Å; E260-K293 IonicContact OE2-NZ 3.04Å
261	E	96.8	Very high	93.8	Very high	96 Å²	96	59.3 Å²	59.3	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-41.8	172.9	-169.2	-179.1	154.9	0	0	111.4	I206 A257 L258 R263 H264 K265	I206-E261 HydrophobicContact CD1-CG 4.32Å; I206-E261 HydrophobicContact CG2-CB 4.27Å; I206-E261 VanDerWaalsContact CG2-CD 3.49Å; I206-E261 HydrophobicContact CG2-CG 4.18Å; I206-E261 WeakPolarHBondContact CG2-OE2 3.47Å; A257-E261 PolarHBondContact O-N 3.38Å; L258-E261 PolarHBondContact O-N 3.1Å; E261-R263 PolarHBondContact O-N 3.12Å; E261-H264 WeakPolarHBondContact O-CB 3.42Å; E261-H264 PolarHBondContact O-N 3.42Å; E261-K265 PolarHBondContact O-N 3.04Å
262	K	96.1	Very high	92.7	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.013	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-43.4	173	-175.7	61.5	172.2	-164.3	0	112.4	L204 I206 L258 V259 E260 H264 K265 I266 D277 A279 T280 I283	L204-K262 HydrophobicContact CD1-CB 3.98Å; L204-K262 HydrophobicContact CD1-CD 4.41Å; L204-K262 HydrophobicContact CD1-CG 4.04Å; L204-K262 WeakPolarHBondContact O-CD 3.37Å; L204-K262 WeakPolarHBondContact O-CE 3.48Å; L204-K262 PolarHBondContact O-NZ 2.79Å; I206-K262 HydrophobicContact CD1-CB 4.15Å; I206-K262 HydrophobicContact CD1-CD 4.06Å; I206-K262 HydrophobicContact CG1-CB 3.99Å; I206-K262 HydrophobicContact CG1-CD 4.18Å; L258-K262 PolarHBondContact O-N 3.22Å; V259-K262 WeakPolarHBondContact O-CB 3.26Å; V259-K262 PolarHBondContact O-N 2.74Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.02Å; K262-H264 VanDerWaalsContact C-N 3.32Å; K262-H264 PolarHBondContact O-N 2.9Å; K262-K265 PolarHBondContact O-N 2.96Å; K262-I266 HydrophobicContact CD-CD1 4.24Å; K262-I266 HydrophobicContact CD-CG1 4.42Å; K262-I266 HydrophobicContact CG-CD1 3.93Å; K262-I266 WeakPolarHBondContact O-CD1 3.33Å; K262-I266 VanDerWaalsContact O-CG1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.39Å; K262-I266 PolarHBondContact O-N 3.13Å; K262-D277 WeakPolarHBondContact CE-OD1 3.41Å; K262-D277 IonicContact NZ-OD1 2.87Å; K262-D277 PolarHBondContact NZ-OD1 3.19Å; K262-D277 IonicContact NZ-OD2 3.21Å; K262-D277 PolarHBondContact NZ-OD2 3.06Å; K262-A279 HydrophobicContact CG-CB 4.13Å; K262-T280 WeakPolarHBondContact CE-OG1 3.38Å; K262-I283 HydrophobicContact CB-CD1 4.35Å; K262-I283 HydrophobicContact CG-CD1 3.82Å
263	R	94.9	Very high	91.5	Very high	27 Å²	27	68.7 Å²	68.7	10%	0.102	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-43.6	175.8	-74.8	177.8	177.9	100.1	12.3	111.1	V259 E260 E261 I266 S267 I283 E286 N297	V259-R263 WeakPolarHBondContact O-CG 3.38Å; V259-R263 PolarHBondContact O-N 3.22Å; E260-R263 WeakPolarHBondContact O-CB 3.29Å; E260-R263 PolarHBondContact O-N 3.22Å; E260-R263 IonicContact OE1-CZ 3.7Å; E260-R263 IonicContact OE1-NE 3.54Å; E260-R263 IonicContact OE1-NH1 3.64Å; E260-R263 PolarHBondContact OE1-NH1 2.94Å; E261-R263 PolarHBondContact O-N 3.12Å; R263-I266 PolarHBondContact O-N 3.12Å; R263-S267 PolarHBondContact O-N 3.28Å; R263-I283 HydrophobicContact CG-CD1 3.82Å; R263-I283 HydrophobicContact CG-CG1 4.2Å; R263-I283 HydrophobicContact CG-CG2 4.19Å; R263-E286 IonicContact CZ-OE2 3.61Å; R263-E286 IonicContact NE-OE2 3.97Å; R263-E286 PolarHBondContact NE-OE2 2.92Å; R263-E286 IonicContact NH2-OE1 2.72Å; R263-E286 IonicContact NH2-OE2 2.71Å; R263-E286 PolarHBondContact NH2-OE2 3.3Å; R263-N297 PolarHBondContact NH1-OD1 2.89Å; R263-N297 PolarHBondContact NH2-OD1 2.93Å; R263-N297 VanDerWaalsContact NH2-OD1 3.17Å
264	H	93.9	Very high	90.1	Very high	121 Å²	121	71 Å²	71	56%	0.56	37%	0.367	S	S	*	.	H	α-helix	trans	-61.5	-50.8	176.1	-179.2	-88.4	0	0	0	111.2	E260 E261 K262 I266 S267 T268	E260-H264 PolarHBondContact O-N 2.89Å; E261-H264 WeakPolarHBondContact O-CB 3.42Å; E261-H264 PolarHBondContact O-N 3.42Å; K262-H264 VanDerWaalsContact C-N 3.32Å; K262-H264 PolarHBondContact O-N 2.9Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact O-N 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.38Å; H264-S267 PolarHBondContact O-N 3.18Å; H264-S267 PolarHBondContact O-OG 3.5Å; H264-T268 PolarHBondContact O-N 3.36Å; H264-T268 VanDerWaalsContact O-N 3.17Å; H264-T268 PolarHBondContact O-OG1 3.29Å
265	K	92.6	Very high	88.8	Confident	93 Å²	93	69.3 Å²	69.3	40%	0.404	36%	0.361	S	S	.	.	H	α-helix	trans	-56.7	-40.5	177.6	-175.1	175.2	177.8	175.8	0	112.9	G205 I206 E261 K262 S267 T268 A269	G205-K265 PolarHBondContact O-NZ 2.91Å; G205-K265 VanDerWaalsContact O-NZ 3.12Å; I206-K265 HydrophobicContact CD1-CD 3.91Å; E261-K265 PolarHBondContact O-N 3.04Å; K262-K265 PolarHBondContact O-N 2.96Å; K265-S267 VanDerWaalsContact C-N 3.33Å; K265-T268 PolarHBondContact O-OG1 3.5Å; K265-A269 WeakPolarHBondContact O-CB 3.11Å; K265-A269 PolarHBondContact O-N 3.23Å
266	I	92.3	Very high	88.2	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-36.4	175.5	-68.1	163.4	0	0	0	111.4	K262 R263 H264 T268 L272 T280 I283 F284	K262-I266 HydrophobicContact CD-CD1 4.24Å; K262-I266 HydrophobicContact CD-CG1 4.42Å; K262-I266 HydrophobicContact CG-CD1 3.93Å; K262-I266 WeakPolarHBondContact O-CD1 3.33Å; K262-I266 VanDerWaalsContact O-CG1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.39Å; K262-I266 PolarHBondContact O-N 3.13Å; R263-I266 PolarHBondContact O-N 3.12Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact O-N 3.3Å; I266-T268 VanDerWaalsContact C-N 3.33Å; I266-L272 HydrophobicContact CG2-CD2 4.06Å; I266-T280 HydrophobicContact CD1-CG2 4.03Å; I266-T280 HydrophobicContact CG1-CG2 4.34Å; I266-I283 HydrophobicContact CD1-CB 4.28Å; I266-I283 HydrophobicContact CD1-CD1 3.59Å; I266-I283 HydrophobicContact CD1-CG2 4.21Å; I266-F284 HydrophobicContact CG2-CE1 3.72Å; I266-F284 HydrophobicContact CG2-CZ 3.8Å
267	S	88.8	Confident	88	Confident	76 Å²	76	72.7 Å²	72.7	53%	0.531	37%	0.374	S	S	.	.	H	α-helix	trans	-71.9	-25.8	-178.1	73.2	0	0	0	0	113.8	R263 H264 K265	R263-S267 PolarHBondContact O-N 3.28Å; H264-S267 WeakPolarHBondContact O-CB 3.38Å; H264-S267 PolarHBondContact O-N 3.18Å; H264-S267 PolarHBondContact O-OG 3.5Å; K265-S267 VanDerWaalsContact C-N 3.33Å
268	T	89	Confident	88	Confident	89 Å²	89	70.2 Å²	70.2	55%	0.546	35%	0.353	S	S	.	.	H	α-helix	trans	-103.3	-0.3	-178.7	59.2	0	0	0	0	113.6	H264 K265 I266 E270	H264-T268 PolarHBondContact O-N 3.36Å; H264-T268 VanDerWaalsContact O-N 3.17Å; H264-T268 PolarHBondContact O-OG1 3.29Å; K265-T268 PolarHBondContact O-OG1 3.5Å; I266-T268 VanDerWaalsContact C-N 3.33Å; T268-E270 PolarHBondContact O-N 3.45Å
269	A	86.1	Confident	88	Confident	28 Å²	28	69.7 Å²	69.7	23%	0.231	35%	0.351	C	S	.	.			trans	-70.4	125.7	-177.8	0	0	0	0	0	111.8	K265 K271	K265-A269 WeakPolarHBondContact O-CB 3.11Å; K265-A269 PolarHBondContact O-N 3.23Å; A269-K271 VanDerWaalsContact C-N 3.3Å; A269-K271 PolarHBondContact O-N 3.48Å
270	E	77.9	Confident	88	Confident	196 Å²	196	69.7 Å²	69.7	92%	0.916	35%	0.351	S	S	*	.	S	Bend	trans	-66.6	-33.2	174.4	-65.1	-176.6	174.3	0	0	112.2	T268	T268-E270 PolarHBondContact O-N 3.45Å
271	K	80.9	Confident	87.9	Confident	140 Å²	140	67 Å²	67	61%	0.609	34%	0.339	S	S	*	.			trans	-129.6	107.6	178.3	-66	-178.2	-175.3	176.7	0	110.4	A269 E273 D274	A269-K271 VanDerWaalsContact C-N 3.3Å; A269-K271 PolarHBondContact O-N 3.48Å; K271-E273 VanDerWaalsContact C-N 3.27Å; K271-E273 PolarHBondContact O-N 3.43Å; K271-D274 WeakPolarHBondContact CB-OD2 3.16Å; K271-D274 WeakPolarHBondContact CD-OD2 3.33Å; K271-D274 PolarHBondContact O-N 2.81Å
272	L	76.6	Confident	88	Confident	83 Å²	83	62.5 Å²	62.5	44%	0.435	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.7	-29.7	179.5	-81.4	142.3	0	0	0	113	I266 D274 C275 M276 F284	I266-L272 HydrophobicContact CG2-CD2 4.06Å; L272-D274 VanDerWaalsContact C-N 3.28Å; L272-D274 PolarHBondContact O-N 3.23Å; L272-C275 PolarHBondContact O-N 2.76Å; L272-M276 WeakPolarHBondContact O-CG 3.36Å; L272-F284 HydrophobicContact CD2-CE1 4.06Å; L272-F284 HydrophobicContact CD2-CE2 4.27Å; L272-F284 HydrophobicContact CD2-CZ 3.36Å
273	E	71.6	Confident	88	Confident	171 Å²	171	62.4 Å²	62.4	80%	0.799	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-61.4	-35	-179.9	-65.8	178.3	177.3	0	0	112.5	K271 C275	K271-E273 VanDerWaalsContact C-N 3.27Å; K271-E273 PolarHBondContact O-N 3.43Å; E273-C275 PolarHBondContact O-N 3.23Å
274	D	69.4	Low	88.1	Confident	126 Å²	126	63 Å²	63	67%	0.674	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-73.9	-12.4	-178.7	-63.8	-28.3	0	0	0	112.9	K271 L272	K271-D274 WeakPolarHBondContact CB-OD2 3.16Å; K271-D274 WeakPolarHBondContact CD-OD2 3.33Å; K271-D274 PolarHBondContact O-N 2.81Å; L272-D274 VanDerWaalsContact C-N 3.28Å; L272-D274 PolarHBondContact O-N 3.23Å
275	C	69.6	Low	88.2	Confident	26 Å²	26	57.3 Å²	57.3	18%	0.176	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-111.8	10.5	-176.5	-62.1	0	0	0	0	113.3	L272 E273 D277 T280	L272-C275 PolarHBondContact O-N 2.76Å; E273-C275 PolarHBondContact O-N 3.23Å; C275-D277 PolarHBondContact O-N 2.6Å; C275-T280 WeakPolarHBondContact O-CB 3.37Å; C275-T280 PolarHBondContact O-OG1 2.97Å
276	M	85.8	Confident	88.4	Confident	79 Å²	79	55 Å²	55	39%	0.389	29%	0.285	S	S	.	.			trans	-74.6	107.1	-176.5	-68.7	-58.4	-62.2	0	0	111.8	L272 T280 D281 F284	L272-M276 WeakPolarHBondContact O-CG 3.36Å; M276-T280 HydrophobicContact CE-CG2 4.49Å; M276-T280 HydrophobicContact SD-CG2 3.76Å; M276-D281 WeakPolarHBondContact CE-OD1 3.38Å; M276-F284 HydrophobicContact CE-CD2 4.47Å; M276-F284 HydrophobicContact CE-CE2 4.35Å; M276-F284 HydrophobicContact SD-CD2 4.45Å; M276-F284 HydrophobicContact SD-CE2 3.78Å
277	D	94.7	Very high	88.6	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.123	31%	0.309	C	S	.	.	S	Bend	trans	-141.5	-175	173	56.1	44.2	0	0	0	110.5	K262 C275 A279 T280 D281	K262-D277 WeakPolarHBondContact CE-OD1 3.41Å; K262-D277 IonicContact NZ-OD1 2.87Å; K262-D277 PolarHBondContact NZ-OD1 3.19Å; K262-D277 IonicContact NZ-OD2 3.21Å; K262-D277 PolarHBondContact NZ-OD2 3.06Å; C275-D277 PolarHBondContact O-N 2.6Å; D277-A279 PolarHBondContact O-N 2.74Å; D277-A279 PolarHBondContact OD1-N 2.77Å; D277-A279 VanDerWaalsContact OD1-N 3.16Å; D277-T280 PolarHBondContact O-N 2.97Å; D277-T280 PolarHBondContact OD1-N 2.96Å; D277-T280 PolarHBondContact OD1-OG1 2.94Å; D277-T280 VanDerWaalsContact OD1-OG1 3.12Å; D277-D281 PolarHBondContact O-N 2.77Å
278	F	97.8	Very high	88.9	Confident	3 Å²	3	65 Å²	65	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-45.7	-178.4	174.3	-107.6	0	0	0	112.9	F147 F148 A151 F203 D281 L282 C299 I300 M303	F147-F278 HydrophobicContact CB-CE2 4.06Å; F148-F278 HydrophobicContact CD1-CE2 4.21Å; F148-F278 HydrophobicContact CD1-CZ 4.02Å; F148-F278 AromaticContact CD2-CE2 3.95Å; F148-F278 HydrophobicContact CD2-CE2 3.95Å; F148-F278 AromaticContact CD2-CZ 3.98Å; F148-F278 HydrophobicContact CD2-CZ 3.98Å; F148-F278 HydrophobicContact CE1-CE2 4.41Å; F148-F278 AromaticContact CE1-CZ 3.77Å; F148-F278 HydrophobicContact CE1-CZ 3.77Å; F148-F278 HydrophobicContact CE2-CE2 4.17Å; F148-F278 AromaticContact CE2-CZ 3.73Å; F148-F278 HydrophobicContact CE2-CZ 3.73Å; F148-F278 AromaticContact CG-CE2 3.98Å; F148-F278 HydrophobicContact CG-CE2 3.98Å; F148-F278 HydrophobicContact CG-CZ 4.12Å; F148-F278 HydrophobicContact CZ-CE1 4.49Å; F148-F278 HydrophobicContact CZ-CE2 4.4Å; F148-F278 AromaticContact CZ-CZ 3.62Å; F148-F278 HydrophobicContact CZ-CZ 3.62Å; A151-F278 HydrophobicContact CB-CB 3.79Å; A151-F278 HydrophobicContact CB-CD2 3.66Å; A151-F278 HydrophobicContact CB-CG 4.09Å; F203-F278 HydrophobicContact CB-CB 3.97Å; F203-F278 HydrophobicContact CB-CD1 4.29Å; F203-F278 HydrophobicContact CD1-CB 3.95Å; F203-F278 HydrophobicContact CG-CB 4.38Å; F278-D281 PolarHBondContact O-N 3.12Å; F278-L282 HydrophobicContact CD1-CD1 4.05Å; F278-L282 HydrophobicContact CD2-CD1 4.42Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE2-CD1 3.92Å; F278-L282 HydrophobicContact CE2-CG 4.29Å; F278-L282 HydrophobicContact CG-CD1 4.5Å; F278-L282 HydrophobicContact CZ-CD1 3.44Å; F278-L282 VanDerWaalsContact CZ-CD1 3.44Å; F278-L282 HydrophobicContact CZ-CG 4.28Å; F278-L282 WeakPolarHBondContact O-CG 3.4Å; F278-L282 PolarHBondContact O-N 2.77Å; F278-L282 VanDerWaalsContact O-N 3.17Å; F278-C299 HydrophobicContact CZ-CB 4.17Å; F278-I300 HydrophobicContact CE1-CG1 4.3Å; F278-M303 HydrophobicContact CD1-CB 4.02Å; F278-M303 HydrophobicContact CD1-CE 3.93Å; F278-M303 HydrophobicContact CD1-CG 3.97Å; F278-M303 HydrophobicContact CD2-CE 3.74Å; F278-M303 HydrophobicContact CE1-CB 3.56Å; F278-M303 HydrophobicContact CE1-CE 3.82Å; F278-M303 HydrophobicContact CE1-CG 3.97Å; F278-M303 HydrophobicContact CE2-CE 3.63Å; F278-M303 HydrophobicContact CG-CE 3.87Å; F278-M303 HydrophobicContact CZ-CB 4.25Å; F278-M303 HydrophobicContact CZ-CE 3.65Å
279	A	97.9	Very high	89.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-42.4	178.5	0	0	0	0	0	111.4	F203 L204 K262 D277 L282 I283 I300	F203-A279 WeakPolarHBondContact O-CB 3.45Å; F203-A279 PolarHBondContact O-N 2.76Å; L204-A279 HydrophobicContact CD1-CB 3.78Å; K262-A279 HydrophobicContact CG-CB 4.13Å; D277-A279 PolarHBondContact O-N 2.74Å; D277-A279 PolarHBondContact OD1-N 2.77Å; D277-A279 VanDerWaalsContact OD1-N 3.16Å; A279-L282 PolarHBondContact O-N 2.87Å; A279-I283 WeakPolarHBondContact O-CD1 3.49Å; A279-I283 VanDerWaalsContact O-CG1 3.26Å; A279-I283 WeakPolarHBondContact O-CG1 3.26Å; A279-I283 PolarHBondContact O-N 3.24Å; A279-I300 HydrophobicContact CB-CD1 3.69Å; A279-I300 HydrophobicContact CB-CG1 4.15Å
280	T	96.8	Very high	89.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.7	-60.6	0	0	0	0	112.1	K262 I266 C275 M276 D277 L282 I283 F284	K262-T280 WeakPolarHBondContact CE-OG1 3.38Å; I266-T280 HydrophobicContact CD1-CG2 4.03Å; I266-T280 HydrophobicContact CG1-CG2 4.34Å; C275-T280 WeakPolarHBondContact O-CB 3.37Å; C275-T280 PolarHBondContact O-OG1 2.97Å; M276-T280 HydrophobicContact CE-CG2 4.49Å; M276-T280 HydrophobicContact SD-CG2 3.76Å; D277-T280 PolarHBondContact O-N 2.97Å; D277-T280 PolarHBondContact OD1-N 2.96Å; D277-T280 PolarHBondContact OD1-OG1 2.94Å; D277-T280 VanDerWaalsContact OD1-OG1 3.12Å; T280-L282 VanDerWaalsContact C-N 3.32Å; T280-L282 PolarHBondContact O-N 3.39Å; T280-I283 PolarHBondContact O-N 3.35Å; T280-F284 HydrophobicContact CG2-CD2 3.92Å; T280-F284 HydrophobicContact CG2-CE2 3.26Å; T280-F284 HydrophobicContact CG2-CZ 3.61Å; T280-F284 WeakPolarHBondContact O-CD2 3.35Å; T280-F284 PolarHBondContact O-N 2.79Å
281	D	96.6	Very high	90.6	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-43.1	176.9	-86.8	-25	0	0	0	112	F147 K150 M276 D277 F278 A285	F147-D281 HydrophobicContact CD1-CB 4.12Å; F147-D281 HydrophobicContact CE1-CB 4.46Å; K150-D281 WeakPolarHBondContact CE-OD2 3.49Å; K150-D281 VanDerWaalsContact NZ-CG 3.26Å; K150-D281 IonicContact NZ-OD1 3.89Å; K150-D281 PolarHBondContact NZ-OD1 3.26Å; K150-D281 IonicContact NZ-OD2 3.74Å; K150-D281 PolarHBondContact NZ-OD2 3.33Å; M276-D281 WeakPolarHBondContact CE-OD1 3.38Å; D277-D281 PolarHBondContact O-N 2.77Å; F278-D281 PolarHBondContact O-N 3.12Å; D281-A285 PolarHBondContact O-N 3.45Å; D281-A285 VanDerWaalsContact O-N 3.12Å
282	L	98.1	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-43.1	177.8	-72	173.8	0	0	0	112.4	F147 F278 A279 T280 F284 A285 E286 L291 V296 C299 I300	F147-L282 HydrophobicContact CB-CD2 3.84Å; F147-L282 HydrophobicContact CD1-CD2 3.89Å; F147-L282 HydrophobicContact CD1-CG 4.45Å; F147-L282 HydrophobicContact CD2-CD2 4.09Å; F147-L282 HydrophobicContact CE1-CD2 4.5Å; F147-L282 HydrophobicContact CG-CD2 3.67Å; F278-L282 HydrophobicContact CD1-CD1 4.05Å; F278-L282 HydrophobicContact CD2-CD1 4.42Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE2-CD1 3.92Å; F278-L282 HydrophobicContact CE2-CG 4.29Å; F278-L282 HydrophobicContact CG-CD1 4.5Å; F278-L282 HydrophobicContact CZ-CD1 3.44Å; F278-L282 VanDerWaalsContact CZ-CD1 3.44Å; F278-L282 HydrophobicContact CZ-CG 4.28Å; F278-L282 WeakPolarHBondContact O-CG 3.4Å; F278-L282 PolarHBondContact O-N 2.77Å; F278-L282 VanDerWaalsContact O-N 3.17Å; A279-L282 PolarHBondContact O-N 2.87Å; T280-L282 VanDerWaalsContact C-N 3.32Å; T280-L282 PolarHBondContact O-N 3.39Å; L282-F284 VanDerWaalsContact C-N 3.28Å; L282-F284 PolarHBondContact O-N 2.98Å; L282-A285 WeakPolarHBondContact O-CB 3.35Å; L282-A285 PolarHBondContact O-N 3.04Å; L282-A285 VanDerWaalsContact O-N 3.15Å; L282-E286 PolarHBondContact O-N 3.12Å; L282-L291 HydrophobicContact CD2-CD1 3.5Å; L282-V296 HydrophobicContact CB-CB 4.48Å; L282-V296 HydrophobicContact CB-CG1 3.95Å; L282-V296 HydrophobicContact CB-CG2 4.06Å; L282-V296 WeakPolarHBondContact O-CG2 3.43Å; L282-C299 HydrophobicContact CD1-CB 3.54Å; L282-C299 HydrophobicContact CD2-CB 4.36Å; L282-I300 HydrophobicContact CD1-CG1 3.84Å
283	I	97.6	Very high	92.4	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-36.5	178	-70.9	164.3	0	0	0	110.7	V259 K262 R263 I266 A279 T280 E286 R287 V296	V259-I283 HydrophobicContact CG1-CD1 4.26Å; K262-I283 HydrophobicContact CB-CD1 4.35Å; K262-I283 HydrophobicContact CG-CD1 3.82Å; R263-I283 HydrophobicContact CG-CD1 3.82Å; R263-I283 HydrophobicContact CG-CG1 4.2Å; R263-I283 HydrophobicContact CG-CG2 4.19Å; I266-I283 HydrophobicContact CD1-CB 4.28Å; I266-I283 HydrophobicContact CD1-CD1 3.59Å; I266-I283 HydrophobicContact CD1-CG2 4.21Å; A279-I283 WeakPolarHBondContact O-CD1 3.49Å; A279-I283 VanDerWaalsContact O-CG1 3.26Å; A279-I283 WeakPolarHBondContact O-CG1 3.26Å; A279-I283 PolarHBondContact O-N 3.24Å; T280-I283 PolarHBondContact O-N 3.35Å; I283-E286 WeakPolarHBondContact O-CB 3.31Å; I283-E286 PolarHBondContact O-N 3.13Å; I283-R287 WeakPolarHBondContact O-CG 3.41Å; I283-R287 PolarHBondContact O-N 3.41Å; I283-V296 HydrophobicContact CG1-CG1 4.1Å
284	F	95.8	Very high	93.6	Very high	41 Å²	41	52 Å²	52	18%	0.18	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-36	173.4	-67.1	-34	0	0	0	113.3	I266 L272 M276 T280 L282 E286 R287 R288	I266-F284 HydrophobicContact CG2-CE1 3.72Å; I266-F284 HydrophobicContact CG2-CZ 3.8Å; L272-F284 HydrophobicContact CD2-CE1 4.06Å; L272-F284 HydrophobicContact CD2-CE2 4.27Å; L272-F284 HydrophobicContact CD2-CZ 3.36Å; M276-F284 HydrophobicContact CE-CD2 4.47Å; M276-F284 HydrophobicContact CE-CE2 4.35Å; M276-F284 HydrophobicContact SD-CD2 4.45Å; M276-F284 HydrophobicContact SD-CE2 3.78Å; T280-F284 HydrophobicContact CG2-CD2 3.92Å; T280-F284 HydrophobicContact CG2-CE2 3.26Å; T280-F284 HydrophobicContact CG2-CZ 3.61Å; T280-F284 WeakPolarHBondContact O-CD2 3.35Å; T280-F284 PolarHBondContact O-N 2.79Å; L282-F284 VanDerWaalsContact C-N 3.28Å; L282-F284 PolarHBondContact O-N 2.98Å; F284-E286 VanDerWaalsContact C-N 3.3Å; F284-R287 PolarHBondContact O-N 3.5Å; F284-R288 WeakPolarHBondContact O-CG 3.38Å; F284-R288 PolarHBondContact O-N 3.3Å; F284-R288 VanDerWaalsContact O-N 3.07Å; F284-R288 PolarHBondContact O-NH1 2.99Å
285	A	96.8	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-40	172.4	0	0	0	0	0	111.7	F147 D281 L282 R288 G289 D290 L291	F147-A285 HydrophobicContact CE1-CB 3.77Å; F147-A285 HydrophobicContact CE2-CB 4.38Å; F147-A285 HydrophobicContact CZ-CB 3.43Å; F147-A285 VanDerWaalsContact CZ-CB 3.43Å; D281-A285 PolarHBondContact O-N 3.45Å; D281-A285 VanDerWaalsContact O-N 3.12Å; L282-A285 WeakPolarHBondContact O-CB 3.35Å; L282-A285 PolarHBondContact O-N 3.04Å; L282-A285 VanDerWaalsContact O-N 3.15Å; A285-R288 PolarHBondContact O-N 2.88Å; A285-G289 PolarHBondContact O-N 3.49Å; A285-D290 HydrophobicContact CB-CB 4.11Å; A285-D290 WeakPolarHBondContact O-CB 3.24Å; A285-D290 PolarHBondContact O-N 2.98Å; A285-L291 HydrophobicContact CB-CB 4.45Å; A285-L291 HydrophobicContact CB-CD1 3.81Å; A285-L291 HydrophobicContact CB-CG 3.97Å; A285-L291 PolarHBondContact O-N 3.44Å
286	E	96.9	Very high	96.3	Very high	44 Å²	44	45.2 Å²	45.2	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-48.2	171.1	176.3	-171.8	-175.1	0	0	112	R263 L282 I283 F284 R288 G289 L291 K293 V296	R263-E286 IonicContact CZ-OE2 3.61Å; R263-E286 IonicContact NE-OE2 3.97Å; R263-E286 PolarHBondContact NE-OE2 2.92Å; R263-E286 IonicContact NH2-OE1 2.72Å; R263-E286 IonicContact NH2-OE2 2.71Å; R263-E286 PolarHBondContact NH2-OE2 3.3Å; L282-E286 PolarHBondContact O-N 3.12Å; I283-E286 WeakPolarHBondContact O-CB 3.31Å; I283-E286 PolarHBondContact O-N 3.13Å; F284-E286 VanDerWaalsContact C-N 3.3Å; E286-R288 PolarHBondContact O-N 2.77Å; E286-G289 PolarHBondContact O-N 3.46Å; E286-L291 WeakPolarHBondContact CA-O 3.35Å; E286-K293 WeakPolarHBondContact OE1-CA 3.21Å; E286-K293 VanDerWaalsContact OE1-CB 3.24Å; E286-K293 WeakPolarHBondContact OE1-CB 3.48Å; E286-K293 WeakPolarHBondContact OE1-CG 3.39Å; E286-V296 HydrophobicContact CB-CG2 3.77Å; E286-V296 HydrophobicContact CG-CG2 4.5Å
287	R	95.3	Very high	96.9	Very high	141 Å²	141	42.9 Å²	42.9	53%	0.532	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-28.6	178.9	-71.1	179.8	-172.8	-179.9	1.2	113.7	I283 F284 G289	I283-R287 WeakPolarHBondContact O-CG 3.41Å; I283-R287 PolarHBondContact O-N 3.41Å; F284-R287 PolarHBondContact O-N 3.5Å; R287-G289 VanDerWaalsContact C-N 3.3Å
288	R	96.1	Very high	97	Very high	152 Å²	152	42.2 Å²	42.2	57%	0.574	21%	0.209	S	C	*	.	H	α-helix	trans	-80.8	-9.9	174.2	-68.6	-170.7	-53.1	-89.7	-1.9	113.5	F284 A285 E286 D290	F284-R288 WeakPolarHBondContact O-CG 3.38Å; F284-R288 PolarHBondContact O-N 3.3Å; F284-R288 VanDerWaalsContact O-N 3.07Å; F284-R288 PolarHBondContact O-NH1 2.99Å; A285-R288 PolarHBondContact O-N 2.88Å; E286-R288 PolarHBondContact O-N 2.77Å; R288-D290 IonicContact CZ-OD2 2.79Å; R288-D290 VanDerWaalsContact CZ-OD2 3.27Å; R288-D290 IonicContact NE-OD2 3.54Å; R288-D290 PolarHBondContact NE-OD2 3.31Å; R288-D290 IonicContact NH2-OD2 2.62Å; R288-D290 PolarHBondContact NH2-OD2 3.38Å
289	G	95.5	Very high	97.1	Very high	63 Å²	63	42.1 Å²	42.1	65%	0.649	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	10	-173.7	0	0	0	0	0	114.3	A285 E286 R287	A285-G289 PolarHBondContact O-N 3.49Å; E286-G289 PolarHBondContact O-N 3.46Å; R287-G289 VanDerWaalsContact C-N 3.3Å
290	D	95.4	Very high	97.1	Very high	85 Å²	85	42.2 Å²	42.2	46%	0.455	21%	0.209	S	C	.	.	S	Bend	trans	-73.9	-29.8	178.4	-58.6	-28.9	0	0	0	111.6	A285 R288	A285-D290 HydrophobicContact CB-CB 4.11Å; A285-D290 WeakPolarHBondContact O-CB 3.24Å; A285-D290 PolarHBondContact O-N 2.98Å; R288-D290 IonicContact CZ-OD2 2.79Å; R288-D290 VanDerWaalsContact CZ-OD2 3.27Å; R288-D290 IonicContact NE-OD2 3.54Å; R288-D290 PolarHBondContact NE-OD2 3.31Å; R288-D290 IonicContact NH2-OD2 2.62Å; R288-D290 PolarHBondContact NH2-OD2 3.38Å
291	L	97.3	Very high	97.2	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	21%	0.21	C	C	.	.	S	Bend	trans	-133.3	152.4	-178.5	-64.4	-179	0	0	0	111.3	I144 F147 L282 A285 E286 V296	I144-L291 HydrophobicContact CD1-CD2 4.47Å; I144-L291 HydrophobicContact CG1-CD2 3.72Å; F147-L291 HydrophobicContact CD2-CD1 4.35Å; F147-L291 HydrophobicContact CE2-CD1 3.97Å; F147-L291 HydrophobicContact CZ-CD1 4.25Å; L282-L291 HydrophobicContact CD2-CD1 3.5Å; A285-L291 HydrophobicContact CB-CB 4.45Å; A285-L291 HydrophobicContact CB-CD1 3.81Å; A285-L291 HydrophobicContact CB-CG 3.97Å; A285-L291 PolarHBondContact O-N 3.44Å; E286-L291 WeakPolarHBondContact CA-O 3.35Å; L291-V296 HydrophobicContact CB-CG2 4.12Å; L291-V296 HydrophobicContact CD1-CG2 4.28Å
292	T	97.8	Very high	97.3	Very high	66 Å²	66	41.3 Å²	41.3	41%	0.405	21%	0.205	S	C	.	.			trans	-85.1	158.3	171.1	68.7	0	0	0	0	111.4	E294 N295 V296	T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 PolarHBondContact O-N 3.25Å; T292-N295 WeakPolarHBondContact O-CB 3.39Å; T292-N295 PolarHBondContact O-N 3.44Å; T292-N295 VanDerWaalsContact O-N 3.11Å; T292-N295 WeakPolarHBondContact OG1-CB 3.35Å; T292-N295 PolarHBondContact OG1-N 2.86Å; T292-N295 PolarHBondContact OG1-ND2 3.11Å; T292-V296 PolarHBondContact O-N 2.95Å
293	K	97.1	Very high	97.4	Very high	88 Å²	88	41.8 Å²	41.8	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-55.6	-43.2	174.7	-175.4	169.5	-179	166	0	112.1	E260 E286 N295 V296 N297	E260-K293 WeakPolarHBondContact OE1-CE 3.14Å; E260-K293 IonicContact OE1-NZ 4Å; E260-K293 PolarHBondContact OE1-NZ 3.19Å; E260-K293 IonicContact OE2-NZ 3.04Å; E286-K293 WeakPolarHBondContact OE1-CA 3.21Å; E286-K293 VanDerWaalsContact OE1-CB 3.24Å; E286-K293 WeakPolarHBondContact OE1-CB 3.48Å; E286-K293 WeakPolarHBondContact OE1-CG 3.39Å; K293-N295 VanDerWaalsContact C-N 3.32Å; K293-N295 PolarHBondContact O-N 3.36Å; K293-V296 PolarHBondContact O-N 2.68Å; K293-N297 PolarHBondContact O-N 3.41Å; K293-N297 PolarHBondContact O-OD1 3.37Å
294	E	96.7	Very high	97.4	Very high	122 Å²	122	41.8 Å²	41.8	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-62.3	-41	178	-64	73.4	-160.1	0	0	111.3	T292 Q298	T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 PolarHBondContact O-N 3.25Å; E294-Q298 WeakPolarHBondContact O-CB 3.19Å; E294-Q298 PolarHBondContact O-N 3.09Å
295	N	97.2	Very high	97.5	Very high	9 Å²	9	40 Å²	40	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-46.1	176.2	-90.4	-59.9	0	0	0	111.5	N130 I144 T292 K293 Q298 C299	N130-N295 WeakPolarHBondContact CA-OD1 3.36Å; N130-N295 VanDerWaalsContact OD1-CG 3.3Å; N130-N295 PolarHBondContact OD1-ND2 3.38Å; N130-N295 PolarHBondContact OD1-OD1 3.41Å; I144-N295 HydrophobicContact CD1-CB 4.45Å; I144-N295 WeakPolarHBondContact CD1-OD1 3.27Å; T292-N295 WeakPolarHBondContact O-CB 3.39Å; T292-N295 PolarHBondContact O-N 3.44Å; T292-N295 VanDerWaalsContact O-N 3.11Å; T292-N295 WeakPolarHBondContact OG1-CB 3.35Å; T292-N295 PolarHBondContact OG1-N 2.86Å; T292-N295 PolarHBondContact OG1-ND2 3.11Å; K293-N295 VanDerWaalsContact C-N 3.32Å; K293-N295 PolarHBondContact O-N 3.36Å; N295-Q298 PolarHBondContact O-N 2.98Å; N295-C299 WeakPolarHBondContact O-CB 3.42Å; N295-C299 PolarHBondContact O-N 3.27Å; N295-C299 PolarHBondContact O-SG 3.46Å
296	V	98.4	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-50.9	177	170	0	0	0	0	111	V259 L282 I283 E286 L291 T292 K293 Q298 C299 I300	V259-V296 HydrophobicContact CG1-CG1 4.49Å; L282-V296 HydrophobicContact CB-CB 4.48Å; L282-V296 HydrophobicContact CB-CG1 3.95Å; L282-V296 HydrophobicContact CB-CG2 4.06Å; L282-V296 WeakPolarHBondContact O-CG2 3.43Å; I283-V296 HydrophobicContact CG1-CG1 4.1Å; E286-V296 HydrophobicContact CB-CG2 3.77Å; E286-V296 HydrophobicContact CG-CG2 4.5Å; L291-V296 HydrophobicContact CB-CG2 4.12Å; L291-V296 HydrophobicContact CD1-CG2 4.28Å; T292-V296 PolarHBondContact O-N 2.95Å; K293-V296 PolarHBondContact O-N 2.68Å; V296-Q298 VanDerWaalsContact C-N 3.34Å; V296-Q298 PolarHBondContact O-N 2.98Å; V296-C299 PolarHBondContact O-N 2.97Å; V296-I300 HydrophobicContact CG1-CD1 3.87Å; V296-I300 WeakPolarHBondContact O-CG1 3.23Å; V296-I300 PolarHBondContact O-N 3.09Å
297	N	98.3	Very high	97.7	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-43.1	-179.2	-70.6	7.4	0	0	0	111.5	R263 K293 I300 L301	R263-N297 PolarHBondContact NH1-OD1 2.89Å; R263-N297 PolarHBondContact NH2-OD1 2.93Å; R263-N297 VanDerWaalsContact NH2-OD1 3.17Å; K293-N297 PolarHBondContact O-N 3.41Å; K293-N297 PolarHBondContact O-OD1 3.37Å; N297-I300 PolarHBondContact O-N 3.38Å; N297-L301 WeakPolarHBondContact O-CB 3.36Å; N297-L301 PolarHBondContact O-N 2.82Å
298	Q	98.7	Very high	97.8	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-37.5	176.8	-176.9	63.1	31.5	0	0	112.1	G126 N130 Y220 E294 N295 V296 L301 E302	G126-Q298 VanDerWaalsContact O-CD 3.31Å; G126-Q298 WeakPolarHBondContact O-CG 3.39Å; G126-Q298 PolarHBondContact O-OE1 3.16Å; N130-Q298 HydrophobicContact CB-CB 4.15Å; N130-Q298 HydrophobicContact CB-CG 3.9Å; Y220-Q298 PolarHBondContact OH-NE2 2.94Å; E294-Q298 WeakPolarHBondContact O-CB 3.19Å; E294-Q298 PolarHBondContact O-N 3.09Å; N295-Q298 PolarHBondContact O-N 2.98Å; V296-Q298 VanDerWaalsContact C-N 3.34Å; V296-Q298 PolarHBondContact O-N 2.98Å; Q298-L301 PolarHBondContact O-N 2.69Å; Q298-E302 HydrophobicContact CG-CG 4.48Å; Q298-E302 PolarHBondContact NE2-OE1 3.43Å; Q298-E302 VanDerWaalsContact NE2-OE1 3.15Å; Q298-E302 WeakPolarHBondContact O-CB 3.39Å; Q298-E302 WeakPolarHBondContact O-CG 3.23Å; Q298-E302 PolarHBondContact O-N 2.9Å
299	C	98.9	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-41.7	177.9	-70.2	0	0	0	0	112.3	I144 F148 F278 L282 N295 V296 E302 M303	I144-C299 WeakPolarHBondContact CG2-SG 3.42Å; F148-C299 HydrophobicContact CE2-CB 3.9Å; F148-C299 HydrophobicContact CZ-CB 3.93Å; F148-C299 WeakPolarHBondContact CZ-O 3.3Å; F278-C299 HydrophobicContact CZ-CB 4.17Å; L282-C299 HydrophobicContact CD1-CB 3.54Å; L282-C299 HydrophobicContact CD2-CB 4.36Å; N295-C299 WeakPolarHBondContact O-CB 3.42Å; N295-C299 PolarHBondContact O-N 3.27Å; N295-C299 PolarHBondContact O-SG 3.46Å; V296-C299 PolarHBondContact O-N 2.97Å; C299-E302 PolarHBondContact O-N 3.45Å; C299-M303 PolarHBondContact O-N 3.49Å
300	I	98.8	Very high	98	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-43.3	176.6	-65.5	169.3	0	0	0	110.2	L204 I255 V259 F278 A279 L282 V296 N297 E302 M303 L304	L204-I300 HydrophobicContact CD1-CG2 4.33Å; L204-I300 HydrophobicContact CD2-CG2 4.49Å; I255-I300 HydrophobicContact CG2-CG2 4.19Å; V259-I300 HydrophobicContact CB-CD1 4.38Å; V259-I300 HydrophobicContact CG1-CD1 3.78Å; V259-I300 HydrophobicContact CG2-CB 4.11Å; V259-I300 HydrophobicContact CG2-CD1 3.53Å; V259-I300 HydrophobicContact CG2-CG1 4.42Å; V259-I300 HydrophobicContact CG2-CG2 3.89Å; F278-I300 HydrophobicContact CE1-CG1 4.3Å; A279-I300 HydrophobicContact CB-CD1 3.69Å; A279-I300 HydrophobicContact CB-CG1 4.15Å; L282-I300 HydrophobicContact CD1-CG1 3.84Å; V296-I300 HydrophobicContact CG1-CD1 3.87Å; V296-I300 WeakPolarHBondContact O-CG1 3.23Å; V296-I300 PolarHBondContact O-N 3.09Å; N297-I300 PolarHBondContact O-N 3.38Å; I300-E302 PolarHBondContact O-N 3.36Å; I300-M303 PolarHBondContact O-N 3.44Å; I300-L304 HydrophobicContact CG2-CD1 4.1Å; I300-L304 WeakPolarHBondContact O-CG 3.48Å; I300-L304 PolarHBondContact O-N 3.17Å; I300-L304 VanDerWaalsContact O-N 3.09Å
301	L	98.8	Very high	98.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-56.2	-51.8	172.3	-174.2	157.3	0	0	0	111.1	Y220 L251 K252 I255 N297 Q298 M303 L304 I305	Y220-L301 HydrophobicContact CD1-CD2 4.46Å; Y220-L301 HydrophobicContact CE1-CD2 3.91Å; Y220-L301 HydrophobicContact CE2-CD1 4.21Å; Y220-L301 HydrophobicContact CE2-CD2 4.07Å; L251-L301 HydrophobicContact CD2-CD1 4.19Å; L251-L301 HydrophobicContact CD2-CD2 4.38Å; L251-L301 HydrophobicContact CD2-CG 4.21Å; L251-L301 HydrophobicContact CG-CD1 4.18Å; K252-L301 HydrophobicContact CG-CD1 3.77Å; I255-L301 HydrophobicContact CG1-CB 4.31Å; I255-L301 HydrophobicContact CG1-CD1 4.29Å; I255-L301 HydrophobicContact CG1-CG 4.2Å; I255-L301 HydrophobicContact CG2-CB 4.1Å; N297-L301 WeakPolarHBondContact O-CB 3.36Å; N297-L301 PolarHBondContact O-N 2.82Å; Q298-L301 PolarHBondContact O-N 2.69Å; L301-M303 VanDerWaalsContact C-N 3.27Å; L301-M303 PolarHBondContact O-N 3.43Å; L301-L304 PolarHBondContact O-N 3.1Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L301-I305 HydrophobicContact CD2-CD1 3.92Å; L301-I305 HydrophobicContact CD2-CG1 4.46Å; L301-I305 HydrophobicContact CD2-CG2 3.99Å; L301-I305 HydrophobicContact CG-CG2 4.47Å; L301-I305 WeakPolarHBondContact O-CG2 3.21Å; L301-I305 PolarHBondContact O-N 2.98Å
302	E	98.9	Very high	98.2	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-35.1	-179.1	-77.2	-173	-169.3	0	0	113	M127 I132 I133 F148 Q298 C299 I300 A306	M127-E302 HydrophobicContact CE-CG 4.4Å; I132-E302 PolarHBondContact N-OE2 2.95Å; I133-E302 HydrophobicContact CD1-CB 3.94Å; I133-E302 HydrophobicContact CD1-CG 3.79Å; I133-E302 HydrophobicContact CG1-CB 4.42Å; I133-E302 HydrophobicContact CG1-CG 4.25Å; I133-E302 WeakPolarHBondContact CG1-OE2 3.19Å; I133-E302 PolarHBondContact N-OE2 3.4Å; F148-E302 HydrophobicContact CE1-CB 4.5Å; F148-E302 HydrophobicContact CZ-CB 4.29Å; Q298-E302 HydrophobicContact CG-CG 4.48Å; Q298-E302 PolarHBondContact NE2-OE1 3.43Å; Q298-E302 VanDerWaalsContact NE2-OE1 3.15Å; Q298-E302 WeakPolarHBondContact O-CB 3.39Å; Q298-E302 WeakPolarHBondContact O-CG 3.23Å; Q298-E302 PolarHBondContact O-N 2.9Å; C299-E302 PolarHBondContact O-N 3.45Å; I300-E302 PolarHBondContact O-N 3.36Å; E302-A306 WeakPolarHBondContact O-CB 3.2Å; E302-A306 PolarHBondContact O-N 2.9Å
303	M	98.8	Very high	98.2	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.044	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-43.6	174.9	-172.9	63.9	81.8	0	0	111.8	F148 A151 L152 F203 F278 C299 I300 L301	F148-M303 HydrophobicContact CB-CE 4.46Å; F148-M303 HydrophobicContact CD1-CE 3.32Å; F148-M303 HydrophobicContact CD1-SD 4.22Å; F148-M303 HydrophobicContact CE1-CB 4.19Å; F148-M303 HydrophobicContact CE1-CE 3.77Å; F148-M303 HydrophobicContact CE1-SD 4.38Å; F148-M303 HydrophobicContact CG-CE 4.09Å; A151-M303 HydrophobicContact CB-CE 4.4Å; L152-M303 HydrophobicContact CD1-CE 4.15Å; L152-M303 HydrophobicContact CD1-SD 4.41Å; L152-M303 HydrophobicContact CD2-CE 4.23Å; L152-M303 HydrophobicContact CD2-SD 3.91Å; L152-M303 HydrophobicContact CG-CE 4.08Å; L152-M303 HydrophobicContact CG-SD 4.38Å; F203-M303 HydrophobicContact CB-CG 3.84Å; F203-M303 HydrophobicContact CD1-CE 4.4Å; F203-M303 HydrophobicContact CD1-CG 4.32Å; F203-M303 HydrophobicContact CD1-SD 4.37Å; F203-M303 HydrophobicContact CD2-CG 3.47Å; F203-M303 VanDerWaalsContact CD2-CG 3.47Å; F203-M303 HydrophobicContact CD2-SD 3.86Å; F203-M303 HydrophobicContact CE1-CE 4.49Å; F203-M303 HydrophobicContact CE1-SD 4.35Å; F203-M303 HydrophobicContact CE2-CG 4.09Å; F203-M303 HydrophobicContact CE2-SD 3.85Å; F203-M303 HydrophobicContact CG-CG 3.61Å; F203-M303 HydrophobicContact CG-SD 4.14Å; F203-M303 HydrophobicContact CZ-SD 4.1Å; F278-M303 HydrophobicContact CD1-CB 4.02Å; F278-M303 HydrophobicContact CD1-CE 3.93Å; F278-M303 HydrophobicContact CD1-CG 3.97Å; F278-M303 HydrophobicContact CD2-CE 3.74Å; F278-M303 HydrophobicContact CE1-CB 3.56Å; F278-M303 HydrophobicContact CE1-CE 3.82Å; F278-M303 HydrophobicContact CE1-CG 3.97Å; F278-M303 HydrophobicContact CE2-CE 3.63Å; F278-M303 HydrophobicContact CG-CE 3.87Å; F278-M303 HydrophobicContact CZ-CB 4.25Å; F278-M303 HydrophobicContact CZ-CE 3.65Å; C299-M303 PolarHBondContact O-N 3.49Å; I300-M303 PolarHBondContact O-N 3.44Å; L301-M303 VanDerWaalsContact C-N 3.27Å; L301-M303 PolarHBondContact O-N 3.43Å
304	L	98.6	Very high	98.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-74.8	-28.7	-176.2	-68	174.6	0	0	0	113.8	N200 L204 I255 I300 L301 P308	N200-L304 HydrophobicContact CB-CD2 4.37Å; L204-L304 HydrophobicContact CD2-CD1 3.89Å; I255-L304 HydrophobicContact CD1-CD1 3.79Å; I300-L304 HydrophobicContact CG2-CD1 4.1Å; I300-L304 WeakPolarHBondContact O-CG 3.48Å; I300-L304 PolarHBondContact O-N 3.17Å; I300-L304 VanDerWaalsContact O-N 3.09Å; L301-L304 PolarHBondContact O-N 3.1Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L304-P308 WeakPolarHBondContact O-CD 3.42Å; L304-P308 WeakPolarHBondContact O-CG 3.02Å
305	I	98.4	Very high	98.4	Very high	2 Å²	2	11 Å²	11	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-81.8	-25.1	177.6	69.7	174.6	0	0	0	113.4	M127 I217 Y220 L251 L301 A307 P308 D309	M127-I305 HydrophobicContact CE-CD1 4.3Å; I217-I305 HydrophobicContact CB-CG2 4.43Å; I217-I305 HydrophobicContact CD1-CG2 4.2Å; I217-I305 HydrophobicContact CG1-CG2 3.89Å; I217-I305 HydrophobicContact CG2-CB 4Å; I217-I305 HydrophobicContact CG2-CG2 3.93Å; Y220-I305 HydrophobicContact CD1-CD1 3.92Å; Y220-I305 HydrophobicContact CE1-CD1 3.61Å; L251-I305 HydrophobicContact CD2-CG2 3.87Å; L301-I305 HydrophobicContact CD2-CD1 3.92Å; L301-I305 HydrophobicContact CD2-CG1 4.46Å; L301-I305 HydrophobicContact CD2-CG2 3.99Å; L301-I305 HydrophobicContact CG-CG2 4.47Å; L301-I305 WeakPolarHBondContact O-CG2 3.21Å; L301-I305 PolarHBondContact O-N 2.98Å; I305-A307 PolarHBondContact O-N 2.74Å; I305-P308 WeakPolarHBondContact O-CD 3.47Å; I305-D309 WeakPolarHBondContact O-CB 3.44Å; I305-D309 PolarHBondContact O-N 2.97Å
306	A	98.3	Very high	98.4	Very high	42 Å²	42	10.9 Å²	10.9	35%	0.347	7%	0.067	S	C	.	.	H	α-helix	trans	-60.1	-47	-167.1	0	0	0	0	0	113.3	E302 T310	E302-A306 WeakPolarHBondContact O-CB 3.2Å; E302-A306 PolarHBondContact O-N 2.9Å; A306-T310 PolarHBondContact O-N 2.64Å; A306-T310 PolarHBondContact O-OG1 2.86Å
307	A	98.2	Very high	98.3	Very high	12 Å²	12	11 Å²	11	10%	0.099	7%	0.068	C	C	.	.	H	α-helix	trans	-73.3	-47.9	-179.8	0	0	0	0	0	112.6	M195 I305 D309 T310 M311	M195-A307 HydrophobicContact CB-CB 3.95Å; M195-A307 HydrophobicContact CG-CB 4.21Å; I305-A307 PolarHBondContact O-N 2.74Å; A307-D309 VanDerWaalsContact C-N 3.3Å; A307-D309 PolarHBondContact O-N 3.29Å; A307-T310 PolarHBondContact O-N 3.14Å; A307-M311 HydrophobicContact CB-CE 4.06Å; A307-M311 WeakPolarHBondContact O-CB 3.49Å; A307-M311 PolarHBondContact O-N 2.93Å
308	P	98.5	Very high	98.3	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.013	6%	0.061	C	C	.	.	H	α-helix	trans	-55.8	-39.1	174.2	-28.9	36.2	0	0	0	114.2	M195 L196 I217 L304 I305 S312	M195-P308 HydrophobicContact CB-CB 4.45Å; M195-P308 HydrophobicContact CB-CG 4Å; L196-P308 HydrophobicContact CB-CG 4.03Å; I217-P308 HydrophobicContact CD1-CB 4.44Å; I217-P308 HydrophobicContact CD1-CG 4.2Å; I217-P308 HydrophobicContact CG2-CB 4.29Å; L304-P308 WeakPolarHBondContact O-CD 3.42Å; L304-P308 WeakPolarHBondContact O-CG 3.02Å; I305-P308 WeakPolarHBondContact O-CD 3.47Å; P308-S312 WeakPolarHBondContact O-CB 3.16Å; P308-S312 PolarHBondContact O-OG 3.31Å
309	D	96.3	Very high	98.3	Very high	20 Å²	20	9.3 Å²	9.3	11%	0.107	6%	0.059	C	C	.	.	H	α-helix	trans	-73.2	-38	-177.9	-76.1	-20.7	0	0	0	113	I217 F221 I305 A307	I217-D309 WeakPolarHBondContact CG2-OD1 3.12Å; F221-D309 HydrophobicContact CD2-CB 4.16Å; F221-D309 WeakPolarHBondContact CD2-OD2 3.16Å; I305-D309 WeakPolarHBondContact O-CB 3.44Å; I305-D309 PolarHBondContact O-N 2.97Å; A307-D309 VanDerWaalsContact C-N 3.3Å; A307-D309 PolarHBondContact O-N 3.29Å
310	T	98.3	Very high	98.1	Very high	54 Å²	54	9.3 Å²	9.3	33%	0.331	6%	0.059	S	C	.	.	H	α-helix	trans	-107	-46.3	-169.4	59.9	0	0	0	0	113.9	A306 A307 T314 V370	A306-T310 PolarHBondContact O-N 2.64Å; A306-T310 PolarHBondContact O-OG1 2.86Å; A307-T310 PolarHBondContact O-N 3.14Å; T310-T314 WeakPolarHBondContact O-CB 3.36Å; T310-T314 PolarHBondContact O-N 3Å; T310-T314 VanDerWaalsContact O-N 3.14Å; T310-T314 PolarHBondContact O-OG1 2.72Å; T310-V370 HydrophobicContact CG2-CG2 4.23Å
311	M	98.3	Very high	97.9	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.049	6%	0.058	C	C	.	.	H	α-helix	trans	-77.4	-35.4	-173.4	-61.1	-146.4	-50.2	0	0	112	M195 A307 V313 T314 L315 A443 M446 M447	M195-M311 HydrophobicContact CG-CB 4.09Å; M195-M311 HydrophobicContact SD-CB 3.92Å; M195-M311 HydrophobicContact SD-CE 3.36Å; M195-M311 WeakPolarHBondContact SD-CE 3.21Å; A307-M311 HydrophobicContact CB-CE 4.06Å; A307-M311 WeakPolarHBondContact O-CB 3.49Å; A307-M311 PolarHBondContact O-N 2.93Å; M311-V313 VanDerWaalsContact C-N 3.32Å; M311-V313 PolarHBondContact O-N 3.16Å; M311-T314 PolarHBondContact O-N 3.12Å; M311-L315 WeakPolarHBondContact O-CB 3.48Å; M311-L315 WeakPolarHBondContact O-CD1 3.27Å; M311-L315 WeakPolarHBondContact O-CG 3.35Å; M311-L315 PolarHBondContact O-N 2.85Å; M311-A443 HydrophobicContact SD-CB 3.7Å; M311-M446 HydrophobicContact CE-CB 3.6Å; M311-M446 HydrophobicContact CE-CE 3.43Å; M311-M446 VanDerWaalsContact CE-CE 3.43Å; M311-M446 HydrophobicContact CE-CG 4.15Å; M311-M446 HydrophobicContact CE-SD 3.5Å; M311-M446 VanDerWaalsContact CE-SD 3.5Å; M311-M446 HydrophobicContact SD-CB 4.34Å; M311-M447 HydrophobicContact SD-CG 4.3Å
312	S	98.3	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.8	-45	177.8	71.2	0	0	0	0	112.1	R192 P308 Y316	R192-S312 WeakPolarHBondContact CG-OG 3.43Å; P308-S312 WeakPolarHBondContact O-CB 3.16Å; P308-S312 PolarHBondContact O-OG 3.31Å; S312-Y316 WeakPolarHBondContact O-CB 2.98Å; S312-Y316 PolarHBondContact O-N 3.34Å
313	V	98.3	Very high	97.6	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-69.8	-38.7	178	-174.3	0	0	0	0	111	L188 M311 Y316 F317 V369 H480	L188-V313 HydrophobicContact CD2-CG2 4.3Å; M311-V313 VanDerWaalsContact C-N 3.32Å; M311-V313 PolarHBondContact O-N 3.16Å; V313-Y316 WeakPolarHBondContact O-CB 3.42Å; V313-Y316 PolarHBondContact O-N 2.8Å; V313-F317 HydrophobicContact CG1-CD2 4.29Å; V313-F317 HydrophobicContact CG1-CE2 3.88Å; V313-F317 HydrophobicContact CG1-CZ 4.01Å; V313-F317 PolarHBondContact O-N 3.47Å; V313-V369 HydrophobicContact CB-CG1 4.17Å; V313-V369 HydrophobicContact CB-CG2 3.93Å; V313-V369 HydrophobicContact CG1-CG1 4.21Å; V313-V369 HydrophobicContact CG1-CG2 3.67Å; V313-H480 HydrophobicContact CG1-CB 4.01Å
314	T	98.8	Very high	97.3	Very high	20 Å²	20	11.9 Å²	11.9	12%	0.123	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-45.6	177.9	-61.2	0	0	0	0	110.7	T310 M311 F317 M318 M364 V369 M447	T310-T314 WeakPolarHBondContact O-CB 3.36Å; T310-T314 PolarHBondContact O-N 3Å; T310-T314 VanDerWaalsContact O-N 3.14Å; T310-T314 PolarHBondContact O-OG1 2.72Å; M311-T314 PolarHBondContact O-N 3.12Å; T314-F317 PolarHBondContact O-N 3.45Å; T314-M318 HydrophobicContact CG2-CE 3.35Å; T314-M318 HydrophobicContact CG2-SD 4.07Å; T314-M318 VanDerWaalsContact O-CG 3.3Å; T314-M318 WeakPolarHBondContact O-CG 3.17Å; T314-M318 PolarHBondContact O-N 3.15Å; T314-M364 HydrophobicContact CG2-CG 4.17Å; T314-V369 VanDerWaalsContact OG1-CG2 3.28Å; T314-V369 WeakPolarHBondContact OG1-CG2 3.43Å; T314-M447 HydrophobicContact CG2-SD 3.78Å
315	L	98.6	Very high	97	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-37.6	176.6	-73.6	160.7	0	0	0	111.9	M191 M195 M311 F317 M318 L319 M447 I450 L451	M191-L315 HydrophobicContact CG-CB 4.28Å; M191-L315 HydrophobicContact SD-CB 4.13Å; M191-L315 HydrophobicContact SD-CD1 4.04Å; M195-L315 HydrophobicContact CE-CD1 3.95Å; M195-L315 HydrophobicContact SD-CD1 4.41Å; M311-L315 WeakPolarHBondContact O-CB 3.48Å; M311-L315 WeakPolarHBondContact O-CD1 3.27Å; M311-L315 WeakPolarHBondContact O-CG 3.35Å; M311-L315 PolarHBondContact O-N 2.85Å; L315-F317 PolarHBondContact O-N 2.8Å; L315-M318 HydrophobicContact CD2-SD 4.21Å; L315-M318 WeakPolarHBondContact O-CB 3.27Å; L315-M318 PolarHBondContact O-N 3.29Å; L315-L319 WeakPolarHBondContact O-CB 3.15Å; L315-L319 VanDerWaalsContact O-CG 3.23Å; L315-L319 WeakPolarHBondContact O-CG 3.39Å; L315-L319 PolarHBondContact O-N 3.06Å; L315-M447 HydrophobicContact CD2-CB 4.41Å; L315-M447 HydrophobicContact CD2-CG 4.27Å; L315-M447 HydrophobicContact CG-CG 4.44Å; L315-I450 HydrophobicContact CD1-CB 4.38Å; L315-I450 HydrophobicContact CD1-CD1 3.54Å; L315-I450 HydrophobicContact CD1-CG2 3.92Å; L315-I450 HydrophobicContact CD2-CB 4.31Å; L315-I450 HydrophobicContact CD2-CG2 3.84Å; L315-I450 HydrophobicContact CG-CG2 4.46Å; L315-L451 HydrophobicContact CD2-CD2 4.17Å; L315-L451 HydrophobicContact CD2-CG 4.05Å
316	Y	97.4	Very high	96.7	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-48.9	171.6	172.9	-103.4	0	0	0	111.8	V187 L188 S312 V313 M318 L319 L320 I471 P481 V488 I490	V187-Y316 HydrophobicContact CB-CD2 4.06Å; V187-Y316 HydrophobicContact CG1-CD2 3.95Å; L188-Y316 HydrophobicContact CD2-CD1 4.12Å; L188-Y316 HydrophobicContact CD2-CD2 4.2Å; L188-Y316 HydrophobicContact CD2-CG 3.7Å; L188-Y316 HydrophobicContact CG-CD1 4.41Å; L188-Y316 HydrophobicContact CG-CD2 3.96Å; L188-Y316 HydrophobicContact CG-CE2 4.43Å; L188-Y316 HydrophobicContact CG-CG 3.95Å; S312-Y316 WeakPolarHBondContact O-CB 2.98Å; S312-Y316 PolarHBondContact O-N 3.34Å; V313-Y316 WeakPolarHBondContact O-CB 3.42Å; V313-Y316 PolarHBondContact O-N 2.8Å; Y316-M318 PolarHBondContact O-N 3.3Å; Y316-L319 PolarHBondContact O-N 3.49Å; Y316-L320 HydrophobicContact CD1-CD1 4.22Å; Y316-L320 HydrophobicContact CE1-CD1 3.6Å; Y316-L320 HydrophobicContact CE1-CG 4.45Å; Y316-L320 HydrophobicContact CE2-CD1 4.4Å; Y316-L320 WeakPolarHBondContact O-CG 3.46Å; Y316-L320 PolarHBondContact O-N 3.03Å; Y316-L320 VanDerWaalsContact O-N 3.08Å; Y316-I471 HydrophobicContact CE1-CD1 4.4Å; Y316-P481 HydrophobicContact CD1-CG 4.13Å; Y316-P481 HydrophobicContact CE1-CB 4.14Å; Y316-P481 HydrophobicContact CE1-CG 3.99Å; Y316-V488 PolarHBondContact OH-N 2.98Å; Y316-I490 HydrophobicContact CD2-CD1 4.08Å; Y316-I490 HydrophobicContact CE2-CD1 3.83Å
317	F	97.8	Very high	96.6	Very high	3 Å²	3	22 Å²	22	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-40.2	175	-72.2	-19.6	0	0	0	112.8	V313 T314 L315 L319 L320 L321 Q367 V369 I468 I471	V313-F317 HydrophobicContact CG1-CD2 4.29Å; V313-F317 HydrophobicContact CG1-CE2 3.88Å; V313-F317 HydrophobicContact CG1-CZ 4.01Å; V313-F317 PolarHBondContact O-N 3.47Å; T314-F317 PolarHBondContact O-N 3.45Å; L315-F317 PolarHBondContact O-N 2.8Å; F317-L319 PolarHBondContact O-N 2.75Å; F317-L320 PolarHBondContact O-N 3.37Å; F317-L321 WeakPolarHBondContact O-CG 3.41Å; F317-L321 PolarHBondContact O-N 2.81Å; F317-Q367 HydrophobicContact CB-CG 4.29Å; F317-Q367 HydrophobicContact CD1-CG 4.39Å; F317-Q367 HydrophobicContact CD2-CB 4.4Å; F317-Q367 HydrophobicContact CD2-CG 3.47Å; F317-Q367 VanDerWaalsContact CD2-CG 3.47Å; F317-Q367 HydrophobicContact CE2-CG 3.78Å; F317-Q367 HydrophobicContact CG-CG 3.81Å; F317-Q367 HydrophobicContact CZ-CG 4.38Å; F317-V369 HydrophobicContact CD2-CG2 3.77Å; F317-V369 HydrophobicContact CE2-CG2 3.85Å; F317-I468 HydrophobicContact CB-CD1 3.79Å; F317-I468 HydrophobicContact CD1-CD1 4.12Å; F317-I468 HydrophobicContact CD1-CG1 4.37Å; F317-I468 HydrophobicContact CG-CD1 4.09Å; F317-I468 WeakPolarHBondContact O-CD1 3.38Å; F317-I471 HydrophobicContact CD1-CD1 4.14Å; F317-I471 HydrophobicContact CE1-CD1 3.63Å
318	M	98.4	Very high	96.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-43.1	174.3	-75	169	-175.6	0	0	112.1	T314 L315 Y316 L320 L321 I322 F359 I360 M364 M447 L451	T314-M318 HydrophobicContact CG2-CE 3.35Å; T314-M318 HydrophobicContact CG2-SD 4.07Å; T314-M318 VanDerWaalsContact O-CG 3.3Å; T314-M318 WeakPolarHBondContact O-CG 3.17Å; T314-M318 PolarHBondContact O-N 3.15Å; L315-M318 HydrophobicContact CD2-SD 4.21Å; L315-M318 WeakPolarHBondContact O-CB 3.27Å; L315-M318 PolarHBondContact O-N 3.29Å; Y316-M318 PolarHBondContact O-N 3.3Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-L320 PolarHBondContact O-N 2.98Å; M318-L321 WeakPolarHBondContact O-CB 3.45Å; M318-L321 PolarHBondContact O-N 3.09Å; M318-I322 WeakPolarHBondContact O-CG1 3.42Å; M318-I322 PolarHBondContact O-N 3.49Å; M318-F359 HydrophobicContact CB-CE1 3.82Å; M318-F359 HydrophobicContact CB-CZ 3.72Å; M318-F359 HydrophobicContact CG-CE1 3.91Å; M318-F359 HydrophobicContact CG-CZ 4Å; M318-F359 WeakPolarHBondContact O-CZ 3.46Å; M318-F359 HydrophobicContact SD-CE1 4.4Å; M318-I360 HydrophobicContact CE-CB 4.12Å; M318-I360 HydrophobicContact CE-CG1 4.17Å; M318-I360 HydrophobicContact CE-CG2 3.79Å; M318-I360 HydrophobicContact SD-CG1 4.25Å; M318-M364 HydrophobicContact CE-CG 4.01Å; M318-M447 HydrophobicContact CE-SD 3.77Å; M318-M447 HydrophobicContact SD-SD 4.27Å; M318-L451 HydrophobicContact CB-CD2 4.48Å; M318-L451 HydrophobicContact SD-CD1 4.14Å
319	L	97	Very high	96.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-67.3	-34.9	179.9	-69.4	170.2	0	0	0	112	V187 M191 L315 Y316 F317 I322 A323 L451 L454 V460 F492	V187-L319 HydrophobicContact CG1-CD1 3.53Å; M191-L319 HydrophobicContact CE-CD1 4Å; L315-L319 WeakPolarHBondContact O-CB 3.15Å; L315-L319 VanDerWaalsContact O-CG 3.23Å; L315-L319 WeakPolarHBondContact O-CG 3.39Å; L315-L319 PolarHBondContact O-N 3.06Å; Y316-L319 PolarHBondContact O-N 3.49Å; F317-L319 PolarHBondContact O-N 2.75Å; L319-I322 HydrophobicContact CD2-CD1 4.39Å; L319-I322 PolarHBondContact O-N 3.11Å; L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 2.57Å; L319-L451 HydrophobicContact CD2-CD2 4.37Å; L319-L454 HydrophobicContact CD1-CD1 4.12Å; L319-L454 HydrophobicContact CD2-CD1 4.11Å; L319-L454 HydrophobicContact CD2-CD2 3.89Å; L319-V460 HydrophobicContact CB-CG1 4.37Å; L319-V460 HydrophobicContact CD2-CG2 4.02Å; L319-F492 HydrophobicContact CD1-CZ 4.4Å
320	L	94.9	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-46.6	169.6	-69.1	178	0	0	0	111.7	Y316 F317 M318 I322 A323 E324 I468 I471 V488 I490	Y316-L320 HydrophobicContact CD1-CD1 4.22Å; Y316-L320 HydrophobicContact CE1-CD1 3.6Å; Y316-L320 HydrophobicContact CE1-CG 4.45Å; Y316-L320 HydrophobicContact CE2-CD1 4.4Å; Y316-L320 WeakPolarHBondContact O-CG 3.46Å; Y316-L320 PolarHBondContact O-N 3.03Å; Y316-L320 VanDerWaalsContact O-N 3.08Å; F317-L320 PolarHBondContact O-N 3.37Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-L320 PolarHBondContact O-N 2.98Å; L320-I322 VanDerWaalsContact C-N 3.33Å; L320-I322 PolarHBondContact O-N 2.84Å; L320-A323 PolarHBondContact O-N 2.9Å; L320-A323 VanDerWaalsContact O-N 3.16Å; L320-E324 WeakPolarHBondContact O-CG 3.38Å; L320-E324 PolarHBondContact O-N 2.9Å; L320-I468 HydrophobicContact CB-CD1 4.44Å; L320-I471 HydrophobicContact CD1-CD1 3.97Å; L320-V488 HydrophobicContact CD2-CB 3.96Å; L320-V488 HydrophobicContact CD2-CG1 3.64Å; L320-I490 HydrophobicContact CD2-CD1 3.71Å; L320-I490 HydrophobicContact CD2-CG1 3.93Å; L320-I490 HydrophobicContact CG-CD1 4.21Å
321	L	96.1	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-40.5	176.1	-72.3	163	0	0	0	111.9	F317 M318 A323 E324 Y325 F359 Y366 F413 I468	F317-L321 WeakPolarHBondContact O-CG 3.41Å; F317-L321 PolarHBondContact O-N 2.81Å; M318-L321 WeakPolarHBondContact O-CB 3.45Å; M318-L321 PolarHBondContact O-N 3.09Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.19Å; L321-E324 PolarHBondContact O-N 2.83Å; L321-Y325 HydrophobicContact CD2-CD2 4.3Å; L321-Y325 HydrophobicContact CD2-CE2 3.96Å; L321-Y325 WeakPolarHBondContact O-CB 3.48Å; L321-Y325 VanDerWaalsContact O-CD2 3.25Å; L321-Y325 WeakPolarHBondContact O-CD2 3.07Å; L321-Y325 PolarHBondContact O-N 2.81Å; L321-F359 HydrophobicContact CB-CE2 4.22Å; L321-Y366 HydrophobicContact CD2-CD1 4.3Å; L321-F413 HydrophobicContact CB-CE1 4.43Å; L321-F413 HydrophobicContact CB-CE2 4.4Å; L321-F413 HydrophobicContact CB-CZ 4.11Å; L321-F413 HydrophobicContact CD1-CD2 4.09Å; L321-F413 HydrophobicContact CD1-CE2 3.7Å; L321-F413 HydrophobicContact CD1-CZ 4.23Å; L321-F413 HydrophobicContact CD2-CB 4.4Å; L321-F413 HydrophobicContact CD2-CD1 4.11Å; L321-F413 HydrophobicContact CD2-CD2 3.74Å; L321-F413 HydrophobicContact CD2-CE1 4.3Å; L321-F413 HydrophobicContact CD2-CE2 3.97Å; L321-F413 HydrophobicContact CD2-CG 3.81Å; L321-F413 HydrophobicContact CD2-CZ 4.24Å; L321-F413 HydrophobicContact CG-CD2 4.46Å; L321-F413 HydrophobicContact CG-CE2 4.24Å; L321-F413 HydrophobicContact CG-CZ 4.42Å; L321-I468 HydrophobicContact CD1-CD1 4Å; L321-I468 HydrophobicContact CD2-CD1 4.12Å; L321-I468 HydrophobicContact CD2-CG2 3.9Å; L321-I468 HydrophobicContact CG-CD1 3.69Å
322	I	96.2	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.9	-76.8	157	0	0	0	111.1	M318 L319 L320 E324 Y325 E329 I332 F359 L451 L455 V460	M318-I322 WeakPolarHBondContact O-CG1 3.42Å; M318-I322 PolarHBondContact O-N 3.49Å; L319-I322 HydrophobicContact CD2-CD1 4.39Å; L319-I322 PolarHBondContact O-N 3.11Å; L320-I322 VanDerWaalsContact C-N 3.33Å; L320-I322 PolarHBondContact O-N 2.84Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.86Å; I322-Y325 PolarHBondContact O-N 3.4Å; I322-E329 HydrophobicContact CG2-CB 3.96Å; I322-E329 HydrophobicContact CG2-CG 3.75Å; I322-I332 HydrophobicContact CG1-CD1 4.45Å; I322-F359 HydrophobicContact CD1-CE1 3.68Å; I322-F359 HydrophobicContact CD1-CE2 4.35Å; I322-F359 HydrophobicContact CD1-CZ 3.51Å; I322-F359 HydrophobicContact CG1-CE1 4.05Å; I322-F359 HydrophobicContact CG1-CE2 3.81Å; I322-F359 HydrophobicContact CG1-CZ 3.44Å; I322-F359 VanDerWaalsContact CG1-CZ 3.44Å; I322-L451 HydrophobicContact CD1-CD2 3.89Å; I322-L455 HydrophobicContact CD1-CD1 3.84Å; I322-L455 HydrophobicContact CD1-CD2 4.32Å; I322-L455 HydrophobicContact CG2-CD2 4.03Å; I322-V460 HydrophobicContact CG2-CB 4.47Å
323	A	93.3	Very high	96.5	Very high	25 Å²	25	27.2 Å²	27.2	21%	0.207	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-31.1	179	0	0	0	0	0	112.8	L319 L320 L321 V460 T462	L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 2.57Å; L320-A323 PolarHBondContact O-N 2.9Å; L320-A323 VanDerWaalsContact O-N 3.16Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.19Å; A323-V460 HydrophobicContact CB-CG1 4.33Å; A323-T462 HydrophobicContact CB-CG2 4.1Å
324	E	92.4	Very high	96.5	Very high	45 Å²	45	34.4 Å²	34.4	21%	0.21	17%	0.174	C	C	.	.	H	α-helix	trans	-82.4	-29.1	179.2	-72.4	169.3	-146.1	0	0	113.8	L320 L321 I322 P326 C467 I468	L320-E324 WeakPolarHBondContact O-CG 3.38Å; L320-E324 PolarHBondContact O-N 2.9Å; L321-E324 PolarHBondContact O-N 2.83Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.86Å; E324-P326 VanDerWaalsContact O-CD 3.22Å; E324-P326 WeakPolarHBondContact O-CD 3.16Å; E324-C467 HydrophobicContact CG-CB 4.41Å; E324-C467 VanDerWaalsContact OE1-C 3.3Å; E324-C467 WeakPolarHBondContact OE1-CA 3.45Å; E324-C467 WeakPolarHBondContact OE2-CB 3.38Å; E324-I468 PolarHBondContact OE1-N 3.38Å
325	Y	94.3	Very high	96.5	Very high	72 Å²	72	34.5 Å²	34.5	28%	0.282	17%	0.173	S	C	.	.			trans	-117.8	76.6	-174.2	-65.8	-93.1	0	0	0	111.2	L321 I322 E327 V328 E329 F413	L321-Y325 HydrophobicContact CD2-CD2 4.3Å; L321-Y325 HydrophobicContact CD2-CE2 3.96Å; L321-Y325 WeakPolarHBondContact O-CB 3.48Å; L321-Y325 VanDerWaalsContact O-CD2 3.25Å; L321-Y325 WeakPolarHBondContact O-CD2 3.07Å; L321-Y325 PolarHBondContact O-N 2.81Å; I322-Y325 PolarHBondContact O-N 3.4Å; Y325-E327 PolarHBondContact O-N 3.41Å; Y325-E327 VanDerWaalsContact O-N 3.16Å; Y325-V328 WeakPolarHBondContact O-CB 3.3Å; Y325-V328 PolarHBondContact O-N 3.43Å; Y325-E329 PolarHBondContact O-N 3.4Å; Y325-F413 AromaticContact CD1-CD1 3.87Å; Y325-F413 HydrophobicContact CD1-CD1 3.87Å; Y325-F413 HydrophobicContact CD1-CE1 4.36Å; Y325-F413 AromaticContact CD2-CD1 3.51Å; Y325-F413 HydrophobicContact CD2-CD1 3.51Å; Y325-F413 AromaticContact CD2-CE1 3.78Å; Y325-F413 HydrophobicContact CD2-CE1 3.78Å; Y325-F413 HydrophobicContact CD2-CG 4.47Å; Y325-F413 HydrophobicContact CE1-CB 4.42Å; Y325-F413 AromaticContact CE1-CD1 3.82Å; Y325-F413 HydrophobicContact CE1-CD1 3.82Å; Y325-F413 HydrophobicContact CE2-CB 4.15Å; Y325-F413 AromaticContact CE2-CD1 3.49Å; Y325-F413 HydrophobicContact CE2-CD1 3.49Å; Y325-F413 VanDerWaalsContact CE2-CD1 3.49Å; Y325-F413 HydrophobicContact CE2-CE1 4.2Å; Y325-F413 HydrophobicContact CE2-CG 4.07Å; Y325-F413 AromaticContact CG-CD1 3.73Å; Y325-F413 HydrophobicContact CG-CD1 3.73Å; Y325-F413 AromaticContact CG-CE1 3.88Å; Y325-F413 HydrophobicContact CG-CE1 3.88Å; Y325-F413 AromaticContact CZ-CD1 3.64Å
326	P	92	Very high	96.4	Very high	64 Å²	64	34.6 Å²	34.6	42%	0.416	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-27.5	-174.1	24.1	-35.1	0	0	0	113.9	E324 V328 E329 K330	E324-P326 VanDerWaalsContact O-CD 3.22Å; E324-P326 WeakPolarHBondContact O-CD 3.16Å; P326-V328 VanDerWaalsContact C-N 3.32Å; P326-E329 PolarHBondContact O-N 3.32Å; P326-K330 VanDerWaalsContact O-CG 3.32Å; P326-K330 WeakPolarHBondContact O-CG 3.3Å; P326-K330 PolarHBondContact O-N 3.11Å
327	E	95.7	Very high	96.4	Very high	123 Å²	123	39.2 Å²	39.2	58%	0.575	20%	0.195	S	C	*	.	H	α-helix	trans	-67.8	-33.4	174.8	-59.7	-50.5	132.7	0	0	112.2	Y325 K330 A331	Y325-E327 PolarHBondContact O-N 3.41Å; Y325-E327 VanDerWaalsContact O-N 3.16Å; E327-K330 IonicContact OE1-NZ 3.43Å; E327-K330 PolarHBondContact OE1-NZ 3.19Å; E327-K330 IonicContact OE2-NZ 3.57Å; E327-K330 PolarHBondContact OE2-NZ 3.48Å; E327-A331 PolarHBondContact O-N 3.02Å; E327-A331 VanDerWaalsContact O-N 3.11Å
328	V	96.9	Very high	96.4	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-42.9	174	173.5	0	0	0	0	110.2	Y325 P326 K330 A331 I332 F359 F413 L415	Y325-V328 WeakPolarHBondContact O-CB 3.3Å; Y325-V328 PolarHBondContact O-N 3.43Å; P326-V328 VanDerWaalsContact C-N 3.32Å; V328-K330 PolarHBondContact O-N 3.03Å; V328-A331 PolarHBondContact O-N 3.38Å; V328-I332 HydrophobicContact CG1-CD1 3.84Å; V328-I332 HydrophobicContact CG1-CG1 4.47Å; V328-I332 WeakPolarHBondContact O-CG1 3.42Å; V328-I332 PolarHBondContact O-N 3.12Å; V328-F359 HydrophobicContact CG1-CD2 3.64Å; V328-F359 HydrophobicContact CG1-CE2 4.25Å; V328-F359 HydrophobicContact CG1-CG 4.37Å; V328-F413 HydrophobicContact CG2-CE1 4.37Å; V328-L415 HydrophobicContact CG1-CD1 4.18Å; V328-L415 HydrophobicContact CG2-CD1 4.37Å; V328-L415 HydrophobicContact CG2-CG 4.32Å
329	E	96.8	Very high	96.4	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-46.2	174.7	-170	-176.2	-161.3	0	0	111.9	I322 Y325 P326 A331 I332 V333 H459 R495	I322-E329 HydrophobicContact CG2-CB 3.96Å; I322-E329 HydrophobicContact CG2-CG 3.75Å; Y325-E329 PolarHBondContact O-N 3.4Å; P326-E329 PolarHBondContact O-N 3.32Å; E329-A331 VanDerWaalsContact C-N 3.32Å; E329-A331 PolarHBondContact O-N 3.42Å; E329-I332 PolarHBondContact O-N 3.43Å; E329-V333 HydrophobicContact CG-CG2 4.35Å; E329-V333 WeakPolarHBondContact O-CB 3.44Å; E329-V333 VanDerWaalsContact O-CG2 3.3Å; E329-V333 WeakPolarHBondContact O-CG2 3.26Å; E329-V333 PolarHBondContact O-N 2.89Å; E329-H459 IonicContact OE1-CE1 3.6Å; E329-H459 IonicContact OE1-CG 2.83Å; E329-H459 IonicContact OE1-ND1 3.71Å; E329-H459 PolarHBondContact OE1-ND1 2.89Å; E329-H459 IonicContact OE2-CE1 2.98Å; E329-H459 PolarHBondContact OE2-CE1 3.04Å; E329-H459 IonicContact OE2-ND1 2.7Å; E329-H459 PolarHBondContact OE2-ND1 2.99Å; E329-R495 IonicContact OE1-CZ 2.68Å; E329-R495 IonicContact OE1-NH1 3Å; E329-R495 IonicContact OE1-NH2 2.77Å; E329-R495 PolarHBondContact OE1-NH2 3.01Å
330	K	97	Very high	96.4	Very high	120 Å²	120	46.2 Å²	46.2	52%	0.522	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-43	176	-72.8	171.1	-170.1	168.2	0	111.9	P326 E327 V328 K334	P326-K330 VanDerWaalsContact O-CG 3.32Å; P326-K330 WeakPolarHBondContact O-CG 3.3Å; P326-K330 PolarHBondContact O-N 3.11Å; E327-K330 IonicContact OE1-NZ 3.43Å; E327-K330 PolarHBondContact OE1-NZ 3.19Å; E327-K330 IonicContact OE2-NZ 3.57Å; E327-K330 PolarHBondContact OE2-NZ 3.48Å; V328-K330 PolarHBondContact O-N 3.03Å; K330-K334 VanDerWaalsContact O-CB 3.3Å; K330-K334 WeakPolarHBondContact O-CB 3.38Å; K330-K334 PolarHBondContact O-N 2.86Å
331	A	98.1	Very high	96.4	Very high	39 Å²	39	47.1 Å²	47.1	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-43.8	178	0	0	0	0	0	111.9	E327 V328 E329 K334 E335 V355	E327-A331 PolarHBondContact O-N 3.02Å; E327-A331 VanDerWaalsContact O-N 3.11Å; V328-A331 PolarHBondContact O-N 3.38Å; E329-A331 VanDerWaalsContact C-N 3.32Å; E329-A331 PolarHBondContact O-N 3.42Å; A331-K334 PolarHBondContact O-N 2.84Å; A331-E335 PolarHBondContact O-N 3.24Å; A331-V355 HydrophobicContact CB-CG1 3.97Å
332	I	98.4	Very high	96.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-50.2	175.9	-71.5	166.7	0	0	0	110.8	I322 V328 E329 K334 E335 I336 V355 V356 F359 L455	I322-I332 HydrophobicContact CG1-CD1 4.45Å; V328-I332 HydrophobicContact CG1-CD1 3.84Å; V328-I332 HydrophobicContact CG1-CG1 4.47Å; V328-I332 WeakPolarHBondContact O-CG1 3.42Å; V328-I332 PolarHBondContact O-N 3.12Å; E329-I332 PolarHBondContact O-N 3.43Å; I332-K334 VanDerWaalsContact C-N 3.31Å; I332-K334 PolarHBondContact O-N 3.5Å; I332-E335 WeakPolarHBondContact O-CB 3.49Å; I332-E335 PolarHBondContact O-N 3.5Å; I332-E335 VanDerWaalsContact O-N 3.14Å; I332-I336 HydrophobicContact CG2-CD1 3.64Å; I332-I336 HydrophobicContact CG2-CG1 4.3Å; I332-I336 VanDerWaalsContact O-CG1 3.31Å; I332-I336 WeakPolarHBondContact O-CG1 3.49Å; I332-I336 PolarHBondContact O-N 3.17Å; I332-V355 HydrophobicContact CG1-CG1 4.02Å; I332-V356 HydrophobicContact CG1-CG2 4.38Å; I332-V356 HydrophobicContact CG2-CG2 3.78Å; I332-F359 HydrophobicContact CD1-CB 3.96Å; I332-F359 HydrophobicContact CD1-CD1 3.85Å; I332-F359 HydrophobicContact CD1-CD2 4.05Å; I332-F359 HydrophobicContact CD1-CE1 4.42Å; I332-F359 HydrophobicContact CD1-CG 3.65Å; I332-L455 HydrophobicContact CG2-CD1 3.59Å
333	V	97.9	Very high	96.1	Very high	19 Å²	19	58.4 Å²	58.4	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-38.9	-178.7	171.5	0	0	0	0	111.3	E329 E335 I336 H337	E329-V333 HydrophobicContact CG-CG2 4.35Å; E329-V333 WeakPolarHBondContact O-CB 3.44Å; E329-V333 VanDerWaalsContact O-CG2 3.3Å; E329-V333 WeakPolarHBondContact O-CG2 3.26Å; E329-V333 PolarHBondContact O-N 2.89Å; V333-E335 PolarHBondContact O-N 3.39Å; V333-I336 PolarHBondContact O-N 3.32Å; V333-H337 PolarHBondContact O-CD2 3.4Å; V333-H337 PolarHBondContact O-N 3.17Å
334	K	98.2	Very high	96	Very high	154 Å²	154	61.3 Å²	61.3	67%	0.67	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-43.7	173.4	-177.4	-179.5	177	-176.9	0	111.9	K330 A331 I332 H337 T338	K330-K334 VanDerWaalsContact O-CB 3.3Å; K330-K334 WeakPolarHBondContact O-CB 3.38Å; K330-K334 PolarHBondContact O-N 2.86Å; A331-K334 PolarHBondContact O-N 2.84Å; I332-K334 VanDerWaalsContact C-N 3.31Å; I332-K334 PolarHBondContact O-N 3.5Å; K334-H337 PolarHBondContact O-N 2.93Å; K334-T338 WeakPolarHBondContact O-CB 3.15Å; K334-T338 PolarHBondContact O-N 3.48Å; K334-T338 VanDerWaalsContact O-N 3.09Å; K334-T338 PolarHBondContact O-OG1 2.96Å
335	E	98.4	Very high	96.2	Very high	23 Å²	23	59.4 Å²	59.4	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-45.8	175.2	-178.8	174.1	-105.9	0	0	111.5	A331 I332 V333 H337 T338 V339 L353 K354 V355 V356	A331-E335 PolarHBondContact O-N 3.24Å; I332-E335 WeakPolarHBondContact O-CB 3.49Å; I332-E335 PolarHBondContact O-N 3.5Å; I332-E335 VanDerWaalsContact O-N 3.14Å; V333-E335 PolarHBondContact O-N 3.39Å; E335-H337 VanDerWaalsContact C-N 3.33Å; E335-H337 PolarHBondContact O-N 3.39Å; E335-T338 PolarHBondContact O-N 2.88Å; E335-V339 HydrophobicContact CG-CG2 4.09Å; E335-V339 PolarHBondContact O-N 3.28Å; E335-L353 HydrophobicContact CG-CD2 4.17Å; E335-L353 WeakPolarHBondContact OE2-CA 3.44Å; E335-K354 VanDerWaalsContact CD-N 3.31Å; E335-K354 PolarHBondContact OE1-N 2.7Å; E335-K354 PolarHBondContact OE2-N 3.19Å; E335-V355 HydrophobicContact CB-CB 4.32Å; E335-V355 HydrophobicContact CB-CG2 4.43Å; E335-V355 WeakPolarHBondContact OE1-CG2 3.42Å; E335-V355 PolarHBondContact OE1-N 3.15Å; E335-V355 WeakPolarHBondContact OE2-CA 3.43Å; E335-V355 WeakPolarHBondContact OE2-CB 3.44Å; E335-V355 PolarHBondContact OE2-N 3.34Å; E335-V356 WeakPolarHBondContact OE2-CG2 3.49Å; E335-V356 PolarHBondContact OE2-N 3.18Å
336	I	98.1	Very high	96.2	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-56	-47.8	176.9	-69	167.3	0	0	0	110.8	I332 V333 T338 V340 G341 V452 L455 K456	I332-I336 HydrophobicContact CG2-CD1 3.64Å; I332-I336 HydrophobicContact CG2-CG1 4.3Å; I332-I336 VanDerWaalsContact O-CG1 3.31Å; I332-I336 WeakPolarHBondContact O-CG1 3.49Å; I332-I336 PolarHBondContact O-N 3.17Å; V333-I336 PolarHBondContact O-N 3.32Å; I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 PolarHBondContact O-N 3.05Å; I336-V340 WeakPolarHBondContact O-CA 3.4Å; I336-V340 WeakPolarHBondContact O-CB 3.49Å; I336-V340 PolarHBondContact O-N 3.49Å; I336-G341 PolarHBondContact O-N 3.02Å; I336-V452 HydrophobicContact CD1-CB 4.44Å; I336-V452 HydrophobicContact CD1-CG2 4.3Å; I336-V452 HydrophobicContact CG1-CG1 4.31Å; I336-V452 HydrophobicContact CG1-CG2 4.09Å; I336-V452 HydrophobicContact CG2-CG1 4.12Å; I336-L455 HydrophobicContact CD1-CB 4.13Å; I336-K456 HydrophobicContact CG2-CB 4.42Å
337	H	96.9	Very high	96.3	Very high	102 Å²	102	60.4 Å²	60.4	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-34.4	177.6	-75.7	-52.5	0	0	0	113.2	V333 K334 E335 G341	V333-H337 PolarHBondContact O-CD2 3.4Å; V333-H337 PolarHBondContact O-N 3.17Å; K334-H337 PolarHBondContact O-N 2.93Å; E335-H337 VanDerWaalsContact C-N 3.33Å; E335-H337 PolarHBondContact O-N 3.39Å; H337-G341 WeakPolarHBondContact O-CA 3.47Å; H337-G341 PolarHBondContact O-N 3.36Å
338	T	97.8	Very high	96.3	Very high	113 Å²	113	60.2 Å²	60.2	69%	0.693	31%	0.309	S	S	*	.	H	α-helix	trans	-75.2	-44.3	-178.1	-55.8	0	0	0	0	111.9	K334 E335 I336	K334-T338 WeakPolarHBondContact O-CB 3.15Å; K334-T338 PolarHBondContact O-N 3.48Å; K334-T338 VanDerWaalsContact O-N 3.09Å; K334-T338 PolarHBondContact O-OG1 2.96Å; E335-T338 PolarHBondContact O-N 2.88Å; I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 PolarHBondContact O-N 3.05Å
339	V	97.9	Very high	96.3	Very high	35 Å²	35	59.6 Å²	59.6	21%	0.212	31%	0.306	C	S	.	.	H	α-helix	trans	-87	-47.9	-173.7	176.1	0	0	0	0	111.3	E335 R343 D349 N352 L353	E335-V339 HydrophobicContact CG-CG2 4.09Å; E335-V339 PolarHBondContact O-N 3.28Å; V339-R343 PolarHBondContact O-NH2 3.43Å; V339-D349 HydrophobicContact CG1-CB 4.11Å; V339-N352 HydrophobicContact CG1-CB 3.73Å; V339-N352 HydrophobicContact CG2-CB 4.18Å; V339-L353 HydrophobicContact CB-CD2 4.21Å; V339-L353 HydrophobicContact CG1-CD2 4.25Å; V339-L353 HydrophobicContact CG1-CG 4.44Å
340	V	97.1	Very high	96.3	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.03	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-43.8	-171.7	-173.5	0	0	0	0	110.6	I336 R343 D349 L353 V452	I336-V340 WeakPolarHBondContact O-CA 3.4Å; I336-V340 WeakPolarHBondContact O-CB 3.49Å; I336-V340 PolarHBondContact O-N 3.49Å; V340-R343 HydrophobicContact CG1-CG 4.46Å; V340-R343 WeakPolarHBondContact CG1-O 3.41Å; V340-R343 WeakPolarHBondContact O-CG 3.25Å; V340-R343 PolarHBondContact O-NE 3.49Å; V340-D349 HydrophobicContact CG2-CB 4.26Å; V340-L353 HydrophobicContact CG2-CD2 4.27Å; V340-V452 HydrophobicContact CG2-CG1 4.35Å
341	G	94.1	Very high	96.2	Very high	18 Å²	18	62.3 Å²	62.3	19%	0.186	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-139.7	-175.5	0	0	0	0	0	112	I336 H337 K456	I336-G341 PolarHBondContact O-N 3.02Å; H337-G341 WeakPolarHBondContact O-CA 3.47Å; H337-G341 PolarHBondContact O-N 3.36Å; G341-K456 VanDerWaalsContact O-CE 3.24Å; G341-K456 WeakPolarHBondContact O-CE 3.37Å; G341-K456 PolarHBondContact O-NZ 3.4Å
342	D	91	Very high	96.2	Very high	138 Å²	138	65.2 Å²	65.2	74%	0.738	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.6	-176	-68.9	-33.8	0	0	0	114.4	K456	D342-K456 PolarHBondContact O-NZ 3.44Å
343	R	94.7	Very high	96.2	Very high	100 Å²	100	65.1 Å²	65.1	38%	0.377	33%	0.33	S	S	.	.	S	Bend	trans	-75.8	170.3	176.1	57	169.9	-175.1	100.4	-3.7	113.4	V339 V340 D349 K456	V339-R343 PolarHBondContact O-NH2 3.43Å; V340-R343 HydrophobicContact CG1-CG 4.46Å; V340-R343 WeakPolarHBondContact CG1-O 3.41Å; V340-R343 WeakPolarHBondContact O-CG 3.25Å; V340-R343 PolarHBondContact O-NE 3.49Å; R343-D349 IonicContact CZ-OD1 2.74Å; R343-D349 IonicContact CZ-OD2 2.73Å; R343-D349 IonicContact NH1-OD1 2.79Å; R343-D349 PolarHBondContact NH1-OD1 3.01Å; R343-D349 IonicContact NH1-OD2 3.94Å; R343-D349 PolarHBondContact NH1-OD2 2.8Å; R343-D349 VanDerWaalsContact NH2-CG 3.32Å; R343-D349 IonicContact NH2-OD1 3.02Å; R343-D349 PolarHBondContact NH2-OD1 3Å; R343-D349 IonicContact NH2-OD2 3.53Å; R343-D349 PolarHBondContact NH2-OD2 3.03Å; R343-K456 PolarHBondContact O-NZ 3.02Å
344	D	93.3	Very high	96.2	Very high	85 Å²	85	68.8 Å²	68.8	46%	0.455	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71.4	151.7	173.5	-73.3	-8.3	0	0	0	111.7	E165 K169	E165-D344 WeakPolarHBondContact OE1-CA 3.48Å; E165-D344 WeakPolarHBondContact OE1-CB 3.32Å; E165-D344 VanDerWaalsContact OE1-CG 3.26Å; K169-D344 IonicContact NZ-OD1 3.96Å; K169-D344 PolarHBondContact NZ-OD1 2.96Å; K169-D344 IonicContact NZ-OD2 3.45Å; K169-D344 PolarHBondContact NZ-OD2 3.44Å
345	I	95.6	Very high	96.2	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-74.2	134	-178.7	-171	176.1	0	0	0	110.2	V161 E165 D349 I350 L353 V449 V452	V161-I345 HydrophobicContact CG1-CG2 4.36Å; E165-I345 HydrophobicContact CB-CG2 4.32Å; E165-I345 HydrophobicContact CG-CG2 4.09Å; E165-I345 PolarHBondContact OE1-N 2.83Å; I345-D349 HydrophobicContact CG1-CB 4.2Å; I345-I350 HydrophobicContact CD1-CD1 3.75Å; I345-I350 HydrophobicContact CG1-CD1 4.3Å; I345-L353 HydrophobicContact CD1-CD1 3.9Å; I345-V449 HydrophobicContact CD1-CG2 4.06Å; I345-V449 HydrophobicContact CG2-CB 4.49Å; I345-V449 HydrophobicContact CG2-CG1 4.05Å; I345-V449 HydrophobicContact CG2-CG2 4.19Å; I345-V452 HydrophobicContact CB-CG1 4.43Å; I345-V452 HydrophobicContact CD1-CB 3.98Å; I345-V452 HydrophobicContact CD1-CG1 4.05Å; I345-V452 HydrophobicContact CD1-CG2 3.96Å
346	Q	95.1	Very high	96.2	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	32%	0.32	S	S	.	.			trans	-120.1	163.2	-179.3	-63.2	-176.7	-11.8	0	0	111	D348 D349	Q346-D348 PolarHBondContact O-N 3.11Å; Q346-D349 PolarHBondContact N-OD2 3.13Å; Q346-D349 WeakPolarHBondContact O-CB 3.3Å; Q346-D349 PolarHBondContact O-N 2.85Å
347	I	93.9	Very high	96.3	Very high	51 Å²	51	64.6 Å²	64.6	26%	0.262	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.2	-35	-178.8	-174.6	62.2	0	0	0	112.6	L157 V158 V161 D349 I350	L157-I347 HydrophobicContact CD2-CD1 3.91Å; V158-I347 HydrophobicContact CG1-CB 4.28Å; V158-I347 HydrophobicContact CG1-CG1 4.34Å; V158-I347 HydrophobicContact CG1-CG2 4.15Å; V158-I347 HydrophobicContact CG2-CG1 4.3Å; V161-I347 HydrophobicContact CG2-CB 4.21Å; V161-I347 HydrophobicContact CG2-CD1 3.71Å; I347-D349 PolarHBondContact O-N 3.35Å; I347-I350 HydrophobicContact CD1-CG1 4.28Å; I347-I350 WeakPolarHBondContact O-CB 3.42Å; I347-I350 WeakPolarHBondContact O-CG1 3.44Å; I347-I350 PolarHBondContact O-N 2.96Å
348	D	95.3	Very high	96.3	Very high	118 Å²	118	61 Å²	61	63%	0.631	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19	-179.1	-63.7	-18.5	0	0	0	112.5	Q346 N352	Q346-D348 PolarHBondContact O-N 3.11Å; D348-N352 PolarHBondContact O-ND2 2.81Å; D348-N352 VanDerWaalsContact O-ND2 3.13Å
349	D	97.1	Very high	96.4	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.043	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-76.5	-30.1	177	-56.9	-33	0	0	0	112.1	V339 V340 R343 I345 Q346 I347 Q351 N352 L353	V339-D349 HydrophobicContact CG1-CB 4.11Å; V340-D349 HydrophobicContact CG2-CB 4.26Å; R343-D349 IonicContact CZ-OD1 2.74Å; R343-D349 IonicContact CZ-OD2 2.73Å; R343-D349 IonicContact NH1-OD1 2.79Å; R343-D349 PolarHBondContact NH1-OD1 3.01Å; R343-D349 IonicContact NH1-OD2 3.94Å; R343-D349 PolarHBondContact NH1-OD2 2.8Å; R343-D349 VanDerWaalsContact NH2-CG 3.32Å; R343-D349 IonicContact NH2-OD1 3.02Å; R343-D349 PolarHBondContact NH2-OD1 3Å; R343-D349 IonicContact NH2-OD2 3.53Å; R343-D349 PolarHBondContact NH2-OD2 3.03Å; I345-D349 HydrophobicContact CG1-CB 4.2Å; Q346-D349 PolarHBondContact N-OD2 3.13Å; Q346-D349 WeakPolarHBondContact O-CB 3.3Å; Q346-D349 PolarHBondContact O-N 2.85Å; I347-D349 PolarHBondContact O-N 3.35Å; D349-Q351 PolarHBondContact O-N 3.27Å; D349-Q351 VanDerWaalsContact O-N 3.11Å; D349-N352 PolarHBondContact O-N 3.18Å; D349-L353 WeakPolarHBondContact O-CG 3.48Å; D349-L353 PolarHBondContact O-N 2.87Å
350	I	96.1	Very high	96.4	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.077	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.3	-169.9	-60.3	-60.1	0	0	0	111.5	V161 I345 I347 N352 V445 K448 V449	V161-I350 HydrophobicContact CG2-CG1 4.36Å; I345-I350 HydrophobicContact CD1-CD1 3.75Å; I345-I350 HydrophobicContact CG1-CD1 4.3Å; I347-I350 HydrophobicContact CD1-CG1 4.28Å; I347-I350 WeakPolarHBondContact O-CB 3.42Å; I347-I350 WeakPolarHBondContact O-CG1 3.44Å; I347-I350 PolarHBondContact O-N 2.96Å; I350-N352 VanDerWaalsContact C-N 3.35Å; I350-V445 HydrophobicContact CD1-CG1 4.42Å; I350-V445 HydrophobicContact CG2-CG2 4.19Å; I350-K448 HydrophobicContact CD1-CB 4.27Å; I350-K448 HydrophobicContact CG2-CD 3.75Å; I350-K448 PolarHBondContact O-NZ 3.44Å; I350-V449 HydrophobicContact CD1-CG2 4.11Å
351	Q	95.7	Very high	96.5	Very high	170 Å²	170	54.8 Å²	54.8	79%	0.794	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.4	179.8	-62.9	-175.3	5	0	0	113.1	D349	D349-Q351 PolarHBondContact O-N 3.27Å; D349-Q351 VanDerWaalsContact O-N 3.11Å
352	N	97.9	Very high	96.7	Very high	100 Å²	100	54 Å²	54	54%	0.535	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-13.1	-177.2	-64.4	-49.8	0	0	0	113.2	V339 D348 D349 I350 K354	V339-N352 HydrophobicContact CG1-CB 3.73Å; V339-N352 HydrophobicContact CG2-CB 4.18Å; D348-N352 PolarHBondContact O-ND2 2.81Å; D348-N352 VanDerWaalsContact O-ND2 3.13Å; D349-N352 PolarHBondContact O-N 3.18Å; I350-N352 VanDerWaalsContact C-N 3.35Å; N352-K354 VanDerWaalsContact C-N 3.29Å; N352-K354 PolarHBondContact O-N 2.85Å
353	L	98.2	Very high	97.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.			trans	-81.2	67.7	176.4	-66.7	169.1	0	0	0	111.6	E335 V339 V340 I345 D349 V356 E357 V452	E335-L353 HydrophobicContact CG-CD2 4.17Å; E335-L353 WeakPolarHBondContact OE2-CA 3.44Å; V339-L353 HydrophobicContact CB-CD2 4.21Å; V339-L353 HydrophobicContact CG1-CD2 4.25Å; V339-L353 HydrophobicContact CG1-CG 4.44Å; V340-L353 HydrophobicContact CG2-CD2 4.27Å; I345-L353 HydrophobicContact CD1-CD1 3.9Å; D349-L353 WeakPolarHBondContact O-CG 3.48Å; D349-L353 PolarHBondContact O-N 2.87Å; L353-V356 HydrophobicContact CB-CB 4.19Å; L353-V356 HydrophobicContact CB-CG2 4.45Å; L353-V356 HydrophobicContact CD2-CG2 4.43Å; L353-E357 WeakPolarHBondContact O-CB 3.15Å; L353-E357 PolarHBondContact O-N 3.44Å; L353-V452 HydrophobicContact CD1-CG2 3.67Å; L353-V452 HydrophobicContact CD2-CG2 4.26Å
354	K	98	Very high	97.3	Very high	96 Å²	96	43.6 Å²	43.6	42%	0.417	22%	0.219	S	C	.	.	H	α-helix	trans	-77.5	-39.1	-171.5	-172.5	64.3	-165.3	171.6	0	113.5	E335 N352 E357 N358	E335-K354 VanDerWaalsContact CD-N 3.31Å; E335-K354 PolarHBondContact OE1-N 2.7Å; E335-K354 PolarHBondContact OE2-N 3.19Å; N352-K354 VanDerWaalsContact C-N 3.29Å; N352-K354 PolarHBondContact O-N 2.85Å; K354-E357 IonicContact NZ-OE1 3.78Å; K354-E357 PolarHBondContact NZ-OE1 3.26Å; K354-E357 WeakPolarHBondContact O-CB 3.41Å; K354-E357 PolarHBondContact O-N 3.1Å; K354-N358 WeakPolarHBondContact CE-OD1 3.45Å; K354-N358 WeakPolarHBondContact O-CB 3.43Å; K354-N358 PolarHBondContact O-N 2.91Å
355	V	98.6	Very high	97.6	Very high	43 Å²	43	39.5 Å²	39.5	26%	0.261	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-45.6	174.5	179.4	0	0	0	0	109.7	A331 I332 E335 E357 N358 F359 L415	A331-V355 HydrophobicContact CB-CG1 3.97Å; I332-V355 HydrophobicContact CG1-CG1 4.02Å; E335-V355 HydrophobicContact CB-CB 4.32Å; E335-V355 HydrophobicContact CB-CG2 4.43Å; E335-V355 WeakPolarHBondContact OE1-CG2 3.42Å; E335-V355 PolarHBondContact OE1-N 3.15Å; E335-V355 WeakPolarHBondContact OE2-CA 3.43Å; E335-V355 WeakPolarHBondContact OE2-CB 3.44Å; E335-V355 PolarHBondContact OE2-N 3.34Å; V355-E357 VanDerWaalsContact C-N 3.32Å; V355-E357 PolarHBondContact O-N 3.03Å; V355-N358 PolarHBondContact O-N 3.15Å; V355-F359 WeakPolarHBondContact O-CB 3.11Å; V355-F359 PolarHBondContact O-N 2.96Å; V355-L415 HydrophobicContact CG1-CD1 4.26Å
356	V	98.7	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-42.8	174.5	179.6	0	0	0	0	111	I332 E335 L353 F359 I360 K448 L451	I332-V356 HydrophobicContact CG1-CG2 4.38Å; I332-V356 HydrophobicContact CG2-CG2 3.78Å; E335-V356 WeakPolarHBondContact OE2-CG2 3.49Å; E335-V356 PolarHBondContact OE2-N 3.18Å; L353-V356 HydrophobicContact CB-CB 4.19Å; L353-V356 HydrophobicContact CB-CG2 4.45Å; L353-V356 HydrophobicContact CD2-CG2 4.43Å; V356-F359 PolarHBondContact O-N 3.08Å; V356-I360 HydrophobicContact CG1-CD1 3.91Å; V356-I360 HydrophobicContact CG1-CG1 4.46Å; V356-I360 VanDerWaalsContact O-CG1 3.3Å; V356-I360 WeakPolarHBondContact O-CG1 3.39Å; V356-I360 PolarHBondContact O-N 3.43Å; V356-K448 HydrophobicContact CG1-CB 4.49Å; V356-K448 HydrophobicContact CG1-CG 3.95Å; V356-L451 HydrophobicContact CG1-CD1 4.25Å
357	E	98.7	Very high	97.8	Very high	47 Å²	47	36 Å²	36	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-47.3	176.1	-172.8	174.3	102.3	0	0	112.8	L353 K354 V355 F359 I360 N361 M444 K448	L353-E357 WeakPolarHBondContact O-CB 3.15Å; L353-E357 PolarHBondContact O-N 3.44Å; K354-E357 IonicContact NZ-OE1 3.78Å; K354-E357 PolarHBondContact NZ-OE1 3.26Å; K354-E357 WeakPolarHBondContact O-CB 3.41Å; K354-E357 PolarHBondContact O-N 3.1Å; V355-E357 VanDerWaalsContact C-N 3.32Å; V355-E357 PolarHBondContact O-N 3.03Å; E357-F359 VanDerWaalsContact C-N 3.31Å; E357-F359 PolarHBondContact O-N 3.2Å; E357-I360 PolarHBondContact O-N 3.44Å; E357-N361 WeakPolarHBondContact O-CB 3.47Å; E357-N361 PolarHBondContact O-N 3.12Å; E357-N361 PolarHBondContact O-ND2 3.24Å; E357-M444 HydrophobicContact CG-CE 3.93Å; E357-K448 IonicContact OE2-NZ 3.86Å; E357-K448 PolarHBondContact OE2-NZ 2.95Å
358	N	98.6	Very high	98.1	Very high	25 Å²	25	34.1 Å²	34.1	13%	0.134	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-39.3	178.2	-78.9	-0.6	0	0	0	111.2	K354 V355 N361 E362 F418	K354-N358 WeakPolarHBondContact CE-OD1 3.45Å; K354-N358 WeakPolarHBondContact O-CB 3.43Å; K354-N358 PolarHBondContact O-N 2.91Å; V355-N358 PolarHBondContact O-N 3.15Å; N358-N361 PolarHBondContact O-N 3Å; N358-E362 WeakPolarHBondContact O-CB 3.23Å; N358-E362 PolarHBondContact O-N 3.46Å; N358-F418 HydrophobicContact CB-CB 4.17Å; N358-F418 PolarHBondContact ND2-O 3.19Å
359	F	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-45.7	172.6	166.1	-101.1	0	0	0	112.4	M318 L321 I322 V328 I332 V355 V356 E357 N361 E362 S363 F413 L415 L451	M318-F359 HydrophobicContact CB-CE1 3.82Å; M318-F359 HydrophobicContact CB-CZ 3.72Å; M318-F359 HydrophobicContact CG-CE1 3.91Å; M318-F359 HydrophobicContact CG-CZ 4Å; M318-F359 WeakPolarHBondContact O-CZ 3.46Å; M318-F359 HydrophobicContact SD-CE1 4.4Å; L321-F359 HydrophobicContact CB-CE2 4.22Å; I322-F359 HydrophobicContact CD1-CE1 3.68Å; I322-F359 HydrophobicContact CD1-CE2 4.35Å; I322-F359 HydrophobicContact CD1-CZ 3.51Å; I322-F359 HydrophobicContact CG1-CE1 4.05Å; I322-F359 HydrophobicContact CG1-CE2 3.81Å; I322-F359 HydrophobicContact CG1-CZ 3.44Å; I322-F359 VanDerWaalsContact CG1-CZ 3.44Å; V328-F359 HydrophobicContact CG1-CD2 3.64Å; V328-F359 HydrophobicContact CG1-CE2 4.25Å; V328-F359 HydrophobicContact CG1-CG 4.37Å; I332-F359 HydrophobicContact CD1-CB 3.96Å; I332-F359 HydrophobicContact CD1-CD1 3.85Å; I332-F359 HydrophobicContact CD1-CD2 4.05Å; I332-F359 HydrophobicContact CD1-CE1 4.42Å; I332-F359 HydrophobicContact CD1-CG 3.65Å; V355-F359 WeakPolarHBondContact O-CB 3.11Å; V355-F359 PolarHBondContact O-N 2.96Å; V356-F359 PolarHBondContact O-N 3.08Å; E357-F359 VanDerWaalsContact C-N 3.31Å; E357-F359 PolarHBondContact O-N 3.2Å; F359-N361 VanDerWaalsContact C-N 3.35Å; F359-N361 PolarHBondContact O-N 3.28Å; F359-E362 PolarHBondContact O-N 3.06Å; F359-S363 WeakPolarHBondContact CE2-OG 3.33Å; F359-S363 WeakPolarHBondContact CZ-OG 3.46Å; F359-S363 VanDerWaalsContact O-CB 3.28Å; F359-S363 WeakPolarHBondContact O-CB 3.4Å; F359-S363 PolarHBondContact O-N 3.33Å; F359-S363 PolarHBondContact O-OG 3.4Å; F359-F413 AromaticContact CD2-CZ 3.85Å; F359-F413 HydrophobicContact CD2-CZ 3.85Å; F359-F413 AromaticContact CE2-CZ 3.79Å; F359-F413 HydrophobicContact CE2-CZ 3.79Å; F359-L415 HydrophobicContact CB-CD2 4.16Å; F359-L451 HydrophobicContact CD1-CD1 3.98Å; F359-L451 HydrophobicContact CE1-CD1 3.77Å; F359-L451 HydrophobicContact CE1-CD2 4.37Å
360	I	98.9	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-47.7	177.2	-73.6	164.6	0	0	0	110.3	M318 V356 E357 S363 M364 M444 M447 K448 L451	M318-I360 HydrophobicContact CE-CB 4.12Å; M318-I360 HydrophobicContact CE-CG1 4.17Å; M318-I360 HydrophobicContact CE-CG2 3.79Å; M318-I360 HydrophobicContact SD-CG1 4.25Å; V356-I360 HydrophobicContact CG1-CD1 3.91Å; V356-I360 HydrophobicContact CG1-CG1 4.46Å; V356-I360 VanDerWaalsContact O-CG1 3.3Å; V356-I360 WeakPolarHBondContact O-CG1 3.39Å; V356-I360 PolarHBondContact O-N 3.43Å; E357-I360 PolarHBondContact O-N 3.44Å; I360-S363 PolarHBondContact O-N 2.97Å; I360-M364 HydrophobicContact CG2-CE 3.87Å; I360-M364 HydrophobicContact CG2-SD 4.4Å; I360-M364 WeakPolarHBondContact O-CG 2.93Å; I360-M364 PolarHBondContact O-N 2.98Å; I360-M444 HydrophobicContact CB-CE 4.16Å; I360-M444 HydrophobicContact CD1-CE 4.41Å; I360-M444 HydrophobicContact CG2-CE 3.6Å; I360-M444 HydrophobicContact CG2-SD 3.58Å; I360-M444 VanDerWaalsContact CG2-SD 3.58Å; I360-M447 HydrophobicContact CD1-CB 3.86Å; I360-M447 HydrophobicContact CG1-CB 4.39Å; I360-M447 HydrophobicContact CG2-CE 3.63Å; I360-M447 HydrophobicContact CG2-SD 4.11Å; I360-K448 HydrophobicContact CD1-CB 4.47Å; I360-K448 HydrophobicContact CD1-CG 3.58Å; I360-L451 HydrophobicContact CD1-CD1 3.99Å; I360-L451 HydrophobicContact CG1-CD1 3.69Å
361	N	98.8	Very high	98.4	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-46.2	179.8	-72.6	-33.5	0	0	0	112.1	E357 N358 F359 S363 M364 R365 F418 F427	E357-N361 WeakPolarHBondContact O-CB 3.47Å; E357-N361 PolarHBondContact O-N 3.12Å; E357-N361 PolarHBondContact O-ND2 3.24Å; N358-N361 PolarHBondContact O-N 3Å; F359-N361 VanDerWaalsContact C-N 3.35Å; F359-N361 PolarHBondContact O-N 3.28Å; N361-S363 VanDerWaalsContact C-N 3.33Å; N361-S363 PolarHBondContact O-N 3.17Å; N361-M364 PolarHBondContact O-N 2.84Å; N361-R365 WeakPolarHBondContact O-CB 3.31Å; N361-R365 PolarHBondContact O-N 3.47Å; N361-F418 HydrophobicContact CB-CD1 3.91Å; N361-F418 HydrophobicContact CB-CD2 4.45Å; N361-F418 HydrophobicContact CB-CE1 3.57Å; N361-F418 HydrophobicContact CB-CE2 4.15Å; N361-F418 HydrophobicContact CB-CG 4.35Å; N361-F418 HydrophobicContact CB-CZ 3.7Å; N361-F427 HydrophobicContact CB-CE1 3.86Å; N361-F427 HydrophobicContact CB-CZ 4.15Å; N361-F427 WeakPolarHBondContact O-CZ 3.5Å
362	E	98.8	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-38	177.8	180	60.7	-173.9	0	0	111.9	N358 F359 R365 Y366 F413 T414 L415 N417 F418	N358-E362 WeakPolarHBondContact O-CB 3.23Å; N358-E362 PolarHBondContact O-N 3.46Å; F359-E362 PolarHBondContact O-N 3.06Å; E362-R365 PolarHBondContact O-N 2.9Å; E362-R365 IonicContact OE1-CZ 2.77Å; E362-R365 IonicContact OE1-NE 3.39Å; E362-R365 PolarHBondContact OE1-NE 3.3Å; E362-R365 IonicContact OE1-NH2 3.41Å; E362-R365 PolarHBondContact OE1-NH2 3.45Å; E362-R365 IonicContact OE2-CZ 3.74Å; E362-R365 IonicContact OE2-NE 2.69Å; E362-R365 PolarHBondContact OE2-NE 3.44Å; E362-R365 IonicContact OE2-NH2 3.45Å; E362-Y366 VanDerWaalsContact O-CB 3.25Å; E362-Y366 WeakPolarHBondContact O-CB 3.41Å; E362-Y366 PolarHBondContact O-N 3.06Å; E362-F413 HydrophobicContact CB-CE2 4.22Å; E362-F413 HydrophobicContact CG-CD2 3.69Å; E362-F413 HydrophobicContact CG-CE2 3.6Å; E362-F413 HydrophobicContact CG-CG 4.45Å; E362-F413 HydrophobicContact CG-CZ 4.32Å; E362-T414 WeakPolarHBondContact CG-O 3.22Å; E362-T414 PolarHBondContact OE1-N 2.99Å; E362-T414 VanDerWaalsContact OE1-O 3.14Å; E362-L415 HydrophobicContact CB-CD2 3.97Å; E362-L415 HydrophobicContact CG-CD2 4.27Å; E362-N417 PolarHBondContact OE1-ND2 2.81Å; E362-N417 WeakPolarHBondContact OE2-CB 3.37Å; E362-N417 PolarHBondContact OE2-ND2 3.12Å; E362-F418 HydrophobicContact CB-CD2 3.88Å; E362-F418 HydrophobicContact CB-CE2 4.03Å; E362-F418 WeakPolarHBondContact OE2-CD2 3.31Å; E362-F418 WeakPolarHBondContact OE2-CE2 3.32Å
363	S	98.8	Very high	98.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-46.4	175.7	-60.4	0	0	0	0	111.6	F359 I360 N361 R365 Y366 Q367	F359-S363 WeakPolarHBondContact CE2-OG 3.33Å; F359-S363 WeakPolarHBondContact CZ-OG 3.46Å; F359-S363 VanDerWaalsContact O-CB 3.28Å; F359-S363 WeakPolarHBondContact O-CB 3.4Å; F359-S363 PolarHBondContact O-N 3.33Å; F359-S363 PolarHBondContact O-OG 3.4Å; I360-S363 PolarHBondContact O-N 2.97Å; N361-S363 VanDerWaalsContact C-N 3.33Å; N361-S363 PolarHBondContact O-N 3.17Å; S363-R365 VanDerWaalsContact C-N 3.33Å; S363-R365 PolarHBondContact O-N 3.06Å; S363-Y366 PolarHBondContact O-N 3.31Å; S363-Q367 CarbonylContact O-C 3.5Å; S363-Q367 WeakPolarHBondContact O-CA 3.44Å; S363-Q367 PolarHBondContact O-N 3.43Å
364	M	98.8	Very high	98.6	Very high	17 Å²	17	19.3 Å²	19.3	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-30.9	176.7	-67	-176.1	-56.9	0	0	112.9	T314 M318 I360 N361 P368 P429 F430 M444 M447	T314-M364 HydrophobicContact CG2-CG 4.17Å; M318-M364 HydrophobicContact CE-CG 4.01Å; I360-M364 HydrophobicContact CG2-CE 3.87Å; I360-M364 HydrophobicContact CG2-SD 4.4Å; I360-M364 WeakPolarHBondContact O-CG 2.93Å; I360-M364 PolarHBondContact O-N 2.98Å; N361-M364 PolarHBondContact O-N 2.84Å; M364-P368 VanDerWaalsContact O-CA 3.28Å; M364-P368 WeakPolarHBondContact O-CA 3.12Å; M364-P368 WeakPolarHBondContact O-CB 3.22Å; M364-P429 HydrophobicContact CB-CB 4.23Å; M364-P429 HydrophobicContact CE-CB 3.85Å; M364-P429 HydrophobicContact CE-CG 3.92Å; M364-P429 HydrophobicContact SD-CB 4.11Å; M364-F430 HydrophobicContact CE-CE2 3.81Å; M364-F430 HydrophobicContact CE-CZ 4.01Å; M364-F430 HydrophobicContact SD-CE1 4.31Å; M364-F430 HydrophobicContact SD-CE2 4.02Å; M364-F430 HydrophobicContact SD-CZ 3.6Å; M364-F430 VanDerWaalsContact SD-CZ 3.6Å; M364-M444 HydrophobicContact CE-SD 4.09Å; M364-M447 HydrophobicContact SD-CE 4.09Å
365	R	98.7	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.2	-48.4	175.3	-171.3	-154.8	64.5	79.3	-0.9	111	N361 E362 S363 H402 F407 P410 E412 N417 F418 F427	N361-R365 WeakPolarHBondContact O-CB 3.31Å; N361-R365 PolarHBondContact O-N 3.47Å; E362-R365 PolarHBondContact O-N 2.9Å; E362-R365 IonicContact OE1-CZ 2.77Å; E362-R365 IonicContact OE1-NE 3.39Å; E362-R365 PolarHBondContact OE1-NE 3.3Å; E362-R365 IonicContact OE1-NH2 3.41Å; E362-R365 PolarHBondContact OE1-NH2 3.45Å; E362-R365 IonicContact OE2-CZ 3.74Å; E362-R365 IonicContact OE2-NE 2.69Å; E362-R365 PolarHBondContact OE2-NE 3.44Å; E362-R365 IonicContact OE2-NH2 3.45Å; S363-R365 VanDerWaalsContact C-N 3.33Å; S363-R365 PolarHBondContact O-N 3.06Å; R365-H402 HydrophobicContact CG-CB 3.72Å; R365-H402 PolarHBondContact NH1-O 2.96Å; R365-F407 VanDerWaalsContact CD-CE1 3.47Å; R365-F407 VanDerWaalsContact CD-CE2 3.47Å; R365-F407 HydrophobicContact CG-CD2 4.27Å; R365-F407 HydrophobicContact CG-CE1 4.41Å; R365-F407 HydrophobicContact CG-CE2 3.82Å; R365-F407 HydrophobicContact CG-CZ 3.87Å; R365-P410 PolarHBondContact NH1-O 3.23Å; R365-E412 PolarHBondContact NH2-O 2.67Å; R365-N417 PolarHBondContact NH2-ND2 3.27Å; R365-F418 HydrophobicContact CB-CE2 4.2Å; R365-F418 HydrophobicContact CB-CZ 4.36Å; R365-F427 HydrophobicContact CB-CD2 4.37Å; R365-F427 HydrophobicContact CB-CE2 3.64Å; R365-F427 HydrophobicContact CB-CZ 4.29Å; R365-F427 HydrophobicContact CG-CD2 4.29Å; R365-F427 HydrophobicContact CG-CE2 4.05Å
366	Y	98.5	Very high	98.7	Very high	19 Å²	19	15.8 Å²	15.8	8%	0.075	8%	0.08	C	C	.	.	H	α-helix	trans	-78.4	-49	-173.9	-175.4	-106.1	0	0	0	111.7	L321 E362 S363 P368 R403 F413 I468 E469	L321-Y366 HydrophobicContact CD2-CD1 4.3Å; E362-Y366 VanDerWaalsContact O-CB 3.25Å; E362-Y366 WeakPolarHBondContact O-CB 3.41Å; E362-Y366 PolarHBondContact O-N 3.06Å; S363-Y366 PolarHBondContact O-N 3.31Å; Y366-P368 WeakPolarHBondContact O-CD 3.34Å; Y366-R403 PolarHBondContact O-NH2 3.41Å; Y366-F413 HydrophobicContact CD1-CB 3.77Å; Y366-F413 AromaticContact CD1-CD2 3.99Å; Y366-F413 HydrophobicContact CD1-CD2 3.99Å; Y366-F413 HydrophobicContact CD1-CG 4.3Å; Y366-F413 HydrophobicContact CD2-CB 4.18Å; Y366-F413 HydrophobicContact CE1-CB 3.86Å; Y366-F413 HydrophobicContact CE2-CB 4.28Å; Y366-F413 HydrophobicContact CG-CB 3.93Å; Y366-F413 HydrophobicContact CG-CD2 4.08Å; Y366-I468 HydrophobicContact CE1-CG2 4.28Å; Y366-E469 VanDerWaalsContact CE1-OE1 3.27Å; Y366-E469 WeakPolarHBondContact CE1-OE1 3.34Å; Y366-E469 VanDerWaalsContact CZ-OE1 3.32Å; Y366-E469 PolarHBondContact OH-OE1 3.03Å
367	Q	98.1	Very high	98.7	Very high	19 Å²	19	15.8 Å²	15.8	9%	0.089	8%	0.08	C	C	.	.	S	Bend	trans	-121.4	77.5	176	-166.8	79	-56.8	0	0	111.4	F317 S363 I468	F317-Q367 HydrophobicContact CB-CG 4.29Å; F317-Q367 HydrophobicContact CD1-CG 4.39Å; F317-Q367 HydrophobicContact CD2-CB 4.4Å; F317-Q367 HydrophobicContact CD2-CG 3.47Å; F317-Q367 VanDerWaalsContact CD2-CG 3.47Å; F317-Q367 HydrophobicContact CE2-CG 3.78Å; F317-Q367 HydrophobicContact CG-CG 3.81Å; F317-Q367 HydrophobicContact CZ-CG 4.38Å; S363-Q367 CarbonylContact O-C 3.5Å; S363-Q367 WeakPolarHBondContact O-CA 3.44Å; S363-Q367 PolarHBondContact O-N 3.43Å; Q367-I468 HydrophobicContact CB-CD1 3.87Å; Q367-I468 HydrophobicContact CG-CD1 3.77Å; Q367-I468 HydrophobicContact CG-CG1 4.11Å; Q367-I468 PolarHBondContact NE2-O 2.87Å
368	P	98.3	Very high	98.7	Very high	12 Å²	12	15.5 Å²	15.5	8%	0.078	8%	0.079	C	C	.	.			trans	-68.1	140	178.8	27.2	-34.2	0	0	0	111.5	M364 Y366 D371 L479	M364-P368 VanDerWaalsContact O-CA 3.28Å; M364-P368 WeakPolarHBondContact O-CA 3.12Å; M364-P368 WeakPolarHBondContact O-CB 3.22Å; Y366-P368 WeakPolarHBondContact O-CD 3.34Å; P368-D371 HydrophobicContact CB-CB 3.97Å; P368-D371 HydrophobicContact CG-CB 3.66Å; P368-L479 WeakPolarHBondContact O-CB 3.27Å; P368-L479 VanDerWaalsContact O-CD2 3.25Å; P368-L479 WeakPolarHBondContact O-CD2 3.49Å
369	V	98.6	Very high	98.6	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.03	10%	0.095	C	C	.	.	S	Bend	trans	-83.7	-45.4	164	175	0	0	0	0	110.4	V313 T314 F317 S478 L479	V313-V369 HydrophobicContact CB-CG1 4.17Å; V313-V369 HydrophobicContact CB-CG2 3.93Å; V313-V369 HydrophobicContact CG1-CG1 4.21Å; V313-V369 HydrophobicContact CG1-CG2 3.67Å; T314-V369 VanDerWaalsContact OG1-CG2 3.28Å; T314-V369 WeakPolarHBondContact OG1-CG2 3.43Å; F317-V369 HydrophobicContact CD2-CG2 3.77Å; F317-V369 HydrophobicContact CE2-CG2 3.85Å; V369-S478 WeakPolarHBondContact O-CA 3.21Å; V369-S478 VanDerWaalsContact O-CB 3.3Å; V369-S478 WeakPolarHBondContact O-CB 3.31Å; V369-L479 WeakPolarHBondContact CA-O 3.41Å; V369-L479 PolarHBondContact O-N 3.16Å
370	V	98.5	Very high	98.6	Very high	62 Å²	62	24.1 Å²	24.1	38%	0.376	13%	0.125	S	C	.	.	S	Bend	trans	-98.6	89.5	172.9	-176.3	0	0	0	0	107.7	T310 I398	T310-V370 HydrophobicContact CG2-CG2 4.23Å; V370-I398 WeakPolarHBondContact O-CD1 3.43Å
371	D	98.4	Very high	98.6	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.027	14%	0.138	C	C	.	.			trans	-91.5	-8.5	-177.4	73.9	-26.2	0	0	0	113.2	P368 N397 I398 G399 N475	P368-D371 HydrophobicContact CB-CB 3.97Å; P368-D371 HydrophobicContact CG-CB 3.66Å; D371-N397 CarbonylContact O-C 3.51Å; D371-I398 VanDerWaalsContact O-CG1 3.24Å; D371-I398 WeakPolarHBondContact O-CG1 3.49Å; D371-I398 PolarHBondContact O-N 3.42Å; D371-G399 PolarHBondContact O-N 2.91Å; D371-N475 PolarHBondContact OD2-ND2 2.89Å; D371-N475 PolarHBondContact OD2-OD1 3.21Å
372	L	98.7	Very high	98.5	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	16%	0.157	C	C	.	.			trans	-139.1	153.3	179.4	65.4	89.5	0	0	0	113.5	I70 M374 I395 L396	I70-L372 HydrophobicContact CB-CD2 4.29Å; I70-L372 HydrophobicContact CG2-CD1 4.25Å; I70-L372 HydrophobicContact CG2-CD2 3.73Å; L372-M374 HydrophobicContact CD1-CG 4.15Å; L372-I395 HydrophobicContact CB-CG2 3.96Å; L372-I395 HydrophobicContact CD1-CG2 4.21Å; L372-L396 CarbonylContact C-O 3.37Å; L372-L396 WeakPolarHBondContact CA-O 3.38Å
373	V	98.8	Very high	98.5	Very high	17 Å²	17	29.5 Å²	29.5	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.9	177.5	-175.8	0	0	0	0	110.3	M107 R375 L396 I398	M107-V373 HydrophobicContact CE-CB 4.41Å; M107-V373 HydrophobicContact CE-CG2 4.17Å; V373-R375 HydrophobicContact CG1-CG 4.45Å; V373-L396 HydrophobicContact CB-CB 4.24Å; V373-L396 PolarHBondContact N-O 2.85Å; V373-L396 PolarHBondContact O-N 3.31Å; V373-I398 HydrophobicContact CG2-CD1 3.84Å; V373-I398 HydrophobicContact CG2-CG1 4.38Å; V373-I398 HydrophobicContact CG2-CG2 4.44Å
374	M	98.8	Very high	98.3	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.4	176.7	-61.3	170.7	76.7	0	0	111.5	R115 F116 F134 L228 I229 L372 I394 I395 L477	R115-M374 WeakPolarHBondContact CG-O 3.44Å; R115-M374 PolarHBondContact NH1-O 2.87Å; F116-M374 HydrophobicContact CD1-CB 4.15Å; F116-M374 HydrophobicContact CD1-CE 3.99Å; F116-M374 HydrophobicContact CD2-CE 3.92Å; F116-M374 HydrophobicContact CE1-CB 3.8Å; F116-M374 HydrophobicContact CE1-CE 3.6Å; F116-M374 HydrophobicContact CE1-CG 4.07Å; F116-M374 HydrophobicContact CE2-CE 3.52Å; F116-M374 HydrophobicContact CG-CE 4.14Å; F116-M374 HydrophobicContact CZ-CE 3.35Å; F116-M374 HydrophobicContact CZ-CG 4.41Å; F116-M374 VanDerWaalsContact O-CE 3.26Å; F116-M374 WeakPolarHBondContact O-CE 3.19Å; F134-M374 HydrophobicContact CE1-CE 4.25Å; F134-M374 HydrophobicContact CE1-SD 3.92Å; F134-M374 HydrophobicContact CZ-SD 3.7Å; L228-M374 HydrophobicContact CD2-CE 4.14Å; L228-M374 HydrophobicContact CD2-SD 3.76Å; I229-M374 HydrophobicContact CG2-CE 4.4Å; L372-M374 HydrophobicContact CD1-CG 4.15Å; M374-I394 CarbonylContact C-O 3.58Å; M374-I394 WeakPolarHBondContact CA-O 3.42Å; M374-I395 HydrophobicContact CG-CG1 4.39Å; M374-L477 HydrophobicContact SD-CD1 4.34Å
375	R	98.8	Very high	98.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	166.5	175.9	-62.5	-61.1	-167.1	90.5	4.2	110.8	V106 Y112 S114 F116 V373 I394 L396 R435	V106-R375 HydrophobicContact CG1-CB 4.11Å; V106-R375 HydrophobicContact CG1-CG 3.94Å; Y112-R375 WeakPolarHBondContact O-CD 3.42Å; Y112-R375 PolarHBondContact O-NH1 2.96Å; S114-R375 CarbonylContact O-C 3.57Å; S114-R375 WeakPolarHBondContact O-CA 3.44Å; F116-R375 VanDerWaalsContact CD1-O 3.27Å; F116-R375 WeakPolarHBondContact CD1-O 3.45Å; V373-R375 HydrophobicContact CG1-CG 4.45Å; R375-I394 HydrophobicContact CB-CB 4.2Å; R375-I394 PolarHBondContact N-O 3.17Å; R375-I394 PolarHBondContact O-N 2.72Å; R375-L396 HydrophobicContact CG-CD1 4.37Å; R375-R435 PolarHBondContact NH2-O 3.24Å
376	R	98.7	Very high	98	Very high	64 Å²	64	37.9 Å²	37.9	24%	0.242	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.3	172.1	-172.3	176.3	-177.1	116.6	-7.5	109.4	E92 S114 G391 N393	E92-R376 IonicContact OE1-CZ 2.69Å; E92-R376 IonicContact OE1-NH1 2.74Å; E92-R376 PolarHBondContact OE1-NH1 3.09Å; E92-R376 IonicContact OE1-NH2 3.6Å; E92-R376 PolarHBondContact OE1-NH2 3.19Å; E92-R376 IonicContact OE2-CZ 3.27Å; E92-R376 IonicContact OE2-NH1 3.01Å; E92-R376 PolarHBondContact OE2-NH1 2.87Å; E92-R376 IonicContact OE2-NH2 3.69Å; S114-R376 PolarHBondContact O-N 2.7Å; R376-G391 PolarHBondContact NE-O 3.42Å; R376-N393 PolarHBondContact NH1-OD1 2.8Å
377	A	98.8	Very high	97.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	23%	0.23	C	C	.	.			trans	-71.4	128.3	174.9	0	0	0	0	0	110.3	Y112 V388 G391 T392	Y112-A377 HydrophobicContact CD1-CB 4.11Å; Y112-A377 HydrophobicContact CE1-CB 3.77Å; A377-V388 HydrophobicContact CB-CG1 4.08Å; A377-G391 PolarHBondContact O-N 2.81Å; A377-T392 PolarHBondContact N-O 2.87Å
378	L	98.6	Very high	97.8	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.209	23%	0.227	C	C	.	.	S	Bend	trans	-91.4	-20.5	178.8	-66.7	175.2	0	0	0	112.9	N111 I113 P138 K390	N111-L378 WeakPolarHBondContact O-CB 3.32Å; N111-L378 VanDerWaalsContact O-CG 3.23Å; N111-L378 WeakPolarHBondContact O-CG 3.49Å; N111-L378 PolarHBondContact O-N 2.99Å; N111-L378 WeakPolarHBondContact OD1-CA 3.06Å; N111-L378 PolarHBondContact OD1-N 3.37Å; I113-L378 HydrophobicContact CD1-CD1 4.49Å; I113-L378 HydrophobicContact CG1-CD1 3.7Å; P138-L378 HydrophobicContact CB-CD1 4.42Å; P138-L378 HydrophobicContact CG-CD1 4.03Å; P138-L378 HydrophobicContact CG-CD2 4.01Å; L378-K390 WeakPolarHBondContact O-CD 3.26Å; L378-K390 WeakPolarHBondContact O-CE 3.15Å; L378-K390 VanDerWaalsContact O-CG 3.22Å; L378-K390 WeakPolarHBondContact O-CG 3.05Å; L378-K390 PolarHBondContact O-NZ 3.41Å
379	D	98.4	Very high	97.8	Very high	87 Å²	87	45.6 Å²	45.6	47%	0.465	25%	0.253	S	S	.	.	S	Bend	trans	-149.1	161.6	-178.8	-62.9	-52.4	0	0	0	109.9	N111 K390	N111-D379 PolarHBondContact ND2-O 3.38Å; N111-D379 WeakPolarHBondContact OD1-CA 3.28Å; N111-D379 PolarHBondContact OD1-N 3.08Å; N111-D379 PolarHBondContact OD1-O 3.41Å; D379-K390 IonicContact OD1-NZ 3.44Å; D379-K390 PolarHBondContact OD1-NZ 2.95Å
380	D	98.4	Very high	97.8	Very high	119 Å²	119	51.6 Å²	51.6	64%	0.636	28%	0.278	S	S	*	.			trans	-65.7	142.7	178.2	-67.5	-9.5	0	0	0	111.3	V388 K389 K390	D380-V388 WeakPolarHBondContact CA-O 3.42Å; D380-K389 WeakPolarHBondContact OD1-CA 3.34Å; D380-K390 WeakPolarHBondContact OD1-CB 3.37Å; D380-K390 PolarHBondContact OD1-N 3.04Å
381	D	98.3	Very high	97.8	Very high	50 Å²	50	49.6 Å²	49.6	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.4	179.1	-157.3	-9	0	0	0	111.1	H105 Y112 V388	H105-D381 IonicContact CD2-OD2 2.89Å; H105-D381 IonicContact CE1-OD2 2.77Å; H105-D381 IonicContact NE2-OD1 3.93Å; H105-D381 IonicContact NE2-OD2 3.85Å; H105-D381 PolarHBondContact NE2-OD2 3.18Å; Y112-D381 WeakPolarHBondContact OH-CB 3.44Å; Y112-D381 PolarHBondContact OH-OD2 3.47Å; D381-V388 PolarHBondContact N-O 2.98Å; D381-V388 PolarHBondContact O-N 2.84Å
382	V	97.8	Very high	97.8	Very high	87 Å²	87	50 Å²	50	53%	0.527	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.3	169.8	-180	0	0	0	0	109.2	Y386	V382-Y386 CarbonylContact C-O 3.56Å; V382-Y386 WeakPolarHBondContact CA-O 3.32Å
383	I	97.6	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.9	-179.2	-49.7	-177.7	0	0	0	109.3	F84 H105 V106 Y112 G385 Y386 V388	F84-I383 HydrophobicContact CE2-CB 4.3Å; F84-I383 HydrophobicContact CE2-CG2 4.23Å; H105-I383 HydrophobicContact CB-CG2 4.39Å; V106-I383 HydrophobicContact CG2-CD1 3.65Å; Y112-I383 HydrophobicContact CE1-CD1 4.17Å; Y112-I383 VanDerWaalsContact OH-CD1 3.26Å; Y112-I383 WeakPolarHBondContact OH-CD1 3.43Å; I383-G385 PolarHBondContact O-N 3.2Å; I383-G385 VanDerWaalsContact O-N 3.07Å; I383-Y386 PolarHBondContact N-O 3.34Å; I383-Y386 PolarHBondContact O-N 3.46Å; I383-V388 HydrophobicContact CB-CG2 4.17Å; I383-V388 HydrophobicContact CD1-CB 4.34Å; I383-V388 HydrophobicContact CD1-CG2 3.74Å; I383-V388 HydrophobicContact CG1-CB 4.39Å; I383-V388 HydrophobicContact CG1-CG2 3.74Å
384	D	95.4	Very high	97.8	Very high	70 Å²	70	48.8 Å²	48.8	37%	0.374	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	35.8	-179.7	-71.9	-14.8	0	0	0	113.6	S101 S102	S101-D384 WeakPolarHBondContact CB-OD2 3.48Å; S101-D384 PolarHBondContact OG-OD2 3.27Å; S102-D384 WeakPolarHBondContact CB-OD2 3.26Å; S102-D384 PolarHBondContact N-OD2 3.44Å; S102-D384 VanDerWaalsContact N-OD2 3.09Å; S102-D384 VanDerWaalsContact OG-CG 3.24Å; S102-D384 PolarHBondContact OG-OD2 2.94Å
385	G	93.9	Very high	97.8	Very high	64 Å²	64	48.7 Å²	48.7	66%	0.66	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-3.6	-179.7	0	0	0	0	0	115.4	I383	I383-G385 PolarHBondContact O-N 3.2Å; I383-G385 VanDerWaalsContact O-N 3.07Å
386	Y	95.9	Very high	97.8	Very high	62 Å²	62	48.6 Å²	48.6	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.9	177.4	-59.9	-80.2	0	0	0	111.6	S46 I47 F84 V382 I383 V388	S46-Y386 WeakPolarHBondContact O-CD1 3.5Å; S46-Y386 WeakPolarHBondContact O-CE1 3.27Å; I47-Y386 HydrophobicContact CB-CD1 4.44Å; I47-Y386 HydrophobicContact CG1-CD1 3.8Å; I47-Y386 HydrophobicContact CG1-CG 4.44Å; F84-Y386 HydrophobicContact CB-CE2 4.29Å; F84-Y386 HydrophobicContact CD1-CD1 4.45Å; F84-Y386 AromaticContact CD1-CD2 3.76Å; F84-Y386 HydrophobicContact CD1-CD2 3.76Å; F84-Y386 HydrophobicContact CD1-CE2 4.03Å; F84-Y386 AromaticContact CD1-CG 3.98Å; F84-Y386 HydrophobicContact CD1-CG 3.98Å; F84-Y386 AromaticContact CD2-CD2 3.94Å; F84-Y386 HydrophobicContact CD2-CD2 3.94Å; F84-Y386 HydrophobicContact CD2-CE2 4.3Å; F84-Y386 HydrophobicContact CE1-CD1 4.3Å; F84-Y386 AromaticContact CE1-CD2 3.75Å; F84-Y386 HydrophobicContact CE1-CD2 3.75Å; F84-Y386 HydrophobicContact CE1-CE2 4.47Å; F84-Y386 AromaticContact CE1-CG 3.64Å; F84-Y386 HydrophobicContact CE1-CG 3.64Å; F84-Y386 AromaticContact CE2-CD2 3.9Å; F84-Y386 HydrophobicContact CE2-CD2 3.9Å; F84-Y386 HydrophobicContact CE2-CG 4.43Å; F84-Y386 AromaticContact CG-CD2 3.88Å; F84-Y386 HydrophobicContact CG-CD2 3.88Å; F84-Y386 AromaticContact CG-CE2 3.96Å; F84-Y386 HydrophobicContact CG-CE2 3.96Å; F84-Y386 AromaticContact CZ-CD2 3.81Å; F84-Y386 HydrophobicContact CZ-CD2 3.81Å; F84-Y386 AromaticContact CZ-CG 3.89Å; F84-Y386 HydrophobicContact CZ-CG 3.89Å; V382-Y386 CarbonylContact C-O 3.56Å; V382-Y386 WeakPolarHBondContact CA-O 3.32Å; I383-Y386 PolarHBondContact N-O 3.34Å; I383-Y386 PolarHBondContact O-N 3.46Å; Y386-V388 PolarHBondContact O-N 2.96Å
387	P	95.8	Very high	97.8	Very high	68 Å²	68	45.6 Å²	45.6	44%	0.442	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130	174.6	29.5	-33.3	0	0	0	110.4
388	V	97.8	Very high	97.8	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.5	177.3	-177.4	0	0	0	0	108.4	F84 L95 A377 D380 D381 I383 Y386 T392 I394	F84-V388 HydrophobicContact CZ-CG2 4.46Å; L95-V388 HydrophobicContact CD1-CG1 4.13Å; L95-V388 HydrophobicContact CD1-CG2 3.75Å; A377-V388 HydrophobicContact CB-CG1 4.08Å; D380-V388 WeakPolarHBondContact CA-O 3.42Å; D381-V388 PolarHBondContact N-O 2.98Å; D381-V388 PolarHBondContact O-N 2.84Å; I383-V388 HydrophobicContact CB-CG2 4.17Å; I383-V388 HydrophobicContact CD1-CB 4.34Å; I383-V388 HydrophobicContact CD1-CG2 3.74Å; I383-V388 HydrophobicContact CG1-CB 4.39Å; I383-V388 HydrophobicContact CG1-CG2 3.74Å; Y386-V388 PolarHBondContact O-N 2.96Å; V388-T392 HydrophobicContact CG1-CG2 4.2Å; V388-I394 HydrophobicContact CG1-CD1 4.47Å
389	K	97.9	Very high	97.8	Very high	142 Å²	142	44 Å²	44	62%	0.617	25%	0.247	S	C	*	.			trans	-80.9	154.8	-178.7	-63.1	-179	-178.9	175.8	0	111.3	D380 G391 T392	D380-K389 WeakPolarHBondContact OD1-CA 3.34Å; K389-G391 PolarHBondContact O-N 2.91Å; K389-T392 WeakPolarHBondContact O-CB 3.5Å; K389-T392 PolarHBondContact O-N 3.24Å; K389-T392 VanDerWaalsContact O-N 3.1Å; K389-T392 PolarHBondContact O-OG1 2.96Å
390	K	98.3	Very high	97.8	Very high	130 Å²	130	41.8 Å²	41.8	57%	0.565	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	134.4	167.2	175.4	167.2	-169.8	137	0	110.6	L378 D379 D380 T392	L378-K390 WeakPolarHBondContact O-CD 3.26Å; L378-K390 WeakPolarHBondContact O-CE 3.15Å; L378-K390 VanDerWaalsContact O-CG 3.22Å; L378-K390 WeakPolarHBondContact O-CG 3.05Å; L378-K390 PolarHBondContact O-NZ 3.41Å; D379-K390 IonicContact OD1-NZ 3.44Å; D379-K390 PolarHBondContact OD1-NZ 2.95Å; D380-K390 WeakPolarHBondContact OD1-CB 3.37Å; D380-K390 PolarHBondContact OD1-N 3.04Å; K390-T392 VanDerWaalsContact C-N 3.27Å; K390-T392 PolarHBondContact O-N 2.76Å
391	G	98	Very high	97.8	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-8.5	-179.1	0	0	0	0	0	114.6	R376 A377 K389 N393	R376-G391 PolarHBondContact NE-O 3.42Å; A377-G391 PolarHBondContact O-N 2.81Å; K389-G391 PolarHBondContact O-N 2.91Å; G391-N393 PolarHBondContact O-N 3.08Å
392	T	98.7	Very high	97.8	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.074	19%	0.19	C	C	.	.			trans	-61.4	127.9	172.2	-62.9	0	0	0	0	110.1	L95 A377 V388 K389 K390	L95-T392 HydrophobicContact CD1-CG2 3.93Å; L95-T392 HydrophobicContact CG-CG2 3.76Å; A377-T392 PolarHBondContact N-O 2.87Å; V388-T392 HydrophobicContact CG1-CG2 4.2Å; K389-T392 WeakPolarHBondContact O-CB 3.5Å; K389-T392 PolarHBondContact O-N 3.24Å; K389-T392 VanDerWaalsContact O-N 3.1Å; K389-T392 PolarHBondContact O-OG1 2.96Å; K390-T392 VanDerWaalsContact C-N 3.27Å; K390-T392 PolarHBondContact O-N 2.76Å
393	N	98.9	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	149.8	174.9	-65.2	-32.6	0	0	0	109.6	E92 E93 T94 L95 F116 R376 G391	E92-N393 PolarHBondContact OE2-ND2 3.2Å; E93-N393 PolarHBondContact O-N 3.04Å; T94-N393 CarbonylContact C-O 3.38Å; T94-N393 VanDerWaalsContact CA-O 3.27Å; T94-N393 WeakPolarHBondContact CA-O 3.41Å; T94-N393 HydrophobicContact CG2-CB 3.78Å; T94-N393 WeakPolarHBondContact OG1-CB 3.48Å; L95-N393 PolarHBondContact N-O 3.38Å; F116-N393 HydrophobicContact CB-CB 4.43Å; F116-N393 WeakPolarHBondContact CB-OD1 3.34Å; F116-N393 HydrophobicContact CD1-CB 3.66Å; F116-N393 HydrophobicContact CD2-CB 3.86Å; F116-N393 VanDerWaalsContact CD2-CG 3.44Å; F116-N393 WeakPolarHBondContact CD2-ND2 3.29Å; F116-N393 HydrophobicContact CE1-CB 3.74Å; F116-N393 HydrophobicContact CE2-CB 3.93Å; F116-N393 HydrophobicContact CG-CB 3.73Å; F116-N393 VanDerWaalsContact CG-OD1 3.26Å; F116-N393 WeakPolarHBondContact CG-OD1 3.48Å; F116-N393 HydrophobicContact CZ-CB 3.86Å; R376-N393 PolarHBondContact NH1-OD1 2.8Å; G391-N393 PolarHBondContact O-N 3.08Å
394	I	98.9	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.3	-177.9	-57.9	174.4	0	0	0	109	L95 I97 V106 Y112 M374 R375 V388 L396	L95-I394 HydrophobicContact CB-CG1 4.49Å; L95-I394 CarbonylContact O-C 3.37Å; L95-I394 WeakPolarHBondContact O-CA 3.26Å; I97-I394 HydrophobicContact CD1-CG2 3.89Å; I97-I394 HydrophobicContact CG1-CG2 4.48Å; V106-I394 HydrophobicContact CG1-CD1 4.37Å; V106-I394 HydrophobicContact CG2-CD1 4.14Å; Y112-I394 HydrophobicContact CD1-CD1 3.74Å; Y112-I394 HydrophobicContact CE1-CD1 3.74Å; M374-I394 CarbonylContact C-O 3.58Å; M374-I394 WeakPolarHBondContact CA-O 3.42Å; R375-I394 HydrophobicContact CB-CB 4.2Å; R375-I394 PolarHBondContact N-O 3.17Å; R375-I394 PolarHBondContact O-N 2.72Å; V388-I394 HydrophobicContact CG1-CD1 4.47Å; I394-L396 HydrophobicContact CG2-CD2 3.75Å; I394-L396 HydrophobicContact CG2-CG 4.19Å
395	I	98.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114	167.9	-54.4	177.3	0	0	0	107.8	F65 I70 I89 T94 L95 I96 I97 F116 L372 M374	F65-I395 HydrophobicContact CE1-CD1 4Å; F65-I395 HydrophobicContact CZ-CD1 4.29Å; I70-I395 HydrophobicContact CG2-CD1 4.06Å; I89-I395 HydrophobicContact CD1-CD1 4.12Å; T94-I395 HydrophobicContact CG2-CD1 4.12Å; T94-I395 HydrophobicContact CG2-CG1 3.99Å; L95-I395 PolarHBondContact O-N 2.71Å; I96-I395 WeakPolarHBondContact CA-O 3.41Å; I97-I395 PolarHBondContact N-O 2.87Å; F116-I395 HydrophobicContact CE1-CG1 4.05Å; F116-I395 HydrophobicContact CZ-CD1 4.09Å; F116-I395 HydrophobicContact CZ-CG1 3.79Å; L372-I395 HydrophobicContact CB-CG2 3.96Å; L372-I395 HydrophobicContact CD1-CG2 4.21Å; M374-I395 HydrophobicContact CG-CG1 4.39Å
396	L	98.9	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109.5	173.3	-55.3	175	0	0	0	108.4	I97 M103 V106 M107 L372 V373 R375 I394 I398	I97-L396 HydrophobicContact CB-CD2 4.12Å; I97-L396 HydrophobicContact CG2-CD2 4.44Å; I97-L396 CarbonylContact O-C 3.3Å; I97-L396 VanDerWaalsContact O-CA 3.31Å; I97-L396 WeakPolarHBondContact O-CA 3.5Å; M103-L396 HydrophobicContact CB-CD2 4.43Å; M103-L396 HydrophobicContact CG-CD1 4.22Å; V106-L396 HydrophobicContact CB-CD1 4.25Å; V106-L396 HydrophobicContact CB-CD2 4.26Å; V106-L396 HydrophobicContact CG1-CD1 3.9Å; V106-L396 HydrophobicContact CG1-CD2 4.28Å; V106-L396 HydrophobicContact CG1-CG 4.44Å; V106-L396 HydrophobicContact CG2-CD2 4.35Å; M107-L396 HydrophobicContact CE-CD1 3.56Å; M107-L396 HydrophobicContact CG-CD1 3.87Å; L372-L396 CarbonylContact C-O 3.37Å; L372-L396 WeakPolarHBondContact CA-O 3.38Å; V373-L396 HydrophobicContact CB-CB 4.24Å; V373-L396 PolarHBondContact N-O 2.85Å; V373-L396 PolarHBondContact O-N 3.31Å; R375-L396 HydrophobicContact CG-CD1 4.37Å; I394-L396 HydrophobicContact CG2-CD2 3.75Å; I394-L396 HydrophobicContact CG2-CG 4.19Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 HydrophobicContact CB-CG2 4.22Å; L396-I398 PolarHBondContact O-N 3.21Å; L396-I398 VanDerWaalsContact O-N 3.1Å
397	N	98.8	Very high	97.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.171	C	C	.	.			trans	-84.4	75.1	178.6	-174.1	-5.6	0	0	0	109.9	N75 N78 I96 I97 D371 R400 M401	N75-N397 PolarHBondContact OD1-ND2 3.4Å; N75-N397 VanDerWaalsContact OD1-ND2 3.09Å; N78-N397 PolarHBondContact OD1-ND2 2.75Å; I96-N397 HydrophobicContact CG2-CB 4.41Å; I97-N397 PolarHBondContact O-N 3.29Å; D371-N397 CarbonylContact O-C 3.51Å; N397-R400 HydrophobicContact CB-CB 4.35Å; N397-R400 VanDerWaalsContact CG-CB 3.42Å; N397-R400 WeakPolarHBondContact ND2-CB 3.22Å; N397-R400 PolarHBondContact O-N 3.32Å; N397-R400 VanDerWaalsContact OD1-CB 3.27Å; N397-R400 WeakPolarHBondContact OD1-CB 3.15Å; N397-R400 PolarHBondContact OD1-N 3.38Å; N397-M401 PolarHBondContact O-N 3.36Å
398	I	98.6	Very high	98	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-69.2	-31.5	-173.4	57.6	169.1	0	0	0	112.8	M103 M107 V370 D371 V373 L396 R400 M401 H402 Q428	M103-I398 HydrophobicContact CG-CG2 4.17Å; M107-I398 HydrophobicContact CE-CG2 4.06Å; V370-I398 WeakPolarHBondContact O-CD1 3.43Å; D371-I398 VanDerWaalsContact O-CG1 3.24Å; D371-I398 WeakPolarHBondContact O-CG1 3.49Å; D371-I398 PolarHBondContact O-N 3.42Å; V373-I398 HydrophobicContact CG2-CD1 3.84Å; V373-I398 HydrophobicContact CG2-CG1 4.38Å; V373-I398 HydrophobicContact CG2-CG2 4.44Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 HydrophobicContact CB-CG2 4.22Å; L396-I398 PolarHBondContact O-N 3.21Å; L396-I398 VanDerWaalsContact O-N 3.1Å; I398-R400 VanDerWaalsContact C-N 3.34Å; I398-M401 HydrophobicContact CB-CE 4.4Å; I398-M401 HydrophobicContact CG2-CE 4.37Å; I398-M401 WeakPolarHBondContact O-CB 3.3Å; I398-M401 PolarHBondContact O-N 3.05Å; I398-H402 PolarHBondContact O-CD2 3.39Å; I398-H402 VanDerWaalsContact O-CD2 3.32Å; I398-H402 PolarHBondContact O-N 3.17Å; I398-Q428 WeakPolarHBondContact CD1-O 3.04Å
399	G	98.4	Very high	98	Very high	7 Å²	7	40 Å²	40	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-38.2	175.6	0	0	0	0	0	112.1	D371	D371-G399 PolarHBondContact O-N 2.91Å
400	R	98.5	Very high	98	Very high	40 Å²	40	34.7 Å²	34.7	15%	0.151	17%	0.172	C	C	.	.	H	α-helix	trans	-68.7	-43.7	171	-178	170.3	178.1	72.5	1	111.9	E83 N397 I398 H402 R403 L404	E83-R400 IonicContact OE1-CZ 2.83Å; E83-R400 IonicContact OE1-NE 2.81Å; E83-R400 PolarHBondContact OE1-NE 2.94Å; E83-R400 IonicContact OE1-NH2 4Å; E83-R400 PolarHBondContact OE1-NH2 3.48Å; E83-R400 WeakPolarHBondContact OE2-CD 3.12Å; E83-R400 IonicContact OE2-CZ 2.87Å; E83-R400 IonicContact OE2-NE 3.19Å; E83-R400 PolarHBondContact OE2-NE 3.41Å; E83-R400 IonicContact OE2-NH2 3.27Å; N397-R400 HydrophobicContact CB-CB 4.35Å; N397-R400 VanDerWaalsContact CG-CB 3.42Å; N397-R400 WeakPolarHBondContact ND2-CB 3.22Å; N397-R400 PolarHBondContact O-N 3.32Å; N397-R400 VanDerWaalsContact OD1-CB 3.27Å; N397-R400 WeakPolarHBondContact OD1-CB 3.15Å; N397-R400 PolarHBondContact OD1-N 3.38Å; I398-R400 VanDerWaalsContact C-N 3.34Å; R400-H402 VanDerWaalsContact C-N 3.29Å; R400-H402 PolarHBondContact O-N 3.41Å; R400-R403 PolarHBondContact O-N 2.87Å; R400-L404 HydrophobicContact CG-CD1 3.74Å; R400-L404 HydrophobicContact CG-CG 4.25Å; R400-L404 WeakPolarHBondContact O-CG 3.4Å; R400-L404 PolarHBondContact O-N 3.01Å
401	M	98.6	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-54.8	-44.6	177.5	-179	-169.1	74.9	0	0	111.8	S98 M103 N397 I398 R403 L404 E405 Q428	S98-M401 VanDerWaalsContact O-CB 3.25Å; S98-M401 WeakPolarHBondContact O-CB 3.27Å; S98-M401 VanDerWaalsContact O-CG 3.29Å; S98-M401 WeakPolarHBondContact O-CG 3.42Å; M103-M401 HydrophobicContact CB-SD 3.88Å; M103-M401 HydrophobicContact CE-CE 3.76Å; M103-M401 HydrophobicContact CE-SD 3.6Å; M103-M401 VanDerWaalsContact CE-SD 3.6Å; M103-M401 HydrophobicContact CG-CE 4.4Å; M103-M401 HydrophobicContact CG-SD 3.76Å; M103-M401 HydrophobicContact SD-SD 4.45Å; N397-M401 PolarHBondContact O-N 3.36Å; I398-M401 HydrophobicContact CB-CE 4.4Å; I398-M401 HydrophobicContact CG2-CE 4.37Å; I398-M401 WeakPolarHBondContact O-CB 3.3Å; I398-M401 PolarHBondContact O-N 3.05Å; M401-R403 PolarHBondContact O-N 3.19Å; M401-R403 VanDerWaalsContact O-N 3.09Å; M401-L404 PolarHBondContact O-N 3.1Å; M401-L404 VanDerWaalsContact O-N 3.11Å; M401-E405 PolarHBondContact O-N 2.79Å; M401-E405 VanDerWaalsContact O-N 3.13Å; M401-Q428 HydrophobicContact CE-CB 4.36Å
402	H	98.6	Very high	97.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-10	178.1	-65.1	166	0	0	0	114.6	R365 I398 R400 F407 F427 Q428	R365-H402 HydrophobicContact CG-CB 3.72Å; R365-H402 PolarHBondContact NH1-O 2.96Å; I398-H402 PolarHBondContact O-CD2 3.39Å; I398-H402 VanDerWaalsContact O-CD2 3.32Å; I398-H402 PolarHBondContact O-N 3.17Å; R400-H402 VanDerWaalsContact C-N 3.29Å; R400-H402 PolarHBondContact O-N 3.41Å; H402-F407 HydrophobicContact CB-CE2 4.41Å; H402-F407 VanDerWaalsContact O-CD2 3.28Å; H402-F407 WeakPolarHBondContact O-CD2 3.49Å; H402-F427 AromaticContact CD2-CD2 3.94Å; H402-F427 AromaticContact CE1-CD2 3.77Å; H402-F427 AromaticContact CE1-CE2 3.83Å; H402-F427 AromaticContact ND1-CD2 3.9Å; H402-F427 AromaticContact ND1-CE2 3.83Å; H402-F427 AromaticContact NE2-CD2 3.81Å; H402-Q428 PolarHBondContact NE2-N 3.01Å; H402-Q428 VanDerWaalsContact NE2-N 3.16Å
403	R	98	Very high	97.8	Very high	68 Å²	68	37.7 Å²	37.7	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-106.1	-10.4	176.1	-66.9	-178.4	172.1	-89.1	1.8	113.8	Y366 R400 M401 P410	Y366-R403 PolarHBondContact O-NH2 3.41Å; R400-R403 PolarHBondContact O-N 2.87Å; M401-R403 PolarHBondContact O-N 3.19Å; M401-R403 VanDerWaalsContact O-N 3.09Å; R403-P410 VanDerWaalsContact O-CB 3.26Å; R403-P410 WeakPolarHBondContact O-CB 3.39Å
404	L	97.4	Very high	97.7	Very high	87 Å²	87	38.8 Å²	38.8	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-108.7	-29.3	-176.4	-67.8	179.7	0	0	0	113	E83 R400 M401	E83-L404 HydrophobicContact CG-CD1 4Å; E83-L404 WeakPolarHBondContact OE2-CD1 2.94Å; R400-L404 HydrophobicContact CG-CD1 3.74Å; R400-L404 HydrophobicContact CG-CG 4.25Å; R400-L404 WeakPolarHBondContact O-CG 3.4Å; R400-L404 PolarHBondContact O-N 3.01Å; M401-L404 PolarHBondContact O-N 3.1Å; M401-L404 VanDerWaalsContact O-N 3.11Å
405	E	92.3	Very high	97.7	Very high	54 Å²	54	40.4 Å²	40.4	25%	0.252	20%	0.2	S	C	.	.	S	Bend	trans	-120.1	146.2	-171.6	-61.7	-165.6	-147.9	0	0	112	K99 S100 M401 F407 Y426	K99-E405 WeakPolarHBondContact CA-OE1 3.36Å; S100-E405 WeakPolarHBondContact CB-OE2 3.36Å; S100-E405 PolarHBondContact N-OE1 3.44Å; S100-E405 PolarHBondContact OG-OE2 3.37Å; M401-E405 PolarHBondContact O-N 2.79Å; M401-E405 VanDerWaalsContact O-N 3.13Å; E405-F407 VanDerWaalsContact C-N 3.25Å; E405-F407 WeakPolarHBondContact O-CD2 3.48Å; E405-F407 PolarHBondContact O-N 3.25Å; E405-Y426 HydrophobicContact CB-CD1 4.46Å
406	Y	97	Very high	97.6	Very high	99 Å²	99	44.3 Å²	44.3	39%	0.388	22%	0.218	S	C	.	.	S	Bend	trans	68.9	-48.7	169.2	-173.6	-89.3	0	0	0	117.7	N421 V422 P423 Y426	Y406-N421 PolarHBondContact OH-O 2.81Å; Y406-V422 HydrophobicContact CD1-CG1 3.85Å; Y406-V422 HydrophobicContact CE1-CB 4.04Å; Y406-V422 HydrophobicContact CE1-CG1 3.58Å; Y406-V422 HydrophobicContact CE1-CG2 3.92Å; Y406-P423 HydrophobicContact CE2-CG 3.85Å; Y406-P423 WeakPolarHBondContact OH-CD 3.23Å; Y406-Y426 AromaticContact CD2-CD2 3.37Å; Y406-Y426 HydrophobicContact CD2-CD2 3.37Å; Y406-Y426 AromaticContact CD2-CE2 3.94Å; Y406-Y426 HydrophobicContact CD2-CE2 3.94Å; Y406-Y426 AromaticContact CD2-CG 3.76Å; Y406-Y426 HydrophobicContact CD2-CG 3.76Å; Y406-Y426 HydrophobicContact CE2-CD2 4.02Å; Y406-Y426 AromaticContact CG-CD2 3.94Å; Y406-Y426 HydrophobicContact CG-CD2 3.94Å; Y406-Y426 AromaticContact CG-CG 3.85Å; Y406-Y426 HydrophobicContact CG-CG 3.85Å
407	F	98.2	Very high	97.6	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.053	22%	0.219	C	C	.	.			trans	-72.2	136.5	-168.9	-67.5	-78.1	0	0	0	112.9	R365 H402 E405 P410 N417 F418 V422 F427	R365-F407 VanDerWaalsContact CD-CE1 3.47Å; R365-F407 VanDerWaalsContact CD-CE2 3.47Å; R365-F407 HydrophobicContact CG-CD2 4.27Å; R365-F407 HydrophobicContact CG-CE1 4.41Å; R365-F407 HydrophobicContact CG-CE2 3.82Å; R365-F407 HydrophobicContact CG-CZ 3.87Å; H402-F407 HydrophobicContact CB-CE2 4.41Å; H402-F407 VanDerWaalsContact O-CD2 3.28Å; H402-F407 WeakPolarHBondContact O-CD2 3.49Å; E405-F407 VanDerWaalsContact C-N 3.25Å; E405-F407 WeakPolarHBondContact O-CD2 3.48Å; E405-F407 PolarHBondContact O-N 3.25Å; F407-P410 HydrophobicContact CB-CB 4.31Å; F407-P410 WeakPolarHBondContact O-CD 3.4Å; F407-N417 HydrophobicContact CD1-CB 3.81Å; F407-N417 HydrophobicContact CE1-CB 4.43Å; F407-F418 HydrophobicContact CE1-CD2 4.32Å; F407-F418 HydrophobicContact CE1-CE1 4.08Å; F407-F418 AromaticContact CE1-CE2 3.67Å; F407-F418 HydrophobicContact CE1-CE2 3.67Å; F407-F418 AromaticContact CE1-CZ 3.53Å; F407-F418 HydrophobicContact CE1-CZ 3.53Å; F407-F418 HydrophobicContact CZ-CE1 4.38Å; F407-F418 HydrophobicContact CZ-CE2 4.22Å; F407-F418 AromaticContact CZ-CZ 3.75Å; F407-F418 HydrophobicContact CZ-CZ 3.75Å; F407-V422 HydrophobicContact CE1-CG1 4.1Å; F407-V422 HydrophobicContact CE1-CG2 4.08Å; F407-V422 HydrophobicContact CZ-CG1 4.04Å; F407-F427 HydrophobicContact CE2-CB 4.33Å; F407-F427 HydrophobicContact CE2-CD2 4.17Å; F407-F427 HydrophobicContact CZ-CB 3.82Å; F407-F427 AromaticContact CZ-CD2 3.73Å; F407-F427 HydrophobicContact CZ-CD2 3.73Å; F407-F427 AromaticContact CZ-CG 3.89Å; F407-F427 HydrophobicContact CZ-CG 3.89Å
408	P	97.2	Very high	97.6	Very high	92 Å²	92	45 Å²	45	60%	0.597	22%	0.221	S	C	*	.	S	Bend	trans	-68.7	-38.8	-175.4	25.7	-34.4	0	0	0	113.6	P410 N417	P408-P410 VanDerWaalsContact C-CD 3.47Å; P408-P410 WeakPolarHBondContact O-CD 3.37Å; P408-N417 VanDerWaalsContact CD-OD1 3.24Å; P408-N417 WeakPolarHBondContact CD-OD1 3.5Å; P408-N417 WeakPolarHBondContact CG-OD1 3.42Å
409	K	97.9	Very high	97.3	Very high	71 Å²	71	52 Å²	52	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	-122.6	68.7	178.9	-70	176	173.7	176.5	0	109.2	N411 E412 T414 E416 N417	K409-N411 VanDerWaalsContact C-N 3.27Å; K409-N411 PolarHBondContact O-N 2.84Å; K409-E412 HydrophobicContact CB-CB 4.4Å; K409-E412 PolarHBondContact O-N 2.85Å; K409-T414 HydrophobicContact CB-CG2 3.78Å; K409-T414 HydrophobicContact CD-CG2 3.81Å; K409-T414 HydrophobicContact CG-CG2 4.44Å; K409-E416 WeakPolarHBondContact CE-OE2 3.41Å; K409-E416 IonicContact NZ-OE1 2.71Å; K409-E416 PolarHBondContact NZ-OE1 3.32Å; K409-E416 IonicContact NZ-OE2 3.4Å; K409-E416 PolarHBondContact NZ-OE2 3.28Å; K409-N417 PolarHBondContact N-OD1 3.49Å; K409-N417 PolarHBondContact O-ND2 2.84Å; K409-N417 PolarHBondContact O-OD1 3.42Å
410	P	97.2	Very high	97.1	Very high	30 Å²	30	59.8 Å²	59.8	20%	0.195	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22	-165.8	27.4	-34.3	0	0	0	113.9	R365 R403 F407 P408	R365-P410 PolarHBondContact NH1-O 3.23Å; R403-P410 VanDerWaalsContact O-CB 3.26Å; R403-P410 WeakPolarHBondContact O-CB 3.39Å; F407-P410 HydrophobicContact CB-CB 4.31Å; F407-P410 WeakPolarHBondContact O-CD 3.4Å; P408-P410 VanDerWaalsContact C-CD 3.47Å; P408-P410 WeakPolarHBondContact O-CD 3.37Å
411	N	96.8	Very high	96.9	Very high	107 Å²	107	65 Å²	65	57%	0.572	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	4.8	-177.4	-65	-48.8	0	0	0	113.9	K409	K409-N411 VanDerWaalsContact C-N 3.27Å; K409-N411 PolarHBondContact O-N 2.84Å
412	E	96.8	Very high	96.9	Very high	109 Å²	109	65.9 Å²	65.9	51%	0.509	32%	0.322	S	S	.	.	S	Bend	trans	-117.8	151	176.5	-65.2	170.3	-154.4	0	0	109	R365 K409	R365-E412 PolarHBondContact NH2-O 2.67Å; K409-E412 HydrophobicContact CB-CB 4.4Å; K409-E412 PolarHBondContact O-N 2.85Å
413	F	98	Very high	96.8	Very high	10 Å²	10	68.2 Å²	68.2	4%	0.044	34%	0.337	C	S	.	.			trans	-85	111.2	168.5	178.1	-98.5	0	0	0	108.9	L321 Y325 V328 F359 E362 Y366	L321-F413 HydrophobicContact CB-CE1 4.43Å; L321-F413 HydrophobicContact CB-CE2 4.4Å; L321-F413 HydrophobicContact CB-CZ 4.11Å; L321-F413 HydrophobicContact CD1-CD2 4.09Å; L321-F413 HydrophobicContact CD1-CE2 3.7Å; L321-F413 HydrophobicContact CD1-CZ 4.23Å; L321-F413 HydrophobicContact CD2-CB 4.4Å; L321-F413 HydrophobicContact CD2-CD1 4.11Å; L321-F413 HydrophobicContact CD2-CD2 3.74Å; L321-F413 HydrophobicContact CD2-CE1 4.3Å; L321-F413 HydrophobicContact CD2-CE2 3.97Å; L321-F413 HydrophobicContact CD2-CG 3.81Å; L321-F413 HydrophobicContact CD2-CZ 4.24Å; L321-F413 HydrophobicContact CG-CD2 4.46Å; L321-F413 HydrophobicContact CG-CE2 4.24Å; L321-F413 HydrophobicContact CG-CZ 4.42Å; Y325-F413 AromaticContact CD1-CD1 3.87Å; Y325-F413 HydrophobicContact CD1-CD1 3.87Å; Y325-F413 HydrophobicContact CD1-CE1 4.36Å; Y325-F413 AromaticContact CD2-CD1 3.51Å; Y325-F413 HydrophobicContact CD2-CD1 3.51Å; Y325-F413 AromaticContact CD2-CE1 3.78Å; Y325-F413 HydrophobicContact CD2-CE1 3.78Å; Y325-F413 HydrophobicContact CD2-CG 4.47Å; Y325-F413 HydrophobicContact CE1-CB 4.42Å; Y325-F413 AromaticContact CE1-CD1 3.82Å; Y325-F413 HydrophobicContact CE1-CD1 3.82Å; Y325-F413 HydrophobicContact CE2-CB 4.15Å; Y325-F413 AromaticContact CE2-CD1 3.49Å; Y325-F413 HydrophobicContact CE2-CD1 3.49Å; Y325-F413 VanDerWaalsContact CE2-CD1 3.49Å; Y325-F413 HydrophobicContact CE2-CE1 4.2Å; Y325-F413 HydrophobicContact CE2-CG 4.07Å; Y325-F413 AromaticContact CG-CD1 3.73Å; Y325-F413 HydrophobicContact CG-CD1 3.73Å; Y325-F413 AromaticContact CG-CE1 3.88Å; Y325-F413 HydrophobicContact CG-CE1 3.88Å; Y325-F413 AromaticContact CZ-CD1 3.64Å; V328-F413 HydrophobicContact CG2-CE1 4.37Å; F359-F413 AromaticContact CD2-CZ 3.85Å; F359-F413 HydrophobicContact CD2-CZ 3.85Å; F359-F413 AromaticContact CE2-CZ 3.79Å; F359-F413 HydrophobicContact CE2-CZ 3.79Å; E362-F413 HydrophobicContact CB-CE2 4.22Å; E362-F413 HydrophobicContact CG-CD2 3.69Å; E362-F413 HydrophobicContact CG-CE2 3.6Å; E362-F413 HydrophobicContact CG-CG 4.45Å; E362-F413 HydrophobicContact CG-CZ 4.32Å; Y366-F413 HydrophobicContact CD1-CB 3.77Å; Y366-F413 AromaticContact CD1-CD2 3.99Å; Y366-F413 HydrophobicContact CD1-CD2 3.99Å; Y366-F413 HydrophobicContact CD1-CG 4.3Å; Y366-F413 HydrophobicContact CD2-CB 4.18Å; Y366-F413 HydrophobicContact CE1-CB 3.86Å; Y366-F413 HydrophobicContact CE2-CB 4.28Å; Y366-F413 HydrophobicContact CG-CB 3.93Å; Y366-F413 HydrophobicContact CG-CD2 4.08Å
414	T	97.8	Very high	96.7	Very high	24 Å²	24	71.4 Å²	71.4	15%	0.147	35%	0.351	C	S	.	.			trans	-156.5	137.1	178	176.1	0	0	0	0	111.8	E362 K409 E416 N417	E362-T414 WeakPolarHBondContact CG-O 3.22Å; E362-T414 PolarHBondContact OE1-N 2.99Å; E362-T414 VanDerWaalsContact OE1-O 3.14Å; K409-T414 HydrophobicContact CB-CG2 3.78Å; K409-T414 HydrophobicContact CD-CG2 3.81Å; K409-T414 HydrophobicContact CG-CG2 4.44Å; T414-E416 HydrophobicContact CG2-CB 4.13Å; T414-E416 PolarHBondContact O-N 2.94Å; T414-E416 WeakPolarHBondContact OG1-CB 3.48Å; T414-E416 WeakPolarHBondContact OG1-CG 3.42Å; T414-E416 PolarHBondContact OG1-N 3.01Å; T414-N417 WeakPolarHBondContact CG2-ND2 3.47Å; T414-N417 WeakPolarHBondContact O-CB 3.44Å; T414-N417 PolarHBondContact O-N 3.47Å; T414-N417 PolarHBondContact O-ND2 3.17Å
415	L	98.1	Very high	96.6	Very high	33 Å²	33	72 Å²	72	17%	0.173	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-67.3	-14.4	176.1	-55.7	-169.4	0	0	0	112.6	V328 V355 F359 E362 N417 F418 E419	V328-L415 HydrophobicContact CG1-CD1 4.18Å; V328-L415 HydrophobicContact CG2-CD1 4.37Å; V328-L415 HydrophobicContact CG2-CG 4.32Å; V355-L415 HydrophobicContact CG1-CD1 4.26Å; F359-L415 HydrophobicContact CB-CD2 4.16Å; E362-L415 HydrophobicContact CB-CD2 3.97Å; E362-L415 HydrophobicContact CG-CD2 4.27Å; L415-N417 PolarHBondContact O-N 3.15Å; L415-F418 CarbonylContact O-C 3.49Å; L415-F418 PolarHBondContact O-N 3.08Å; L415-E419 PolarHBondContact O-N 3.12Å
416	E	97.4	Very high	96.9	Very high	82 Å²	82	72.4 Å²	72.4	38%	0.383	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-55.4	-31.2	172.5	-68.8	176.8	-139.2	0	0	112.3	K409 T414 F418 E419	K409-E416 WeakPolarHBondContact CE-OE2 3.41Å; K409-E416 IonicContact NZ-OE1 2.71Å; K409-E416 PolarHBondContact NZ-OE1 3.32Å; K409-E416 IonicContact NZ-OE2 3.4Å; K409-E416 PolarHBondContact NZ-OE2 3.28Å; T414-E416 HydrophobicContact CG2-CB 4.13Å; T414-E416 PolarHBondContact O-N 2.94Å; T414-E416 WeakPolarHBondContact OG1-CB 3.48Å; T414-E416 WeakPolarHBondContact OG1-CG 3.42Å; T414-E416 PolarHBondContact OG1-N 3.01Å; E416-F418 PolarHBondContact O-N 3.2Å; E416-F418 VanDerWaalsContact O-N 3.1Å; E416-E419 PolarHBondContact O-N 3.3Å
417	N	98.2	Very high	96.9	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-60.1	-20.4	175.6	-76.2	-41.6	0	0	0	113	E362 R365 F407 P408 K409 T414 L415	E362-N417 PolarHBondContact OE1-ND2 2.81Å; E362-N417 WeakPolarHBondContact OE2-CB 3.37Å; E362-N417 PolarHBondContact OE2-ND2 3.12Å; R365-N417 PolarHBondContact NH2-ND2 3.27Å; F407-N417 HydrophobicContact CD1-CB 3.81Å; F407-N417 HydrophobicContact CE1-CB 4.43Å; P408-N417 VanDerWaalsContact CD-OD1 3.24Å; P408-N417 WeakPolarHBondContact CD-OD1 3.5Å; P408-N417 WeakPolarHBondContact CG-OD1 3.42Å; K409-N417 PolarHBondContact N-OD1 3.49Å; K409-N417 PolarHBondContact O-ND2 2.84Å; K409-N417 PolarHBondContact O-OD1 3.42Å; T414-N417 WeakPolarHBondContact CG2-ND2 3.47Å; T414-N417 WeakPolarHBondContact O-CB 3.44Å; T414-N417 PolarHBondContact O-N 3.47Å; T414-N417 PolarHBondContact O-ND2 3.17Å; L415-N417 PolarHBondContact O-N 3.15Å
418	F	98.1	Very high	96.9	Very high	12 Å²	12	68.4 Å²	68.4	5%	0.053	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-123.2	15.1	-178.7	-72.6	-89.7	0	0	0	113.6	N358 N361 E362 R365 F407 L415 E416 K420 V422 F427	N358-F418 HydrophobicContact CB-CB 4.17Å; N358-F418 PolarHBondContact ND2-O 3.19Å; N361-F418 HydrophobicContact CB-CD1 3.91Å; N361-F418 HydrophobicContact CB-CD2 4.45Å; N361-F418 HydrophobicContact CB-CE1 3.57Å; N361-F418 HydrophobicContact CB-CE2 4.15Å; N361-F418 HydrophobicContact CB-CG 4.35Å; N361-F418 HydrophobicContact CB-CZ 3.7Å; E362-F418 HydrophobicContact CB-CD2 3.88Å; E362-F418 HydrophobicContact CB-CE2 4.03Å; E362-F418 WeakPolarHBondContact OE2-CD2 3.31Å; E362-F418 WeakPolarHBondContact OE2-CE2 3.32Å; R365-F418 HydrophobicContact CB-CE2 4.2Å; R365-F418 HydrophobicContact CB-CZ 4.36Å; F407-F418 HydrophobicContact CE1-CD2 4.32Å; F407-F418 HydrophobicContact CE1-CE1 4.08Å; F407-F418 AromaticContact CE1-CE2 3.67Å; F407-F418 HydrophobicContact CE1-CE2 3.67Å; F407-F418 AromaticContact CE1-CZ 3.53Å; F407-F418 HydrophobicContact CE1-CZ 3.53Å; F407-F418 HydrophobicContact CZ-CE1 4.38Å; F407-F418 HydrophobicContact CZ-CE2 4.22Å; F407-F418 AromaticContact CZ-CZ 3.75Å; F407-F418 HydrophobicContact CZ-CZ 3.75Å; L415-F418 CarbonylContact O-C 3.49Å; L415-F418 PolarHBondContact O-N 3.08Å; E416-F418 PolarHBondContact O-N 3.2Å; E416-F418 VanDerWaalsContact O-N 3.1Å; F418-K420 VanDerWaalsContact C-N 3.31Å; F418-V422 HydrophobicContact CD1-CB 4.36Å; F418-V422 HydrophobicContact CD1-CG2 3.54Å; F418-V422 HydrophobicContact CE1-CB 4.25Å; F418-V422 HydrophobicContact CE1-CG2 3.76Å; F418-V422 HydrophobicContact CG-CG2 4.24Å; F418-F427 AromaticContact CE1-CD1 3.72Å; F418-F427 HydrophobicContact CE1-CD1 3.72Å; F418-F427 AromaticContact CE1-CE1 3.75Å; F418-F427 HydrophobicContact CE1-CE1 3.75Å; F418-F427 HydrophobicContact CE1-CG 4.25Å; F418-F427 HydrophobicContact CE1-CZ 4.33Å; F418-F427 AromaticContact CZ-CD1 3.87Å; F418-F427 HydrophobicContact CZ-CD1 3.87Å; F418-F427 HydrophobicContact CZ-CD2 4.18Å; F418-F427 AromaticContact CZ-CE1 3.7Å; F418-F427 HydrophobicContact CZ-CE1 3.7Å; F418-F427 HydrophobicContact CZ-CE2 4.05Å; F418-F427 HydrophobicContact CZ-CG 4.1Å; F418-F427 AromaticContact CZ-CZ 3.8Å; F418-F427 HydrophobicContact CZ-CZ 3.8Å
419	E	93.4	Very high	97	Very high	150 Å²	150	65.3 Å²	65.3	70%	0.701	31%	0.311	S	S	*	.	S	Bend	trans	-62.8	-39.8	172.7	-87.3	178.4	-173.1	0	0	112	L415 E416	L415-E419 PolarHBondContact O-N 3.12Å; E416-E419 PolarHBondContact O-N 3.3Å
420	K	94.2	Very high	97	Very high	170 Å²	170	64.2 Å²	64.2	74%	0.739	31%	0.306	S	S	*	.	S	Bend	trans	-95.2	149.6	173	-65.5	-178.5	-177.4	175.5	0	109.8	F418 V422	F418-K420 VanDerWaalsContact C-N 3.31Å; K420-V422 PolarHBondContact O-N 3.43Å; K420-V422 VanDerWaalsContact O-N 3.09Å
421	N	94.7	Very high	97	Very high	149 Å²	149	63.2 Å²	63.2	80%	0.797	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-58.4	117.3	174.7	-174.6	45.6	0	0	0	110.6	Y406 P423	Y406-N421 PolarHBondContact OH-O 2.81Å; N421-P423 WeakPolarHBondContact O-CD 3.43Å
422	V	97.2	Very high	97.1	Very high	19 Å²	19	59.3 Å²	59.3	12%	0.115	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-84.1	120.3	-178.3	-179.3	0	0	0	0	109.3	Y406 F407 F418 K420 Y424 F427	Y406-V422 HydrophobicContact CD1-CG1 3.85Å; Y406-V422 HydrophobicContact CE1-CB 4.04Å; Y406-V422 HydrophobicContact CE1-CG1 3.58Å; Y406-V422 HydrophobicContact CE1-CG2 3.92Å; F407-V422 HydrophobicContact CE1-CG1 4.1Å; F407-V422 HydrophobicContact CE1-CG2 4.08Å; F407-V422 HydrophobicContact CZ-CG1 4.04Å; F418-V422 HydrophobicContact CD1-CB 4.36Å; F418-V422 HydrophobicContact CD1-CG2 3.54Å; F418-V422 HydrophobicContact CE1-CB 4.25Å; F418-V422 HydrophobicContact CE1-CG2 3.76Å; F418-V422 HydrophobicContact CG-CG2 4.24Å; K420-V422 PolarHBondContact O-N 3.43Å; K420-V422 VanDerWaalsContact O-N 3.09Å; V422-Y424 PolarHBondContact O-N 2.9Å; V422-F427 HydrophobicContact CG1-CB 3.67Å
423	P	97.6	Very high	97.1	Very high	50 Å²	50	55.7 Å²	55.7	33%	0.325	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-59.9	125.8	173.9	-20.2	30.7	0	0	0	109.6	Y406 N421 R425 Y426	Y406-P423 HydrophobicContact CE2-CG 3.85Å; Y406-P423 WeakPolarHBondContact OH-CD 3.23Å; N421-P423 WeakPolarHBondContact O-CD 3.43Å; P423-R425 HydrophobicContact CB-CG 4.06Å; P423-R425 PolarHBondContact O-N 3.46Å; P423-Y426 HydrophobicContact CB-CD2 3.96Å; P423-Y426 HydrophobicContact CB-CE2 4.45Å; P423-Y426 HydrophobicContact CG-CD2 4.12Å; P423-Y426 HydrophobicContact CG-CE2 4.5Å; P423-Y426 PolarHBondContact O-N 3.24Å
424	Y	94.5	Very high	97.1	Very high	136 Å²	136	57.7 Å²	57.7	53%	0.533	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.2	-176.8	76.1	-88	0	0	0	112.1	F104 V422 Y426 F427 Q428 F432	F104-Y424 HydrophobicContact CD2-CE2 4.41Å; F104-Y424 HydrophobicContact CE2-CD2 4.44Å; F104-Y424 AromaticContact CE2-CE2 3.54Å; F104-Y424 HydrophobicContact CE2-CE2 3.54Å; F104-Y424 AromaticContact CE2-CZ 3.8Å; F104-Y424 HydrophobicContact CZ-CE2 4.37Å; V422-Y424 PolarHBondContact O-N 2.9Å; Y424-Y426 PolarHBondContact O-N 2.78Å; Y424-F427 CarbonylContact O-C 3.59Å; Y424-F427 VanDerWaalsContact O-C 3.3Å; Y424-F427 PolarHBondContact O-N 3.45Å; Y424-Q428 VanDerWaalsContact C-NE2 3.34Å; Y424-Q428 WeakPolarHBondContact O-CG 3.33Å; Y424-Q428 PolarHBondContact O-NE2 3.25Å; Y424-F432 HydrophobicContact CD2-CG 4.45Å; Y424-F432 AromaticContact CE2-CD2 3.98Å; Y424-F432 HydrophobicContact CE2-CD2 3.98Å; Y424-F432 HydrophobicContact CE2-CE2 4.15Å; Y424-F432 HydrophobicContact CE2-CG 4.18Å; Y424-F432 HydrophobicContact CE2-CZ 4.47Å
425	R	96	Very high	97.1	Very high	99 Å²	99	56.8 Å²	56.8	37%	0.374	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-55.3	-25	176.4	67.3	174.4	-69.6	171	-0.4	114.9	M103 F104 P423	M103-R425 VanDerWaalsContact CE-O 3.28Å; M103-R425 WeakPolarHBondContact CE-O 3.42Å; F104-R425 HydrophobicContact CD2-CB 3.47Å; F104-R425 VanDerWaalsContact CD2-CB 3.47Å; F104-R425 HydrophobicContact CE2-CB 3.64Å; F104-R425 HydrophobicContact CG-CB 4.35Å; P423-R425 HydrophobicContact CB-CG 4.06Å; P423-R425 PolarHBondContact O-N 3.46Å
426	Y	97.9	Very high	97.1	Very high	62 Å²	62	55.8 Å²	55.8	24%	0.243	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-99.1	-16	178.1	-63.6	-67.5	0	0	0	113.6	S100 E405 Y406 P423 Y424	S100-Y426 WeakPolarHBondContact OG-CE1 3.41Å; E405-Y426 HydrophobicContact CB-CD1 4.46Å; Y406-Y426 AromaticContact CD2-CD2 3.37Å; Y406-Y426 HydrophobicContact CD2-CD2 3.37Å; Y406-Y426 AromaticContact CD2-CE2 3.94Å; Y406-Y426 HydrophobicContact CD2-CE2 3.94Å; Y406-Y426 AromaticContact CD2-CG 3.76Å; Y406-Y426 HydrophobicContact CD2-CG 3.76Å; Y406-Y426 HydrophobicContact CE2-CD2 4.02Å; Y406-Y426 AromaticContact CG-CD2 3.94Å; Y406-Y426 HydrophobicContact CG-CD2 3.94Å; Y406-Y426 AromaticContact CG-CG 3.85Å; Y406-Y426 HydrophobicContact CG-CG 3.85Å; P423-Y426 HydrophobicContact CB-CD2 3.96Å; P423-Y426 HydrophobicContact CB-CE2 4.45Å; P423-Y426 HydrophobicContact CG-CD2 4.12Å; P423-Y426 HydrophobicContact CG-CE2 4.5Å; P423-Y426 PolarHBondContact O-N 3.24Å; Y424-Y426 PolarHBondContact O-N 2.78Å
427	F	98.5	Very high	97.2	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.075	27%	0.273	C	S	.	.			trans	-130.9	109.9	178.9	-177.6	-121.6	0	0	0	111.4	N361 R365 H402 F407 F418 V422 Y424 P429	N361-F427 HydrophobicContact CB-CE1 3.86Å; N361-F427 HydrophobicContact CB-CZ 4.15Å; N361-F427 WeakPolarHBondContact O-CZ 3.5Å; R365-F427 HydrophobicContact CB-CD2 4.37Å; R365-F427 HydrophobicContact CB-CE2 3.64Å; R365-F427 HydrophobicContact CB-CZ 4.29Å; R365-F427 HydrophobicContact CG-CD2 4.29Å; R365-F427 HydrophobicContact CG-CE2 4.05Å; H402-F427 AromaticContact CD2-CD2 3.94Å; H402-F427 AromaticContact CE1-CD2 3.77Å; H402-F427 AromaticContact CE1-CE2 3.83Å; H402-F427 AromaticContact ND1-CD2 3.9Å; H402-F427 AromaticContact ND1-CE2 3.83Å; H402-F427 AromaticContact NE2-CD2 3.81Å; F407-F427 HydrophobicContact CE2-CB 4.33Å; F407-F427 HydrophobicContact CE2-CD2 4.17Å; F407-F427 HydrophobicContact CZ-CB 3.82Å; F407-F427 AromaticContact CZ-CD2 3.73Å; F407-F427 HydrophobicContact CZ-CD2 3.73Å; F407-F427 AromaticContact CZ-CG 3.89Å; F407-F427 HydrophobicContact CZ-CG 3.89Å; F418-F427 AromaticContact CE1-CD1 3.72Å; F418-F427 HydrophobicContact CE1-CD1 3.72Å; F418-F427 AromaticContact CE1-CE1 3.75Å; F418-F427 HydrophobicContact CE1-CE1 3.75Å; F418-F427 HydrophobicContact CE1-CG 4.25Å; F418-F427 HydrophobicContact CE1-CZ 4.33Å; F418-F427 AromaticContact CZ-CD1 3.87Å; F418-F427 HydrophobicContact CZ-CD1 3.87Å; F418-F427 HydrophobicContact CZ-CD2 4.18Å; F418-F427 AromaticContact CZ-CE1 3.7Å; F418-F427 HydrophobicContact CZ-CE1 3.7Å; F418-F427 HydrophobicContact CZ-CE2 4.05Å; F418-F427 HydrophobicContact CZ-CG 4.1Å; F418-F427 AromaticContact CZ-CZ 3.8Å; F418-F427 HydrophobicContact CZ-CZ 3.8Å; V422-F427 HydrophobicContact CG1-CB 3.67Å; Y424-F427 CarbonylContact O-C 3.59Å; Y424-F427 VanDerWaalsContact O-C 3.3Å; Y424-F427 PolarHBondContact O-N 3.45Å; F427-P429 HydrophobicContact CD1-CG 4.2Å; F427-P429 HydrophobicContact CE1-CB 4.41Å; F427-P429 HydrophobicContact CE1-CG 3.56Å; F427-P429 HydrophobicContact CE2-CB 4.19Å; F427-P429 HydrophobicContact CE2-CG 4.11Å; F427-P429 HydrophobicContact CZ-CB 3.86Å; F427-P429 HydrophobicContact CZ-CG 3.51Å
428	Q	98.3	Very high	97.2	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.047	28%	0.277	C	S	.	.			trans	-131.3	63.7	-172.4	-74.3	-57.9	-54.6	0	0	112.6	M103 I398 M401 H402 Y424 F430 G431 F432	M103-Q428 HydrophobicContact CE-CB 4.1Å; M103-Q428 HydrophobicContact CE-CG 3.5Å; M103-Q428 VanDerWaalsContact CE-CG 3.5Å; M103-Q428 HydrophobicContact SD-CB 4.11Å; M103-Q428 HydrophobicContact SD-CG 3.79Å; I398-Q428 WeakPolarHBondContact CD1-O 3.04Å; M401-Q428 HydrophobicContact CE-CB 4.36Å; H402-Q428 PolarHBondContact NE2-N 3.01Å; H402-Q428 VanDerWaalsContact NE2-N 3.16Å; Y424-Q428 VanDerWaalsContact C-NE2 3.34Å; Y424-Q428 WeakPolarHBondContact O-CG 3.33Å; Y424-Q428 PolarHBondContact O-NE2 3.25Å; Q428-F430 PolarHBondContact O-N 2.96Å; Q428-G431 PolarHBondContact O-N 3.19Å; Q428-G431 PolarHBondContact OE1-O 3.43Å; Q428-F432 HydrophobicContact CG-CD1 4.16Å; Q428-F432 VanDerWaalsContact OE1-CD1 3.25Å; Q428-F432 VanDerWaalsContact OE1-N 3.13Å
429	P	98.1	Very high	97.2	Very high	27 Å²	27	54.8 Å²	54.8	18%	0.175	28%	0.281	C	S	.	.	S	Bend	trans	-65.8	-28.3	179.7	29.1	-36.8	0	0	0	112.6	M364 F427	M364-P429 HydrophobicContact CB-CB 4.23Å; M364-P429 HydrophobicContact CE-CB 3.85Å; M364-P429 HydrophobicContact CE-CG 3.92Å; M364-P429 HydrophobicContact SD-CB 4.11Å; F427-P429 HydrophobicContact CD1-CG 4.2Å; F427-P429 HydrophobicContact CE1-CB 4.41Å; F427-P429 HydrophobicContact CE1-CG 3.56Å; F427-P429 HydrophobicContact CE2-CB 4.19Å; F427-P429 HydrophobicContact CE2-CG 4.11Å; F427-P429 HydrophobicContact CZ-CB 3.86Å; F427-P429 HydrophobicContact CZ-CG 3.51Å
430	F	98.6	Very high	97.4	Very high	49 Å²	49	50 Å²	50	22%	0.215	26%	0.258	C	S	.	.	S	Bend	trans	-111.6	-1.6	-179.3	-62.5	-65.7	0	0	0	113.7	M364 Q428 C437 K440 A443 M444 M447	M364-F430 HydrophobicContact CE-CE2 3.81Å; M364-F430 HydrophobicContact CE-CZ 4.01Å; M364-F430 HydrophobicContact SD-CE1 4.31Å; M364-F430 HydrophobicContact SD-CE2 4.02Å; M364-F430 HydrophobicContact SD-CZ 3.6Å; M364-F430 VanDerWaalsContact SD-CZ 3.6Å; Q428-F430 PolarHBondContact O-N 2.96Å; F430-C437 HydrophobicContact CB-CB 3.92Å; F430-C437 HydrophobicContact CD1-CB 4.31Å; F430-C437 WeakPolarHBondContact O-CB 3Å; F430-C437 PolarHBondContact O-N 2.94Å; F430-K440 HydrophobicContact CB-CB 3.61Å; F430-K440 HydrophobicContact CD1-CB 4.3Å; F430-K440 HydrophobicContact CD2-CB 4.12Å; F430-K440 HydrophobicContact CG-CB 3.76Å; F430-A443 HydrophobicContact CE1-CB 4.11Å; F430-A443 HydrophobicContact CZ-CB 4.26Å; F430-M444 HydrophobicContact CE2-CG 3.95Å; F430-M444 HydrophobicContact CE2-SD 3.81Å; F430-M444 HydrophobicContact CZ-CG 4.37Å; F430-M444 HydrophobicContact CZ-SD 4.15Å; F430-M447 HydrophobicContact CZ-CE 3.95Å
431	G	97.8	Very high	97.6	Very high	8 Å²	8	48 Å²	48	8%	0.082	25%	0.247	C	C	.	.			trans	60.1	176.9	-164.3	0	0	0	0	0	114.1	M107 Q428	M107-G431 WeakPolarHBondContact SD-CA 3.35Å; Q428-G431 PolarHBondContact O-N 3.19Å; Q428-G431 PolarHBondContact OE1-O 3.43Å
432	F	98	Very high	97.7	Very high	25 Å²	25	41.2 Å²	41.2	11%	0.11	21%	0.21	C	C	.	.			trans	-141	-178.6	177.7	78.9	-75.2	0	0	0	111.6	M103 F104 M107 K108 Y424 Q428	M103-F432 HydrophobicContact SD-CE1 4.39Å; F104-F432 HydrophobicContact CB-CE1 4.49Å; F104-F432 HydrophobicContact CB-CZ 4.37Å; F104-F432 HydrophobicContact CD1-CZ 4.25Å; F104-F432 AromaticContact CD2-CE1 3.58Å; F104-F432 HydrophobicContact CD2-CE1 3.58Å; F104-F432 HydrophobicContact CD2-CE2 4.16Å; F104-F432 AromaticContact CD2-CZ 3.24Å; F104-F432 HydrophobicContact CD2-CZ 3.24Å; F104-F432 HydrophobicContact CE1-CZ 4.38Å; F104-F432 HydrophobicContact CE2-CE1 4.06Å; F104-F432 AromaticContact CE2-CE2 3.89Å; F104-F432 HydrophobicContact CE2-CE2 3.89Å; F104-F432 AromaticContact CE2-CZ 3.42Å; F104-F432 HydrophobicContact CE2-CZ 3.42Å; F104-F432 VanDerWaalsContact CE2-CZ 3.42Å; F104-F432 HydrophobicContact CG-CE1 4.17Å; F104-F432 AromaticContact CG-CZ 3.7Å; F104-F432 HydrophobicContact CG-CZ 3.7Å; F104-F432 HydrophobicContact CZ-CE2 4.23Å; F104-F432 HydrophobicContact CZ-CZ 4.01Å; F104-F432 VanDerWaalsContact O-CZ 3.3Å; F104-F432 WeakPolarHBondContact O-CZ 3.19Å; M107-F432 HydrophobicContact CB-CD1 3.69Å; M107-F432 HydrophobicContact CB-CE1 3.44Å; M107-F432 VanDerWaalsContact CB-CE1 3.44Å; M107-F432 HydrophobicContact CB-CG 4.42Å; M107-F432 HydrophobicContact CB-CZ 3.96Å; M107-F432 HydrophobicContact CG-CD1 4.45Å; M107-F432 HydrophobicContact CG-CE1 4.36Å; M107-F432 HydrophobicContact SD-CD1 3.96Å; M107-F432 HydrophobicContact SD-CE1 4.31Å; K108-F432 HydrophobicContact CB-CE2 3.92Å; K108-F432 HydrophobicContact CB-CZ 4.01Å; Y424-F432 HydrophobicContact CD2-CG 4.45Å; Y424-F432 AromaticContact CE2-CD2 3.98Å; Y424-F432 HydrophobicContact CE2-CD2 3.98Å; Y424-F432 HydrophobicContact CE2-CE2 4.15Å; Y424-F432 HydrophobicContact CE2-CG 4.18Å; Y424-F432 HydrophobicContact CE2-CZ 4.47Å; Q428-F432 HydrophobicContact CG-CD1 4.16Å; Q428-F432 VanDerWaalsContact OE1-CD1 3.25Å; Q428-F432 VanDerWaalsContact OE1-N 3.13Å
433	G	97.3	Very high	97.8	Very high	33 Å²	33	40.9 Å²	40.9	34%	0.34	21%	0.209	S	C	.	.	S	Bend	trans	77.8	-165.2	179.2	0	0	0	0	0	113.3	R435 S436	G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.01Å; G433-R435 VanDerWaalsContact O-N 3.16Å; G433-S436 PolarHBondContact O-N 3.48Å
434	P	97.6	Very high	97.8	Very high	53 Å²	53	39.8 Å²	39.8	34%	0.344	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.4	-168.5	19	-32.1	0	0	0	113.7	I113 W141 R145	I113-P434 HydrophobicContact CG2-CB 3.7Å; I113-P434 HydrophobicContact CG2-CG 3.45Å; I113-P434 VanDerWaalsContact CG2-CG 3.45Å; W141-P434 VanDerWaalsContact CH2-O 3.29Å; W141-P434 WeakPolarHBondContact CH2-O 3.28Å; R145-P434 VanDerWaalsContact CZ-O 3.26Å; R145-P434 PolarHBondContact NE-O 2.89Å; R145-P434 PolarHBondContact NH2-O 3.36Å; R145-P434 VanDerWaalsContact NH2-O 3.12Å
435	R	98.3	Very high	98	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	35.6	-178.8	-165	156.2	-176.6	159	4.7	113.2	I113 I132 I133 N135 W141 R375 G433	I113-R435 VanDerWaalsContact C-CD 3.41Å; I113-R435 HydrophobicContact CB-CB 4.39Å; I113-R435 HydrophobicContact CG2-CB 4.35Å; I113-R435 WeakPolarHBondContact O-CD 3.33Å; I113-R435 PolarHBondContact O-NH1 3.07Å; I132-R435 PolarHBondContact O-NH2 3.45Å; I132-R435 VanDerWaalsContact O-NH2 3.14Å; I133-R435 PolarHBondContact O-NH2 3.46Å; N135-R435 VanDerWaalsContact O-CZ 3.28Å; N135-R435 PolarHBondContact O-NH1 3.3Å; N135-R435 PolarHBondContact O-NH2 3.06Å; W141-R435 HydrophobicContact CH2-CB 3.95Å; W141-R435 HydrophobicContact CH2-CG 4.3Å; W141-R435 HydrophobicContact CZ2-CB 3.59Å; W141-R435 HydrophobicContact CZ2-CG 3.49Å; W141-R435 VanDerWaalsContact CZ2-CG 3.49Å; R375-R435 PolarHBondContact NH2-O 3.24Å; G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.01Å; G433-R435 VanDerWaalsContact O-N 3.16Å
436	S	97.7	Very high	98.2	Very high	11 Å²	11	29.3 Å²	29.3	8%	0.077	16%	0.161	C	C	.	.	S	Bend	trans	-63.1	168.3	169	72.2	0	0	0	0	112.1	R145 G433 A438	R145-S436 PolarHBondContact NH1-O 2.82Å; R145-S436 PolarHBondContact NH2-O 2.62Å; G433-S436 PolarHBondContact O-N 3.48Å; S436-A438 PolarHBondContact O-N 3.26Å
437	C	98.7	Very high	98.2	Very high	53 Å²	53	26.5 Å²	26.5	36%	0.358	15%	0.15	S	C	.	.			trans	-50.7	130.4	162.7	-179.3	0	0	0	0	109.6	F430 G439 K440	F430-C437 HydrophobicContact CB-CB 3.92Å; F430-C437 HydrophobicContact CD1-CB 4.31Å; F430-C437 WeakPolarHBondContact O-CB 3Å; F430-C437 PolarHBondContact O-N 2.94Å; C437-G439 PolarHBondContact SG-N 3.07Å; C437-G439 VanDerWaalsContact SG-N 3.41Å; C437-K440 HydrophobicContact CB-CB 4.26Å
438	A	98.5	Very high	98.2	Very high	11 Å²	11	25.9 Å²	25.9	9%	0.091	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-35.4	177.6	0	0	0	0	0	110.9	I132 F148 M149 L152 S436 K440	I132-A438 HydrophobicContact CD1-CB 4.4Å; F148-A438 HydrophobicContact CB-CB 4.35Å; M149-A438 HydrophobicContact SD-CB 3.91Å; L152-A438 HydrophobicContact CD1-CB 3.67Å; S436-A438 PolarHBondContact O-N 3.26Å; A438-K440 VanDerWaalsContact C-N 3.35Å; A438-K440 PolarHBondContact O-N 3.24Å
439	G	98.1	Very high	98.2	Very high	14 Å²	14	25.4 Å²	25.4	14%	0.144	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	13.4	-179.1	0	0	0	0	0	115.3	C437 Y441 I442 A443	C437-G439 PolarHBondContact SG-N 3.07Å; C437-G439 VanDerWaalsContact SG-N 3.41Å; G439-Y441 VanDerWaalsContact C-N 3.26Å; G439-Y441 PolarHBondContact O-N 3.31Å; G439-Y441 VanDerWaalsContact O-N 3.13Å; G439-I442 VanDerWaalsContact O-CG2 3.32Å; G439-I442 WeakPolarHBondContact O-CG2 3.48Å; G439-I442 PolarHBondContact O-N 3.26Å; G439-A443 WeakPolarHBondContact O-CB 3.41Å; G439-A443 PolarHBondContact O-N 3.41Å
440	K	97.6	Very high	98.3	Very high	48 Å²	48	24.2 Å²	24.2	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-36	-170.6	62.7	170.4	169.1	157.3	0	114.8	F430 C437 A438	F430-K440 HydrophobicContact CB-CB 3.61Å; F430-K440 HydrophobicContact CD1-CB 4.3Å; F430-K440 HydrophobicContact CD2-CB 4.12Å; F430-K440 HydrophobicContact CG-CB 3.76Å; C437-K440 HydrophobicContact CB-CB 4.26Å; A438-K440 VanDerWaalsContact C-N 3.35Å; A438-K440 PolarHBondContact O-N 3.24Å
441	Y	97.9	Very high	98.3	Very high	130 Å²	130	22 Å²	22	51%	0.51	13%	0.127	S	C	.	.	H	α-helix	trans	-84.3	-46.4	-178.4	-59.4	-58.6	0	0	0	111.4	G439 A443 M444 V445	G439-Y441 VanDerWaalsContact C-N 3.26Å; G439-Y441 PolarHBondContact O-N 3.31Å; G439-Y441 VanDerWaalsContact O-N 3.13Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 3.46Å; Y441-M444 PolarHBondContact O-N 2.89Å; Y441-V445 WeakPolarHBondContact O-CG2 3.48Å; Y441-V445 PolarHBondContact O-N 2.93Å
442	I	98.1	Very high	98.3	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-32.8	178.9	-163.8	169.6	0	0	0	112	L152 L157 M160 L202 F203 G439 V445 M446	L152-I442 HydrophobicContact CB-CG2 4.28Å; L152-I442 HydrophobicContact CD2-CD1 4.27Å; L152-I442 HydrophobicContact CD2-CG2 3.8Å; L157-I442 HydrophobicContact CD1-CB 4.37Å; M160-I442 HydrophobicContact CB-CD1 3.82Å; M160-I442 HydrophobicContact CB-CG1 3.93Å; M160-I442 HydrophobicContact CE-CD1 3.97Å; M160-I442 HydrophobicContact CG-CD1 3.83Å; M160-I442 HydrophobicContact CG-CG1 3.68Å; L202-I442 HydrophobicContact CD2-CD1 4Å; F203-I442 HydrophobicContact CZ-CD1 4.19Å; G439-I442 VanDerWaalsContact O-CG2 3.32Å; G439-I442 WeakPolarHBondContact O-CG2 3.48Å; G439-I442 PolarHBondContact O-N 3.26Å; I442-V445 WeakPolarHBondContact O-CB 3.41Å; I442-V445 PolarHBondContact O-N 3.01Å; I442-M446 HydrophobicContact CG1-CG 4.44Å; I442-M446 HydrophobicContact CG1-SD 4.3Å; I442-M446 VanDerWaalsContact O-CG 3.32Å; I442-M446 WeakPolarHBondContact O-CG 3.43Å; I442-M446 PolarHBondContact O-N 3.39Å
443	A	98.6	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-43.9	174	0	0	0	0	0	112.1	M311 F430 G439 Y441 V445 M446 M447	M311-A443 HydrophobicContact SD-CB 3.7Å; F430-A443 HydrophobicContact CE1-CB 4.11Å; F430-A443 HydrophobicContact CZ-CB 4.26Å; G439-A443 WeakPolarHBondContact O-CB 3.41Å; G439-A443 PolarHBondContact O-N 3.41Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 3.46Å; A443-V445 VanDerWaalsContact C-N 3.31Å; A443-V445 PolarHBondContact O-N 3.01Å; A443-M446 PolarHBondContact O-N 3.29Å; A443-M447 HydrophobicContact CB-CE 4.44Å; A443-M447 WeakPolarHBondContact O-CB 3.44Å; A443-M447 WeakPolarHBondContact O-CE 3.49Å; A443-M447 WeakPolarHBondContact O-CG 3.37Å; A443-M447 PolarHBondContact O-N 3.02Å
444	M	98.6	Very high	98.3	Very high	27 Å²	27	19.3 Å²	19.3	13%	0.133	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-39.1	175.3	-71.8	-61.7	-61	0	0	112.1	E357 I360 M364 F430 Y441 M447 K448	E357-M444 HydrophobicContact CG-CE 3.93Å; I360-M444 HydrophobicContact CB-CE 4.16Å; I360-M444 HydrophobicContact CD1-CE 4.41Å; I360-M444 HydrophobicContact CG2-CE 3.6Å; I360-M444 HydrophobicContact CG2-SD 3.58Å; I360-M444 VanDerWaalsContact CG2-SD 3.58Å; M364-M444 HydrophobicContact CE-SD 4.09Å; F430-M444 HydrophobicContact CE2-CG 3.95Å; F430-M444 HydrophobicContact CE2-SD 3.81Å; F430-M444 HydrophobicContact CZ-CG 4.37Å; F430-M444 HydrophobicContact CZ-SD 4.15Å; Y441-M444 PolarHBondContact O-N 2.89Å; M444-M447 HydrophobicContact SD-CE 3.69Å; M444-K448 WeakPolarHBondContact O-CB 3Å; M444-K448 VanDerWaalsContact O-CG 3.31Å; M444-K448 WeakPolarHBondContact O-CG 3.33Å; M444-K448 PolarHBondContact O-N 3.21Å; M444-K448 VanDerWaalsContact O-N 3.12Å
445	V	98.4	Very high	98.3	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-52.7	175.1	173.8	0	0	0	0	110.4	L157 V161 I350 Y441 I442 A443 M447 K448 V449	L157-V445 HydrophobicContact CD1-CG2 4.35Å; L157-V445 HydrophobicContact CD2-CG2 3.95Å; L157-V445 HydrophobicContact CG-CG2 4.12Å; V161-V445 HydrophobicContact CG2-CG1 3.47Å; V161-V445 VanDerWaalsContact CG2-CG1 3.47Å; I350-V445 HydrophobicContact CD1-CG1 4.42Å; I350-V445 HydrophobicContact CG2-CG2 4.19Å; Y441-V445 WeakPolarHBondContact O-CG2 3.48Å; Y441-V445 PolarHBondContact O-N 2.93Å; I442-V445 WeakPolarHBondContact O-CB 3.41Å; I442-V445 PolarHBondContact O-N 3.01Å; A443-V445 VanDerWaalsContact C-N 3.31Å; A443-V445 PolarHBondContact O-N 3.01Å; V445-M447 PolarHBondContact O-N 2.98Å; V445-K448 PolarHBondContact O-N 3.34Å; V445-V449 HydrophobicContact CG1-CG2 4.38Å; V445-V449 WeakPolarHBondContact O-CG2 3.44Å; V445-V449 PolarHBondContact O-N 3.3Å
446	M	98.7	Very high	98.2	Very high	6 Å²	6	19 Å²	19	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-46	-178.4	-70.5	176.8	75.4	0	0	111.9	M160 C164 M195 A198 M311 I442 A443 K448 V449 I450	M160-M446 HydrophobicContact CE-CE 3.92Å; M160-M446 HydrophobicContact CE-CG 4.49Å; M160-M446 HydrophobicContact CE-SD 3.6Å; M160-M446 VanDerWaalsContact CE-SD 3.6Å; M160-M446 HydrophobicContact CG-CG 3.41Å; M160-M446 VanDerWaalsContact CG-CG 3.41Å; M160-M446 HydrophobicContact CG-SD 3.78Å; M160-M446 HydrophobicContact SD-CE 3.87Å; M160-M446 HydrophobicContact SD-CG 3.9Å; M160-M446 HydrophobicContact SD-SD 3.75Å; C164-M446 HydrophobicContact CB-CG 4.44Å; M195-M446 HydrophobicContact SD-CE 4.11Å; A198-M446 HydrophobicContact CB-CE 3.99Å; M311-M446 HydrophobicContact CE-CB 3.6Å; M311-M446 HydrophobicContact CE-CE 3.43Å; M311-M446 VanDerWaalsContact CE-CE 3.43Å; M311-M446 HydrophobicContact CE-CG 4.15Å; M311-M446 HydrophobicContact CE-SD 3.5Å; M311-M446 VanDerWaalsContact CE-SD 3.5Å; M311-M446 HydrophobicContact SD-CB 4.34Å; I442-M446 HydrophobicContact CG1-CG 4.44Å; I442-M446 HydrophobicContact CG1-SD 4.3Å; I442-M446 VanDerWaalsContact O-CG 3.32Å; I442-M446 WeakPolarHBondContact O-CG 3.43Å; I442-M446 PolarHBondContact O-N 3.39Å; A443-M446 PolarHBondContact O-N 3.29Å; M446-K448 VanDerWaalsContact C-N 3.32Å; M446-K448 PolarHBondContact O-N 3.11Å; M446-V449 PolarHBondContact O-N 3.47Å; M446-I450 WeakPolarHBondContact O-CB 3.45Å; M446-I450 VanDerWaalsContact O-CD1 3.3Å; M446-I450 WeakPolarHBondContact O-CD1 3.31Å; M446-I450 VanDerWaalsContact O-CG1 3.3Å; M446-I450 WeakPolarHBondContact O-CG1 3.22Å; M446-I450 PolarHBondContact O-N 3.29Å
447	M	98.8	Very high	98.1	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-41.1	177.2	-71.3	-175.5	-68.3	0	0	111.9	M311 T314 L315 M318 I360 M364 F430 A443 M444 V445 L451	M311-M447 HydrophobicContact SD-CG 4.3Å; T314-M447 HydrophobicContact CG2-SD 3.78Å; L315-M447 HydrophobicContact CD2-CB 4.41Å; L315-M447 HydrophobicContact CD2-CG 4.27Å; L315-M447 HydrophobicContact CG-CG 4.44Å; M318-M447 HydrophobicContact CE-SD 3.77Å; M318-M447 HydrophobicContact SD-SD 4.27Å; I360-M447 HydrophobicContact CD1-CB 3.86Å; I360-M447 HydrophobicContact CG1-CB 4.39Å; I360-M447 HydrophobicContact CG2-CE 3.63Å; I360-M447 HydrophobicContact CG2-SD 4.11Å; M364-M447 HydrophobicContact SD-CE 4.09Å; F430-M447 HydrophobicContact CZ-CE 3.95Å; A443-M447 HydrophobicContact CB-CE 4.44Å; A443-M447 WeakPolarHBondContact O-CB 3.44Å; A443-M447 WeakPolarHBondContact O-CE 3.49Å; A443-M447 WeakPolarHBondContact O-CG 3.37Å; A443-M447 PolarHBondContact O-N 3.02Å; M444-M447 HydrophobicContact SD-CE 3.69Å; V445-M447 PolarHBondContact O-N 2.98Å; M447-L451 WeakPolarHBondContact O-CB 3.12Å; M447-L451 WeakPolarHBondContact O-CG 3.37Å; M447-L451 PolarHBondContact O-N 3.24Å
448	K	98.8	Very high	98	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-49.2	174.2	-76.7	176.4	173.2	-176.3	0	111.5	I350 V356 E357 I360 M444 V445 M446 I450 L451 V452	I350-K448 HydrophobicContact CD1-CB 4.27Å; I350-K448 HydrophobicContact CG2-CD 3.75Å; I350-K448 PolarHBondContact O-NZ 3.44Å; V356-K448 HydrophobicContact CG1-CB 4.49Å; V356-K448 HydrophobicContact CG1-CG 3.95Å; E357-K448 IonicContact OE2-NZ 3.86Å; E357-K448 PolarHBondContact OE2-NZ 2.95Å; I360-K448 HydrophobicContact CD1-CB 4.47Å; I360-K448 HydrophobicContact CD1-CG 3.58Å; M444-K448 WeakPolarHBondContact O-CB 3Å; M444-K448 VanDerWaalsContact O-CG 3.31Å; M444-K448 WeakPolarHBondContact O-CG 3.33Å; M444-K448 PolarHBondContact O-N 3.21Å; M444-K448 VanDerWaalsContact O-N 3.12Å; V445-K448 PolarHBondContact O-N 3.34Å; M446-K448 VanDerWaalsContact C-N 3.32Å; M446-K448 PolarHBondContact O-N 3.11Å; K448-I450 PolarHBondContact O-N 2.79Å; K448-L451 PolarHBondContact O-N 2.83Å; K448-V452 WeakPolarHBondContact O-CB 3.48Å; K448-V452 WeakPolarHBondContact O-CG2 3.42Å; K448-V452 PolarHBondContact O-N 2.86Å
449	V	98.7	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.6	-48.2	179.5	170.7	0	0	0	0	111.3	V161 C164 E165 I345 I350 V445 M446 V452 T453	V161-V449 HydrophobicContact CB-CG2 4.41Å; V161-V449 HydrophobicContact CG1-CG2 3.98Å; V161-V449 HydrophobicContact CG2-CG2 4.48Å; C164-V449 HydrophobicContact CB-CG1 4.02Å; E165-V449 HydrophobicContact CB-CG1 3.89Å; I345-V449 HydrophobicContact CD1-CG2 4.06Å; I345-V449 HydrophobicContact CG2-CB 4.49Å; I345-V449 HydrophobicContact CG2-CG1 4.05Å; I345-V449 HydrophobicContact CG2-CG2 4.19Å; I350-V449 HydrophobicContact CD1-CG2 4.11Å; V445-V449 HydrophobicContact CG1-CG2 4.38Å; V445-V449 WeakPolarHBondContact O-CG2 3.44Å; V445-V449 PolarHBondContact O-N 3.3Å; M446-V449 PolarHBondContact O-N 3.47Å; V449-V452 PolarHBondContact O-N 3.46Å; V449-T453 WeakPolarHBondContact O-CB 3.46Å; V449-T453 PolarHBondContact O-N 3.39Å; V449-T453 PolarHBondContact O-OG1 3.17Å
450	I	98.6	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-49.6	-179.1	-70.3	156.3	0	0	0	111.2	I168 M191 M195 L315 M446 K448 V452 T453 L454	I168-I450 HydrophobicContact CD1-CB 4.04Å; I168-I450 HydrophobicContact CD1-CG1 4.22Å; I168-I450 HydrophobicContact CD1-CG2 3.71Å; I168-I450 WeakPolarHBondContact CD1-O 3.49Å; M191-I450 HydrophobicContact CE-CG2 4.46Å; M191-I450 HydrophobicContact SD-CG2 3.99Å; M195-I450 HydrophobicContact CE-CD1 3.22Å; M195-I450 HydrophobicContact CE-CG1 4.28Å; M195-I450 HydrophobicContact SD-CD1 3.93Å; L315-I450 HydrophobicContact CD1-CB 4.38Å; L315-I450 HydrophobicContact CD1-CD1 3.54Å; L315-I450 HydrophobicContact CD1-CG2 3.92Å; L315-I450 HydrophobicContact CD2-CB 4.31Å; L315-I450 HydrophobicContact CD2-CG2 3.84Å; L315-I450 HydrophobicContact CG-CG2 4.46Å; M446-I450 WeakPolarHBondContact O-CB 3.45Å; M446-I450 VanDerWaalsContact O-CD1 3.3Å; M446-I450 WeakPolarHBondContact O-CD1 3.31Å; M446-I450 VanDerWaalsContact O-CG1 3.3Å; M446-I450 WeakPolarHBondContact O-CG1 3.22Å; M446-I450 PolarHBondContact O-N 3.29Å; K448-I450 PolarHBondContact O-N 2.79Å; I450-V452 PolarHBondContact O-N 3.48Å; I450-T453 PolarHBondContact O-N 2.71Å; I450-L454 WeakPolarHBondContact O-CB 3.24Å; I450-L454 PolarHBondContact O-N 2.72Å
451	L	98.7	Very high	97.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-43.8	-179.9	-71.8	173	0	0	0	111.4	L315 M318 L319 I322 V356 F359 I360 M447 K448 L455	L315-L451 HydrophobicContact CD2-CD2 4.17Å; L315-L451 HydrophobicContact CD2-CG 4.05Å; M318-L451 HydrophobicContact CB-CD2 4.48Å; M318-L451 HydrophobicContact SD-CD1 4.14Å; L319-L451 HydrophobicContact CD2-CD2 4.37Å; I322-L451 HydrophobicContact CD1-CD2 3.89Å; V356-L451 HydrophobicContact CG1-CD1 4.25Å; F359-L451 HydrophobicContact CD1-CD1 3.98Å; F359-L451 HydrophobicContact CE1-CD1 3.77Å; F359-L451 HydrophobicContact CE1-CD2 4.37Å; I360-L451 HydrophobicContact CD1-CD1 3.99Å; I360-L451 HydrophobicContact CG1-CD1 3.69Å; M447-L451 WeakPolarHBondContact O-CB 3.12Å; M447-L451 WeakPolarHBondContact O-CG 3.37Å; M447-L451 PolarHBondContact O-N 3.24Å; K448-L451 PolarHBondContact O-N 2.83Å; L451-L455 HydrophobicContact CB-CD1 4.5Å; L451-L455 WeakPolarHBondContact O-CB 3.44Å; L451-L455 WeakPolarHBondContact O-CG 3.2Å; L451-L455 PolarHBondContact O-N 3.04Å
452	V	98.4	Very high	96.6	Very high	2 Å²	2	20 Å²	20	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-51.7	178.6	170.2	0	0	0	0	110.7	I336 V340 I345 L353 K448 V449 I450 L454 K456	I336-V452 HydrophobicContact CD1-CB 4.44Å; I336-V452 HydrophobicContact CD1-CG2 4.3Å; I336-V452 HydrophobicContact CG1-CG1 4.31Å; I336-V452 HydrophobicContact CG1-CG2 4.09Å; I336-V452 HydrophobicContact CG2-CG1 4.12Å; V340-V452 HydrophobicContact CG2-CG1 4.35Å; I345-V452 HydrophobicContact CB-CG1 4.43Å; I345-V452 HydrophobicContact CD1-CB 3.98Å; I345-V452 HydrophobicContact CD1-CG1 4.05Å; I345-V452 HydrophobicContact CD1-CG2 3.96Å; L353-V452 HydrophobicContact CD1-CG2 3.67Å; L353-V452 HydrophobicContact CD2-CG2 4.26Å; K448-V452 WeakPolarHBondContact O-CB 3.48Å; K448-V452 WeakPolarHBondContact O-CG2 3.42Å; K448-V452 PolarHBondContact O-N 2.86Å; V449-V452 PolarHBondContact O-N 3.46Å; I450-V452 PolarHBondContact O-N 3.48Å; V452-L454 PolarHBondContact O-N 3.43Å; V452-K456 WeakPolarHBondContact O-CB 3.25Å; V452-K456 PolarHBondContact O-N 3.18Å
453	T	98	Very high	95.1	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-39.4	-175.6	-57	0	0	0	0	112	I168 K169 V449 I450	I168-T453 HydrophobicContact CG2-CG2 3.63Å; K169-T453 HydrophobicContact CG-CG2 3.94Å; V449-T453 WeakPolarHBondContact O-CB 3.46Å; V449-T453 PolarHBondContact O-N 3.39Å; V449-T453 PolarHBondContact O-OG1 3.17Å; I450-T453 PolarHBondContact O-N 2.71Å
454	L	98.1	Very high	93.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-53.3	176.3	-171.9	155.9	0	0	0	111.3	I168 M191 L319 I450 V452 K456 R457 F458 V460 F492	I168-L454 HydrophobicContact CD1-CB 4.13Å; M191-L454 HydrophobicContact CE-CD1 3.71Å; L319-L454 HydrophobicContact CD1-CD1 4.12Å; L319-L454 HydrophobicContact CD2-CD1 4.11Å; L319-L454 HydrophobicContact CD2-CD2 3.89Å; I450-L454 WeakPolarHBondContact O-CB 3.24Å; I450-L454 PolarHBondContact O-N 2.72Å; V452-L454 PolarHBondContact O-N 3.43Å; L454-K456 VanDerWaalsContact C-N 3.26Å; L454-K456 PolarHBondContact O-N 2.87Å; L454-R457 PolarHBondContact O-N 3.47Å; L454-F458 PolarHBondContact O-N 3.16Å; L454-V460 HydrophobicContact CD2-CG2 3.61Å; L454-F492 HydrophobicContact CD1-CE2 3.99Å; L454-F492 HydrophobicContact CD1-CZ 3.79Å; L454-F492 HydrophobicContact CD2-CZ 4.49Å; L454-F492 HydrophobicContact CG-CE2 4.49Å; L454-F492 HydrophobicContact CG-CZ 4.48Å
455	L	97.4	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.8	-19.9	-175.1	-63.5	173.3	0	0	0	112.9	I322 I332 I336 L451 R457 F458 V460 R495	I322-L455 HydrophobicContact CD1-CD1 3.84Å; I322-L455 HydrophobicContact CD1-CD2 4.32Å; I322-L455 HydrophobicContact CG2-CD2 4.03Å; I332-L455 HydrophobicContact CG2-CD1 3.59Å; I336-L455 HydrophobicContact CD1-CB 4.13Å; L451-L455 HydrophobicContact CB-CD1 4.5Å; L451-L455 WeakPolarHBondContact O-CB 3.44Å; L451-L455 WeakPolarHBondContact O-CG 3.2Å; L451-L455 PolarHBondContact O-N 3.04Å; L455-R457 VanDerWaalsContact C-N 3.33Å; L455-F458 WeakPolarHBondContact CA-O 3.26Å; L455-V460 HydrophobicContact CD2-CG2 3.97Å; L455-R495 WeakPolarHBondContact O-CD 3.45Å; L455-R495 PolarHBondContact O-NE 3.01Å
456	K	95.2	Very high	89.8	Confident	52 Å²	52	40.1 Å²	40.1	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-33.4	169.8	-177.2	171.5	167.7	177.1	0	112.2	I336 G341 D342 R343 V452 L454	I336-K456 HydrophobicContact CG2-CB 4.42Å; G341-K456 VanDerWaalsContact O-CE 3.24Å; G341-K456 WeakPolarHBondContact O-CE 3.37Å; G341-K456 PolarHBondContact O-NZ 3.4Å; D342-K456 PolarHBondContact O-NZ 3.44Å; R343-K456 PolarHBondContact O-NZ 3.02Å; V452-K456 WeakPolarHBondContact O-CB 3.25Å; V452-K456 PolarHBondContact O-N 3.18Å; L454-K456 VanDerWaalsContact C-N 3.26Å; L454-K456 PolarHBondContact O-N 2.87Å
457	R	95.4	Very high	88.7	Confident	84 Å²	84	41.3 Å²	41.3	32%	0.317	19%	0.188	S	C	.	.	H	α-helix	trans	-91.9	-40	-178.1	-69.3	-178.9	171.5	-160.7	-4	112.8	D173 L454 L455 R495	D173-R457 IonicContact OD1-CZ 2.64Å; D173-R457 IonicContact OD1-NH1 2.65Å; D173-R457 PolarHBondContact OD1-NH1 3.13Å; D173-R457 IonicContact OD1-NH2 3.26Å; L454-R457 PolarHBondContact O-N 3.47Å; L455-R457 VanDerWaalsContact C-N 3.33Å; R457-R495 PolarHBondContact O-N 2.78Å
458	F	96.6	Very high	88.1	Confident	28 Å²	28	41.1 Å²	41.1	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.9	-168.7	-60.3	-78.7	0	0	0	112.9	L172 L175 L454 L455 F492 T493 P494 R495	L172-F458 HydrophobicContact CB-CE2 4.35Å; L172-F458 HydrophobicContact CD1-CD2 4.5Å; L172-F458 HydrophobicContact CD1-CE2 4.23Å; L172-F458 HydrophobicContact CD2-CD2 4.39Å; L172-F458 HydrophobicContact CD2-CE2 4.03Å; L172-F458 HydrophobicContact CG-CE2 4.44Å; L175-F458 HydrophobicContact CD2-CZ 4.29Å; L454-F458 PolarHBondContact O-N 3.16Å; L455-F458 WeakPolarHBondContact CA-O 3.26Å; F458-F492 HydrophobicContact CB-CB 4.04Å; F458-F492 HydrophobicContact CB-CG 4.4Å; F458-F492 HydrophobicContact CD1-CB 3.76Å; F458-F492 HydrophobicContact CE1-CB 4.36Å; F458-F492 HydrophobicContact CG-CB 3.89Å; F458-F492 HydrophobicContact CG-CG 4.43Å; F458-T493 CarbonylContact C-O 3.57Å; F458-T493 WeakPolarHBondContact CA-O 2.99Å; F458-P494 HydrophobicContact CD1-CG 4.37Å; F458-P494 HydrophobicContact CE1-CG 4.14Å; F458-R495 PolarHBondContact O-NH2 3.25Å; F458-R495 PolarHBondContact O-NE 3.26Å
459	H	95	Very high	87.4	Confident	51 Å²	51	44.3 Å²	44.3	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.5	158.3	171.6	52.4	0	0	0	108.9	E329 K461 T493 R495	E329-H459 IonicContact OE1-CE1 3.6Å; E329-H459 IonicContact OE1-CG 2.83Å; E329-H459 IonicContact OE1-ND1 3.71Å; E329-H459 PolarHBondContact OE1-ND1 2.89Å; E329-H459 IonicContact OE2-CE1 2.98Å; E329-H459 PolarHBondContact OE2-CE1 3.04Å; E329-H459 IonicContact OE2-ND1 2.7Å; E329-H459 PolarHBondContact OE2-ND1 2.99Å; H459-K461 WeakPolarHBondContact CD2-CE 3.35Å; H459-K461 WeakPolarHBondContact NE2-CE 3.35Å; H459-T493 PolarHBondContact N-O 3.04Å; H459-T493 PolarHBondContact O-N 3.44Å; H459-T493 PolarHBondContact O-OG1 2.98Å; H459-T493 VanDerWaalsContact O-OG1 3.07Å; H459-R495 HydrophobicContact CB-CG 4.33Å
460	V	92.9	Very high	86.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	-172.6	-176.7	0	0	0	0	109.2	L319 I322 A323 L454 L455 I490 F492	L319-V460 HydrophobicContact CB-CG1 4.37Å; L319-V460 HydrophobicContact CD2-CG2 4.02Å; I322-V460 HydrophobicContact CG2-CB 4.47Å; A323-V460 HydrophobicContact CB-CG1 4.33Å; L454-V460 HydrophobicContact CD2-CG2 3.61Å; L455-V460 HydrophobicContact CD2-CG2 3.97Å; V460-I490 HydrophobicContact CG1-CG2 3.51Å; V460-F492 HydrophobicContact CG2-CE1 3.98Å; V460-F492 HydrophobicContact CG2-CD1 4.06Å; V460-F492 HydrophobicContact CG1-CE1 4.03Å; V460-F492 HydrophobicContact CG1-CD1 4.29Å
461	K	89.4	Confident	86.1	Confident	93 Å²	93	50.1 Å²	50.1	40%	0.404	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.5	179.5	-63.4	-174.5	-174	-177.4	0	111.3	H459 I490 I491 T493	H459-K461 WeakPolarHBondContact CD2-CE 3.35Å; H459-K461 WeakPolarHBondContact NE2-CE 3.35Å; K461-I490 CarbonylContact O-C 3.51Å; K461-I490 WeakPolarHBondContact O-CA 3.47Å; K461-I491 PolarHBondContact N-O 2.85Å; K461-I491 PolarHBondContact O-N 3.31Å; K461-T493 HydrophobicContact CD-CG2 4.38Å
462	T	86.4	Confident	85.7	Confident	31 Å²	31	52.2 Å²	52.2	19%	0.19	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.2	163.9	179.7	0	0	0	0	109.4	A323 V488 E489	A323-T462 HydrophobicContact CB-CG2 4.1Å; T462-V488 WeakPolarHBondContact OG1-CG1 3.48Å; T462-E489 PolarHBondContact OG1-O 3.36Å
463	L	66.4	Low	85.5	Confident	96 Å²	96	55.2 Å²	55.2	50%	0.503	26%	0.26	S	S	.	.	S	Bend	trans	-86.9	-1.7	-173.8	-74.7	-159.9	0	0	0	114.8	Y184 I491	Y184-L463 HydrophobicContact CE1-CB 4.42Å; Y184-L463 HydrophobicContact CE1-CD1 3.43Å; Y184-L463 VanDerWaalsContact CE1-CD1 3.43Å; Y184-L463 HydrophobicContact CE1-CG 3.91Å; Y184-L463 WeakPolarHBondContact OH-CD1 3.41Å; L463-I491 HydrophobicContact CD1-CD1 3.65Å; L463-I491 HydrophobicContact CD2-CD1 3.73Å; L463-I491 HydrophobicContact CG-CD1 3.53Å; L463-I491 HydrophobicContact CG-CG1 4.37Å
464	Q	61.6	Low	85.4	Confident	76 Å²	76	58 Å²	58	36%	0.355	27%	0.271	S	S	.	.	S	Bend	trans	-132.8	158.7	-173.4	-65.6	178.1	18.8	0	0	112.3	R466 E489	Q464-R466 HydrophobicContact CB-CB 4.3Å; Q464-R466 VanDerWaalsContact OE1-CZ 3.32Å; Q464-R466 HydrophobicContact CB-CG 4.07Å; Q464-R466 PolarHBondContact O-N 2.81Å; Q464-E489 PolarHBondContact NE2-OE1 2.8Å; Q464-E489 PolarHBondContact NE2-OE2 3.23Å; Q464-E489 VanDerWaalsContact NE2-OE2 3.14Å
465	K	59.2	Low	85.3	Confident	211 Å²	211	59.2 Å²	59.2	92%	0.917	28%	0.277	S	S	*	.	S	Bend	trans	-60.1	15.1	165.6	-66.5	-179.2	175.8	179.3	0	113.7	C467	K465-C467 PolarHBondContact O-N 3.49Å
466	R	63.7	Low	85.3	Confident	92 Å²	92	60.9 Å²	60.9	35%	0.347	29%	0.287	S	S	.	.			trans	-84.2	94.8	177.5	-69.3	-170.4	-174.1	179.6	8.2	107.8	Q464 V488	Q464-R466 HydrophobicContact CB-CB 4.3Å; Q464-R466 VanDerWaalsContact OE1-CZ 3.32Å; Q464-R466 HydrophobicContact CB-CG 4.07Å; Q464-R466 PolarHBondContact O-N 2.81Å; R466-V488 HydrophobicContact CB-CG2 3.89Å
467	C	74.9	Confident	85.4	Confident	30 Å²	30	59.3 Å²	59.3	20%	0.203	28%	0.28	C	S	.	.			trans	-82.1	164.5	168.9	60.2	0	0	0	0	111.4	E324 K465 E469 N470 I471	E324-C467 HydrophobicContact CG-CB 4.41Å; E324-C467 VanDerWaalsContact OE1-C 3.3Å; E324-C467 WeakPolarHBondContact OE1-CA 3.45Å; E324-C467 WeakPolarHBondContact OE2-CB 3.38Å; K465-C467 PolarHBondContact O-N 3.49Å; C467-E469 VanDerWaalsContact CB-OE2 3.25Å; C467-E469 WeakPolarHBondContact CB-OE2 3.18Å; C467-E469 PolarHBondContact O-N 3.03Å; C467-E469 PolarHBondContact SG-OE2 3.08Å; C467-N470 PolarHBondContact O-N 3.23Å; C467-N470 PolarHBondContact SG-ND2 2.93Å; C467-N470 VanDerWaalsContact SG-CG 3.58Å; C467-N470 WeakPolarHBondContact O-CA 3.46Å; C467-I471 WeakPolarHBondContact O-CG2 3.17Å; C467-I471 PolarHBondContact O-N 2.79Å
468	I	86	Confident	85.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.7	179.9	-162.4	165.4	0	0	0	113.1	F317 L320 L321 E324 Y366 Q367 I471 K473	F317-I468 HydrophobicContact CB-CD1 3.79Å; F317-I468 HydrophobicContact CD1-CD1 4.12Å; F317-I468 HydrophobicContact CD1-CG1 4.37Å; F317-I468 HydrophobicContact CG-CD1 4.09Å; F317-I468 WeakPolarHBondContact O-CD1 3.38Å; L320-I468 HydrophobicContact CB-CD1 4.44Å; L321-I468 HydrophobicContact CD1-CD1 4Å; L321-I468 HydrophobicContact CD2-CD1 4.12Å; L321-I468 HydrophobicContact CD2-CG2 3.9Å; L321-I468 HydrophobicContact CG-CD1 3.69Å; E324-I468 PolarHBondContact OE1-N 3.38Å; Y366-I468 HydrophobicContact CE1-CG2 4.28Å; Q367-I468 HydrophobicContact CB-CD1 3.87Å; Q367-I468 HydrophobicContact CG-CD1 3.77Å; Q367-I468 HydrophobicContact CG-CG1 4.11Å; Q367-I468 PolarHBondContact NE2-O 2.87Å; I468-I471 HydrophobicContact CG1-CD1 4.35Å; I468-K473 PolarHBondContact O-NZ 3.37Å
469	E	84.8	Confident	85.6	Confident	72 Å²	72	55.3 Å²	55.3	34%	0.336	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.1	172.2	-64.2	75.8	-162.6	0	0	111.9	Y366 C467 K473	Y366-E469 VanDerWaalsContact CE1-OE1 3.27Å; Y366-E469 WeakPolarHBondContact CE1-OE1 3.34Å; Y366-E469 VanDerWaalsContact CZ-OE1 3.32Å; Y366-E469 PolarHBondContact OH-OE1 3.03Å; C467-E469 VanDerWaalsContact CB-OE2 3.25Å; C467-E469 WeakPolarHBondContact CB-OE2 3.18Å; C467-E469 PolarHBondContact O-N 3.03Å; C467-E469 PolarHBondContact SG-OE2 3.08Å; E469-K473 PolarHBondContact O-NZ 2.9Å
470	N	82.1	Confident	85.6	Confident	113 Å²	113	53.6 Å²	53.6	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.8	-170.2	-69	-22.4	0	0	0	114.3	C467	C467-N470 PolarHBondContact O-N 3.23Å; C467-N470 PolarHBondContact SG-ND2 2.93Å; C467-N470 VanDerWaalsContact SG-CG 3.58Å; C467-N470 WeakPolarHBondContact O-CA 3.46Å
471	I	88.4	Confident	85.7	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	26%	0.26	C	S	.	.	S	Bend	trans	-72.7	136.6	177.3	74.2	-175.9	0	0	0	110.6	Y316 F317 L320 C467 I468 K473 V488	Y316-I471 HydrophobicContact CE1-CD1 4.4Å; F317-I471 HydrophobicContact CD1-CD1 4.14Å; F317-I471 HydrophobicContact CE1-CD1 3.63Å; L320-I471 HydrophobicContact CD1-CD1 3.97Å; C467-I471 WeakPolarHBondContact O-CG2 3.17Å; C467-I471 PolarHBondContact O-N 2.79Å; I468-I471 HydrophobicContact CG1-CD1 4.35Å; I471-K473 PolarHBondContact O-N 3.01Å; I471-K473 HydrophobicContact CD1-CG 4.33Å; I471-K473 WeakPolarHBondContact O-CE 3.11Å; I471-K473 VanDerWaalsContact O-CE 3.23Å; I471-K473 HydrophobicContact CG1-CD 3.92Å; I471-K473 HydrophobicContact CG1-CG 3.87Å; I471-K473 HydrophobicContact CD1-CD 4.34Å; I471-V488 HydrophobicContact CB-CG2 4.27Å; I471-V488 HydrophobicContact CG2-CB 4.47Å; I471-V488 HydrophobicContact CG2-CG2 3.22Å
472	P	90.3	Very high	85.8	Confident	46 Å²	46	50.4 Å²	50.4	30%	0.299	25%	0.247	S	C	.	.			trans	-60.6	124	171.6	-23.4	34.6	0	0	0	110.7	N482	P472-N482 HydrophobicContact CB-CB 4.05Å; P472-N482 PolarHBondContact O-N 2.93Å
473	K	93.9	Very high	85.9	Confident	65 Å²	65	52.5 Å²	52.5	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.6	179.9	-73	160	-69.9	-162.3	0	110.4	I468 E469 I471 L479 H480	I468-K473 PolarHBondContact O-NZ 3.37Å; E469-K473 PolarHBondContact O-NZ 2.9Å; I471-K473 PolarHBondContact O-N 3.01Å; I471-K473 HydrophobicContact CD1-CG 4.33Å; I471-K473 WeakPolarHBondContact O-CE 3.11Å; I471-K473 VanDerWaalsContact O-CE 3.23Å; I471-K473 HydrophobicContact CG1-CD 3.92Å; I471-K473 HydrophobicContact CG1-CG 3.87Å; I471-K473 HydrophobicContact CD1-CD 4.34Å; K473-L479 HydrophobicContact CB-CD1 3.86Å; K473-L479 HydrophobicContact CD-CD1 4.24Å; K473-L479 HydrophobicContact CG-CD1 4.37Å; K473-H480 WeakPolarHBondContact CA-O 3.44Å; K473-H480 CarbonylContact C-O 3.31Å
474	K	95.1	Very high	86.6	Confident	67 Å²	67	54.3 Å²	54.3	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.5	162.6	-72.9	176.3	176.6	164.9	0	106.8	L479 H480 N482 D484	K474-L479 WeakPolarHBondContact O-CA 3.4Å; K474-H480 PolarHBondContact N-O 3.11Å; K474-H480 PolarHBondContact O-N 3.09Å; K474-N482 WeakPolarHBondContact CE-OD1 3.22Å; K474-N482 HydrophobicContact CG-CB 4.19Å; K474-N482 PolarHBondContact NZ-OD1 3.36Å; K474-D484 IonicContact NZ-OD2 2.74Å; K474-D484 PolarHBondContact NZ-OD2 2.9Å
475	N	96.7	Very high	87.4	Confident	26 Å²	26	58.2 Å²	58.2	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	85.4	174.1	-171.5	-7.8	0	0	0	109.1	G71 S72 D371 L479	G71-N475 WeakPolarHBondContact CA-OD1 3.28Å; S72-N475 PolarHBondContact N-O 3.2Å; S72-N475 VanDerWaalsContact N-O 3.15Å; S72-N475 WeakPolarHBondContact OG-CB 3.41Å; S72-N475 PolarHBondContact OG-O 2.91Å; D371-N475 PolarHBondContact OD2-ND2 2.89Å; D371-N475 PolarHBondContact OD2-OD1 3.21Å; N475-L479 HydrophobicContact CB-CD1 3.58Å
476	D	97.1	Very high	88.1	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.193	27%	0.268	C	S	.	.	S	Bend	trans	-120.4	-107.1	-179.8	-171.2	13.8	0	0	0	110.4	G69 I70 G71 Q225 S478	G69-D476 WeakPolarHBondContact CA-OD1 3.38Å; I70-D476 WeakPolarHBondContact CB-O 3.32Å; I70-D476 WeakPolarHBondContact CG1-OD1 3.42Å; I70-D476 PolarHBondContact N-OD1 3.42Å; G71-D476 PolarHBondContact N-O 2.97Å; Q225-D476 HydrophobicContact CG-CB 4.22Å; Q225-D476 WeakPolarHBondContact CG-OD2 3.29Å; Q225-D476 PolarHBondContact NE2-OD2 3.33Å; D476-S478 PolarHBondContact N-O 3.44Å
477	L	97.2	Very high	88.7	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	26%	0.263	C	S	.	.	S	Bend	trans	-71.5	-34.2	175.6	178.7	58.9	0	0	0	111.7	I70 F221 W224 Q225 L228 M374	I70-L477 HydrophobicContact CD1-CD1 4.46Å; F221-L477 HydrophobicContact CE2-CD2 4.45Å; W224-L477 HydrophobicContact CD2-CD2 3.84Å; W224-L477 HydrophobicContact CE3-CD2 4.26Å; W224-L477 HydrophobicContact CG-CD2 4.28Å; W224-L477 HydrophobicContact CH2-CD2 4.44Å; W224-L477 HydrophobicContact CZ2-CD2 4.07Å; Q225-L477 HydrophobicContact CB-CB 4.11Å; Q225-L477 HydrophobicContact CB-CD2 4.22Å; Q225-L477 HydrophobicContact CG-CB 3.75Å; L228-L477 HydrophobicContact CD2-CD1 3.49Å; L228-L477 VanDerWaalsContact CD2-CD1 3.49Å; L228-L477 HydrophobicContact CD2-CD2 4.12Å; L228-L477 HydrophobicContact CD2-CG 4.39Å; M374-L477 HydrophobicContact SD-CD1 4.34Å
478	S	97.8	Very high	88.8	Confident	11 Å²	11	52.7 Å²	52.7	8%	0.077	26%	0.256	C	S	.	.	S	Bend	trans	-132.5	165.6	168.5	63.9	0	0	0	0	109.9	F221 V369 D476 H480	F221-S478 WeakPolarHBondContact CZ-OG 3.41Å; V369-S478 WeakPolarHBondContact O-CA 3.21Å; V369-S478 VanDerWaalsContact O-CB 3.3Å; V369-S478 WeakPolarHBondContact O-CB 3.31Å; D476-S478 PolarHBondContact N-O 3.44Å; S478-H480 PolarHBondContact OG-CD2 3.19Å
479	L	97.8	Very high	88.6	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111	168.4	-179.8	70.1	0	0	0	108.9	P368 V369 K473 K474 N475	P368-L479 WeakPolarHBondContact O-CB 3.27Å; P368-L479 VanDerWaalsContact O-CD2 3.25Å; P368-L479 WeakPolarHBondContact O-CD2 3.49Å; V369-L479 WeakPolarHBondContact CA-O 3.41Å; V369-L479 PolarHBondContact O-N 3.16Å; K473-L479 HydrophobicContact CB-CD1 3.86Å; K473-L479 HydrophobicContact CD-CD1 4.24Å; K473-L479 HydrophobicContact CG-CD1 4.37Å; K474-L479 WeakPolarHBondContact O-CA 3.4Å; N475-L479 HydrophobicContact CB-CD1 3.58Å
480	H	96.3	Very high	88.8	Confident	15 Å²	15	51.3 Å²	51.3	7%	0.069	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.4	-177	66.2	88.6	0	0	0	110.8	V313 K473 K474 S478	V313-H480 HydrophobicContact CG1-CB 4.01Å; K473-H480 WeakPolarHBondContact CA-O 3.44Å; K473-H480 CarbonylContact C-O 3.31Å; K474-H480 PolarHBondContact N-O 3.11Å; K474-H480 PolarHBondContact O-N 3.09Å; S478-H480 PolarHBondContact OG-CD2 3.19Å
481	P	94.6	Very high	89.3	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	147.9	176.8	25.9	-33.2	0	0	0	110.7	L188 Y316 E483 L487	L188-P481 HydrophobicContact CD1-CG 3.66Å; L188-P481 HydrophobicContact CD2-CG 4.48Å; Y316-P481 HydrophobicContact CD1-CG 4.13Å; Y316-P481 HydrophobicContact CE1-CB 4.14Å; Y316-P481 HydrophobicContact CE1-CG 3.99Å; P481-E483 PolarHBondContact O-N 2.69Å; P481-L487 HydrophobicContact CB-CD2 3.78Å; P481-L487 HydrophobicContact CG-CD2 4.26Å
482	N	92	Very high	89.6	Confident	26 Å²	26	47.8 Å²	47.8	14%	0.139	23%	0.23	C	C	.	.			trans	-81.6	94.1	173.4	-174.4	0.3	0	0	0	110	P472 K474 D484 R485	P472-N482 HydrophobicContact CB-CB 4.05Å; P472-N482 PolarHBondContact O-N 2.93Å; K474-N482 WeakPolarHBondContact CE-OD1 3.22Å; K474-N482 HydrophobicContact CG-CB 4.19Å; K474-N482 PolarHBondContact NZ-OD1 3.36Å; N482-D484 PolarHBondContact O-N 3.09Å; N482-D484 WeakPolarHBondContact OD1-CB 3.48Å; N482-D484 PolarHBondContact OD1-N 3.05Å; N482-D484 PolarHBondContact OD1-OD2 3.49Å; N482-R485 PolarHBondContact O-N 3.34Å; N482-R485 VanDerWaalsContact O-N 3.1Å
483	E	87.7	Confident	89.8	Confident	75 Å²	75	47.5 Å²	47.5	35%	0.35	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.7	-179.2	-65.9	174.7	-116.3	0	0	114.4	L188 R192 P481 R485 L487	L188-E483 HydrophobicContact CD1-CG 3.98Å; R192-E483 IonicContact CZ-OE1 3.61Å; R192-E483 IonicContact CZ-OE2 2.9Å; R192-E483 IonicContact NH1-OE1 2.74Å; R192-E483 IonicContact NH1-OE2 2.74Å; R192-E483 PolarHBondContact NH1-OE2 3.39Å; R192-E483 IonicContact NH2-OE1 3.6Å; R192-E483 PolarHBondContact NH2-OE1 2.99Å; R192-E483 IonicContact NH2-OE2 3.52Å; R192-E483 PolarHBondContact NH2-OE2 2.59Å; P481-E483 PolarHBondContact O-N 2.69Å; E483-R485 PolarHBondContact O-N 3.24Å; E483-L487 HydrophobicContact CG-CD1 4.4Å; E483-L487 HydrophobicContact CG-CD2 4.08Å
484	D	82.1	Confident	89.8	Confident	134 Å²	134	48.1 Å²	48.1	72%	0.717	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.4	170.4	-56.3	-42.4	0	0	0	112.1	K474 N482	K474-D484 IonicContact NZ-OD2 2.74Å; K474-D484 PolarHBondContact NZ-OD2 2.9Å; N482-D484 PolarHBondContact O-N 3.09Å; N482-D484 WeakPolarHBondContact OD1-CB 3.48Å; N482-D484 PolarHBondContact OD1-N 3.05Å; N482-D484 PolarHBondContact OD1-OD2 3.49Å
485	R	78.4	Confident	89.4	Confident	157 Å²	157	48.1 Å²	48.1	59%	0.592	24%	0.236	S	C	*	.	S	Bend	trans	-115	161.3	175.8	-63.6	-173.5	176.9	-167.9	0.1	109.2	N482 E483 L487	N482-R485 PolarHBondContact O-N 3.34Å; N482-R485 VanDerWaalsContact O-N 3.1Å; E483-R485 PolarHBondContact O-N 3.24Å; R485-L487 PolarHBondContact O-N 3.34Å
486	H	72.3	Confident	88.1	Confident	161 Å²	161	51.5 Å²	51.5	75%	0.745	25%	0.254	S	S	*	.			trans	-56.4	115.6	173.2	-70.6	-69.8	0	0	0	110.7
487	L	77.3	Confident	85.8	Confident	48 Å²	48	52.9 Å²	52.9	25%	0.251	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62.6	159.5	171.7	-65.5	173.6	0	0	0	110.2	L188 P481 E483 R485 E489	L188-L487 HydrophobicContact CD1-CD1 3.64Å; L188-L487 HydrophobicContact CD1-CD2 4.06Å; L188-L487 HydrophobicContact CG-CD1 4.49Å; P481-L487 HydrophobicContact CB-CD2 3.78Å; P481-L487 HydrophobicContact CG-CD2 4.26Å; E483-L487 HydrophobicContact CG-CD1 4.4Å; E483-L487 HydrophobicContact CG-CD2 4.08Å; R485-L487 PolarHBondContact O-N 3.34Å; L487-E489 PolarHBondContact O-N 3.42Å
488	V	76.6	Confident	83.2	Confident	9 Å²	9	58 Å²	58	6%	0.055	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.1	126.9	173.4	175.4	0	0	0	0	109	Y316 L320 T462 R466 I471	Y316-V488 PolarHBondContact OH-N 2.98Å; L320-V488 HydrophobicContact CD2-CB 3.96Å; L320-V488 HydrophobicContact CD2-CG1 3.64Å; T462-V488 WeakPolarHBondContact OG1-CG1 3.48Å; R466-V488 HydrophobicContact CB-CG2 3.89Å; I471-V488 HydrophobicContact CB-CG2 4.27Å; I471-V488 HydrophobicContact CG2-CB 4.47Å; I471-V488 HydrophobicContact CG2-CG2 3.22Å
489	E	81.7	Confident	80.6	Confident	42 Å²	42	64.6 Å²	64.6	20%	0.196	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-73.7	130.3	179.6	-47.7	95.6	168.5	0	0	110.3	Y184 T462 Q464 L487	Y184-E489 HydrophobicContact CD1-CB 3.38Å; Y184-E489 HydrophobicContact CD1-CG 4.1Å; Y184-E489 HydrophobicContact CD2-CB 4.23Å; Y184-E489 HydrophobicContact CD2-CG 4.05Å; Y184-E489 HydrophobicContact CE1-CB 3.57Å; Y184-E489 HydrophobicContact CE1-CG 4.12Å; Y184-E489 HydrophobicContact CE2-CB 4.45Å; Y184-E489 HydrophobicContact CE2-CG 4.14Å; Y184-E489 HydrophobicContact CG-CB 3.72Å; Y184-E489 HydrophobicContact CG-CG 4.04Å; T462-E489 PolarHBondContact OG1-O 3.36Å; Q464-E489 PolarHBondContact NE2-OE1 2.8Å; Q464-E489 PolarHBondContact NE2-OE2 3.23Å; Q464-E489 VanDerWaalsContact NE2-OE2 3.14Å; L487-E489 PolarHBondContact O-N 3.42Å
490	I	90.3	Very high	77.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	178.7	-62	174.8	0	0	0	108.5	V185 V187 Y316 L320 V460 K461 F492	V185-I490 PolarHBondContact N-O 2.91Å; V187-I490 HydrophobicContact CB-CD1 4.15Å; V187-I490 HydrophobicContact CG1-CD1 4.41Å; V187-I490 HydrophobicContact CG2-CB 3.84Å; V187-I490 HydrophobicContact CG2-CD1 3.79Å; V187-I490 HydrophobicContact CG2-CG1 4.35Å; V187-I490 HydrophobicContact CG2-CG2 3.95Å; Y316-I490 HydrophobicContact CD2-CD1 4.08Å; Y316-I490 HydrophobicContact CE2-CD1 3.83Å; L320-I490 HydrophobicContact CD2-CD1 3.71Å; L320-I490 HydrophobicContact CD2-CG1 3.93Å; L320-I490 HydrophobicContact CG-CD1 4.21Å; V460-I490 HydrophobicContact CG1-CG2 3.51Å; K461-I490 CarbonylContact O-C 3.51Å; K461-I490 WeakPolarHBondContact O-CA 3.47Å; I490-F492 HydrophobicContact CG2-CD1 3.95Å; I490-F492 HydrophobicContact CG2-CE1 3.6Å
491	I	92.4	Very high	74.9	Confident	32 Å²	32	78.7 Å²	78.7	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133	176.2	-59.6	-178.6	0	0	0	109	Y184 K461 L463 T493	Y184-I491 HydrophobicContact CD1-CD1 4.05Å; Y184-I491 HydrophobicContact CD1-CG1 3.76Å; Y184-I491 HydrophobicContact CE1-CD1 3.95Å; Y184-I491 HydrophobicContact CE1-CG1 4.13Å; K461-I491 PolarHBondContact N-O 2.85Å; K461-I491 PolarHBondContact O-N 3.31Å; L463-I491 HydrophobicContact CD1-CD1 3.65Å; L463-I491 HydrophobicContact CD2-CD1 3.73Å; L463-I491 HydrophobicContact CG-CD1 3.53Å; L463-I491 HydrophobicContact CG-CG1 4.37Å; I491-T493 HydrophobicContact CG2-CG2 3.95Å
492	F	95	Very high	71.9	Confident	17 Å²	17	87.8 Å²	87.8	8%	0.075	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116	170.6	-67.4	-7.9	0	0	0	109.7	L172 L175 V185 V187 L190 L319 L454 F458 V460 I490	L172-F492 HydrophobicContact CD2-CE2 4.35Å; L175-F492 HydrophobicContact CD1-CD2 4.05Å; L175-F492 HydrophobicContact CD1-CE2 4.29Å; L175-F492 HydrophobicContact CD2-CB 4.29Å; L175-F492 HydrophobicContact CD2-CD2 3.98Å; V185-F492 HydrophobicContact CG1-CD2 4.41Å; V185-F492 HydrophobicContact CG1-CE2 4.13Å; V185-F492 HydrophobicContact CG2-CB 4.38Å; V185-F492 HydrophobicContact CG2-CD2 4.13Å; V185-F492 HydrophobicContact CG2-CG 4.15Å; V187-F492 HydrophobicContact CG2-CE1 4.08Å; V187-F492 HydrophobicContact CG2-CZ 3.81Å; L190-F492 HydrophobicContact CD2-CE2 3.88Å; L319-F492 HydrophobicContact CD1-CZ 4.4Å; L454-F492 HydrophobicContact CD1-CE2 3.99Å; L454-F492 HydrophobicContact CD1-CZ 3.79Å; L454-F492 HydrophobicContact CD2-CZ 4.49Å; L454-F492 HydrophobicContact CG-CE2 4.49Å; L454-F492 HydrophobicContact CG-CZ 4.48Å; F458-F492 HydrophobicContact CB-CB 4.04Å; F458-F492 HydrophobicContact CB-CG 4.4Å; F458-F492 HydrophobicContact CD1-CB 3.76Å; F458-F492 HydrophobicContact CE1-CB 4.36Å; F458-F492 HydrophobicContact CG-CB 3.89Å; F458-F492 HydrophobicContact CG-CG 4.43Å; V460-F492 HydrophobicContact CG2-CE1 3.98Å; V460-F492 HydrophobicContact CG2-CD1 4.06Å; V460-F492 HydrophobicContact CG1-CE1 4.03Å; V460-F492 HydrophobicContact CG1-CD1 4.29Å; I490-F492 HydrophobicContact CG2-CD1 3.95Å; I490-F492 HydrophobicContact CG2-CE1 3.6Å
493	T	93.4	Very high	69.1	Low	39 Å²	39	97.9 Å²	97.9	24%	0.239	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126	177.5	52	0	0	0	0	109.7	F458 H459 K461 I491	F458-T493 CarbonylContact C-O 3.57Å; F458-T493 WeakPolarHBondContact CA-O 2.99Å; H459-T493 PolarHBondContact N-O 3.04Å; H459-T493 PolarHBondContact O-N 3.44Å; H459-T493 PolarHBondContact O-OG1 2.98Å; H459-T493 VanDerWaalsContact O-OG1 3.07Å; K461-T493 HydrophobicContact CD-CG2 4.38Å; I491-T493 HydrophobicContact CG2-CG2 3.95Å
494	P	93.8	Very high	68.2	Low	78 Å²	78	99 Å²	99	51%	0.506	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	140.3	-179.6	-25.4	33.9	0	0	0	112.3	F458 S497	F458-P494 HydrophobicContact CD1-CG 4.37Å; F458-P494 HydrophobicContact CE1-CG 4.14Å; P494-S497 PolarHBondContact O-OG 3.32Å
495	R	87.8	Confident	67.4	Low	68 Å²	68	97.2 Å²	97.2	26%	0.257	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-77.8	-21.6	177.7	-69.5	-162	-175	-86	-5.8	114.7	E329 L455 R457 F458 H459	E329-R495 IonicContact OE1-CZ 2.68Å; E329-R495 IonicContact OE1-NH1 3Å; E329-R495 IonicContact OE1-NH2 2.77Å; E329-R495 PolarHBondContact OE1-NH2 3.01Å; L455-R495 WeakPolarHBondContact O-CD 3.45Å; L455-R495 PolarHBondContact O-NE 3.01Å; R457-R495 PolarHBondContact O-N 2.78Å; F458-R495 PolarHBondContact O-NH2 3.25Å; F458-R495 PolarHBondContact O-NE 3.26Å; H459-R495 HydrophobicContact CB-CG 4.33Å
496	N	69.1	Low	66.8	Low	97 Å²	97	93.8 Å²	93.8	52%	0.519	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-93.5	9.1	-172.5	-77.7	-25.2	0	0	0	114.7	D498 K499 Y500	N496-D498 PolarHBondContact O-N 3.48Å; N496-K499 PolarHBondContact O-N 3.38Å; N496-Y500 WeakPolarHBondContact O-CD2 3.39Å
497	S	48.8	Very low	66.5	Low	65 Å²	65	89.9 Å²	89.9	46%	0.455	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.8	175.2	34.6	0	0	0	0	113.6	P494	P494-S497 PolarHBondContact O-OG 3.32Å
498	D	42.7	Very low	65.8	Low	125 Å²	125	92.5 Å²	92.5	67%	0.668	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-85.3	-12.4	178.1	-71.7	-25.7	0	0	0	114.7	N496	N496-D498 PolarHBondContact O-N 3.48Å
499	K	42.9	Very low	65.1	Low	149 Å²	149	98.1 Å²	98.1	65%	0.648	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.7	174.7	-91.2	-177	176.5	176.9	0	113.1	N496	N496-K499 PolarHBondContact O-N 3.38Å
500	Y	37.1	Very low	63.9	Low	184 Å²	184	102.1 Å²	102.1	72%	0.722	50%	0.497	S	S	*	.	S	Bend	trans	-96.8	-6.2	-179	-69.4	-80.3	0	0	0	114.2	N496	N496-Y500 WeakPolarHBondContact O-CD2 3.39Å
501	L	36.1	Very low	61.9	Low	144 Å²	144	109.9 Å²	109.9	75%	0.754	54%	0.535	S	S	*	.	S	Bend	trans	-94.6	5.9	173.3	-75	165	0	0	0	113.3
502	K	31.9	Very low	59.3	Low	193 Å²	193	116.4 Å²	116.4	84%	0.839	57%	0.566	S	S	*	*			trans	-125.7	32.4	176.5	-73.8	-172	176.7	178.9	0	112.9
503	Q	33.6	Very low	56.1	Low	238 Å²	238	125.5 Å²	125.5	100%	1.112	61%	0.611	S	S	*	*			trans	-116.6	0	162.5	-79.6	-171	-8.5	0	0	110.2

Retrieved 503 of 503 residues in 130.2 ms (Link to these results)

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