A0A090AT68_AMPOC Loading...

aromatase

Catalyzes the formation of aromatic C18 estrogens from C19 androgens.

AlphaFold DB , UniProt , Accession A0A090AT68, Species AMPOC (Amphiprion ocellaris, Clown anemonefish), Gene cyp19a1b, Length 505 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	38.4	Very low	243 Å²	243	165.8 Å²	165.8	100%	1.197	87%	0.874	S	S	*	*				0	117.8	0	-96.4	164.1	63.4	0	0	108.5
2	K	39.3	Very low	38.7	Very low	212 Å²	212	166.2 Å²	166.2	92%	0.922	87%	0.874	S	S	*	*			trans	47.7	89.6	169.9	-66.3	-175.7	177.9	-179.2	0	117.4
3	G	32.8	Very low	38.8	Very low	86 Å²	86	157.7 Å²	157.7	89%	0.887	85%	0.851	S	S	*	*			trans	-80.4	138.5	161.5	0	0	0	0	0	111.3
4	M	37.4	Very low	39.5	Very low	193 Å²	193	155.7 Å²	155.7	95%	0.951	85%	0.85	S	S	*	*			trans	-108	115.2	175.2	-155.3	162	83.6	0	0	106.4
5	L	38.9	Very low	40.1	Very low	170 Å²	170	154 Å²	154	89%	0.89	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-94.2	136.7	176.5	-85.6	158	0	0	0	109.7
6	P	43.8	Very low	40.6	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-90.1	161.2	176.5	35	-32.2	0	0	0	113.3
7	L	40.9	Very low	41.1	Very low	175 Å²	175	147.4 Å²	147.4	92%	0.916	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-58.7	131.3	173.8	-83.1	87.6	0	0	0	112.3
8	E	38	Very low	41.8	Very low	164 Å²	164	146.4 Å²	146.4	77%	0.766	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88.5	118.6	160.1	-79	-173	157.5	0	0	110.6
9	M	39.6	Very low	42.4	Very low	167 Å²	167	143.2 Å²	143.2	82%	0.823	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.8	116.2	158.3	-87.1	171	47	0	0	108.8	T11	M9-T11 PolarHBondContact O-N 3.17Å
10	F	37.3	Very low	43.2	Very low	182 Å²	182	140.7 Å²	140.7	80%	0.798	79%	0.791	S	S	*	*			trans	-85.9	104.1	162.1	-95.5	-89.5	0	0	0	109.7
11	T	38.7	Very low	44.3	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	78%	0.777	S	S	*	*			trans	-69.8	119.5	166.3	36.5	0	0	0	0	110.6	M9	M9-T11 PolarHBondContact O-N 3.17Å
12	I	41.6	Very low	46.1	Very low	170 Å²	170	132.1 Å²	132.1	87%	0.872	75%	0.75	S	S	*	*			trans	-79.4	115	164.7	-60.6	172.3	0	0	0	107.1
13	G	39.7	Very low	47.9	Very low	56 Å²	56	126.2 Å²	126.2	58%	0.577	73%	0.731	S	S	*	*			trans	-73.8	149.1	177.4	0	0	0	0	0	113
14	P	48.9	Very low	50	Low	130 Å²	130	125.4 Å²	125.4	84%	0.844	71%	0.709	S	S	*	*			trans	-92.6	106	177.4	34.5	-26.8	0	0	0	110.1
15	V	48.7	Very low	52	Low	130 Å²	130	119.6 Å²	119.6	79%	0.788	68%	0.684	S	S	*	*			trans	-132.9	4.3	177.9	-175.6	0	0	0	0	113.6
16	A	48	Very low	54.1	Low	76 Å²	76	116.9 Å²	116.9	63%	0.628	67%	0.67	S	S	*	*	S	Bend	trans	-106.6	-0.7	-169.9	0	0	0	0	0	116.6
17	V	49.7	Very low	55.9	Low	120 Å²	120	116.5 Å²	116.5	73%	0.727	66%	0.661	S	S	*	*	S	Bend	trans	-99.3	-33	-170.1	-173.8	0	0	0	0	113.4
18	D	52.8	Low	58	Low	130 Å²	130	113.7 Å²	113.7	70%	0.695	65%	0.647	S	S	*	*	H	α-helix	trans	-79.1	-34.7	-172.4	-67.1	-33.9	0	0	0	113.9	V20 S21 E22	D18-V20 PolarHBondContact O-N 3.02Å; D18-S21 WeakPolarHBondContact O-CB 3.38Å; D18-S21 PolarHBondContact O-N 2.82Å; D18-E22 PolarHBondContact O-N 3.1Å
19	T	53.8	Low	60.2	Low	85 Å²	85	111 Å²	111	52%	0.521	64%	0.637	S	S	.	*	H	α-helix	trans	-69.2	-30.1	-177.9	45.8	0	0	0	0	113.5	S21 V23	T19-S21 VanDerWaalsContact C-N 3.32Å; T19-V23 VanDerWaalsContact O-CG2 3.28Å; T19-V23 WeakPolarHBondContact O-CG2 3.28Å; T19-V23 PolarHBondContact O-N 2.99Å
20	V	57.5	Low	62.4	Low	92 Å²	92	106.5 Å²	106.5	56%	0.558	62%	0.619	S	S	*	*	H	α-helix	trans	-71	-31.4	176.4	-177.9	0	0	0	0	111.2	D18 T24	D18-V20 PolarHBondContact O-N 3.02Å; V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 VanDerWaalsContact O-CG2 3.27Å; V20-T24 WeakPolarHBondContact O-CG2 3.27Å; V20-T24 PolarHBondContact O-N 3.3Å; V20-T24 PolarHBondContact O-OG1 3.48Å
21	S	66.6	Low	64.5	Low	69 Å²	69	102.6 Å²	102.6	48%	0.483	61%	0.606	S	S	.	*	H	α-helix	trans	-71.9	-39.2	177.7	-166.9	0	0	0	0	112.3	D18 T19 T24 T25	D18-S21 WeakPolarHBondContact O-CB 3.38Å; D18-S21 PolarHBondContact O-N 2.82Å; T19-S21 VanDerWaalsContact C-N 3.32Å; S21-T24 WeakPolarHBondContact CA-OG1 3.23Å; S21-T24 PolarHBondContact O-OG1 2.84Å; S21-T25 WeakPolarHBondContact O-CB 3.33Å; S21-T25 WeakPolarHBondContact O-CG2 3.43Å; S21-T25 PolarHBondContact O-N 2.99Å; S21-T25 PolarHBondContact O-OG1 2.87Å
22	E	73.3	Confident	66.6	Low	135 Å²	135	101.5 Å²	101.5	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-70.5	-39.6	178.1	-69.1	-176.6	166.6	0	0	112.4	D18 T25 L26	D18-E22 PolarHBondContact O-N 3.1Å; E22-T25 WeakPolarHBondContact CA-OG1 3.38Å; E22-T25 PolarHBondContact O-OG1 3.38Å; E22-L26 WeakPolarHBondContact O-CB 3.43Å; E22-L26 PolarHBondContact O-N 2.85Å
23	V	77	Confident	68.3	Low	89 Å²	89	96.4 Å²	96.4	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-68.3	-38.8	177.6	174.5	0	0	0	0	111.3	T19 L27	T19-V23 VanDerWaalsContact O-CG2 3.28Å; T19-V23 WeakPolarHBondContact O-CG2 3.28Å; T19-V23 PolarHBondContact O-N 2.99Å; V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 WeakPolarHBondContact O-CB 3.13Å; V23-L27 WeakPolarHBondContact O-CD1 3.39Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 2.72Å
24	T	77.6	Confident	70.1	Confident	68 Å²	68	98.5 Å²	98.5	42%	0.417	57%	0.572	S	S	.	*	H	α-helix	trans	-70.2	-38.9	178	48.3	0	0	0	0	112.5	V20 S21 L27 L28	V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 VanDerWaalsContact O-CG2 3.27Å; V20-T24 WeakPolarHBondContact O-CG2 3.27Å; V20-T24 PolarHBondContact O-N 3.3Å; V20-T24 PolarHBondContact O-OG1 3.48Å; S21-T24 WeakPolarHBondContact CA-OG1 3.23Å; S21-T24 PolarHBondContact O-OG1 2.84Å; T24-L27 PolarHBondContact O-N 2.83Å; T24-L28 WeakPolarHBondContact O-CB 3.48Å; T24-L28 WeakPolarHBondContact O-CG 3.21Å; T24-L28 PolarHBondContact O-N 3.11Å
25	T	80.4	Confident	71.2	Confident	71 Å²	71	95.4 Å²	95.4	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-40.3	174.2	46.4	0	0	0	0	112.3	S21 E22 L28 L29	S21-T25 WeakPolarHBondContact O-CB 3.33Å; S21-T25 WeakPolarHBondContact O-CG2 3.43Å; S21-T25 PolarHBondContact O-N 2.99Å; S21-T25 PolarHBondContact O-OG1 2.87Å; E22-T25 WeakPolarHBondContact CA-OG1 3.38Å; E22-T25 PolarHBondContact O-OG1 3.38Å; T25-L28 PolarHBondContact O-N 3.19Å; T25-L29 WeakPolarHBondContact O-CG 3.32Å; T25-L29 PolarHBondContact O-N 3.38Å
26	L	82.5	Confident	72.3	Confident	114 Å²	114	94.2 Å²	94.2	60%	0.597	54%	0.537	S	S	*	.	H	α-helix	trans	-63.9	-42.9	174.7	-166.6	74.7	0	0	0	111.7	E22 L28 L29 V30	E22-L26 WeakPolarHBondContact O-CB 3.43Å; E22-L26 PolarHBondContact O-N 2.85Å; L26-L28 PolarHBondContact O-N 3.35Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.19Å; L26-V30 PolarHBondContact O-N 2.97Å
27	L	81.9	Confident	73.5	Confident	104 Å²	104	96 Å²	96	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-41.7	175	-81.5	163.6	0	0	0	112.1	V23 T24 V30 L31	V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 WeakPolarHBondContact O-CB 3.13Å; V23-L27 WeakPolarHBondContact O-CD1 3.39Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 2.72Å; T24-L27 PolarHBondContact O-N 2.83Å; L27-V30 PolarHBondContact O-N 3.36Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 PolarHBondContact O-N 2.88Å
28	L	84.5	Confident	74.2	Confident	117 Å²	117	93.4 Å²	93.4	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-39.7	175.7	-76.8	166.5	0	0	0	112	T24 T25 L26 L31 L32	T24-L28 WeakPolarHBondContact O-CB 3.48Å; T24-L28 WeakPolarHBondContact O-CG 3.21Å; T24-L28 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 3.19Å; L26-L28 PolarHBondContact O-N 3.35Å; L28-L31 PolarHBondContact O-N 3Å; L28-L32 VanDerWaalsContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 PolarHBondContact O-N 3.16Å
29	L	84.6	Confident	74.6	Confident	108 Å²	108	88.2 Å²	88.2	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-68.4	-37.3	175.6	-75.6	166.4	0	0	0	112.5	T25 L26 L32 S33	T25-L29 WeakPolarHBondContact O-CG 3.32Å; T25-L29 PolarHBondContact O-N 3.38Å; L26-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.09Å; L29-S33 VanDerWaalsContact O-CB 3.32Å; L29-S33 WeakPolarHBondContact O-CB 3.04Å; L29-S33 PolarHBondContact O-N 3.34Å; L29-S33 PolarHBondContact O-OG 3.11Å
30	V	85	Confident	75	Confident	71 Å²	71	90.9 Å²	90.9	43%	0.43	49%	0.488	S	S	.	.	H	α-helix	trans	-67.2	-42	173.6	171.9	0	0	0	0	110.7	L26 L27 S33 L34	L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.19Å; L26-V30 PolarHBondContact O-N 2.97Å; L27-V30 PolarHBondContact O-N 3.36Å; V30-S33 VanDerWaalsContact CA-OG 3.32Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.22Å; V30-S33 PolarHBondContact O-OG 3.37Å; V30-L34 HydrophobicContact CG1-CD1 3.85Å; V30-L34 VanDerWaalsContact O-CB 3.31Å; V30-L34 WeakPolarHBondContact O-CB 3.26Å; V30-L34 WeakPolarHBondContact O-CG 3.36Å; V30-L34 PolarHBondContact O-N 2.84Å
31	L	82.2	Confident	75.1	Confident	101 Å²	101	93.8 Å²	93.8	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-44.6	172.6	-105.5	146.2	0	0	0	111.7	L27 L28 L34 L35	L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 PolarHBondContact O-N 2.88Å; L28-L31 PolarHBondContact O-N 3Å; L31-L34 PolarHBondContact O-N 2.76Å; L31-L35 HydrophobicContact CD2-CD1 4.43Å; L31-L35 VanDerWaalsContact O-CB 3.24Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CD1 3.49Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 3.39Å
32	L	82.1	Confident	74.6	Confident	95 Å²	95	97.8 Å²	97.8	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.8	-167	81	0	0	0	111	L28 L29 L35 L36	L28-L32 VanDerWaalsContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 PolarHBondContact O-N 3.16Å; L29-L32 PolarHBondContact O-N 3.09Å; L32-L35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CD2-CD1 4.32Å; L32-L36 HydrophobicContact CG-CD1 4.07Å; L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.21Å
33	S	76.6	Confident	73.7	Confident	63 Å²	63	95.1 Å²	95.1	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-69.8	-36.8	178.1	56.6	0	0	0	0	112.6	L29 V30 L36 F37	L29-S33 VanDerWaalsContact O-CB 3.32Å; L29-S33 WeakPolarHBondContact O-CB 3.04Å; L29-S33 PolarHBondContact O-N 3.34Å; L29-S33 PolarHBondContact O-OG 3.11Å; V30-S33 VanDerWaalsContact CA-OG 3.32Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.22Å; V30-S33 PolarHBondContact O-OG 3.37Å; S33-L36 PolarHBondContact O-N 2.98Å; S33-F37 WeakPolarHBondContact O-CB 3.25Å; S33-F37 PolarHBondContact O-N 3.46Å
34	L	78.4	Confident	72.2	Confident	100 Å²	100	96.7 Å²	96.7	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-39	170.4	-77.8	165.1	0	0	0	111.7	V30 L31 F37 T38	V30-L34 HydrophobicContact CG1-CD1 3.85Å; V30-L34 VanDerWaalsContact O-CB 3.31Å; V30-L34 WeakPolarHBondContact O-CB 3.26Å; V30-L34 WeakPolarHBondContact O-CG 3.36Å; V30-L34 PolarHBondContact O-N 2.84Å; L31-L34 PolarHBondContact O-N 2.76Å; L34-F37 PolarHBondContact O-N 3.02Å; L34-T38 WeakPolarHBondContact O-CB 3.37Å; L34-T38 VanDerWaalsContact O-CG2 3.24Å; L34-T38 WeakPolarHBondContact O-CG2 3.4Å; L34-T38 PolarHBondContact O-N 2.8Å; L34-T38 PolarHBondContact O-OG1 3.5Å
35	L	71.9	Confident	70.8	Confident	66 Å²	66	99.8 Å²	99.8	35%	0.346	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-42.2	173.8	-78.4	163.8	0	0	0	111.3	L31 L32 T38 T39 A55	L31-L35 HydrophobicContact CD2-CD1 4.43Å; L31-L35 VanDerWaalsContact O-CB 3.24Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 WeakPolarHBondContact O-CD1 3.49Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 3.47Å; L35-T38 WeakPolarHBondContact CA-OG1 3.45Å; L35-T38 PolarHBondContact O-OG1 2.83Å; L35-T38 VanDerWaalsContact O-OG1 3.05Å; L35-T39 WeakPolarHBondContact O-CB 3.3Å; L35-T39 WeakPolarHBondContact O-CG2 3.26Å; L35-T39 PolarHBondContact O-N 3.44Å; L35-T39 PolarHBondContact O-OG1 3.42Å; L35-A55 HydrophobicContact CD2-CB 4.2Å
36	L	73	Confident	69.5	Low	105 Å²	105	98.7 Å²	98.7	55%	0.55	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-38.8	174.8	-73.3	169.2	0	0	0	111.7	L32 S33 T39 W40	L32-L36 HydrophobicContact CD2-CD1 4.32Å; L32-L36 HydrophobicContact CG-CD1 4.07Å; L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.21Å; S33-L36 PolarHBondContact O-N 2.98Å; L36-T39 VanDerWaalsContact C-OG1 3.27Å; L36-T39 WeakPolarHBondContact CA-OG1 3.33Å; L36-T39 PolarHBondContact O-OG1 3.49Å; L36-W40 WeakPolarHBondContact O-CB 3.5Å; L36-W40 PolarHBondContact O-N 3Å
37	F	71.4	Confident	69.1	Low	112 Å²	112	102.1 Å²	102.1	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-71.4	-40.7	177.6	-177.3	-102.7	0	0	0	112.1	S33 L34 W40 R41	S33-F37 WeakPolarHBondContact O-CB 3.25Å; S33-F37 PolarHBondContact O-N 3.46Å; L34-F37 PolarHBondContact O-N 3.02Å; F37-W40 HydrophobicContact CD2-CE3 4.11Å; F37-W40 HydrophobicContact CD2-CZ3 4.48Å; F37-W40 HydrophobicContact CE2-CE3 4.06Å; F37-W40 HydrophobicContact CE2-CZ3 4Å; F37-W40 PolarHBondContact O-N 2.99Å; F37-R41 VanDerWaalsContact O-CB 3.26Å; F37-R41 WeakPolarHBondContact O-CB 3.49Å; F37-R41 PolarHBondContact O-N 3.09Å
38	T	65.8	Low	69.3	Low	66 Å²	66	98.2 Å²	98.2	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-70.8	-36.3	175.6	52.4	0	0	0	0	112.2	L34 L35 R42	L34-T38 WeakPolarHBondContact O-CB 3.37Å; L34-T38 VanDerWaalsContact O-CG2 3.24Å; L34-T38 WeakPolarHBondContact O-CG2 3.4Å; L34-T38 PolarHBondContact O-N 2.8Å; L34-T38 PolarHBondContact O-OG1 3.5Å; L35-T38 WeakPolarHBondContact CA-OG1 3.45Å; L35-T38 PolarHBondContact O-OG1 2.83Å; L35-T38 VanDerWaalsContact O-OG1 3.05Å; T38-R42 WeakPolarHBondContact O-CB 3.18Å; T38-R42 WeakPolarHBondContact O-CG 3.34Å; T38-R42 PolarHBondContact O-N 3.01Å
39	T	61.2	Low	69.7	Low	21 Å²	21	95.6 Å²	95.6	13%	0.129	48%	0.475	C	S	.	.	H	α-helix	trans	-63.8	-49	169.4	40.2	0	0	0	0	110.8	L35 L36 R41 R42 T43 F53	L35-T39 WeakPolarHBondContact O-CB 3.3Å; L35-T39 WeakPolarHBondContact O-CG2 3.26Å; L35-T39 PolarHBondContact O-N 3.44Å; L35-T39 PolarHBondContact O-OG1 3.42Å; L36-T39 VanDerWaalsContact C-OG1 3.27Å; L36-T39 WeakPolarHBondContact CA-OG1 3.33Å; L36-T39 PolarHBondContact O-OG1 3.49Å; T39-R41 PolarHBondContact O-N 3Å; T39-R42 PolarHBondContact O-N 3.21Å; T39-T43 WeakPolarHBondContact O-CG2 3.18Å; T39-T43 PolarHBondContact O-N 3.24Å; T39-T43 PolarHBondContact O-OG1 3.38Å; T39-F53 HydrophobicContact CG2-CD1 3.77Å; T39-F53 HydrophobicContact CG2-CE1 4.47Å
40	W	61.2	Low	70.1	Confident	141 Å²	141	91.4 Å²	91.4	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-58	-47.6	178	179.5	76.6	0	0	0	112.5	L36 F37 R42 T43 H44	L36-W40 WeakPolarHBondContact O-CB 3.5Å; L36-W40 PolarHBondContact O-N 3Å; F37-W40 HydrophobicContact CD2-CE3 4.11Å; F37-W40 HydrophobicContact CD2-CZ3 4.48Å; F37-W40 HydrophobicContact CE2-CE3 4.06Å; F37-W40 HydrophobicContact CE2-CZ3 4Å; F37-W40 PolarHBondContact O-N 2.99Å; W40-R42 PolarHBondContact O-N 3.43Å; W40-T43 VanDerWaalsContact CA-OG1 3.3Å; W40-T43 WeakPolarHBondContact CA-OG1 3.33Å; W40-T43 PolarHBondContact O-N 3.14Å; W40-T43 PolarHBondContact O-OG1 3.18Å; W40-H44 AromaticContact CD1-CD2 3.96Å; W40-H44 AromaticContact CE2-CD2 3.57Å; W40-H44 AromaticContact CZ2-CD2 3.87Å; W40-H44 AromaticContact NE1-CD2 3.35Å; W40-H44 PolarHBondContact NE1-CD2 3.45Å; W40-H44 VanDerWaalsContact NE1-CD2 3.35Å; W40-H44 AromaticContact NE1-NE2 3.71Å; W40-H44 PolarHBondContact O-N 3.19Å
41	R	59.3	Low	70.5	Confident	153 Å²	153	88.8 Å²	88.8	58%	0.577	44%	0.442	S	S	*	.	H	α-helix	trans	-65.7	-36.3	178.2	-168	178.1	-178.8	-166.2	1.6	112.5	F37 T39 H45	F37-R41 VanDerWaalsContact O-CB 3.26Å; F37-R41 WeakPolarHBondContact O-CB 3.49Å; F37-R41 PolarHBondContact O-N 3.09Å; T39-R41 PolarHBondContact O-N 3Å; R41-H45 PolarHBondContact O-CD2 3.42Å
42	R	57.8	Low	70.8	Confident	153 Å²	153	87.8 Å²	87.8	58%	0.577	44%	0.444	S	S	*	.	H	α-helix	trans	-72.6	-33.3	175	-81.1	-176.9	175.3	-177.4	-1.2	112.7	T38 T39 W40 F53	T38-R42 WeakPolarHBondContact O-CB 3.18Å; T38-R42 WeakPolarHBondContact O-CG 3.34Å; T38-R42 PolarHBondContact O-N 3.01Å; T39-R42 PolarHBondContact O-N 3.21Å; W40-R42 PolarHBondContact O-N 3.43Å; R42-F53 VanDerWaalsContact NH1-CE2 3.28Å
43	T	52.8	Low	70.9	Confident	80 Å²	80	84.8 Å²	84.8	49%	0.491	43%	0.427	S	S	.	.	H	α-helix	trans	-73.4	-31	176	47	0	0	0	0	112.7	T39 W40	T39-T43 WeakPolarHBondContact O-CG2 3.18Å; T39-T43 PolarHBondContact O-N 3.24Å; T39-T43 PolarHBondContact O-OG1 3.38Å; W40-T43 VanDerWaalsContact CA-OG1 3.3Å; W40-T43 WeakPolarHBondContact CA-OG1 3.33Å; W40-T43 PolarHBondContact O-N 3.14Å; W40-T43 PolarHBondContact O-OG1 3.18Å
44	H	45.9	Very low	71.2	Confident	121 Å²	121	87.4 Å²	87.4	56%	0.56	43%	0.433	S	S	*	.	H	α-helix	trans	-80.9	-21.1	-176.4	-112	-63.1	0	0	0	115.3	W40	W40-H44 AromaticContact CD1-CD2 3.96Å; W40-H44 AromaticContact CE2-CD2 3.57Å; W40-H44 AromaticContact CZ2-CD2 3.87Å; W40-H44 AromaticContact NE1-CD2 3.35Å; W40-H44 PolarHBondContact NE1-CD2 3.45Å; W40-H44 VanDerWaalsContact NE1-CD2 3.35Å; W40-H44 AromaticContact NE1-NE2 3.71Å; W40-H44 PolarHBondContact O-N 3.19Å
45	H	49.2	Very low	71.4	Confident	134 Å²	134	85.3 Å²	85.3	62%	0.62	43%	0.43	S	S	*	.	S	Bend	trans	-91.3	-10.9	-171.6	-93.6	-69.8	0	0	0	115.8	R41	R41-H45 PolarHBondContact O-CD2 3.42Å
46	S	53.2	Low	71.9	Confident	47 Å²	47	83.1 Å²	83.1	33%	0.329	42%	0.424	S	S	.	.			trans	-152.9	112.3	173.5	-56.4	0	0	0	0	110.4	I48	S46-I48 PolarHBondContact O-N 3.29Å
47	H	72.3	Confident	72.6	Confident	187 Å²	187	82.3 Å²	82.3	87%	0.866	42%	0.419	S	S	*	.			trans	-70.2	37.9	174	-93.3	-74.2	0	0	0	112.9	P49	H47-P49 WeakPolarHBondContact O-CD 3.4Å
48	I	87.5	Confident	73.5	Confident	22 Å²	22	77.1 Å²	77.1	11%	0.113	40%	0.398	C	S	.	.			trans	-78.3	121.8	179.3	-54.2	172.2	0	0	0	108.3	S46 I85 R87 L96 T387	S46-I48 PolarHBondContact O-N 3.29Å; I48-I85 HydrophobicContact CG2-CG2 4.36Å; I48-R87 HydrophobicContact CB-CB 4.21Å; I48-R87 HydrophobicContact CG2-CB 3.66Å; I48-L96 HydrophobicContact CD1-CD2 4.18Å; I48-L96 HydrophobicContact CG2-CD2 4.07Å; I48-T387 HydrophobicContact CD1-CG2 3.59Å; I48-T387 HydrophobicContact CG1-CG2 3.76Å
49	P	92.7	Very high	74.8	Confident	62 Å²	62	74.8 Å²	74.8	40%	0.403	38%	0.384	S	S	.	.			trans	-57.4	148.1	177.4	-23.8	34	0	0	0	112.1	H47 Y82 V86 R87	H47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-Y82 WeakPolarHBondContact CB-O 3.28Å; P49-V86 CarbonylContact O-C 3.58Å; P49-V86 WeakPolarHBondContact O-CA 3.45Å; P49-R87 PolarHBondContact O-N 3.31Å
50	G	93.3	Very high	76.4	Confident	19 Å²	19	78.4 Å²	78.4	20%	0.196	40%	0.402	C	S	.	.	S	Bend	trans	156	176.5	174.4	0	0	0	0	0	113.4	S52	G50-S52 PolarHBondContact O-N 3.37Å
51	P	92.6	Very high	78	Confident	16 Å²	16	77.9 Å²	77.9	10%	0.104	40%	0.403	C	S	.	.			trans	-53.4	140.6	172.3	22.3	-34.1	0	0	0	111.7	Y78 R87 V88 W89	P51-Y78 HydrophobicContact CG-CD1 4.46Å; P51-Y78 HydrophobicContact CG-CE1 3.89Å; P51-R87 WeakPolarHBondContact CD-O 3.43Å; P51-V88 HydrophobicContact CG-CG1 4.4Å; P51-W89 HydrophobicContact CB-CZ3 4.47Å; P51-W89 HydrophobicContact CG-CZ3 4.05Å; P51-W89 VanDerWaalsContact O-CH2 3.3Å; P51-W89 WeakPolarHBondContact O-CH2 3.48Å; P51-W89 WeakPolarHBondContact O-CZ3 3.41Å
52	S	87.9	Confident	79.7	Confident	81 Å²	81	70.7 Å²	70.7	57%	0.566	38%	0.376	S	S	*	.			trans	-64.8	143.3	175.7	-54.6	0	0	0	0	110.8	G50 M54 G58	G50-S52 PolarHBondContact O-N 3.37Å; S52-M54 VanDerWaalsContact C-N 3.28Å; S52-M54 PolarHBondContact O-N 3.4Å; S52-G58 VanDerWaalsContact O-CA 3.23Å; S52-G58 WeakPolarHBondContact O-CA 3.48Å
53	F	84.8	Confident	81.6	Confident	32 Å²	32	64.7 Å²	64.7	14%	0.14	35%	0.354	C	S	.	.			trans	-65.3	-30	-179.8	-178	-101.5	0	0	0	113	T39 R42 A55 G56 L57 G58 P59 W89	T39-F53 HydrophobicContact CG2-CD1 3.77Å; T39-F53 HydrophobicContact CG2-CE1 4.47Å; R42-F53 VanDerWaalsContact NH1-CE2 3.28Å; F53-A55 PolarHBondContact O-N 3.07Å; F53-G56 VanDerWaalsContact CE1-N 3.32Å; F53-G56 PolarHBondContact O-N 2.78Å; F53-L57 PolarHBondContact O-N 3Å; F53-G58 PolarHBondContact O-N 2.85Å; F53-P59 HydrophobicContact CD2-CG 3.52Å; F53-P59 HydrophobicContact CE2-CG 3.37Å; F53-P59 HydrophobicContact CZ-CG 4.36Å; F53-P59 WeakPolarHBondContact O-CD 3.19Å; F53-W89 HydrophobicContact CB-CH2 3.98Å; F53-W89 HydrophobicContact CB-CZ2 4.05Å; F53-W89 AromaticContact CD2-CE2 3.95Å; F53-W89 HydrophobicContact CD2-CH2 4.17Å; F53-W89 AromaticContact CD2-CZ2 3.59Å; F53-W89 HydrophobicContact CD2-CZ2 3.59Å; F53-W89 HydrophobicContact CG-CZ2 4.3Å
54	M	84.1	Confident	83.6	Confident	118 Å²	118	64.7 Å²	64.7	58%	0.581	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	40.2	59.6	176	-63.5	-175.6	71.8	0	0	113.7	S52 G56 L57	S52-M54 VanDerWaalsContact C-N 3.28Å; S52-M54 PolarHBondContact O-N 3.4Å; M54-G56 PolarHBondContact O-N 2.68Å; M54-L57 HydrophobicContact CB-CB 4.15Å; M54-L57 WeakPolarHBondContact O-CB 3.45Å; M54-L57 PolarHBondContact O-N 3.06Å
55	A	80.7	Confident	86.1	Confident	55 Å²	55	62.8 Å²	62.8	46%	0.455	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	51.5	30.3	179.1	0	0	0	0	0	114.9	L35 F53	L35-A55 HydrophobicContact CD2-CB 4.2Å; F53-A55 PolarHBondContact O-N 3.07Å
56	G	83.1	Confident	88.4	Confident	21 Å²	21	56.5 Å²	56.5	22%	0.216	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	99.7	-12.3	-179.8	0	0	0	0	0	114.7	F53 M54 P59 I60	F53-G56 VanDerWaalsContact CE1-N 3.32Å; F53-G56 PolarHBondContact O-N 2.78Å; M54-G56 PolarHBondContact O-N 2.68Å; G56-P59 WeakPolarHBondContact O-CD 3.44Å; G56-I60 WeakPolarHBondContact O-CG1 3.21Å
57	L	88.1	Confident	90.4	Very high	87 Å²	87	57.2 Å²	57.2	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-34.9	174.3	-65.4	176.7	0	0	0	112.3	F53 M54 I60 F61	F53-L57 PolarHBondContact O-N 3Å; M54-L57 HydrophobicContact CB-CB 4.15Å; M54-L57 WeakPolarHBondContact O-CB 3.45Å; M54-L57 PolarHBondContact O-N 3.06Å; L57-I60 PolarHBondContact O-N 2.95Å; L57-I60 VanDerWaalsContact O-N 3.14Å; L57-F61 HydrophobicContact CB-CD2 4.16Å; L57-F61 HydrophobicContact CB-CE2 3.86Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L57-F61 PolarHBondContact O-N 3.28Å
58	G	90.5	Very high	91.5	Very high	4 Å²	4	59 Å²	59	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-54	-54.3	176.6	0	0	0	0	0	112.8	S52 F53 I60 F61 S62	S52-G58 VanDerWaalsContact O-CA 3.23Å; S52-G58 WeakPolarHBondContact O-CA 3.48Å; F53-G58 PolarHBondContact O-N 2.85Å; G58-I60 VanDerWaalsContact C-N 3.29Å; G58-I60 PolarHBondContact O-N 2.9Å; G58-F61 PolarHBondContact O-N 3.18Å; G58-S62 PolarHBondContact O-N 3.28Å; G58-S62 PolarHBondContact O-OG 2.75Å
59	P	93.5	Very high	91.9	Very high	17 Å²	17	60.5 Å²	60.5	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-55.1	-38.9	173.4	-27.1	29.3	0	0	0	115.2	F53 G56 S62 Y63 W89	F53-P59 HydrophobicContact CD2-CG 3.52Å; F53-P59 HydrophobicContact CE2-CG 3.37Å; F53-P59 HydrophobicContact CZ-CG 4.36Å; F53-P59 WeakPolarHBondContact O-CD 3.19Å; G56-P59 WeakPolarHBondContact O-CD 3.44Å; P59-S62 PolarHBondContact O-OG 3.2Å; P59-S62 VanDerWaalsContact O-OG 3.06Å; P59-Y63 WeakPolarHBondContact O-CB 3.37Å; P59-Y63 PolarHBondContact O-N 3.47Å; P59-W89 HydrophobicContact CB-CB 3.74Å; P59-W89 HydrophobicContact CB-CD2 4.08Å; P59-W89 HydrophobicContact CB-CE3 4.36Å; P59-W89 HydrophobicContact CB-CG 3.81Å; P59-W89 HydrophobicContact CG-CB 4.29Å; P59-W89 HydrophobicContact CG-CD2 3.68Å; P59-W89 HydrophobicContact CG-CE3 4.02Å; P59-W89 HydrophobicContact CG-CG 3.8Å
60	I	93.6	Very high	92.1	Very high	97 Å²	97	57.7 Å²	57.7	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-52.2	178.7	-64.1	169.1	0	0	0	109.4	G56 L57 G58 S62 Y63 T64	G56-I60 WeakPolarHBondContact O-CG1 3.21Å; L57-I60 PolarHBondContact O-N 2.95Å; L57-I60 VanDerWaalsContact O-N 3.14Å; G58-I60 VanDerWaalsContact C-N 3.29Å; G58-I60 PolarHBondContact O-N 2.9Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 2.87Å; I60-Y63 PolarHBondContact O-N 3.42Å; I60-T64 WeakPolarHBondContact O-CB 3.35Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 2.89Å
61	F	94.8	Very high	92.3	Very high	130 Å²	130	56.9 Å²	56.9	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-38.7	179.3	-69.5	-56.3	0	0	0	112.8	L57 G58 R65	L57-F61 HydrophobicContact CB-CD2 4.16Å; L57-F61 HydrophobicContact CB-CE2 3.86Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L57-F61 PolarHBondContact O-N 3.28Å; G58-F61 PolarHBondContact O-N 3.18Å; F61-R65 PolarHBondContact O-N 3.42Å; F61-R65 VanDerWaalsContact O-N 3.13Å
62	S	96	Very high	92.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-48.8	176.8	66.6	0	0	0	0	110.9	G58 P59 I60 R65 F66 Y78 W89	G58-S62 PolarHBondContact O-N 3.28Å; G58-S62 PolarHBondContact O-OG 2.75Å; P59-S62 PolarHBondContact O-OG 3.2Å; P59-S62 VanDerWaalsContact O-OG 3.06Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 2.87Å; S62-R65 WeakPolarHBondContact O-CB 3.25Å; S62-R65 PolarHBondContact O-N 2.73Å; S62-F66 VanDerWaalsContact O-CD2 3.23Å; S62-F66 WeakPolarHBondContact O-CD2 3.48Å; S62-F66 PolarHBondContact O-N 3.01Å; S62-Y78 WeakPolarHBondContact CA-OH 3.46Å; S62-W89 PolarHBondContact OG-N 3.11Å; S62-W89 VanDerWaalsContact OG-N 3.15Å; S62-W89 PolarHBondContact OG-O 2.77Å
63	Y	96.6	Very high	93.1	Very high	28 Å²	28	55.1 Å²	55.1	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-42.3	-178.3	-173.7	-154.2	0	0	0	112.6	P59 I60 R65 F66 I67 W89 I90 N91 I230 K231 P232	P59-Y63 WeakPolarHBondContact O-CB 3.37Å; P59-Y63 PolarHBondContact O-N 3.47Å; I60-Y63 PolarHBondContact O-N 3.42Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 3.46Å; Y63-F66 WeakPolarHBondContact O-CB 3.24Å; Y63-F66 PolarHBondContact O-N 2.95Å; Y63-F66 VanDerWaalsContact O-N 3.11Å; Y63-I67 HydrophobicContact CD2-CD1 4.48Å; Y63-I67 HydrophobicContact CD2-CG1 4.04Å; Y63-I67 HydrophobicContact CE2-CD1 3.89Å; Y63-I67 HydrophobicContact CE2-CG1 3.89Å; Y63-I67 WeakPolarHBondContact O-CG1 3.47Å; Y63-I67 PolarHBondContact O-N 2.8Å; Y63-W89 PolarHBondContact N-O 3.17Å; Y63-I90 HydrophobicContact CD2-CG2 4.04Å; Y63-I90 HydrophobicContact CE2-CG2 3.9Å; Y63-N91 HydrophobicContact CE1-CB 4.12Å; Y63-N91 HydrophobicContact CE2-CB 4.42Å; Y63-N91 PolarHBondContact OH-OD1 3.44Å; Y63-I230 WeakPolarHBondContact CE2-O 3.4Å; Y63-I230 PolarHBondContact OH-O 2.66Å; Y63-K231 VanDerWaalsContact OH-C 3.31Å; Y63-P232 HydrophobicContact CE1-CB 4.09Å; Y63-P232 WeakPolarHBondContact OH-CA 3.48Å; Y63-P232 VanDerWaalsContact OH-CD 3.31Å; Y63-P232 WeakPolarHBondContact OH-CD 3.32Å
64	T	96.3	Very high	93.7	Very high	80 Å²	80	53.6 Å²	53.6	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-39.5	174.4	-61.9	0	0	0	0	111.5	I60 I67 W68	I60-T64 WeakPolarHBondContact O-CB 3.35Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 2.89Å; T64-I67 PolarHBondContact O-N 3.04Å; T64-W68 VanDerWaalsContact O-CB 3.3Å; T64-W68 WeakPolarHBondContact O-CB 3.32Å; T64-W68 PolarHBondContact O-N 2.79Å
65	R	97.3	Very high	94.4	Very high	81 Å²	81	48 Å²	48	31%	0.306	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-47.3	174.8	179.3	170.3	-76.5	130	-5.2	111.6	F61 S62 Y63 I67 W68 T69 A74 Y77 Y78	F61-R65 PolarHBondContact O-N 3.42Å; F61-R65 VanDerWaalsContact O-N 3.13Å; S62-R65 WeakPolarHBondContact O-CB 3.25Å; S62-R65 PolarHBondContact O-N 2.73Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 3.46Å; R65-I67 VanDerWaalsContact C-N 3.28Å; R65-I67 PolarHBondContact O-N 3.18Å; R65-W68 PolarHBondContact O-N 3.06Å; R65-W68 VanDerWaalsContact O-N 3.14Å; R65-T69 HydrophobicContact CG-CG2 4.3Å; R65-T69 PolarHBondContact O-N 2.59Å; R65-T69 PolarHBondContact O-OG1 2.77Å; R65-A74 HydrophobicContact CG-CB 4.16Å; R65-Y77 VanDerWaalsContact CZ-CZ 3.47Å; R65-Y77 PolarHBondContact NH2-OH 3.32Å; R65-Y78 HydrophobicContact CG-CE2 4.49Å; R65-Y78 PolarHBondContact NH1-OH 2.68Å; R65-Y78 VanDerWaalsContact NH1-OH 3.09Å
66	F	97.5	Very high	95.2	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-43.7	175.8	-83.3	-82	0	0	0	112.2	S62 Y63 W68 G70 I71 A74 Y78 V88 I90 I97 I230 I396	S62-F66 VanDerWaalsContact O-CD2 3.23Å; S62-F66 WeakPolarHBondContact O-CD2 3.48Å; S62-F66 PolarHBondContact O-N 3.01Å; Y63-F66 WeakPolarHBondContact O-CB 3.24Å; Y63-F66 PolarHBondContact O-N 2.95Å; Y63-F66 VanDerWaalsContact O-N 3.11Å; F66-W68 PolarHBondContact O-N 2.84Å; F66-G70 CarbonylContact O-C 3.49Å; F66-G70 WeakPolarHBondContact O-CA 3.49Å; F66-G70 PolarHBondContact O-N 3.1Å; F66-G70 VanDerWaalsContact O-N 3.1Å; F66-I71 HydrophobicContact CD1-CB 4.35Å; F66-I71 HydrophobicContact CD1-CG1 4.29Å; F66-I71 HydrophobicContact CD1-CG2 4.29Å; F66-I71 HydrophobicContact CE1-CG2 4.15Å; F66-A74 HydrophobicContact CD1-CB 3.65Å; F66-A74 HydrophobicContact CD2-CB 4.33Å; F66-A74 HydrophobicContact CE1-CB 3.69Å; F66-A74 HydrophobicContact CE2-CB 4.37Å; F66-A74 HydrophobicContact CG-CB 3.95Å; F66-A74 HydrophobicContact CZ-CB 4.05Å; F66-Y78 HydrophobicContact CD2-CE2 4.43Å; F66-Y78 HydrophobicContact CE2-CD2 4.08Å; F66-Y78 AromaticContact CE2-CE2 3.8Å; F66-Y78 HydrophobicContact CE2-CE2 3.8Å; F66-Y78 HydrophobicContact CZ-CD2 4.23Å; F66-Y78 HydrophobicContact CZ-CE2 4.38Å; F66-V88 HydrophobicContact CE2-CB 4.18Å; F66-V88 HydrophobicContact CE2-CG2 3.73Å; F66-V88 HydrophobicContact CZ-CG2 4Å; F66-I90 HydrophobicContact CD1-CD1 4.06Å; F66-I90 HydrophobicContact CD2-CD1 4.22Å; F66-I90 HydrophobicContact CD2-CG1 3.93Å; F66-I90 HydrophobicContact CE1-CD1 4.02Å; F66-I90 HydrophobicContact CE2-CD1 4.19Å; F66-I90 HydrophobicContact CE2-CG1 4.09Å; F66-I90 HydrophobicContact CG-CD1 4.2Å; F66-I90 HydrophobicContact CG-CG1 4.24Å; F66-I90 HydrophobicContact CZ-CD1 4.09Å; F66-I90 HydrophobicContact CZ-CG1 4.49Å; F66-I97 HydrophobicContact CZ-CD1 3.83Å; F66-I230 HydrophobicContact CB-CD1 3.9Å; F66-I396 HydrophobicContact CE1-CD1 4Å; F66-I396 HydrophobicContact CZ-CD1 4.3Å
67	I	95.9	Very high	95.9	Very high	62 Å²	62	50.1 Å²	50.1	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-68.1	-33	178.5	-64.5	-60.9	0	0	0	112.9	Y63 T64 R65 I230 K231	Y63-I67 HydrophobicContact CD2-CD1 4.48Å; Y63-I67 HydrophobicContact CD2-CG1 4.04Å; Y63-I67 HydrophobicContact CE2-CD1 3.89Å; Y63-I67 HydrophobicContact CE2-CG1 3.89Å; Y63-I67 WeakPolarHBondContact O-CG1 3.47Å; Y63-I67 PolarHBondContact O-N 2.8Å; T64-I67 PolarHBondContact O-N 3.04Å; R65-I67 VanDerWaalsContact C-N 3.28Å; R65-I67 PolarHBondContact O-N 3.18Å; I67-I230 HydrophobicContact CD1-CD1 3.88Å; I67-I230 HydrophobicContact CD1-CG1 3.94Å; I67-K231 HydrophobicContact CD1-CD 4.13Å
68	W	95.4	Very high	96.4	Very high	224 Å²	224	46.1 Å²	46.1	85%	0.848	22%	0.219	S	C	*	.	H	α-helix	trans	-86.4	-42.1	-174.8	-173.9	-88.8	0	0	0	113.4	T64 R65 F66	T64-W68 VanDerWaalsContact O-CB 3.3Å; T64-W68 WeakPolarHBondContact O-CB 3.32Å; T64-W68 PolarHBondContact O-N 2.79Å; R65-W68 PolarHBondContact O-N 3.06Å; R65-W68 VanDerWaalsContact O-N 3.14Å; F66-W68 PolarHBondContact O-N 2.84Å
69	T	96.1	Very high	96.8	Very high	54 Å²	54	46.2 Å²	46.2	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-100.6	-15.9	-174	62.9	0	0	0	0	113.6	R65 T73	R65-T69 HydrophobicContact CG-CG2 4.3Å; R65-T69 PolarHBondContact O-N 2.59Å; R65-T69 PolarHBondContact O-OG1 2.77Å; T69-T73 WeakPolarHBondContact O-CB 3.37Å; T69-T73 PolarHBondContact O-OG1 2.84Å
70	G	96.7	Very high	96.9	Very high	4 Å²	4	51 Å²	51	4%	0.041	24%	0.243	C	C	.	.			trans	89.7	158.3	-170.8	0	0	0	0	0	113.5	F66 A74 D477	F66-G70 CarbonylContact O-C 3.49Å; F66-G70 WeakPolarHBondContact O-CA 3.49Å; F66-G70 PolarHBondContact O-N 3.1Å; F66-G70 VanDerWaalsContact O-N 3.1Å; G70-A74 WeakPolarHBondContact O-CB 3.45Å; G70-A74 PolarHBondContact O-N 2.82Å; G70-D477 VanDerWaalsContact CA-CG 3.48Å; G70-D477 WeakPolarHBondContact CA-OD1 3.42Å
71	I	97.9	Very high	97.1	Very high	1 Å²	1	52 Å²	52	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-50.9	-171.2	-58.2	163.1	0	0	0	112.5	F66 A74 S75 L229 I230 F373 I396 D477	F66-I71 HydrophobicContact CD1-CB 4.35Å; F66-I71 HydrophobicContact CD1-CG1 4.29Å; F66-I71 HydrophobicContact CD1-CG2 4.29Å; F66-I71 HydrophobicContact CE1-CG2 4.15Å; I71-A74 PolarHBondContact O-N 3.49Å; I71-S75 VanDerWaalsContact O-CB 3.3Å; I71-S75 WeakPolarHBondContact O-CB 3.42Å; I71-S75 PolarHBondContact O-N 2.91Å; I71-S75 PolarHBondContact O-OG 3.4Å; I71-L229 HydrophobicContact CD1-CD2 4.25Å; I71-I230 HydrophobicContact CD1-CD1 4.18Å; I71-I230 HydrophobicContact CD1-CG1 4.35Å; I71-I230 HydrophobicContact CD1-CG2 4.01Å; I71-I230 HydrophobicContact CG1-CD1 3.79Å; I71-I230 HydrophobicContact CG1-CG1 4.49Å; I71-F373 HydrophobicContact CB-CE1 4.06Å; I71-F373 HydrophobicContact CB-CE2 4.34Å; I71-F373 HydrophobicContact CB-CZ 3.66Å; I71-F373 HydrophobicContact CD1-CZ 4.39Å; I71-F373 HydrophobicContact CG2-CD1 4.46Å; I71-F373 HydrophobicContact CG2-CD2 4.23Å; I71-F373 HydrophobicContact CG2-CE1 3.87Å; I71-F373 HydrophobicContact CG2-CE2 3.56Å; I71-F373 HydrophobicContact CG2-CZ 3.36Å; I71-I396 HydrophobicContact CG2-CD1 4.04Å; I71-D477 WeakPolarHBondContact CB-O 3.28Å; I71-D477 WeakPolarHBondContact CG1-OD1 3.37Å; I71-D477 PolarHBondContact N-OD1 3.33Å
72	G	97.6	Very high	97.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-47.4	179.9	0	0	0	0	0	112.3	A74 S75 N76 N476 D477	G72-A74 PolarHBondContact O-N 2.91Å; G72-S75 PolarHBondContact O-N 3.19Å; G72-N76 PolarHBondContact O-N 3.44Å; G72-N76 PolarHBondContact O-ND2 3.48Å; G72-N476 WeakPolarHBondContact CA-OD1 3.39Å; G72-N476 PolarHBondContact N-O 3.11Å; G72-D477 PolarHBondContact N-O 2.95Å
73	T	97.9	Very high	97.2	Very high	61 Å²	61	50.7 Å²	50.7	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-45.8	177.1	-55.1	0	0	0	0	112.3	T69 S75 N76 Y77 N476	T69-T73 WeakPolarHBondContact O-CB 3.37Å; T69-T73 PolarHBondContact O-OG1 2.84Å; T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 3.44Å; T73-N76 PolarHBondContact O-N 3.42Å; T73-Y77 PolarHBondContact O-N 3.22Å; T73-N476 PolarHBondContact N-O 3.12Å; T73-N476 PolarHBondContact OG1-O 3.04Å
74	A	98.3	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-39.5	177	0	0	0	0	0	111.6	R65 F66 G70 I71 G72 Y77 Y78	R65-A74 HydrophobicContact CG-CB 4.16Å; F66-A74 HydrophobicContact CD1-CB 3.65Å; F66-A74 HydrophobicContact CD2-CB 4.33Å; F66-A74 HydrophobicContact CE1-CB 3.69Å; F66-A74 HydrophobicContact CE2-CB 4.37Å; F66-A74 HydrophobicContact CG-CB 3.95Å; F66-A74 HydrophobicContact CZ-CB 4.05Å; G70-A74 WeakPolarHBondContact O-CB 3.45Å; G70-A74 PolarHBondContact O-N 2.82Å; I71-A74 PolarHBondContact O-N 3.49Å; G72-A74 PolarHBondContact O-N 2.91Å; A74-Y77 WeakPolarHBondContact O-CB 3.23Å; A74-Y77 PolarHBondContact O-N 3.23Å; A74-Y78 WeakPolarHBondContact O-CD2 3.45Å; A74-Y78 PolarHBondContact O-N 3.05Å
75	S	98.4	Very high	97.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-45.2	178.5	-59.6	0	0	0	0	111.8	I71 G72 T73 Y77 Y78 N79	I71-S75 VanDerWaalsContact O-CB 3.3Å; I71-S75 WeakPolarHBondContact O-CB 3.42Å; I71-S75 PolarHBondContact O-N 2.91Å; I71-S75 PolarHBondContact O-OG 3.4Å; G72-S75 PolarHBondContact O-N 3.19Å; T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 3.44Å; S75-Y77 PolarHBondContact O-N 2.61Å; S75-Y78 PolarHBondContact O-N 2.82Å; S75-N79 PolarHBondContact O-N 3.16Å; S75-N79 PolarHBondContact O-OD1 3.12Å
76	N	98	Very high	97.1	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-44.3	173.6	-73.9	-39	0	0	0	111.9	G72 T73 Y78 N79 N80 N398	G72-N76 PolarHBondContact O-N 3.44Å; G72-N76 PolarHBondContact O-ND2 3.48Å; T73-N76 PolarHBondContact O-N 3.42Å; N76-Y78 PolarHBondContact O-N 2.93Å; N76-N79 PolarHBondContact O-N 3.1Å; N76-N80 VanDerWaalsContact O-CB 3.29Å; N76-N80 WeakPolarHBondContact O-CB 3.46Å; N76-N80 PolarHBondContact O-N 3.36Å; N76-N80 PolarHBondContact O-ND2 3.12Å; N76-N398 PolarHBondContact OD1-ND2 3.29Å; N76-N398 PolarHBondContact OD1-OD1 3.04Å
77	Y	98.4	Very high	97.1	Very high	82 Å²	82	45.3 Å²	45.3	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-56.2	-49	175.4	171.5	-87.8	0	0	0	112.2	R65 T73 A74 S75 K81	R65-Y77 VanDerWaalsContact CZ-CZ 3.47Å; R65-Y77 PolarHBondContact NH2-OH 3.32Å; T73-Y77 PolarHBondContact O-N 3.22Å; A74-Y77 WeakPolarHBondContact O-CB 3.23Å; A74-Y77 PolarHBondContact O-N 3.23Å; S75-Y77 PolarHBondContact O-N 2.61Å; Y77-K81 HydrophobicContact CE1-CD 4.01Å; Y77-K81 VanDerWaalsContact O-CB 3.3Å; Y77-K81 WeakPolarHBondContact O-CB 3.49Å; Y77-K81 PolarHBondContact O-N 3.27Å; Y77-K81 VanDerWaalsContact O-N 3.08Å; Y77-K81 WeakPolarHBondContact OH-CD 3.25Å; Y77-K81 PolarHBondContact OH-NZ 3.32Å
78	Y	98.4	Very high	97.1	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-42.6	-176.9	-79.3	-63.6	0	0	0	112.1	P51 S62 R65 F66 A74 S75 N76 K81 Y82 V88 I97	P51-Y78 HydrophobicContact CG-CD1 4.46Å; P51-Y78 HydrophobicContact CG-CE1 3.89Å; S62-Y78 WeakPolarHBondContact CA-OH 3.46Å; R65-Y78 HydrophobicContact CG-CE2 4.49Å; R65-Y78 PolarHBondContact NH1-OH 2.68Å; R65-Y78 VanDerWaalsContact NH1-OH 3.09Å; F66-Y78 HydrophobicContact CD2-CE2 4.43Å; F66-Y78 HydrophobicContact CE2-CD2 4.08Å; F66-Y78 AromaticContact CE2-CE2 3.8Å; F66-Y78 HydrophobicContact CE2-CE2 3.8Å; F66-Y78 HydrophobicContact CZ-CD2 4.23Å; F66-Y78 HydrophobicContact CZ-CE2 4.38Å; A74-Y78 WeakPolarHBondContact O-CD2 3.45Å; A74-Y78 PolarHBondContact O-N 3.05Å; S75-Y78 PolarHBondContact O-N 2.82Å; N76-Y78 PolarHBondContact O-N 2.93Å; Y78-K81 PolarHBondContact O-N 3.37Å; Y78-Y82 AromaticContact CD1-CD2 3.86Å; Y78-Y82 HydrophobicContact CD1-CD2 3.86Å; Y78-Y82 AromaticContact CD1-CE2 3.66Å; Y78-Y82 HydrophobicContact CD1-CE2 3.66Å; Y78-Y82 HydrophobicContact CE1-CE2 4.05Å; Y78-Y82 WeakPolarHBondContact O-CD2 3.4Å; Y78-Y82 PolarHBondContact O-N 2.92Å; Y78-V88 HydrophobicContact CD1-CG1 3.8Å; Y78-V88 HydrophobicContact CD2-CG1 3.72Å; Y78-V88 HydrophobicContact CE1-CG1 4.08Å; Y78-V88 HydrophobicContact CE2-CG1 3.99Å; Y78-V88 HydrophobicContact CG-CG1 3.67Å; Y78-I97 HydrophobicContact CD2-CD1 4.09Å; Y78-I97 HydrophobicContact CG-CD1 4.28Å
79	N	98	Very high	97.2	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-42.6	177	-76.3	134.3	0	0	0	112.4	S75 N76 K81 G83 I97 N398 L401	S75-N79 PolarHBondContact O-N 3.16Å; S75-N79 PolarHBondContact O-OD1 3.12Å; N76-N79 PolarHBondContact O-N 3.1Å; N79-K81 PolarHBondContact O-N 2.84Å; N79-G83 CarbonylContact C-O 3.58Å; N79-G83 VanDerWaalsContact CA-O 3.22Å; N79-G83 WeakPolarHBondContact CA-O 3.2Å; N79-G83 PolarHBondContact ND2-O 3Å; N79-G83 CarbonylContact O-C 3.42Å; N79-G83 WeakPolarHBondContact O-CA 3.3Å; N79-G83 PolarHBondContact O-N 2.91Å; N79-I97 PolarHBondContact ND2-O 2.94Å; N79-I97 WeakPolarHBondContact OD1-CG2 3.49Å; N79-N398 PolarHBondContact OD1-ND2 2.86Å; N79-N398 VanDerWaalsContact OD1-ND2 3.15Å; N79-L401 HydrophobicContact CB-CD2 3.38Å
80	N	97	Very high	97.2	Very high	118 Å²	118	30 Å²	30	63%	0.631	15%	0.154	S	C	*	.	H	α-helix	trans	-64.4	-30.3	177.7	-70.9	-19.8	0	0	0	112.4	N76	N76-N80 VanDerWaalsContact O-CB 3.29Å; N76-N80 WeakPolarHBondContact O-CB 3.46Å; N76-N80 PolarHBondContact O-N 3.36Å; N76-N80 PolarHBondContact O-ND2 3.12Å
81	K	97.2	Very high	96.9	Very high	117 Å²	117	33.2 Å²	33.2	51%	0.509	17%	0.17	S	C	.	.	H	α-helix	trans	-86	-39.7	-178.4	-174.8	169.4	-178.1	-179.7	0	114.3	Y77 Y78 N79	Y77-K81 HydrophobicContact CE1-CD 4.01Å; Y77-K81 VanDerWaalsContact O-CB 3.3Å; Y77-K81 WeakPolarHBondContact O-CB 3.49Å; Y77-K81 PolarHBondContact O-N 3.27Å; Y77-K81 VanDerWaalsContact O-N 3.08Å; Y77-K81 WeakPolarHBondContact OH-CD 3.25Å; Y77-K81 PolarHBondContact OH-NZ 3.32Å; Y78-K81 PolarHBondContact O-N 3.37Å; N79-K81 PolarHBondContact O-N 2.84Å
82	Y	96.1	Very high	96.4	Very high	70 Å²	70	36 Å²	36	28%	0.275	20%	0.199	S	C	.	.	H	α-helix	trans	-116.4	-4	-169.7	-60.6	-80.9	0	0	0	114	P49 Y78 V86	P49-Y82 WeakPolarHBondContact CB-O 3.28Å; Y78-Y82 AromaticContact CD1-CD2 3.86Å; Y78-Y82 HydrophobicContact CD1-CD2 3.86Å; Y78-Y82 AromaticContact CD1-CE2 3.66Å; Y78-Y82 HydrophobicContact CD1-CE2 3.66Å; Y78-Y82 HydrophobicContact CE1-CE2 4.05Å; Y78-Y82 WeakPolarHBondContact O-CD2 3.4Å; Y78-Y82 PolarHBondContact O-N 2.92Å; Y82-V86 HydrophobicContact CD2-CG1 4.06Å; Y82-V86 HydrophobicContact CG-CG1 4.19Å
83	G	95.4	Very high	96.2	Very high	34 Å²	34	40.3 Å²	40.3	35%	0.351	22%	0.219	S	C	.	.			trans	104.3	-168.8	179.1	0	0	0	0	0	113.8	N79 I85 V86	N79-G83 CarbonylContact C-O 3.58Å; N79-G83 VanDerWaalsContact CA-O 3.22Å; N79-G83 WeakPolarHBondContact CA-O 3.2Å; N79-G83 PolarHBondContact ND2-O 3Å; N79-G83 CarbonylContact O-C 3.42Å; N79-G83 WeakPolarHBondContact O-CA 3.3Å; N79-G83 PolarHBondContact O-N 2.91Å; G83-I85 PolarHBondContact O-N 2.84Å; G83-V86 WeakPolarHBondContact O-CG2 3.45Å
84	S	95.9	Very high	96	Very high	25 Å²	25	40.5 Å²	40.5	18%	0.175	22%	0.216	C	C	.	.	S	Bend	trans	-80.4	-12.4	-167.8	62.9	0	0	0	0	115.5	L98 S99 R100	S84-L98 CarbonylContact O-C 3.47Å; S84-L98 WeakPolarHBondContact O-CA 3.43Å; S84-S99 WeakPolarHBondContact CA-OG 3.33Å; S84-S99 WeakPolarHBondContact CB-OG 3.27Å; S84-S99 PolarHBondContact O-N 3.11Å; S84-R100 VanDerWaalsContact OG-CZ 3.27Å; S84-R100 PolarHBondContact OG-NE 2.95Å; S84-R100 VanDerWaalsContact OG-NE 3.15Å; S84-R100 PolarHBondContact OG-NH2 3.04Å
85	I	96.2	Very high	96	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.2	175.8	-60.1	-178.1	0	0	0	106.7	I48 G83 L98 A103	I48-I85 HydrophobicContact CG2-CG2 4.36Å; G83-I85 PolarHBondContact O-N 2.84Å; I85-L98 HydrophobicContact CB-CD2 4.12Å; I85-L98 HydrophobicContact CG1-CD2 3.96Å; I85-L98 HydrophobicContact CG2-CD2 3.68Å; I85-A103 HydrophobicContact CD1-CB 4.38Å
86	V	96.8	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.8	-172.2	-172.7	0	0	0	0	110.9	P49 Y82 G83 V88 L96 I97	P49-V86 CarbonylContact O-C 3.58Å; P49-V86 WeakPolarHBondContact O-CA 3.45Å; Y82-V86 HydrophobicContact CD2-CG1 4.06Å; Y82-V86 HydrophobicContact CG-CG1 4.19Å; G83-V86 WeakPolarHBondContact O-CG2 3.45Å; V86-V88 HydrophobicContact CG1-CG1 4.3Å; V86-L96 CarbonylContact O-C 3.52Å; V86-L96 VanDerWaalsContact O-CA 3.32Å; V86-L96 WeakPolarHBondContact O-CA 3.49Å; V86-I97 PolarHBondContact N-O 2.86Å; V86-I97 PolarHBondContact O-N 3.34Å
87	R	96.8	Very high	96	Very high	37 Å²	37	38.8 Å²	38.8	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.6	172.7	-175.3	-80.1	-55.4	-87.6	-1	111.1	I48 P49 P51 W89 E94 L96	I48-R87 HydrophobicContact CB-CB 4.21Å; I48-R87 HydrophobicContact CG2-CB 3.66Å; P49-R87 PolarHBondContact O-N 3.31Å; P51-R87 WeakPolarHBondContact CD-O 3.43Å; R87-W89 VanDerWaalsContact CD-CZ2 3.5Å; R87-W89 VanDerWaalsContact NH1-CZ2 3.25Å; R87-E94 HydrophobicContact CG-CG 3.76Å; R87-E94 WeakPolarHBondContact CG-OE1 3.42Å; R87-E94 IonicContact NH1-OE1 3.34Å; R87-E94 PolarHBondContact NH1-OE1 3.09Å; R87-L96 HydrophobicContact CB-CD2 3.83Å; R87-L96 HydrophobicContact CG-CD2 4.09Å
88	V	97.4	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	179.7	171.5	-59	0	0	0	0	110.3	P51 F66 Y78 V86 T95 I97	P51-V88 HydrophobicContact CG-CG1 4.4Å; F66-V88 HydrophobicContact CE2-CB 4.18Å; F66-V88 HydrophobicContact CE2-CG2 3.73Å; F66-V88 HydrophobicContact CZ-CG2 4Å; Y78-V88 HydrophobicContact CD1-CG1 3.8Å; Y78-V88 HydrophobicContact CD2-CG1 3.72Å; Y78-V88 HydrophobicContact CE1-CG1 4.08Å; Y78-V88 HydrophobicContact CE2-CG1 3.99Å; Y78-V88 HydrophobicContact CG-CG1 3.67Å; V86-V88 HydrophobicContact CG1-CG1 4.3Å; V88-T95 HydrophobicContact CG2-CG2 4.34Å; V88-T95 WeakPolarHBondContact CG2-O 3.21Å; V88-T95 PolarHBondContact N-O 3.37Å; V88-T95 PolarHBondContact O-N 3.16Å; V88-T95 VanDerWaalsContact O-O 3.12Å; V88-I97 HydrophobicContact CG1-CD1 3.94Å; V88-I97 HydrophobicContact CG2-CD1 3.88Å; V88-I97 HydrophobicContact CG2-CG1 3.96Å
89	W	96.9	Very high	96	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.045	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.9	170.8	-54.6	-96.5	0	0	0	111.6	P51 F53 P59 S62 Y63 R87 E93	P51-W89 HydrophobicContact CB-CZ3 4.47Å; P51-W89 HydrophobicContact CG-CZ3 4.05Å; P51-W89 VanDerWaalsContact O-CH2 3.3Å; P51-W89 WeakPolarHBondContact O-CH2 3.48Å; P51-W89 WeakPolarHBondContact O-CZ3 3.41Å; F53-W89 HydrophobicContact CB-CH2 3.98Å; F53-W89 HydrophobicContact CB-CZ2 4.05Å; F53-W89 AromaticContact CD2-CE2 3.95Å; F53-W89 HydrophobicContact CD2-CH2 4.17Å; F53-W89 AromaticContact CD2-CZ2 3.59Å; F53-W89 HydrophobicContact CD2-CZ2 3.59Å; F53-W89 HydrophobicContact CG-CZ2 4.3Å; P59-W89 HydrophobicContact CB-CB 3.74Å; P59-W89 HydrophobicContact CB-CD2 4.08Å; P59-W89 HydrophobicContact CB-CE3 4.36Å; P59-W89 HydrophobicContact CB-CG 3.81Å; P59-W89 HydrophobicContact CG-CB 4.29Å; P59-W89 HydrophobicContact CG-CD2 3.68Å; P59-W89 HydrophobicContact CG-CE3 4.02Å; P59-W89 HydrophobicContact CG-CG 3.8Å; S62-W89 PolarHBondContact OG-N 3.11Å; S62-W89 VanDerWaalsContact OG-N 3.15Å; S62-W89 PolarHBondContact OG-O 2.77Å; Y63-W89 PolarHBondContact N-O 3.17Å; R87-W89 VanDerWaalsContact CD-CZ2 3.5Å; R87-W89 VanDerWaalsContact NH1-CZ2 3.25Å; W89-E93 VanDerWaalsContact CA-O 3.22Å; W89-E93 WeakPolarHBondContact CA-O 3.32Å
90	I	95.8	Very high	96	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	173.6	-59.8	177.9	0	0	0	106.7	Y63 F66 G92 E93 T95 F117 I230 I396	Y63-I90 HydrophobicContact CD2-CG2 4.04Å; Y63-I90 HydrophobicContact CE2-CG2 3.9Å; F66-I90 HydrophobicContact CD1-CD1 4.06Å; F66-I90 HydrophobicContact CD2-CD1 4.22Å; F66-I90 HydrophobicContact CD2-CG1 3.93Å; F66-I90 HydrophobicContact CE1-CD1 4.02Å; F66-I90 HydrophobicContact CE2-CD1 4.19Å; F66-I90 HydrophobicContact CE2-CG1 4.09Å; F66-I90 HydrophobicContact CG-CD1 4.2Å; F66-I90 HydrophobicContact CG-CG1 4.24Å; F66-I90 HydrophobicContact CZ-CD1 4.09Å; F66-I90 HydrophobicContact CZ-CG1 4.49Å; I90-G92 PolarHBondContact O-N 3.02Å; I90-E93 PolarHBondContact N-O 3.25Å; I90-E93 PolarHBondContact O-N 2.78Å; I90-T95 HydrophobicContact CD1-CG2 4.11Å; I90-F117 HydrophobicContact CD1-CE2 4.25Å; I90-F117 HydrophobicContact CD1-CZ 4.43Å; I90-I230 HydrophobicContact CG2-CB 4.2Å; I90-I230 HydrophobicContact CG2-CG2 4.26Å; I90-I396 HydrophobicContact CD1-CD1 3.94Å
91	N	90.1	Very high	96	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.4	-176.5	-159.4	47.5	0	0	0	114.1	Y63 E93	Y63-N91 HydrophobicContact CE1-CB 4.12Å; Y63-N91 HydrophobicContact CE2-CB 4.42Å; Y63-N91 PolarHBondContact OH-OD1 3.44Å; N91-E93 PolarHBondContact O-N 3.3Å
92	G	87.4	Confident	96	Very high	60 Å²	60	29.4 Å²	29.4	62%	0.619	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-12	-178.7	0	0	0	0	0	115.4	I90	I90-G92 PolarHBondContact O-N 3.02Å
93	E	92.9	Very high	96	Very high	91 Å²	91	26 Å²	26	43%	0.425	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.8	174.2	-60.2	-167.8	156.7	0	0	110.9	W89 I90 N91 K377 N394	W89-E93 VanDerWaalsContact CA-O 3.22Å; W89-E93 WeakPolarHBondContact CA-O 3.32Å; I90-E93 PolarHBondContact N-O 3.25Å; I90-E93 PolarHBondContact O-N 2.78Å; N91-E93 PolarHBondContact O-N 3.3Å; E93-K377 IonicContact OE1-NZ 3.36Å; E93-K377 IonicContact OE2-NZ 3.6Å; E93-K377 PolarHBondContact OE2-NZ 3.34Å; E93-K377 VanDerWaalsContact OE2-NZ 3.16Å; E93-N394 PolarHBondContact OE2-ND2 3.32Å
94	E	94.9	Very high	96.1	Very high	64 Å²	64	24.4 Å²	24.4	30%	0.299	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	128	173.7	-176.6	165.2	-126.3	0	0	110.7	R87 N394	R87-E94 HydrophobicContact CG-CG 3.76Å; R87-E94 WeakPolarHBondContact CG-OE1 3.42Å; R87-E94 IonicContact NH1-OE1 3.34Å; R87-E94 PolarHBondContact NH1-OE1 3.09Å; E94-N394 PolarHBondContact O-N 3.47Å
95	T	98.1	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128	179.4	-55.7	0	0	0	0	109.8	V88 I90 F117 N394 I396	V88-T95 HydrophobicContact CG2-CG2 4.34Å; V88-T95 WeakPolarHBondContact CG2-O 3.21Å; V88-T95 PolarHBondContact N-O 3.37Å; V88-T95 PolarHBondContact O-N 3.16Å; V88-T95 VanDerWaalsContact O-O 3.12Å; I90-T95 HydrophobicContact CD1-CG2 4.11Å; T95-F117 HydrophobicContact CG2-CZ 4Å; T95-N394 CarbonylContact C-O 3.5Å; T95-N394 VanDerWaalsContact CA-O 3.27Å; T95-N394 WeakPolarHBondContact CA-O 3.27Å; T95-N394 HydrophobicContact CG2-CB 3.87Å; T95-N394 WeakPolarHBondContact OG1-CB 3.15Å; T95-I396 HydrophobicContact CG2-CD1 3.94Å; T95-I396 HydrophobicContact CG2-CG1 4.06Å
96	L	98.3	Very high	96.3	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.2	172.4	-60.6	-178.6	0	0	0	110.5	I48 V86 R87 L98 I389 T393 N394 I395 I396	I48-L96 HydrophobicContact CD1-CD2 4.18Å; I48-L96 HydrophobicContact CG2-CD2 4.07Å; V86-L96 CarbonylContact O-C 3.52Å; V86-L96 VanDerWaalsContact O-CA 3.32Å; V86-L96 WeakPolarHBondContact O-CA 3.49Å; R87-L96 HydrophobicContact CB-CD2 3.83Å; R87-L96 HydrophobicContact CG-CD2 4.09Å; L96-L98 HydrophobicContact CB-CD2 4.19Å; L96-I389 HydrophobicContact CD1-CD1 3.93Å; L96-I389 HydrophobicContact CD1-CG1 3.91Å; L96-T393 HydrophobicContact CD1-CG2 4.05Å; L96-T393 HydrophobicContact CG-CG2 3.84Å; L96-N394 PolarHBondContact N-O 3.17Å; L96-I395 CarbonylContact O-C 3.41Å; L96-I395 VanDerWaalsContact O-CA 3.28Å; L96-I395 WeakPolarHBondContact O-CA 3.27Å; L96-I396 PolarHBondContact O-N 3.48Å
97	I	98.6	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.6	173.5	-43.4	179.9	0	0	0	108	F66 Y78 N79 V86 V88 I396 N398	F66-I97 HydrophobicContact CZ-CD1 3.83Å; Y78-I97 HydrophobicContact CD2-CD1 4.09Å; Y78-I97 HydrophobicContact CG-CD1 4.28Å; N79-I97 PolarHBondContact ND2-O 2.94Å; N79-I97 WeakPolarHBondContact OD1-CG2 3.49Å; V86-I97 PolarHBondContact N-O 2.86Å; V86-I97 PolarHBondContact O-N 3.34Å; V88-I97 HydrophobicContact CG1-CD1 3.94Å; V88-I97 HydrophobicContact CG2-CD1 3.88Å; V88-I97 HydrophobicContact CG2-CG1 3.96Å; I97-I396 CarbonylContact C-O 3.48Å; I97-I396 VanDerWaalsContact CA-O 3.32Å; I97-I396 WeakPolarHBondContact CA-O 3.33Å; I97-I396 HydrophobicContact CG2-CB 4.3Å; I97-I396 HydrophobicContact CG2-CG2 4.26Å; I97-N398 HydrophobicContact CG2-CB 4.33Å
98	L	98.3	Very high	96.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	-174.3	-47.7	-179.7	0	0	0	109.6	S84 I85 L96 A103 V104 V107 I395 I396 L397 N398	S84-L98 CarbonylContact O-C 3.47Å; S84-L98 WeakPolarHBondContact O-CA 3.43Å; I85-L98 HydrophobicContact CB-CD2 4.12Å; I85-L98 HydrophobicContact CG1-CD2 3.96Å; I85-L98 HydrophobicContact CG2-CD2 3.68Å; L96-L98 HydrophobicContact CB-CD2 4.19Å; L98-A103 HydrophobicContact CD1-CB 4.37Å; L98-V104 HydrophobicContact CB-CG2 4.34Å; L98-V107 HydrophobicContact CD1-CG2 3.85Å; L98-I395 HydrophobicContact CD1-CG2 3.75Å; L98-I395 HydrophobicContact CG-CG2 4.06Å; L98-I396 PolarHBondContact N-O 3.33Å; L98-L397 HydrophobicContact CB-CD2 3.95Å; L98-L397 HydrophobicContact CD1-CD2 3.83Å; L98-L397 HydrophobicContact CG-CD2 4.23Å; L98-L397 CarbonylContact O-C 3.5Å; L98-L397 WeakPolarHBondContact O-CA 3.31Å; L98-N398 PolarHBondContact O-N 2.9Å
99	S	97.8	Very high	96.4	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	17%	0.165	C	C	.	.			trans	-115.7	-9.4	172.5	66.2	0	0	0	0	113.5	S84 M402	S84-S99 WeakPolarHBondContact CA-OG 3.33Å; S84-S99 WeakPolarHBondContact CB-OG 3.27Å; S84-S99 PolarHBondContact O-N 3.11Å; S99-M402 WeakPolarHBondContact O-CA 3.41Å; S99-M402 WeakPolarHBondContact O-CB 3.14Å; S99-M402 WeakPolarHBondContact O-CG 3.41Å
100	R	97.1	Very high	96.4	Very high	92 Å²	92	33.9 Å²	33.9	35%	0.347	17%	0.172	S	C	.	.			trans	-72.8	128.8	177.7	-167.7	179.6	-69.7	158.7	-3	110.9	S84 S102 A103 V104 E385 E406	S84-R100 VanDerWaalsContact OG-CZ 3.27Å; S84-R100 PolarHBondContact OG-NE 2.95Å; S84-R100 VanDerWaalsContact OG-NE 3.15Å; S84-R100 PolarHBondContact OG-NH2 3.04Å; R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 VanDerWaalsContact CD-OG 3.31Å; R100-S102 WeakPolarHBondContact CD-OG 3.49Å; R100-S102 WeakPolarHBondContact CG-OG 3.37Å; R100-S102 PolarHBondContact O-N 3.4Å; R100-A103 HydrophobicContact CB-CB 4.34Å; R100-A103 PolarHBondContact O-N 2.94Å; R100-V104 WeakPolarHBondContact O-CB 3.21Å; R100-V104 VanDerWaalsContact O-CG2 3.28Å; R100-V104 WeakPolarHBondContact O-CG2 3.5Å; R100-V104 PolarHBondContact O-N 3.21Å; R100-E385 VanDerWaalsContact CD-OE2 3.31Å; R100-E385 WeakPolarHBondContact CD-OE2 3.38Å; R100-E385 IonicContact CZ-OE2 2.92Å; R100-E385 IonicContact NE-OE2 3.87Å; R100-E385 IonicContact NH1-OE2 2.67Å; R100-E385 PolarHBondContact NH1-OE2 2.85Å; R100-E406 WeakPolarHBondContact CA-OE1 3.43Å; R100-E406 WeakPolarHBondContact CG-OE1 3.36Å
101	S	97.4	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-40.9	-176.2	178.2	0	0	0	0	112.9	Y105 E406 R426 F427	S101-Y105 WeakPolarHBondContact O-CB 3.3Å; S101-Y105 PolarHBondContact O-N 3.43Å; S101-E406 WeakPolarHBondContact CB-OE2 3.34Å; S101-E406 PolarHBondContact N-OE1 2.76Å; S101-R426 PolarHBondContact OG-O 3.35Å; S101-F427 WeakPolarHBondContact OG-CD1 3.32Å
102	S	96.9	Very high	96.7	Very high	28 Å²	28	37 Å²	37	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-46.2	177.8	48.3	0	0	0	0	112.9	R100 H106 E385 R426	R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 VanDerWaalsContact CD-OG 3.31Å; R100-S102 WeakPolarHBondContact CD-OG 3.49Å; R100-S102 WeakPolarHBondContact CG-OG 3.37Å; R100-S102 PolarHBondContact O-N 3.4Å; S102-H106 PolarHBondContact O-N 2.98Å; S102-H106 VanDerWaalsContact O-N 3.11Å; S102-E385 WeakPolarHBondContact CB-OE1 3.22Å; S102-E385 PolarHBondContact OG-OE1 3.3Å; S102-R426 VanDerWaalsContact CB-NH2 3.35Å
103	A	97.4	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-44.4	176.7	0	0	0	0	0	112.2	I85 L98 R100 Y105 H106 V107 I384 E385	I85-A103 HydrophobicContact CD1-CB 4.38Å; L98-A103 HydrophobicContact CD1-CB 4.37Å; R100-A103 HydrophobicContact CB-CB 4.34Å; R100-A103 PolarHBondContact O-N 2.94Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.48Å; A103-H106 WeakPolarHBondContact O-CB 3.39Å; A103-H106 PolarHBondContact O-N 3.25Å; A103-V107 WeakPolarHBondContact O-CG2 3.21Å; A103-V107 PolarHBondContact O-N 3.39Å; A103-V107 VanDerWaalsContact O-N 3.12Å; A103-I384 HydrophobicContact CB-CG2 3.7Å; A103-E385 PolarHBondContact N-OE1 2.67Å; A103-E385 VanDerWaalsContact N-OE1 3.17Å
104	V	97.9	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-47.1	176.2	168.8	0	0	0	0	110.5	L98 R100 H106 V107 L108 L397 I399 M402	L98-V104 HydrophobicContact CB-CG2 4.34Å; R100-V104 WeakPolarHBondContact O-CB 3.21Å; R100-V104 VanDerWaalsContact O-CG2 3.28Å; R100-V104 WeakPolarHBondContact O-CG2 3.5Å; R100-V104 PolarHBondContact O-N 3.21Å; V104-H106 PolarHBondContact O-N 2.86Å; V104-V107 PolarHBondContact O-N 2.75Å; V104-L108 HydrophobicContact CG1-CD1 3.79Å; V104-L108 HydrophobicContact CG1-CG 4.28Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 2.87Å; V104-L397 HydrophobicContact CG1-CB 4.38Å; V104-L397 HydrophobicContact CG1-CD1 4.34Å; V104-L397 HydrophobicContact CG2-CB 4.35Å; V104-L397 HydrophobicContact CG2-CD2 4.23Å; V104-I399 HydrophobicContact CG1-CG2 4.19Å; V104-M402 HydrophobicContact CB-SD 3.75Å; V104-M402 HydrophobicContact CG1-CE 4.46Å; V104-M402 HydrophobicContact CG1-SD 3.62Å; V104-M402 HydrophobicContact CG2-SD 4Å
105	Y	97.5	Very high	97.6	Very high	43 Å²	43	27.3 Å²	27.3	17%	0.169	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-36.1	-179	-169.1	-109.9	0	0	0	113	S101 A103 R109 R426	S101-Y105 WeakPolarHBondContact O-CB 3.3Å; S101-Y105 PolarHBondContact O-N 3.43Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.48Å; Y105-R109 HydrophobicContact CE1-CG 4.33Å; Y105-R109 HydrophobicContact CE2-CG 4.31Å; Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 WeakPolarHBondContact O-CG 3.47Å; Y105-R109 PolarHBondContact O-N 3.45Å; Y105-R109 VanDerWaalsContact O-N 3.14Å; Y105-R109 WeakPolarHBondContact OH-CD 3.21Å; Y105-R109 PolarHBondContact OH-NH1 2.93Å; Y105-R426 HydrophobicContact CD1-CB 4.48Å; Y105-R426 HydrophobicContact CD1-CG 3.93Å; Y105-R426 HydrophobicContact CD2-CB 4.13Å; Y105-R426 HydrophobicContact CD2-CG 4.05Å; Y105-R426 HydrophobicContact CE1-CG 4.44Å; Y105-R426 HydrophobicContact CE2-CB 4.24Å; Y105-R426 HydrophobicContact CG-CB 4.25Å; Y105-R426 HydrophobicContact CG-CG 3.69Å
106	H	97.9	Very high	97.6	Very high	69 Å²	69	29.5 Å²	29.5	32%	0.319	14%	0.142	S	C	.	.	H	α-helix	trans	-57.6	-52.4	172.1	-176.6	109	0	0	0	111.1	S102 A103 V104 L108 R109 S110 Y113 D382	S102-H106 PolarHBondContact O-N 2.98Å; S102-H106 VanDerWaalsContact O-N 3.11Å; A103-H106 WeakPolarHBondContact O-CB 3.39Å; A103-H106 PolarHBondContact O-N 3.25Å; V104-H106 PolarHBondContact O-N 2.86Å; H106-L108 PolarHBondContact O-N 2.91Å; H106-R109 PolarHBondContact O-N 2.88Å; H106-S110 WeakPolarHBondContact O-CB 3.31Å; H106-S110 PolarHBondContact O-N 3.34Å; H106-S110 VanDerWaalsContact O-N 3.15Å; H106-Y113 AromaticContact CD2-CE2 3.99Å; H106-D382 IonicContact CD2-OD2 2.66Å; H106-D382 IonicContact CE1-OD2 3.66Å; H106-D382 IonicContact NE2-OD1 2.96Å; H106-D382 IonicContact NE2-OD2 3.92Å; H106-D382 PolarHBondContact NE2-OD2 3.27Å
107	V	98.3	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-44	-179.6	176.6	0	0	0	0	111.6	L98 A103 V104 R109 Y113 R376 I384 I395 L397	L98-V107 HydrophobicContact CD1-CG2 3.85Å; A103-V107 WeakPolarHBondContact O-CG2 3.21Å; A103-V107 PolarHBondContact O-N 3.39Å; A103-V107 VanDerWaalsContact O-N 3.12Å; V104-V107 PolarHBondContact O-N 2.75Å; V107-R109 VanDerWaalsContact C-N 3.35Å; V107-R109 PolarHBondContact O-N 3.27Å; V107-Y113 HydrophobicContact CB-CD2 4.2Å; V107-Y113 HydrophobicContact CB-CG 4.35Å; V107-Y113 HydrophobicContact CG1-CD1 4.12Å; V107-Y113 HydrophobicContact CG1-CD2 3.98Å; V107-Y113 HydrophobicContact CG1-CG 3.64Å; V107-Y113 HydrophobicContact CG2-CD2 4.36Å; V107-Y113 HydrophobicContact CG2-CE2 4.29Å; V107-Y113 WeakPolarHBondContact O-CB 3.25Å; V107-R376 HydrophobicContact CG1-CB 4.17Å; V107-R376 HydrophobicContact CG1-CG 4.04Å; V107-I384 HydrophobicContact CG2-CD1 3.42Å; V107-I384 VanDerWaalsContact CG2-CD1 3.42Å; V107-I395 HydrophobicContact CG1-CD1 4.37Å; V107-I395 HydrophobicContact CG1-CG2 4.46Å; V107-I395 HydrophobicContact CG2-CD1 4.23Å; V107-L397 HydrophobicContact CB-CD1 4.09Å; V107-L397 HydrophobicContact CB-CD2 4.01Å; V107-L397 HydrophobicContact CG1-CD1 3.8Å; V107-L397 HydrophobicContact CG1-CD2 4.02Å; V107-L397 HydrophobicContact CG1-CG 4.32Å; V107-L397 HydrophobicContact CG2-CD2 4.2Å
108	L	97.8	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-38.2	-177.6	-71.9	176	0	0	0	112.7	V104 H106 T374 L397 Q429 C433	V104-L108 HydrophobicContact CG1-CD1 3.79Å; V104-L108 HydrophobicContact CG1-CG 4.28Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 2.87Å; H106-L108 PolarHBondContact O-N 2.91Å; L108-T374 HydrophobicContact CD2-CG2 4.2Å; L108-L397 HydrophobicContact CD2-CD1 3.55Å; L108-L397 HydrophobicContact CG-CD1 3.74Å; L108-Q429 HydrophobicContact CD1-CB 4.2Å; L108-Q429 HydrophobicContact CD1-CG 4.05Å; L108-C433 VanDerWaalsContact CB-SG 3.54Å; L108-C433 VanDerWaalsContact O-O 3.09Å
109	R	96.9	Very high	97.4	Very high	151 Å²	151	31.5 Å²	31.5	57%	0.57	16%	0.16	S	C	*	.	H	α-helix	trans	-80.7	-29.6	-176.7	-74.4	-171.3	61.3	179.1	-4.3	114.2	Y105 H106 V107	Y105-R109 HydrophobicContact CE1-CG 4.33Å; Y105-R109 HydrophobicContact CE2-CG 4.31Å; Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 WeakPolarHBondContact O-CG 3.47Å; Y105-R109 PolarHBondContact O-N 3.45Å; Y105-R109 VanDerWaalsContact O-N 3.14Å; Y105-R109 WeakPolarHBondContact OH-CD 3.21Å; Y105-R109 PolarHBondContact OH-NH1 2.93Å; H106-R109 PolarHBondContact O-N 2.88Å; V107-R109 VanDerWaalsContact C-N 3.35Å; V107-R109 PolarHBondContact O-N 3.27Å
110	S	96.9	Very high	97.3	Very high	25 Å²	25	37.3 Å²	37.3	18%	0.175	18%	0.184	C	C	.	.			trans	-77.1	138.8	-174.6	167	0	0	0	0	112.6	H106 H112 Y113	H106-S110 WeakPolarHBondContact O-CB 3.31Å; H106-S110 PolarHBondContact O-N 3.34Å; H106-S110 VanDerWaalsContact O-N 3.15Å; S110-H112 PolarHBondContact O-N 3.29Å; S110-H112 WeakPolarHBondContact OG-CB 3.38Å; S110-H112 PolarHBondContact OG-N 3.05Å; S110-H112 VanDerWaalsContact OG-N 3.12Å; S110-Y113 PolarHBondContact O-N 3.29Å
111	A	95.8	Very high	97.2	Very high	62 Å²	62	36.7 Å²	36.7	51%	0.512	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.3	-21.4	174.2	0	0	0	0	0	112.4	Y113 T114	A111-Y113 PolarHBondContact O-N 3.45Å; A111-T114 WeakPolarHBondContact O-CB 3.46Å; A111-T114 VanDerWaalsContact O-CG2 3.28Å; A111-T114 WeakPolarHBondContact O-CG2 3.47Å; A111-T114 PolarHBondContact O-N 3.38Å; A111-T114 PolarHBondContact O-OG1 3.08Å
112	H	97.1	Very high	97.1	Very high	81 Å²	81	36.7 Å²	36.7	38%	0.375	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-66.5	-14.8	178.6	-54.8	168.7	0	0	0	112.8	S110 L379	S110-H112 PolarHBondContact O-N 3.29Å; S110-H112 WeakPolarHBondContact OG-CB 3.38Å; S110-H112 PolarHBondContact OG-N 3.05Å; S110-H112 VanDerWaalsContact OG-N 3.12Å; H112-L379 VanDerWaalsContact O-CB 3.22Å; H112-L379 WeakPolarHBondContact O-CB 3.17Å; H112-L379 WeakPolarHBondContact O-CG 3.4Å; H112-L379 PolarHBondContact O-N 2.88Å
113	Y	98.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-116.8	29.7	-179.7	-53.3	-76.1	0	0	0	112.2	H106 V107 S110 A111 S115 R376 A378 D382 I389 I395	H106-Y113 AromaticContact CD2-CE2 3.99Å; V107-Y113 HydrophobicContact CB-CD2 4.2Å; V107-Y113 HydrophobicContact CB-CG 4.35Å; V107-Y113 HydrophobicContact CG1-CD1 4.12Å; V107-Y113 HydrophobicContact CG1-CD2 3.98Å; V107-Y113 HydrophobicContact CG1-CG 3.64Å; V107-Y113 HydrophobicContact CG2-CD2 4.36Å; V107-Y113 HydrophobicContact CG2-CE2 4.29Å; V107-Y113 WeakPolarHBondContact O-CB 3.25Å; S110-Y113 PolarHBondContact O-N 3.29Å; A111-Y113 PolarHBondContact O-N 3.45Å; Y113-S115 PolarHBondContact O-N 3.25Å; Y113-R376 VanDerWaalsContact O-CD 3.28Å; Y113-R376 WeakPolarHBondContact O-CD 3.48Å; Y113-R376 PolarHBondContact O-NH1 2.81Å; Y113-A378 HydrophobicContact CD1-CB 4.04Å; Y113-A378 HydrophobicContact CE1-CB 3.7Å; Y113-D382 WeakPolarHBondContact OH-CB 3.28Å; Y113-D382 PolarHBondContact OH-OD2 3.02Å; Y113-D382 VanDerWaalsContact OH-OD2 3.05Å; Y113-I389 HydrophobicContact CE1-CG2 4.48Å; Y113-I395 HydrophobicContact CD1-CD1 3.61Å; Y113-I395 HydrophobicContact CE1-CD1 3.49Å; Y113-I395 VanDerWaalsContact CE1-CD1 3.49Å
114	T	97.3	Very high	97.1	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.037	19%	0.194	C	C	.	.			trans	-79.9	8.2	178.8	49.5	0	0	0	0	113.5	A111 I139 W142 L379 P435 R436	A111-T114 WeakPolarHBondContact O-CB 3.46Å; A111-T114 VanDerWaalsContact O-CG2 3.28Å; A111-T114 WeakPolarHBondContact O-CG2 3.47Å; A111-T114 PolarHBondContact O-N 3.38Å; A111-T114 PolarHBondContact O-OG1 3.08Å; T114-I139 WeakPolarHBondContact O-CD1 3.31Å; T114-W142 HydrophobicContact CG2-CH2 4.49Å; T114-W142 HydrophobicContact CG2-CZ3 4.49Å; T114-L379 WeakPolarHBondContact OG1-CD1 2.99Å; T114-P435 HydrophobicContact CG2-CB 3.79Å; T114-P435 HydrophobicContact CG2-CG 3.4Å; T114-R436 WeakPolarHBondContact O-CD 3.34Å; T114-R436 PolarHBondContact O-NH1 3.49Å
115	S	97.9	Very high	97	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.035	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-105.7	164	174.3	-166.2	0	0	0	0	112.1	Y113 R376 K377	Y113-S115 PolarHBondContact O-N 3.25Å; S115-R376 CarbonylContact O-C 3.55Å; S115-R376 WeakPolarHBondContact O-CA 3.49Å; S115-K377 PolarHBondContact O-N 3.18Å
116	R	98.1	Very high	97	Very high	46 Å²	46	38.3 Å²	38.3	17%	0.174	19%	0.189	C	C	.	.			trans	-117.6	178.9	168	-60	-158	-174.8	-99.7	11.9	109.5	I134 F135 S137 T374 M375	R116-I134 WeakPolarHBondContact CD-O 3.45Å; R116-I134 PolarHBondContact NE-O 3.28Å; R116-F135 HydrophobicContact CB-CD1 3.96Å; R116-F135 HydrophobicContact CB-CE1 4.16Å; R116-S137 PolarHBondContact O-OG 2.94Å; R116-T374 PolarHBondContact NH1-OG1 2.87Å; R116-M375 WeakPolarHBondContact CG-O 3.42Å; R116-M375 PolarHBondContact NH1-O 3.43Å
117	F	97.6	Very high	96.9	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.039	18%	0.176	C	C	.	.			trans	-138.3	156.9	176.5	71.9	-82.8	0	0	0	111	I90 T95 F135 M375 R376 K377 N394 I396	I90-F117 HydrophobicContact CD1-CE2 4.25Å; I90-F117 HydrophobicContact CD1-CZ 4.43Å; T95-F117 HydrophobicContact CG2-CZ 4Å; F117-F135 VanDerWaalsContact O-CE1 3.28Å; F117-F135 WeakPolarHBondContact O-CE1 3.36Å; F117-M375 HydrophobicContact CD1-CB 4.07Å; F117-M375 HydrophobicContact CD1-CE 4.01Å; F117-M375 HydrophobicContact CD2-CE 3.81Å; F117-M375 HydrophobicContact CE1-CB 3.71Å; F117-M375 HydrophobicContact CE1-CE 3.64Å; F117-M375 HydrophobicContact CE1-CG 4Å; F117-M375 HydrophobicContact CE2-CE 3.42Å; F117-M375 VanDerWaalsContact CE2-CE 3.42Å; F117-M375 HydrophobicContact CG-CE 4.1Å; F117-M375 HydrophobicContact CZ-CB 4.46Å; F117-M375 HydrophobicContact CZ-CE 3.32Å; F117-M375 HydrophobicContact CZ-CG 4.28Å; F117-M375 VanDerWaalsContact O-CE 3.22Å; F117-M375 WeakPolarHBondContact O-CE 3.28Å; F117-R376 VanDerWaalsContact CD1-O 3.27Å; F117-R376 WeakPolarHBondContact CD1-O 3.47Å; F117-K377 HydrophobicContact CB-CB 4.43Å; F117-K377 HydrophobicContact CB-CD 4.29Å; F117-N394 WeakPolarHBondContact CB-OD1 3.11Å; F117-N394 HydrophobicContact CD1-CB 3.7Å; F117-N394 HydrophobicContact CD2-CB 3.92Å; F117-N394 VanDerWaalsContact CD2-CG 3.48Å; F117-N394 WeakPolarHBondContact CD2-ND2 3.35Å; F117-N394 HydrophobicContact CE1-CB 3.73Å; F117-N394 HydrophobicContact CE2-CB 3.95Å; F117-N394 HydrophobicContact CG-CB 3.8Å; F117-N394 WeakPolarHBondContact CG-OD1 3.3Å; F117-N394 HydrophobicContact CZ-CB 3.85Å; F117-I396 HydrophobicContact CE1-CG1 4.29Å; F117-I396 HydrophobicContact CZ-CD1 4.31Å; F117-I396 HydrophobicContact CZ-CG1 3.96Å
118	G	96.5	Very high	96.9	Very high	29 Å²	29	35.2 Å²	35.2	30%	0.299	18%	0.176	S	C	.	.			trans	177.1	171.4	178.9	0	0	0	0	0	110.1	K120 L229	G118-K120 PolarHBondContact O-N 2.87Å; G118-L229 CarbonylContact C-O 3.4Å; G118-L229 WeakPolarHBondContact CA-O 3.34Å
119	S	96.6	Very high	96.9	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.063	19%	0.188	C	C	.	.			trans	-62.1	119.1	173.3	179.1	0	0	0	0	109.6	R121 G122 L123 L229 K231 F236	S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 2.87Å; S119-G122 WeakPolarHBondContact O-CA 3.45Å; S119-G122 PolarHBondContact O-N 2.74Å; S119-G122 PolarHBondContact OG-N 2.87Å; S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 2.75Å; S119-L229 WeakPolarHBondContact CB-O 3.13Å; S119-L229 PolarHBondContact N-O 3.15Å; S119-K231 PolarHBondContact OG-O 3.32Å; S119-F236 WeakPolarHBondContact OG-CE2 3.14Å
120	K	95.6	Very high	96.8	Very high	129 Å²	129	31.9 Å²	31.9	56%	0.561	17%	0.173	S	C	*	.	H	α-helix	trans	-54.7	-46.3	178.7	-179.5	176	176.9	-176.2	0	111.4	G118 G122 L123 E124 Q129	G118-K120 PolarHBondContact O-N 2.87Å; K120-G122 VanDerWaalsContact C-N 3.33Å; K120-G122 PolarHBondContact O-N 2.92Å; K120-L123 PolarHBondContact O-N 3.45Å; K120-E124 WeakPolarHBondContact CE-OE1 3.49Å; K120-E124 WeakPolarHBondContact CG-OE1 3.4Å; K120-E124 WeakPolarHBondContact O-CB 3.26Å; K120-E124 VanDerWaalsContact O-CG 3.26Å; K120-E124 WeakPolarHBondContact O-CG 3.17Å; K120-E124 PolarHBondContact O-N 3.5Å; K120-Q129 HydrophobicContact CG-CG 4.35Å
121	R	95.3	Very high	96.8	Very high	79 Å²	79	33.7 Å²	33.7	30%	0.298	18%	0.176	S	C	.	.	H	α-helix	trans	-65.8	-35.2	177.7	-60.6	-171.8	73.9	-171.8	-4	112.2	S119 C125 D233 F236	S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 2.87Å; R121-C125 WeakPolarHBondContact O-CB 3.37Å; R121-C125 PolarHBondContact O-N 3.27Å; R121-D233 PolarHBondContact NH1-O 3.08Å; R121-F236 HydrophobicContact CB-CB 4.42Å; R121-F236 HydrophobicContact CB-CD1 3.91Å; R121-F236 HydrophobicContact CB-CD2 3.84Å; R121-F236 HydrophobicContact CB-CE1 4.08Å; R121-F236 HydrophobicContact CB-CE2 4Å; R121-F236 HydrophobicContact CB-CG 3.8Å; R121-F236 HydrophobicContact CB-CZ 4.12Å; R121-F236 VanDerWaalsContact NH1-CB 3.31Å; R121-F236 PolarHBondContact NH2-O 3.43Å
122	G	96.5	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-47.7	173.6	0	0	0	0	0	112.3	S119 K120 E124 C125 V126 V228 F236	S119-G122 WeakPolarHBondContact O-CA 3.45Å; S119-G122 PolarHBondContact O-N 2.74Å; S119-G122 PolarHBondContact OG-N 2.87Å; K120-G122 VanDerWaalsContact C-N 3.33Å; K120-G122 PolarHBondContact O-N 2.92Å; G122-E124 VanDerWaalsContact C-N 3.32Å; G122-E124 PolarHBondContact O-N 2.88Å; G122-C125 VanDerWaalsContact O-CB 3.28Å; G122-C125 WeakPolarHBondContact O-CB 3.33Å; G122-C125 PolarHBondContact O-N 3.29Å; G122-V126 PolarHBondContact O-N 2.89Å; G122-V228 WeakPolarHBondContact O-CG2 3.15Å; G122-F236 VanDerWaalsContact CA-CZ 3.47Å; G122-F236 VanDerWaalsContact N-CZ 3.31Å
123	L	97.4	Very high	96.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-32.6	177	-65.1	178.7	0	0	0	112.3	S119 K120 G127 M128 Q129 F135 L229	S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 2.75Å; K120-L123 PolarHBondContact O-N 3.45Å; L123-G127 CarbonylContact O-C 3.47Å; L123-G127 PolarHBondContact O-N 3.25Å; L123-M128 HydrophobicContact CD2-CB 4.12Å; L123-M128 PolarHBondContact O-N 3.18Å; L123-Q129 HydrophobicContact CB-CB 3.85Å; L123-Q129 PolarHBondContact O-N 3.46Å; L123-F135 HydrophobicContact CD1-CB 4.33Å; L123-F135 HydrophobicContact CD2-CB 3.66Å; L123-F135 HydrophobicContact CD2-CD1 4.11Å; L123-F135 HydrophobicContact CD2-CG 3.93Å; L123-L229 HydrophobicContact CD2-CD1 3.84Å
124	E	96.4	Very high	96.9	Very high	91 Å²	91	29.4 Å²	29.4	43%	0.425	15%	0.147	S	C	.	.	H	α-helix	trans	-64.1	-44.3	170.7	-75.5	167.4	-175.8	0	0	111.2	K120 G122 V126 G127 Q129	K120-E124 WeakPolarHBondContact CE-OE1 3.49Å; K120-E124 WeakPolarHBondContact CG-OE1 3.4Å; K120-E124 WeakPolarHBondContact O-CB 3.26Å; K120-E124 VanDerWaalsContact O-CG 3.26Å; K120-E124 WeakPolarHBondContact O-CG 3.17Å; K120-E124 PolarHBondContact O-N 3.5Å; G122-E124 VanDerWaalsContact C-N 3.32Å; G122-E124 PolarHBondContact O-N 2.88Å; E124-V126 VanDerWaalsContact C-N 3.34Å; E124-V126 PolarHBondContact O-N 3.48Å; E124-G127 PolarHBondContact O-N 2.93Å; E124-G127 VanDerWaalsContact O-N 3.16Å; E124-Q129 HydrophobicContact CB-CB 4.39Å; E124-Q129 HydrophobicContact CG-CB 3.66Å; E124-Q129 HydrophobicContact CG-CG 3.76Å
125	C	95.8	Very high	96.9	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-43.8	178.2	-178.5	0	0	0	0	112.6	R121 G122 Y242 A249	R121-C125 WeakPolarHBondContact O-CB 3.37Å; R121-C125 PolarHBondContact O-N 3.27Å; G122-C125 VanDerWaalsContact O-CB 3.28Å; G122-C125 WeakPolarHBondContact O-CB 3.33Å; G122-C125 PolarHBondContact O-N 3.29Å; C125-Y242 HydrophobicContact CB-CE2 3.92Å; C125-A249 WeakPolarHBondContact O-CB 3.37Å
126	V	96.9	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-88.2	-5	-179.8	-62.1	0	0	0	0	113.6	G122 E124 M128 Y221 T224 W225 V228 A249 Q253 Q299	G122-V126 PolarHBondContact O-N 2.89Å; E124-V126 VanDerWaalsContact C-N 3.34Å; E124-V126 PolarHBondContact O-N 3.48Å; V126-M128 HydrophobicContact CG2-CB 4.09Å; V126-M128 HydrophobicContact CG2-CG 3.92Å; V126-M128 HydrophobicContact CG2-SD 4.2Å; V126-Y221 HydrophobicContact CB-CE2 4.03Å; V126-Y221 WeakPolarHBondContact O-CE2 3.3Å; V126-Y221 PolarHBondContact O-OH 2.7Å; V126-T224 HydrophobicContact CG1-CG2 3.95Å; V126-W225 HydrophobicContact CG1-CB 4.11Å; V126-V228 HydrophobicContact CG1-CG2 4.03Å; V126-A249 HydrophobicContact CG1-CB 4.48Å; V126-Q253 VanDerWaalsContact C-NE2 3.32Å; V126-Q253 PolarHBondContact O-NE2 3.39Å; V126-Q253 VanDerWaalsContact O-NE2 3.13Å; V126-Q299 PolarHBondContact O-OE1 3.32Å
127	G	96.6	Very high	96.8	Very high	4 Å²	4	29.2 Å²	29.2	4%	0.041	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-5	178.5	0	0	0	0	0	115.2	L123 E124 Q129 R131 Q299	L123-G127 CarbonylContact O-C 3.47Å; L123-G127 PolarHBondContact O-N 3.25Å; E124-G127 PolarHBondContact O-N 2.93Å; E124-G127 VanDerWaalsContact O-N 3.16Å; G127-Q129 PolarHBondContact O-N 2.9Å; G127-R131 WeakPolarHBondContact O-CB 3.34Å; G127-R131 PolarHBondContact O-NE 2.92Å; G127-R131 PolarHBondContact O-NH2 3.43Å; G127-Q299 PolarHBondContact O-OE1 3.17Å
128	M	97.8	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.			trans	-79.7	-10.1	-177.1	-65.8	-176	-176.2	0	0	115	L123 V126 G130 R131 I134 F135 Y221 W225 I306	L123-M128 HydrophobicContact CD2-CB 4.12Å; L123-M128 PolarHBondContact O-N 3.18Å; V126-M128 HydrophobicContact CG2-CB 4.09Å; V126-M128 HydrophobicContact CG2-CG 3.92Å; V126-M128 HydrophobicContact CG2-SD 4.2Å; M128-G130 PolarHBondContact O-N 2.73Å; M128-G130 VanDerWaalsContact O-N 3.08Å; M128-R131 PolarHBondContact O-N 2.99Å; M128-I134 HydrophobicContact CE-CD1 4.32Å; M128-F135 HydrophobicContact CB-CB 4.17Å; M128-F135 HydrophobicContact SD-CB 4.1Å; M128-F135 HydrophobicContact SD-CD2 4.16Å; M128-Y221 HydrophobicContact CE-CE1 4Å; M128-Y221 WeakPolarHBondContact CE-OH 3.33Å; M128-W225 HydrophobicContact CE-CD2 4.06Å; M128-W225 HydrophobicContact CE-CE3 4.39Å; M128-W225 HydrophobicContact CE-CG 4.47Å; M128-W225 HydrophobicContact CE-CH2 4.41Å; M128-W225 HydrophobicContact CE-CZ2 4.04Å; M128-W225 HydrophobicContact SD-CZ2 4.15Å; M128-I306 HydrophobicContact CE-CD1 4.26Å
129	Q	97	Very high	96.8	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.262	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	110.5	177.6	-179.2	64	9.1	0	0	110.6	K120 L123 E124 G127 R131	K120-Q129 HydrophobicContact CG-CG 4.35Å; L123-Q129 HydrophobicContact CB-CB 3.85Å; L123-Q129 PolarHBondContact O-N 3.46Å; E124-Q129 HydrophobicContact CB-CB 4.39Å; E124-Q129 HydrophobicContact CG-CB 3.66Å; E124-Q129 HydrophobicContact CG-CG 3.76Å; G127-Q129 PolarHBondContact O-N 2.9Å; Q129-R131 PolarHBondContact O-N 2.9Å
130	G	95.6	Very high	96.8	Very high	25 Å²	25	36.5 Å²	36.5	26%	0.258	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	19	178.3	0	0	0	0	0	114.3	M128 N136 L141	M128-G130 PolarHBondContact O-N 2.73Å; M128-G130 VanDerWaalsContact O-N 3.08Å; G130-N136 WeakPolarHBondContact CA-OD1 3.35Å; G130-L141 WeakPolarHBondContact O-CD2 3.46Å
131	R	97.4	Very high	96.9	Very high	64 Å²	64	32.5 Å²	32.5	24%	0.242	17%	0.173	C	C	.	.	S	Bend	trans	-141.2	161	-179.2	-69.3	178.6	-69.3	-108.3	-7.8	110.6	G127 M128 Q129 N136 N296 Q299	G127-R131 WeakPolarHBondContact O-CB 3.34Å; G127-R131 PolarHBondContact O-NE 2.92Å; G127-R131 PolarHBondContact O-NH2 3.43Å; M128-R131 PolarHBondContact O-N 2.99Å; Q129-R131 PolarHBondContact O-N 2.9Å; R131-N136 WeakPolarHBondContact O-CB 3.37Å; R131-N296 VanDerWaalsContact CA-OD1 3.28Å; R131-N296 WeakPolarHBondContact CA-OD1 3.25Å; R131-N296 HydrophobicContact CG-CB 4.42Å; R131-Q299 HydrophobicContact CB-CB 3.99Å; R131-Q299 HydrophobicContact CB-CG 3.88Å
132	G	97.4	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	65.2	-152.5	-177.1	0	0	0	0	0	112.2	N136 N296	G132-N136 WeakPolarHBondContact O-CB 3.28Å; G132-N136 PolarHBondContact O-ND2 3.09Å; G132-N296 PolarHBondContact N-OD1 3.24Å
133	I	98	Very high	97	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	19%	0.187	C	C	.	.	S	Bend	trans	-131.6	-24.7	-178.8	63.2	161.2	0	0	0	114.7	W142 V145 R146 F149 E303 R436 V439	I133-W142 PolarHBondContact O-NE1 3.5Å; I133-V145 HydrophobicContact CG2-CB 3.93Å; I133-V145 HydrophobicContact CG2-CG1 3.52Å; I133-R146 HydrophobicContact CG2-CB 4.28Å; I133-F149 HydrophobicContact CB-CE2 4.45Å; I133-F149 HydrophobicContact CD1-CB 3.98Å; I133-F149 HydrophobicContact CD1-CD1 3.6Å; I133-F149 HydrophobicContact CD1-CD2 3.73Å; I133-F149 HydrophobicContact CD1-CE1 3.91Å; I133-F149 HydrophobicContact CD1-CE2 4.02Å; I133-F149 HydrophobicContact CD1-CG 3.5Å; I133-F149 VanDerWaalsContact CD1-CG 3.5Å; I133-F149 HydrophobicContact CD1-CZ 4.1Å; I133-F149 HydrophobicContact CG1-CD1 4.3Å; I133-F149 HydrophobicContact CG1-CD2 4.05Å; I133-F149 HydrophobicContact CG1-CE1 4.12Å; I133-F149 HydrophobicContact CG1-CE2 3.86Å; I133-F149 HydrophobicContact CG1-CG 4.26Å; I133-F149 HydrophobicContact CG1-CZ 3.89Å; I133-F149 HydrophobicContact CG2-CD2 3.81Å; I133-F149 HydrophobicContact CG2-CE2 3.79Å; I133-E303 PolarHBondContact N-OE2 3.25Å; I133-R436 PolarHBondContact O-NH2 3.03Å; I133-V439 HydrophobicContact CD1-CG1 3.82Å
134	I	97.3	Very high	97	Very high	41 Å²	41	38.7 Å²	38.7	21%	0.21	20%	0.202	C	C	.	.	S	Bend	trans	-63.9	-59.5	-170.3	-60.3	173.5	0	0	0	109.8	R116 M128 W225 E303 R436	R116-I134 WeakPolarHBondContact CD-O 3.45Å; R116-I134 PolarHBondContact NE-O 3.28Å; M128-I134 HydrophobicContact CE-CD1 4.32Å; I134-W225 HydrophobicContact CG2-CH2 3.92Å; I134-W225 HydrophobicContact CG2-CZ2 3.76Å; I134-E303 HydrophobicContact CD1-CB 3.93Å; I134-E303 HydrophobicContact CD1-CG 3.71Å; I134-E303 HydrophobicContact CG1-CB 4.36Å; I134-E303 HydrophobicContact CG1-CG 4.12Å; I134-E303 WeakPolarHBondContact CG1-OE2 3.34Å; I134-E303 PolarHBondContact N-OE2 2.9Å; I134-R436 PolarHBondContact O-NH2 3.33Å
135	F	98	Very high	97.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	18%	0.182	C	C	.	.	S	Bend	trans	-110.4	9.3	177.9	-87.6	-92.7	0	0	0	114.5	R116 F117 L123 M128 S137 W225 L229 M375	R116-F135 HydrophobicContact CB-CD1 3.96Å; R116-F135 HydrophobicContact CB-CE1 4.16Å; F117-F135 VanDerWaalsContact O-CE1 3.28Å; F117-F135 WeakPolarHBondContact O-CE1 3.36Å; L123-F135 HydrophobicContact CD1-CB 4.33Å; L123-F135 HydrophobicContact CD2-CB 3.66Å; L123-F135 HydrophobicContact CD2-CD1 4.11Å; L123-F135 HydrophobicContact CD2-CG 3.93Å; M128-F135 HydrophobicContact CB-CB 4.17Å; M128-F135 HydrophobicContact SD-CB 4.1Å; M128-F135 HydrophobicContact SD-CD2 4.16Å; F135-S137 PolarHBondContact O-N 3.41Å; F135-S137 VanDerWaalsContact O-N 3.08Å; F135-S137 PolarHBondContact O-OG 3.48Å; F135-W225 AromaticContact CD2-CE2 3.97Å; F135-W225 AromaticContact CD2-CZ2 3.57Å; F135-W225 HydrophobicContact CD2-CZ2 3.57Å; F135-W225 AromaticContact CD2-NE1 3.76Å; F135-W225 AromaticContact CE2-CE2 3.89Å; F135-W225 AromaticContact CE2-CZ2 3.39Å; F135-W225 HydrophobicContact CE2-CZ2 3.39Å; F135-W225 AromaticContact CE2-NE1 3.8Å; F135-L229 HydrophobicContact CD1-CD1 3.91Å; F135-L229 HydrophobicContact CE1-CD1 3.6Å; F135-L229 HydrophobicContact CE1-CD2 4.17Å; F135-L229 HydrophobicContact CE1-CG 4.46Å; F135-L229 HydrophobicContact CE2-CD1 4.47Å; F135-L229 HydrophobicContact CG-CD1 4.45Å; F135-L229 HydrophobicContact CZ-CD1 3.92Å; F135-L229 HydrophobicContact CZ-CD2 3.81Å; F135-M375 HydrophobicContact CE1-CE 4.31Å; F135-M375 HydrophobicContact CE1-SD 3.95Å; F135-M375 HydrophobicContact CZ-SD 3.79Å
136	N	97.8	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.			trans	-60.9	115.6	177.9	-167	-9.6	0	0	0	111.7	G130 R131 G132 D138 W142 R436	G130-N136 WeakPolarHBondContact CA-OD1 3.35Å; R131-N136 WeakPolarHBondContact O-CB 3.37Å; G132-N136 WeakPolarHBondContact O-CB 3.28Å; G132-N136 PolarHBondContact O-ND2 3.09Å; N136-D138 WeakPolarHBondContact OD1-CB 3.32Å; N136-D138 PolarHBondContact OD1-N 3.22Å; N136-W142 HydrophobicContact CB-CB 4.32Å; N136-R436 VanDerWaalsContact O-CZ 3.31Å; N136-R436 PolarHBondContact O-NH1 3.37Å; N136-R436 PolarHBondContact O-NH2 3.24Å
137	S	95.3	Very high	97.2	Very high	45 Å²	45	39.4 Å²	39.4	32%	0.315	21%	0.209	S	C	.	.			trans	-100.1	-3	-178.1	-58.5	0	0	0	0	112.9	R116 F135 I139	R116-S137 PolarHBondContact O-OG 2.94Å; F135-S137 PolarHBondContact O-N 3.41Å; F135-S137 VanDerWaalsContact O-N 3.08Å; F135-S137 PolarHBondContact O-OG 3.48Å; S137-I139 PolarHBondContact O-N 2.87Å
138	D	96.8	Very high	97.2	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	21%	0.213	S	C	.	.			trans	-76.5	101.4	165.4	-178	-27.6	0	0	0	108.3	N136 P140 L141 W142	N136-D138 WeakPolarHBondContact OD1-CB 3.32Å; N136-D138 PolarHBondContact OD1-N 3.22Å; D138-P140 VanDerWaalsContact OD1-CD 3.22Å; D138-P140 WeakPolarHBondContact OD1-CD 3.46Å; D138-L141 HydrophobicContact CB-CB 4.05Å; D138-L141 PolarHBondContact O-N 3.2Å; D138-L141 PolarHBondContact OD1-N 3.22Å; D138-W142 WeakPolarHBondContact O-CB 3.49Å; D138-W142 PolarHBondContact O-N 2.67Å
139	I	96.6	Very high	97.1	Very high	26 Å²	26	40.9 Å²	40.9	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-45.4	-172.2	-58	-57.1	0	0	0	113	T114 S137 W142 K143 L379	T114-I139 WeakPolarHBondContact O-CD1 3.31Å; S137-I139 PolarHBondContact O-N 2.87Å; I139-W142 HydrophobicContact CG2-CE3 4.48Å; I139-W142 PolarHBondContact O-N 2.85Å; I139-K143 HydrophobicContact CG2-CD 4.32Å; I139-K143 HydrophobicContact CG2-CG 4.42Å; I139-K143 WeakPolarHBondContact O-CB 3.39Å; I139-K143 WeakPolarHBondContact O-CG 3.15Å; I139-K143 PolarHBondContact O-N 2.97Å; I139-L379 HydrophobicContact CD1-CD1 4.31Å; I139-L379 HydrophobicContact CG1-CD1 4.06Å; I139-L379 HydrophobicContact CG1-CD2 4.44Å
140	P	97	Very high	96.9	Very high	101 Å²	101	40 Å²	40	66%	0.656	21%	0.214	S	C	*	.	H	α-helix	trans	-54.1	-50.1	171.8	-28.1	34.7	0	0	0	113.2	D138 K143 K144	D138-P140 VanDerWaalsContact OD1-CD 3.22Å; D138-P140 WeakPolarHBondContact OD1-CD 3.46Å; P140-K143 PolarHBondContact O-N 3.41Å; P140-K144 PolarHBondContact O-N 3.49Å
141	L	97.4	Very high	96.8	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-44.7	180	-178.3	61.5	0	0	0	111.4	G130 D138 K143 K144 V145	G130-L141 WeakPolarHBondContact O-CD2 3.46Å; D138-L141 HydrophobicContact CB-CB 4.05Å; D138-L141 PolarHBondContact O-N 3.2Å; D138-L141 PolarHBondContact OD1-N 3.22Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.88Å; L141-K144 PolarHBondContact O-N 2.85Å; L141-K144 VanDerWaalsContact O-N 3.14Å; L141-V145 HydrophobicContact CD1-CG2 3.74Å; L141-V145 HydrophobicContact CG-CG2 4.01Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.22Å; L141-V145 PolarHBondContact O-N 2.85Å
142	W	98.1	Very high	96.5	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-44.4	176.5	168.5	82.3	0	0	0	111.8	T114 I133 N136 D138 I139 K144 V145 R146 P435 R436	T114-W142 HydrophobicContact CG2-CH2 4.49Å; T114-W142 HydrophobicContact CG2-CZ3 4.49Å; I133-W142 PolarHBondContact O-NE1 3.5Å; N136-W142 HydrophobicContact CB-CB 4.32Å; D138-W142 WeakPolarHBondContact O-CB 3.49Å; D138-W142 PolarHBondContact O-N 2.67Å; I139-W142 HydrophobicContact CG2-CE3 4.48Å; I139-W142 PolarHBondContact O-N 2.85Å; W142-K144 PolarHBondContact O-N 3.38Å; W142-V145 PolarHBondContact O-N 3.47Å; W142-R146 WeakPolarHBondContact O-CB 3.5Å; W142-R146 PolarHBondContact O-N 3.32Å; W142-P435 WeakPolarHBondContact CH2-O 2.98Å; W142-R436 HydrophobicContact CH2-CB 3.92Å; W142-R436 HydrophobicContact CH2-CG 4.24Å; W142-R436 HydrophobicContact CZ2-CB 3.63Å; W142-R436 HydrophobicContact CZ2-CG 3.48Å; W142-R436 VanDerWaalsContact CZ2-CG 3.48Å
143	K	97.4	Very high	96.2	Very high	127 Å²	127	43.2 Å²	43.2	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-59.6	-46	176.8	-78.6	179.1	-178.2	177.7	0	111.2	I139 P140 L141	I139-K143 HydrophobicContact CG2-CD 4.32Å; I139-K143 HydrophobicContact CG2-CG 4.42Å; I139-K143 WeakPolarHBondContact O-CB 3.39Å; I139-K143 WeakPolarHBondContact O-CG 3.15Å; I139-K143 PolarHBondContact O-N 2.97Å; P140-K143 PolarHBondContact O-N 3.41Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 2.88Å
144	K	97.2	Very high	95.5	Very high	78 Å²	78	45.7 Å²	45.7	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-53.9	178	-175	179.8	-177.6	179.8	0	111.2	P140 L141 W142 R146 T147 E291	P140-K144 PolarHBondContact O-N 3.49Å; L141-K144 PolarHBondContact O-N 2.85Å; L141-K144 VanDerWaalsContact O-N 3.14Å; W142-K144 PolarHBondContact O-N 3.38Å; K144-R146 VanDerWaalsContact C-N 3.29Å; K144-R146 PolarHBondContact O-N 2.98Å; K144-T147 PolarHBondContact O-N 2.98Å; K144-T147 PolarHBondContact O-OG1 3.04Å; K144-E291 WeakPolarHBondContact CE-OE2 3.36Å; K144-E291 VanDerWaalsContact NZ-CB 3.28Å; K144-E291 PolarHBondContact NZ-O 3.03Å; K144-E291 IonicContact NZ-OE2 3.91Å; K144-E291 PolarHBondContact NZ-OE2 3.35Å
145	V	97.9	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-36.4	-176.1	178.4	0	0	0	0	111.6	I133 L141 W142 T147 Y148 F149 L292 N296 C300	I133-V145 HydrophobicContact CG2-CB 3.93Å; I133-V145 HydrophobicContact CG2-CG1 3.52Å; L141-V145 HydrophobicContact CD1-CG2 3.74Å; L141-V145 HydrophobicContact CG-CG2 4.01Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.22Å; L141-V145 PolarHBondContact O-N 2.85Å; W142-V145 PolarHBondContact O-N 3.47Å; V145-T147 PolarHBondContact O-N 3.27Å; V145-Y148 PolarHBondContact O-N 3.27Å; V145-F149 HydrophobicContact CG1-CD2 4.18Å; V145-F149 HydrophobicContact CG1-CE2 3.88Å; V145-L292 HydrophobicContact CG2-CD2 3.91Å; V145-N296 VanDerWaalsContact CG2-ND2 3.29Å; V145-N296 WeakPolarHBondContact CG2-ND2 3.42Å; V145-C300 WeakPolarHBondContact CG1-SG 3.47Å
146	R	97.6	Very high	93.1	Very high	33 Å²	33	49.1 Å²	49.1	13%	0.125	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-24.8	179.2	179.9	172.8	178.5	89.7	-0.9	113.7	I133 W142 K144 F149 S150 P435 S437	I133-R146 HydrophobicContact CG2-CB 4.28Å; W142-R146 WeakPolarHBondContact O-CB 3.5Å; W142-R146 PolarHBondContact O-N 3.32Å; K144-R146 VanDerWaalsContact C-N 3.29Å; K144-R146 PolarHBondContact O-N 2.98Å; R146-F149 PolarHBondContact O-N 3.39Å; R146-S150 WeakPolarHBondContact O-CB 3.34Å; R146-S150 PolarHBondContact O-N 2.77Å; R146-S150 PolarHBondContact O-OG 2.64Å; R146-P435 PolarHBondContact NE-O 2.94Å; R146-P435 PolarHBondContact NH2-O 3.23Å; R146-S437 PolarHBondContact NH1-O 3.4Å; R146-S437 VanDerWaalsContact NH1-O 3.08Å; R146-S437 PolarHBondContact NH2-O 3.33Å
147	T	96.6	Very high	91.6	Very high	84 Å²	84	49.9 Å²	49.9	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-40.3	178.1	65.5	0	0	0	0	111.4	K144 V145 S150 K151	K144-T147 PolarHBondContact O-N 2.98Å; K144-T147 PolarHBondContact O-OG1 3.04Å; V145-T147 PolarHBondContact O-N 3.27Å; T147-S150 PolarHBondContact O-N 3.11Å; T147-K151 WeakPolarHBondContact O-CB 3.45Å; T147-K151 PolarHBondContact O-N 3.16Å
148	Y	96.1	Very high	90.3	Very high	29 Å²	29	50.2 Å²	50.2	11%	0.114	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-46.1	175.6	-63.3	-81.4	0	0	0	111.7	V145 S150 K151 A152 E282 L283 A286 E291 L292	V145-Y148 PolarHBondContact O-N 3.27Å; Y148-S150 VanDerWaalsContact C-N 3.34Å; Y148-S150 PolarHBondContact O-N 3.26Å; Y148-K151 PolarHBondContact O-N 3.48Å; Y148-A152 WeakPolarHBondContact O-CB 3.44Å; Y148-A152 PolarHBondContact O-N 3.31Å; Y148-E282 HydrophobicContact CD1-CB 4.39Å; Y148-L283 HydrophobicContact CD1-CD2 4.18Å; Y148-L283 HydrophobicContact CD2-CD2 4.15Å; Y148-L283 HydrophobicContact CG-CD2 3.83Å; Y148-A286 HydrophobicContact CE1-CB 3.94Å; Y148-A286 VanDerWaalsContact OH-CB 3.27Å; Y148-A286 WeakPolarHBondContact OH-CB 3.43Å; Y148-E291 PolarHBondContact OH-OE2 3.43Å; Y148-L292 HydrophobicContact CD2-CD1 4.3Å; Y148-L292 HydrophobicContact CE2-CD1 3.95Å; Y148-L292 HydrophobicContact CE2-CG 4.44Å
149	F	96.2	Very high	89.1	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-43.8	175.1	-79	-97.6	0	0	0	111.7	I133 V145 R146 K151 A152 L153 F279 C300 E303 M304 V439	I133-F149 HydrophobicContact CB-CE2 4.45Å; I133-F149 HydrophobicContact CD1-CB 3.98Å; I133-F149 HydrophobicContact CD1-CD1 3.6Å; I133-F149 HydrophobicContact CD1-CD2 3.73Å; I133-F149 HydrophobicContact CD1-CE1 3.91Å; I133-F149 HydrophobicContact CD1-CE2 4.02Å; I133-F149 HydrophobicContact CD1-CG 3.5Å; I133-F149 VanDerWaalsContact CD1-CG 3.5Å; I133-F149 HydrophobicContact CD1-CZ 4.1Å; I133-F149 HydrophobicContact CG1-CD1 4.3Å; I133-F149 HydrophobicContact CG1-CD2 4.05Å; I133-F149 HydrophobicContact CG1-CE1 4.12Å; I133-F149 HydrophobicContact CG1-CE2 3.86Å; I133-F149 HydrophobicContact CG1-CG 4.26Å; I133-F149 HydrophobicContact CG1-CZ 3.89Å; I133-F149 HydrophobicContact CG2-CD2 3.81Å; I133-F149 HydrophobicContact CG2-CE2 3.79Å; V145-F149 HydrophobicContact CG1-CD2 4.18Å; V145-F149 HydrophobicContact CG1-CE2 3.88Å; R146-F149 PolarHBondContact O-N 3.39Å; F149-K151 VanDerWaalsContact C-N 3.33Å; F149-K151 PolarHBondContact O-N 3.11Å; F149-A152 PolarHBondContact O-N 2.88Å; F149-L153 HydrophobicContact CB-CD1 4.46Å; F149-L153 HydrophobicContact CD1-CD1 4.48Å; F149-L153 VanDerWaalsContact O-CB 3.3Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 WeakPolarHBondContact O-CD1 3.22Å; F149-L153 VanDerWaalsContact O-CG 3.24Å; F149-L153 WeakPolarHBondContact O-CG 3.17Å; F149-L153 PolarHBondContact O-N 3.41Å; F149-F279 HydrophobicContact CD1-CE2 4.3Å; F149-F279 HydrophobicContact CD1-CZ 4.01Å; F149-F279 AromaticContact CD2-CE2 4Å; F149-F279 HydrophobicContact CD2-CE2 4Å; F149-F279 AromaticContact CD2-CZ 3.87Å; F149-F279 HydrophobicContact CD2-CZ 3.87Å; F149-F279 HydrophobicContact CE1-CE1 4.43Å; F149-F279 AromaticContact CE1-CZ 3.81Å; F149-F279 HydrophobicContact CE1-CZ 3.81Å; F149-F279 HydrophobicContact CE2-CE2 4.27Å; F149-F279 AromaticContact CE2-CZ 3.68Å; F149-F279 HydrophobicContact CE2-CZ 3.68Å; F149-F279 HydrophobicContact CG-CE2 4.02Å; F149-F279 HydrophobicContact CG-CZ 4.03Å; F149-F279 HydrophobicContact CZ-CE1 4.39Å; F149-F279 AromaticContact CZ-CZ 3.66Å; F149-F279 HydrophobicContact CZ-CZ 3.66Å; F149-C300 HydrophobicContact CE2-CB 3.87Å; F149-C300 HydrophobicContact CZ-CB 3.99Å; F149-C300 WeakPolarHBondContact CZ-O 3.45Å; F149-E303 HydrophobicContact CE1-CB 4.49Å; F149-E303 HydrophobicContact CZ-CB 4.21Å; F149-M304 HydrophobicContact CD1-CE 3.36Å; F149-M304 HydrophobicContact CD1-SD 4.28Å; F149-M304 HydrophobicContact CE1-CB 4.17Å; F149-M304 HydrophobicContact CE1-CE 3.76Å; F149-M304 HydrophobicContact CE1-SD 4.37Å; F149-M304 HydrophobicContact CG-CE 4.17Å; F149-V439 HydrophobicContact CB-CG1 4.22Å; F149-V439 HydrophobicContact CB-CG2 3.88Å; F149-V439 HydrophobicContact CD1-CG1 4.42Å
150	S	94.4	Very high	88.2	Confident	37 Å²	37	58 Å²	58	26%	0.259	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-41.1	-179.2	-55.2	0	0	0	0	110.9	R146 T147 Y148 L153 T154	R146-S150 WeakPolarHBondContact O-CB 3.34Å; R146-S150 PolarHBondContact O-N 2.77Å; R146-S150 PolarHBondContact O-OG 2.64Å; T147-S150 PolarHBondContact O-N 3.11Å; Y148-S150 VanDerWaalsContact C-N 3.34Å; Y148-S150 PolarHBondContact O-N 3.26Å; S150-L153 PolarHBondContact O-N 3.35Å; S150-T154 WeakPolarHBondContact O-CB 3.38Å; S150-T154 WeakPolarHBondContact O-CG2 3.16Å; S150-T154 PolarHBondContact O-N 3.27Å; S150-T154 VanDerWaalsContact O-N 3.15Å; S150-T154 PolarHBondContact O-OG1 3.4Å
151	K	91.9	Very high	87.5	Confident	127 Å²	127	53.2 Å²	53.2	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-63.5	-45.7	176.8	-174.5	-179.5	172.5	-157.7	0	111.6	T147 Y148 F149 L153 T154 E282	T147-K151 WeakPolarHBondContact O-CB 3.45Å; T147-K151 PolarHBondContact O-N 3.16Å; Y148-K151 PolarHBondContact O-N 3.48Å; F149-K151 VanDerWaalsContact C-N 3.33Å; F149-K151 PolarHBondContact O-N 3.11Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.11Å; K151-T154 VanDerWaalsContact O-O 3.13Å; K151-E282 WeakPolarHBondContact CD-OE2 3.44Å; K151-E282 WeakPolarHBondContact CE-OE1 3.44Å; K151-E282 IonicContact NZ-OE1 3.2Å; K151-E282 PolarHBondContact NZ-OE1 2.95Å; K151-E282 IonicContact NZ-OE2 3.77Å; K151-E282 PolarHBondContact NZ-OE2 3.45Å; K151-E282 VanDerWaalsContact NZ-OE2 3.08Å
152	A	91.3	Very high	87.1	Confident	18 Å²	18	52 Å²	52	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-29.8	179.5	0	0	0	0	0	113.9	Y148 F149 F204 F279 M304	Y148-A152 WeakPolarHBondContact O-CB 3.44Å; Y148-A152 PolarHBondContact O-N 3.31Å; F149-A152 PolarHBondContact O-N 2.88Å; A152-F204 HydrophobicContact CB-CD1 4.31Å; A152-F204 HydrophobicContact CB-CE1 4.3Å; A152-F279 HydrophobicContact CB-CB 3.84Å; A152-F279 HydrophobicContact CB-CD2 3.63Å; A152-F279 HydrophobicContact CB-CG 4.08Å; A152-M304 HydrophobicContact CB-CE 4.36Å
153	L	90.7	Very high	86.6	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.058	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5.6	-174.9	-61.4	167.1	0	0	0	113.5	F149 S150 K151 F204 M304 V439 I443	F149-L153 HydrophobicContact CB-CD1 4.46Å; F149-L153 HydrophobicContact CD1-CD1 4.48Å; F149-L153 VanDerWaalsContact O-CB 3.3Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 WeakPolarHBondContact O-CD1 3.22Å; F149-L153 VanDerWaalsContact O-CG 3.24Å; F149-L153 WeakPolarHBondContact O-CG 3.17Å; F149-L153 PolarHBondContact O-N 3.41Å; S150-L153 PolarHBondContact O-N 3.35Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.11Å; L153-F204 HydrophobicContact CD2-CE1 3.74Å; L153-F204 HydrophobicContact CD2-CE2 4.22Å; L153-F204 HydrophobicContact CD2-CZ 3.35Å; L153-M304 HydrophobicContact CD1-CE 4.02Å; L153-M304 HydrophobicContact CD1-SD 4.24Å; L153-M304 HydrophobicContact CD2-CE 4.24Å; L153-M304 HydrophobicContact CD2-SD 3.97Å; L153-M304 HydrophobicContact CG-CE 4.07Å; L153-M304 HydrophobicContact CG-SD 4.38Å; L153-V439 HydrophobicContact CD1-CB 4.22Å; L153-V439 HydrophobicContact CD1-CG1 3.59Å; L153-V439 HydrophobicContact CD1-CG2 3.94Å; L153-I443 HydrophobicContact CB-CG2 4.27Å; L153-I443 HydrophobicContact CD2-CD1 4.12Å; L153-I443 HydrophobicContact CD2-CG2 3.81Å
154	T	84.2	Confident	86.4	Confident	63 Å²	63	47.8 Å²	47.8	39%	0.387	27%	0.265	S	S	.	.	S	Bend	trans	-133.3	174.2	176.3	65.3	0	0	0	0	111.2	S150 K151	S150-T154 WeakPolarHBondContact O-CB 3.38Å; S150-T154 WeakPolarHBondContact O-CG2 3.16Å; S150-T154 PolarHBondContact O-N 3.27Å; S150-T154 VanDerWaalsContact O-N 3.15Å; S150-T154 PolarHBondContact O-OG1 3.4Å; K151-T154 VanDerWaalsContact O-O 3.13Å
155	G	77.3	Confident	86.2	Confident	49 Å²	49	44.1 Å²	44.1	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-143.2	174.4	0	0	0	0	0	114.1	G157 L158	G155-G157 PolarHBondContact O-N 2.66Å; G155-L158 VanDerWaalsContact O-CB 3.27Å; G155-L158 WeakPolarHBondContact O-CB 3.2Å; G155-L158 PolarHBondContact O-N 2.84Å
156	P	67.1	Low	86	Confident	73 Å²	73	44.6 Å²	44.6	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-32.2	-173.8	-24.4	33.2	0	0	0	114.4	L158 Q159 R160 E276	P156-L158 PolarHBondContact O-N 2.83Å; P156-L158 VanDerWaalsContact O-N 3.16Å; P156-Q159 PolarHBondContact O-N 3.29Å; P156-Q159 VanDerWaalsContact O-N 3.07Å; P156-R160 PolarHBondContact O-N 2.94Å; P156-E276 VanDerWaalsContact CB-OE1 3.29Å; P156-E276 WeakPolarHBondContact CB-OE1 3.35Å
157	G	65.7	Low	85.9	Confident	15 Å²	15	45.2 Å²	45.2	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-29.9	175.3	0	0	0	0	0	113.3	G155 R160 T161	G155-G157 PolarHBondContact O-N 2.66Å; G157-R160 PolarHBondContact O-N 3.45Å; G157-T161 PolarHBondContact O-N 3.39Å; G157-T161 PolarHBondContact O-OG1 3.42Å
158	L	69.9	Low	85.8	Confident	52 Å²	52	41.2 Å²	41.2	27%	0.272	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-34.3	178	-166.1	65.5	0	0	0	112.5	G155 P156 T161 I443 V446	G155-L158 VanDerWaalsContact O-CB 3.27Å; G155-L158 WeakPolarHBondContact O-CB 3.2Å; G155-L158 PolarHBondContact O-N 2.84Å; P156-L158 PolarHBondContact O-N 2.83Å; P156-L158 VanDerWaalsContact O-N 3.16Å; L158-T161 WeakPolarHBondContact CA-OG1 3.44Å; L158-T161 VanDerWaalsContact O-CB 3.25Å; L158-T161 WeakPolarHBondContact O-CB 3.34Å; L158-T161 PolarHBondContact O-N 2.96Å; L158-T161 PolarHBondContact O-OG1 3.39Å; L158-I443 HydrophobicContact CD1-CB 3.97Å; L158-I443 HydrophobicContact CD1-CG1 4.26Å; L158-V446 HydrophobicContact CD1-CB 4.16Å; L158-V446 HydrophobicContact CD1-CG2 3.75Å; L158-V446 HydrophobicContact CG-CG2 4.28Å
159	Q	70.9	Confident	85.8	Confident	167 Å²	167	39.8 Å²	39.8	78%	0.78	23%	0.231	S	C	*	.	H	α-helix	trans	-70.3	-41.5	178.1	-67.3	-179.4	-8.7	0	0	111.1	P156 T161	P156-Q159 PolarHBondContact O-N 3.29Å; P156-Q159 VanDerWaalsContact O-N 3.07Å; Q159-T161 VanDerWaalsContact C-N 3.27Å; Q159-T161 PolarHBondContact O-N 3.49Å
160	R	76.9	Confident	85.8	Confident	96 Å²	96	40.2 Å²	40.2	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-68.1	-26.6	174.7	-66.5	-166	-79.8	142.3	-4.7	113	P156 G157 V162 G163 I164 E276	P156-R160 PolarHBondContact O-N 2.94Å; G157-R160 PolarHBondContact O-N 3.45Å; R160-V162 VanDerWaalsContact C-N 3.3Å; R160-V162 PolarHBondContact O-N 2.81Å; R160-G163 PolarHBondContact O-N 3.16Å; R160-I164 HydrophobicContact CB-CD1 4.45Å; R160-I164 WeakPolarHBondContact O-CG1 3.26Å; R160-I164 PolarHBondContact O-N 3.23Å; R160-I164 VanDerWaalsContact O-N 3.12Å; R160-E276 IonicContact CZ-OE2 3.79Å; R160-E276 IonicContact NE-OE2 2.74Å; R160-E276 PolarHBondContact NE-OE2 3.36Å; R160-E276 IonicContact NH2-OE2 3.08Å; R160-E276 PolarHBondContact NH2-OE2 2.77Å
161	T	83.3	Confident	85.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-52.6	-47.3	-179.2	-59.2	0	0	0	0	111.5	G157 L158 Q159 I164 C165 M203 I443 V446 M447	G157-T161 PolarHBondContact O-N 3.39Å; G157-T161 PolarHBondContact O-OG1 3.42Å; L158-T161 WeakPolarHBondContact CA-OG1 3.44Å; L158-T161 VanDerWaalsContact O-CB 3.25Å; L158-T161 WeakPolarHBondContact O-CB 3.34Å; L158-T161 PolarHBondContact O-N 2.96Å; L158-T161 PolarHBondContact O-OG1 3.39Å; Q159-T161 VanDerWaalsContact C-N 3.27Å; Q159-T161 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 3.04Å; T161-C165 WeakPolarHBondContact O-CB 3.43Å; T161-C165 PolarHBondContact O-N 3.49Å; T161-C165 PolarHBondContact O-SG 3.12Å; T161-M203 HydrophobicContact CG2-SD 4.07Å; T161-M203 VanDerWaalsContact OG1-CE 3.32Å; T161-M203 WeakPolarHBondContact OG1-CE 3.38Å; T161-I443 HydrophobicContact CG2-CD1 4.06Å; T161-I443 HydrophobicContact CG2-CG1 3.76Å; T161-V446 HydrophobicContact CG2-CG1 3.85Å; T161-M447 HydrophobicContact CG2-CG 3.92Å
162	V	87.8	Confident	86.1	Confident	19 Å²	19	38.1 Å²	38.1	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-53.3	-175.8	171.3	0	0	0	0	111	R160 I164 C165 V166 H351 V446	R160-V162 VanDerWaalsContact C-N 3.3Å; R160-V162 PolarHBondContact O-N 2.81Å; V162-I164 VanDerWaalsContact C-N 3.31Å; V162-I164 PolarHBondContact O-N 3.38Å; V162-C165 WeakPolarHBondContact O-CB 3.34Å; V162-C165 PolarHBondContact O-N 3.29Å; V162-C165 VanDerWaalsContact O-N 3.15Å; V162-V166 HydrophobicContact CG1-CG2 4.29Å; V162-V166 VanDerWaalsContact O-CG2 3.31Å; V162-V166 WeakPolarHBondContact O-CG2 3.36Å; V162-V166 PolarHBondContact O-N 2.97Å; V162-H351 WeakPolarHBondContact CG1-NE2 3.28Å; V162-V446 HydrophobicContact CG2-CG1 3.53Å
163	G	88.7	Confident	86.3	Confident	26 Å²	26	37.4 Å²	37.4	27%	0.268	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-41.3	-179.9	0	0	0	0	0	112.3	R160 S167	R160-G163 PolarHBondContact O-N 3.16Å; G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 2.72Å
164	I	92.5	Very high	86.5	Confident	21 Å²	21	41.5 Å²	41.5	11%	0.108	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-44.1	175.8	-66.9	170.5	0	0	0	111	R160 T161 V162 S168 I199 R202 M203	R160-I164 HydrophobicContact CB-CD1 4.45Å; R160-I164 WeakPolarHBondContact O-CG1 3.26Å; R160-I164 PolarHBondContact O-N 3.23Å; R160-I164 VanDerWaalsContact O-N 3.12Å; T161-I164 PolarHBondContact O-N 3.04Å; V162-I164 VanDerWaalsContact C-N 3.31Å; V162-I164 PolarHBondContact O-N 3.38Å; I164-S168 WeakPolarHBondContact O-CB 3.38Å; I164-S168 PolarHBondContact O-N 2.84Å; I164-I199 HydrophobicContact CG2-CB 4.41Å; I164-I199 HydrophobicContact CG2-CG1 4.35Å; I164-I199 HydrophobicContact CG2-CG2 4.11Å; I164-R202 HydrophobicContact CG2-CB 3.84Å; I164-M203 HydrophobicContact CD1-CG 3.79Å; I164-M203 HydrophobicContact CG2-CG 4.31Å
165	C	94.1	Very high	87	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-48	178.5	-68.6	0	0	0	0	111.7	T161 V162 T169 I199 A450	T161-C165 WeakPolarHBondContact O-CB 3.43Å; T161-C165 PolarHBondContact O-N 3.49Å; T161-C165 PolarHBondContact O-SG 3.12Å; V162-C165 WeakPolarHBondContact O-CB 3.34Å; V162-C165 PolarHBondContact O-N 3.29Å; V162-C165 VanDerWaalsContact O-N 3.15Å; C165-T169 WeakPolarHBondContact O-CB 3.46Å; C165-T169 PolarHBondContact O-N 3.12Å; C165-T169 PolarHBondContact O-OG1 3.46Å; C165-I199 HydrophobicContact CB-CD1 4.11Å; C165-A450 HydrophobicContact CB-CB 3.54Å
166	V	92.7	Very high	87.7	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-50.1	179.8	174.3	0	0	0	0	110.2	V162 S168 T169 A170 V346 E347 A450	V162-V166 HydrophobicContact CG1-CG2 4.29Å; V162-V166 VanDerWaalsContact O-CG2 3.31Å; V162-V166 WeakPolarHBondContact O-CG2 3.36Å; V162-V166 PolarHBondContact O-N 2.97Å; V166-S168 PolarHBondContact O-N 3.37Å; V166-T169 PolarHBondContact O-N 3.36Å; V166-A170 VanDerWaalsContact O-CB 3.24Å; V166-A170 WeakPolarHBondContact O-CB 3.32Å; V166-A170 PolarHBondContact O-N 3.47Å; V166-V346 HydrophobicContact CG1-CB 4.04Å; V166-V346 HydrophobicContact CG1-CG1 3.95Å; V166-V346 HydrophobicContact CG2-CG1 3.72Å; V166-E347 HydrophobicContact CB-CG 4.02Å; V166-E347 HydrophobicContact CG1-CG 3.78Å; V166-E347 HydrophobicContact CG2-CG 4.38Å; V166-A450 HydrophobicContact CG2-CB 4.45Å
167	S	94.9	Very high	88.8	Confident	45 Å²	45	41.6 Å²	41.6	32%	0.315	22%	0.22	S	C	.	.	H	α-helix	trans	-59.7	-47.4	178.7	165.8	0	0	0	0	112.4	G163 K171 R202	G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 2.72Å; S167-K171 WeakPolarHBondContact O-CB 3.34Å; S167-K171 PolarHBondContact O-N 2.89Å; S167-R202 PolarHBondContact OG-NH1 3.07Å; S167-R202 PolarHBondContact OG-NH2 3.15Å
168	S	95.8	Very high	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-45.7	179.1	-177.9	0	0	0	0	111.5	I164 V166 A170 K171 H172 I195 D198	I164-S168 WeakPolarHBondContact O-CB 3.38Å; I164-S168 PolarHBondContact O-N 2.84Å; V166-S168 PolarHBondContact O-N 3.37Å; S168-A170 PolarHBondContact O-N 3.35Å; S168-K171 PolarHBondContact O-N 3.34Å; S168-H172 PolarHBondContact O-N 3.49Å; S168-H172 VanDerWaalsContact O-N 3.11Å; S168-H172 PolarHBondContact O-ND1 3.4Å; S168-I195 PolarHBondContact OG-O 3.41Å; S168-D198 VanDerWaalsContact CB-OD2 3.22Å; S168-D198 WeakPolarHBondContact CB-OD2 3.33Å; S168-D198 PolarHBondContact OG-OD2 3.32Å
169	T	96.7	Very high	90.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-46.3	177.9	-54.9	0	0	0	0	110.7	C165 V166 K171 H172 L173 I195 I451 T454	C165-T169 WeakPolarHBondContact O-CB 3.46Å; C165-T169 PolarHBondContact O-N 3.12Å; C165-T169 PolarHBondContact O-OG1 3.46Å; V166-T169 PolarHBondContact O-N 3.36Å; T169-K171 PolarHBondContact O-N 3.05Å; T169-H172 PolarHBondContact O-N 3.08Å; T169-L173 HydrophobicContact CG2-CD1 3.88Å; T169-L173 HydrophobicContact CG2-CG 4.3Å; T169-L173 WeakPolarHBondContact O-CB 3.36Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.29Å; T169-L173 PolarHBondContact O-N 3.02Å; T169-I195 HydrophobicContact CG2-CD1 4.26Å; T169-I451 HydrophobicContact CG2-CG2 4.26Å; T169-T454 HydrophobicContact CG2-CG2 3.75Å
170	A	95.8	Very high	91.7	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-48.4	177.3	0	0	0	0	0	111.9	V166 S168 H172 L173 D174 T454	V166-A170 VanDerWaalsContact O-CB 3.24Å; V166-A170 WeakPolarHBondContact O-CB 3.32Å; V166-A170 PolarHBondContact O-N 3.47Å; S168-A170 PolarHBondContact O-N 3.35Å; A170-H172 VanDerWaalsContact C-N 3.31Å; A170-H172 PolarHBondContact O-N 2.9Å; A170-L173 CarbonylContact O-C 3.55Å; A170-L173 PolarHBondContact O-N 2.57Å; A170-L173 VanDerWaalsContact O-N 3.12Å; A170-D174 PolarHBondContact O-N 2.87Å; A170-T454 HydrophobicContact CB-CG2 4.43Å
171	K	96	Very high	92.3	Very high	102 Å²	102	38.3 Å²	38.3	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-52.2	-48	176.3	175.2	-166	169.9	-153.2	0	111.8	S167 S168 T169 D174 S175 E211	S167-K171 WeakPolarHBondContact O-CB 3.34Å; S167-K171 PolarHBondContact O-N 2.89Å; S168-K171 PolarHBondContact O-N 3.34Å; T169-K171 PolarHBondContact O-N 3.05Å; K171-D174 PolarHBondContact O-N 2.52Å; K171-S175 PolarHBondContact O-N 3.03Å; K171-E211 IonicContact NZ-OE1 3.63Å
172	H	96.1	Very high	92.4	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-71.8	-32.6	-179.1	-70.7	85.5	0	0	0	112.9	S168 T169 A170 D174 S175 L176 L191 I195 D198 E211	S168-H172 PolarHBondContact O-N 3.49Å; S168-H172 VanDerWaalsContact O-N 3.11Å; S168-H172 PolarHBondContact O-ND1 3.4Å; T169-H172 PolarHBondContact O-N 3.08Å; A170-H172 VanDerWaalsContact C-N 3.31Å; A170-H172 PolarHBondContact O-N 2.9Å; H172-D174 VanDerWaalsContact C-N 3.34Å; H172-S175 CarbonylContact O-C 3.14Å; H172-S175 PolarHBondContact O-N 3.36Å; H172-L176 PolarHBondContact O-N 2.97Å; H172-L191 HydrophobicContact CB-CD1 3.86Å; H172-I195 HydrophobicContact CB-CD1 4.04Å; H172-I195 HydrophobicContact CB-CG1 3.57Å; H172-D198 IonicContact CE1-OD2 3.99Å; H172-E211 IonicContact NE2-OE1 3.63Å; H172-E211 IonicContact NE2-OE2 2.75Å; H172-E211 PolarHBondContact NE2-OE2 3.46Å
173	L	95.8	Very high	92.3	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-72	-26.6	173.9	-68.9	176.6	0	0	0	112.9	T169 A170 S175 L176 L191 T454 L455 Y459 F493	T169-L173 HydrophobicContact CG2-CD1 3.88Å; T169-L173 HydrophobicContact CG2-CG 4.3Å; T169-L173 WeakPolarHBondContact O-CB 3.36Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.29Å; T169-L173 PolarHBondContact O-N 3.02Å; A170-L173 CarbonylContact O-C 3.55Å; A170-L173 PolarHBondContact O-N 2.57Å; A170-L173 VanDerWaalsContact O-N 3.12Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-L176 HydrophobicContact CD2-CD1 4.48Å; L173-L176 WeakPolarHBondContact O-CB 3.25Å; L173-L191 HydrophobicContact CD2-CD2 4.4Å; L173-T454 HydrophobicContact CD1-CG2 4.46Å; L173-L455 HydrophobicContact CD1-CB 4.48Å; L173-Y459 HydrophobicContact CB-CE2 4.32Å; L173-Y459 HydrophobicContact CD1-CE2 4.45Å; L173-Y459 HydrophobicContact CD2-CD2 4.23Å; L173-Y459 HydrophobicContact CD2-CE2 4.1Å; L173-F493 HydrophobicContact CD2-CD2 4.35Å; L173-F493 HydrophobicContact CD2-CE2 4.14Å
174	D	95.2	Very high	92.3	Very high	98 Å²	98	47.1 Å²	47.1	52%	0.524	28%	0.276	S	S	.	.	H	α-helix	trans	-75.4	-24.4	173.9	-63.5	-22.8	0	0	0	111.6	A170 K171 H172 Q177 R458	A170-D174 PolarHBondContact O-N 2.87Å; K171-D174 PolarHBondContact O-N 2.52Å; H172-D174 VanDerWaalsContact C-N 3.34Å; D174-Q177 PolarHBondContact O-OE1 3.35Å; D174-R458 IonicContact OD1-CZ 3.9Å; D174-R458 IonicContact OD1-NH1 3.33Å; D174-R458 PolarHBondContact OD1-NH1 3.2Å; D174-R458 IonicContact OD1-NH2 3.18Å
175	S	93.4	Very high	92.3	Very high	50 Å²	50	47.4 Å²	47.4	35%	0.35	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	24.9	174.3	-66.8	0	0	0	0	113.2	K171 H172 L173 Q177 D178	K171-S175 PolarHBondContact O-N 3.03Å; H172-S175 CarbonylContact O-C 3.14Å; H172-S175 PolarHBondContact O-N 3.36Å; L173-S175 VanDerWaalsContact C-N 3.32Å; S175-Q177 PolarHBondContact O-N 3.38Å; S175-Q177 VanDerWaalsContact O-N 3.11Å; S175-D178 WeakPolarHBondContact O-CB 3.29Å; S175-D178 PolarHBondContact O-N 2.89Å
176	L	92.4	Very high	92.2	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-57.7	-31.2	-172.8	-169.1	64.3	0	0	0	113.3	H172 L173 D178 M179 T180 V186 L191 Y459 F493	H172-L176 PolarHBondContact O-N 2.97Å; L173-L176 HydrophobicContact CD2-CD1 4.48Å; L173-L176 WeakPolarHBondContact O-CB 3.25Å; L176-D178 PolarHBondContact O-N 3.42Å; L176-D178 VanDerWaalsContact O-N 3.17Å; L176-M179 PolarHBondContact O-N 3.09Å; L176-M179 VanDerWaalsContact O-N 3.11Å; L176-T180 PolarHBondContact O-N 3.48Å; L176-T180 PolarHBondContact O-OG1 2.91Å; L176-V186 HydrophobicContact CD1-CB 4.48Å; L176-V186 HydrophobicContact CD1-CG1 3.69Å; L176-V186 HydrophobicContact CD1-CG2 3.9Å; L176-V186 HydrophobicContact CD2-CG2 4.14Å; L176-V186 HydrophobicContact CG-CG2 3.98Å; L176-L191 HydrophobicContact CD1-CD1 4.5Å; L176-L191 HydrophobicContact CD1-CD2 3.66Å; L176-Y459 HydrophobicContact CD2-CE1 4.34Å; L176-F493 HydrophobicContact CD1-CD2 4.46Å; L176-F493 HydrophobicContact CD2-CB 3.92Å; L176-F493 HydrophobicContact CD2-CD2 4.25Å; L176-F493 HydrophobicContact CD2-CG 4.24Å
177	Q	90	Very high	92.2	Very high	123 Å²	123	49.8 Å²	49.8	58%	0.575	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.3	176.6	61.9	-81.9	2	0	0	113.6	D174 S175 M179 T180	D174-Q177 PolarHBondContact O-OE1 3.35Å; S175-Q177 PolarHBondContact O-N 3.38Å; S175-Q177 VanDerWaalsContact O-N 3.11Å; Q177-M179 PolarHBondContact O-N 3.29Å; Q177-T180 PolarHBondContact O-N 2.94Å
178	D	88.1	Confident	92.1	Very high	104 Å²	104	47.7 Å²	47.7	56%	0.556	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-70.6	-17.6	-178.5	-64	-13.4	0	0	0	112.8	S175 L176	S175-D178 WeakPolarHBondContact O-CB 3.29Å; S175-D178 PolarHBondContact O-N 2.89Å; L176-D178 PolarHBondContact O-N 3.42Å; L176-D178 VanDerWaalsContact O-N 3.17Å
179	M	88.6	Confident	91.9	Very high	46 Å²	46	47.7 Å²	47.7	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-119.5	12.6	-179.6	-60.3	-66.3	-167.2	0	0	112	L176 Q177 V186 D187	L176-M179 PolarHBondContact O-N 3.09Å; L176-M179 VanDerWaalsContact O-N 3.11Å; Q177-M179 PolarHBondContact O-N 3.29Å; M179-V186 HydrophobicContact CB-CG1 4.48Å; M179-V186 WeakPolarHBondContact O-CA 3.42Å; M179-D187 PolarHBondContact O-N 2.97Å
180	T	91	Very high	91.7	Very high	47 Å²	47	49.7 Å²	49.7	29%	0.288	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-106.3	127.4	-179.1	-55.8	0	0	0	0	110.1	L176 Q177 H185 V186	L176-T180 PolarHBondContact O-N 3.48Å; L176-T180 PolarHBondContact O-OG1 2.91Å; Q177-T180 PolarHBondContact O-N 2.94Å; T180-H185 WeakPolarHBondContact CA-O 3.29Å; T180-V186 HydrophobicContact CG2-CG2 4.5Å
181	D	88.7	Confident	91.6	Very high	63 Å²	63	49.2 Å²	49.2	34%	0.337	28%	0.281	S	S	.	.			trans	-72	169.1	175	75.4	18.3	0	0	0	112.4	S183 G184 H185 R464	D181-S183 PolarHBondContact O-N 2.96Å; D181-S183 VanDerWaalsContact OD1-C 3.25Å; D181-S183 VanDerWaalsContact OD1-CA 3.23Å; D181-S183 WeakPolarHBondContact OD1-CA 3.43Å; D181-S183 WeakPolarHBondContact OD1-CB 3.31Å; D181-S183 PolarHBondContact OD1-N 3.2Å; D181-S183 PolarHBondContact OD1-OG 2.81Å; D181-S183 PolarHBondContact OD2-OG 3.33Å; D181-S183 VanDerWaalsContact OD2-OG 3.06Å; D181-G184 PolarHBondContact O-N 3.1Å; D181-G184 PolarHBondContact OD1-N 2.81Å; D181-H185 PolarHBondContact N-O 3.35Å; D181-H185 PolarHBondContact OD1-N 2.92Å; D181-H185 IonicContact OD1-ND1 3.86Å; D181-R464 IonicContact OD2-NH2 2.68Å; D181-R464 PolarHBondContact OD2-NH2 3.39Å
182	S	86.8	Confident	91.6	Very high	138 Å²	138	44.4 Å²	44.4	97%	0.965	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.6	178.9	57	0	0	0	0	114.2
183	S	86.1	Confident	91.6	Very high	60 Å²	60	44 Å²	44	42%	0.42	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.4	176.5	75.7	0	0	0	0	113.4	D181 H185	D181-S183 PolarHBondContact O-N 2.96Å; D181-S183 VanDerWaalsContact OD1-C 3.25Å; D181-S183 VanDerWaalsContact OD1-CA 3.23Å; D181-S183 WeakPolarHBondContact OD1-CA 3.43Å; D181-S183 WeakPolarHBondContact OD1-CB 3.31Å; D181-S183 PolarHBondContact OD1-N 3.2Å; D181-S183 PolarHBondContact OD1-OG 2.81Å; D181-S183 PolarHBondContact OD2-OG 3.33Å; D181-S183 VanDerWaalsContact OD2-OG 3.06Å; S183-H185 PolarHBondContact O-ND1 3.46Å; S183-H185 PolarHBondContact OG-ND1 2.65Å
184	G	88.3	Confident	91.5	Very high	32 Å²	32	43.9 Å²	43.9	33%	0.33	26%	0.257	S	S	.	.	S	Bend	trans	79.2	18.6	179.2	0	0	0	0	0	114.3	D181	D181-G184 PolarHBondContact O-N 3.1Å; D181-G184 PolarHBondContact OD1-N 2.81Å
185	H	91.1	Very high	91.5	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.125	23%	0.232	C	C	.	.			trans	-96.9	129.8	173.8	-61.2	77	0	0	0	110.6	T180 D181 S183 R464 A490	T180-H185 WeakPolarHBondContact CA-O 3.29Å; D181-H185 PolarHBondContact N-O 3.35Å; D181-H185 PolarHBondContact OD1-N 2.92Å; D181-H185 IonicContact OD1-ND1 3.86Å; S183-H185 PolarHBondContact O-ND1 3.46Å; S183-H185 PolarHBondContact OG-ND1 2.65Å; H185-R464 PolarHBondContact CE1-NH1 3.3Å; H185-A490 HydrophobicContact CB-CB 3.73Å
186	V	92.9	Very high	91.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.6	177.2	-176.3	0	0	0	0	109.2	L176 M179 T180 A188 L191 A490 M491 F493	L176-V186 HydrophobicContact CD1-CB 4.48Å; L176-V186 HydrophobicContact CD1-CG1 3.69Å; L176-V186 HydrophobicContact CD1-CG2 3.9Å; L176-V186 HydrophobicContact CD2-CG2 4.14Å; L176-V186 HydrophobicContact CG-CG2 3.98Å; M179-V186 HydrophobicContact CB-CG1 4.48Å; M179-V186 WeakPolarHBondContact O-CA 3.42Å; T180-V186 HydrophobicContact CG2-CG2 4.5Å; V186-A188 PolarHBondContact O-N 2.71Å; V186-L191 HydrophobicContact CG1-CB 4.44Å; V186-L191 HydrophobicContact CG1-CD2 3.92Å; V186-A490 CarbonylContact O-C 3.56Å; V186-A490 VanDerWaalsContact O-CA 3.28Å; V186-A490 WeakPolarHBondContact O-CA 3.43Å; V186-M491 WeakPolarHBondContact CB-O 3.46Å; V186-M491 PolarHBondContact N-O 2.89Å; V186-M491 PolarHBondContact O-N 3.33Å; V186-F493 HydrophobicContact CB-CD1 3.8Å; V186-F493 HydrophobicContact CB-CE1 3.9Å; V186-F493 HydrophobicContact CG1-CD1 4.31Å; V186-F493 HydrophobicContact CG1-CE1 4.07Å; V186-F493 HydrophobicContact CG1-CZ 4.5Å; V186-F493 HydrophobicContact CG2-CB 4.26Å; V186-F493 HydrophobicContact CG2-CD1 3.63Å; V186-F493 HydrophobicContact CG2-CE1 4.21Å; V186-F493 HydrophobicContact CG2-CG 4.05Å
187	D	91.7	Very high	91.7	Very high	60 Å²	60	36.3 Å²	36.3	32%	0.321	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	84.1	163.3	-172.8	-19.4	0	0	0	109.8	M179 L189 N190 L191	M179-D187 PolarHBondContact O-N 2.97Å; D187-L189 VanDerWaalsContact C-N 3.32Å; D187-L189 PolarHBondContact O-N 2.95Å; D187-N190 HydrophobicContact CB-CB 4.48Å; D187-N190 PolarHBondContact O-N 3.26Å; D187-N190 PolarHBondContact OD1-N 2.96Å; D187-N190 VanDerWaalsContact OD1-N 3.11Å; D187-N190 PolarHBondContact OD1-ND2 3.4Å; D187-N190 PolarHBondContact OD2-ND2 3.36Å; D187-L191 VanDerWaalsContact O-CB 3.31Å; D187-L191 WeakPolarHBondContact O-CB 3.33Å; D187-L191 PolarHBondContact O-N 3.46Å
188	A	93.2	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-37.1	-170.7	0	0	0	0	0	112.3	V186 L192 F317 M491 F493	V186-A188 PolarHBondContact O-N 2.71Å; A188-L192 WeakPolarHBondContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CD1 3.4Å; A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.94Å; A188-F317 HydrophobicContact CB-CD2 4.37Å; A188-M491 HydrophobicContact CB-CB 4.14Å; A188-M491 HydrophobicContact CB-CE 4.45Å; A188-M491 HydrophobicContact CB-CG 3.87Å; A188-M491 HydrophobicContact CB-SD 3.64Å; A188-F493 HydrophobicContact CB-CE1 4.18Å; A188-F493 HydrophobicContact CB-CZ 4.48Å
189	L	92.6	Very high	92.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-46.7	-179.3	-179	57.9	0	0	0	110.9	D187 L192 R193 I314 F317 P482 E484 L489	D187-L189 VanDerWaalsContact C-N 3.32Å; D187-L189 PolarHBondContact O-N 2.95Å; L189-L192 PolarHBondContact O-N 3.09Å; L189-R193 WeakPolarHBondContact O-CB 3.28Å; L189-R193 WeakPolarHBondContact O-CG 3.24Å; L189-R193 PolarHBondContact O-N 3.23Å; L189-I314 HydrophobicContact CD1-CG1 4.09Å; L189-F317 HydrophobicContact CB-CD2 4.24Å; L189-F317 HydrophobicContact CD1-CB 4.15Å; L189-F317 HydrophobicContact CD1-CG 4.49Å; L189-P482 HydrophobicContact CD2-CG 4.09Å; L189-E484 HydrophobicContact CD2-CG 4.07Å; L189-L489 HydrophobicContact CD2-CD1 3.87Å
190	N	91.9	Very high	92.4	Very high	43 Å²	43	24 Å²	24	23%	0.23	15%	0.152	C	C	.	.	H	α-helix	trans	-70.3	-31.6	178.3	-73	-40	0	0	0	112.8	D187 R193 A194	D187-N190 HydrophobicContact CB-CB 4.48Å; D187-N190 PolarHBondContact O-N 3.26Å; D187-N190 PolarHBondContact OD1-N 2.96Å; D187-N190 VanDerWaalsContact OD1-N 3.11Å; D187-N190 PolarHBondContact OD1-ND2 3.4Å; D187-N190 PolarHBondContact OD2-ND2 3.36Å; N190-R193 PolarHBondContact O-N 2.79Å; N190-R193 PolarHBondContact OD1-NH1 3.31Å; N190-A194 WeakPolarHBondContact O-CB 3.21Å; N190-A194 PolarHBondContact O-N 2.85Å
191	L	94.4	Very high	92.6	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-51.1	168.2	174.3	65.7	0	0	0	111.4	H172 L173 L176 V186 D187 R193 A194 I195 F493	H172-L191 HydrophobicContact CB-CD1 3.86Å; L173-L191 HydrophobicContact CD2-CD2 4.4Å; L176-L191 HydrophobicContact CD1-CD1 4.5Å; L176-L191 HydrophobicContact CD1-CD2 3.66Å; V186-L191 HydrophobicContact CG1-CB 4.44Å; V186-L191 HydrophobicContact CG1-CD2 3.92Å; D187-L191 VanDerWaalsContact O-CB 3.31Å; D187-L191 WeakPolarHBondContact O-CB 3.33Å; D187-L191 PolarHBondContact O-N 3.46Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.12Å; L191-A194 PolarHBondContact O-N 3.04Å; L191-I195 HydrophobicContact CD1-CD1 4.09Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 WeakPolarHBondContact O-CG1 3.1Å; L191-I195 PolarHBondContact O-N 3.36Å; L191-F493 HydrophobicContact CD2-CE2 3.97Å; L191-F493 HydrophobicContact CD2-CZ 3.9Å
192	L	96.1	Very high	92.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-39.7	179.6	-72.6	169.8	0	0	0	111.6	A188 L189 I195 V196 L316 F317 L320 I451	A188-L192 WeakPolarHBondContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CD1 3.4Å; A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.94Å; L189-L192 PolarHBondContact O-N 3.09Å; L192-I195 PolarHBondContact O-N 3.28Å; L192-V196 WeakPolarHBondContact O-CG1 3.42Å; L192-V196 WeakPolarHBondContact O-CG2 3.44Å; L192-V196 PolarHBondContact O-N 3.17Å; L192-V196 VanDerWaalsContact O-N 3.09Å; L192-L316 HydrophobicContact CD1-CB 3.82Å; L192-L316 HydrophobicContact CD2-CB 3.99Å; L192-L316 HydrophobicContact CD2-CD1 3.9Å; L192-L316 HydrophobicContact CG-CB 4.47Å; L192-F317 HydrophobicContact CD1-CB 3.99Å; L192-L320 HydrophobicContact CD1-CD1 4Å; L192-I451 HydrophobicContact CD2-CG2 4.27Å
193	R	94.7	Very high	92.9	Very high	8 Å²	8	17.8 Å²	17.8	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-45.6	174.1	-78.9	178.9	174.4	149	-2	112.5	L189 N190 L191 V196 V197 L215 S313 E484	L189-R193 WeakPolarHBondContact O-CB 3.28Å; L189-R193 WeakPolarHBondContact O-CG 3.24Å; L189-R193 PolarHBondContact O-N 3.23Å; N190-R193 PolarHBondContact O-N 2.79Å; N190-R193 PolarHBondContact OD1-NH1 3.31Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.12Å; R193-V196 VanDerWaalsContact O-CG2 3.26Å; R193-V196 WeakPolarHBondContact O-CG2 3.41Å; R193-V196 PolarHBondContact O-N 3.01Å; R193-V197 WeakPolarHBondContact O-CG2 3.34Å; R193-V197 PolarHBondContact O-N 3.4Å; R193-L215 HydrophobicContact CB-CD1 4.04Å; R193-L215 HydrophobicContact CB-CD2 3.65Å; R193-L215 HydrophobicContact CB-CG 4.49Å; R193-L215 HydrophobicContact CG-CD2 4.47Å; R193-S313 WeakPolarHBondContact CG-OG 3.29Å; R193-E484 IonicContact CZ-OE1 2.71Å; R193-E484 IonicContact CZ-OE2 3.19Å; R193-E484 IonicContact NH1-OE1 3.9Å; R193-E484 PolarHBondContact NH1-OE1 2.82Å; R193-E484 IonicContact NH1-OE2 3.69Å; R193-E484 PolarHBondContact NH1-OE2 2.96Å; R193-E484 IonicContact NH2-OE1 3.26Å; R193-E484 PolarHBondContact NH2-OE1 3.44Å
194	A	94.5	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.7	-47	177.5	0	0	0	0	0	111.4	N190 L191 V196 V197 D198 L215	N190-A194 WeakPolarHBondContact O-CB 3.21Å; N190-A194 PolarHBondContact O-N 2.85Å; L191-A194 PolarHBondContact O-N 3.04Å; A194-V196 PolarHBondContact O-N 3.42Å; A194-V197 PolarHBondContact O-N 3.45Å; A194-D198 PolarHBondContact O-N 3.33Å; A194-L215 HydrophobicContact CB-CD1 4.13Å
195	I	95.6	Very high	93.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-55.3	-49.8	176.1	-68.6	163.5	0	0	0	110.9	S168 T169 H172 L191 L192 D198 I199 I451	S168-I195 PolarHBondContact OG-O 3.41Å; T169-I195 HydrophobicContact CG2-CD1 4.26Å; H172-I195 HydrophobicContact CB-CD1 4.04Å; H172-I195 HydrophobicContact CB-CG1 3.57Å; L191-I195 HydrophobicContact CD1-CD1 4.09Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 WeakPolarHBondContact O-CG1 3.1Å; L191-I195 PolarHBondContact O-N 3.36Å; L192-I195 PolarHBondContact O-N 3.28Å; I195-D198 PolarHBondContact O-N 2.71Å; I195-I199 HydrophobicContact CG2-CD1 3.66Å; I195-I199 HydrophobicContact CG2-CG1 4.49Å; I195-I199 WeakPolarHBondContact O-CD1 3.43Å; I195-I199 WeakPolarHBondContact O-CG1 3.42Å; I195-I199 PolarHBondContact O-N 3.39Å; I195-I451 HydrophobicContact CG2-CD1 4.21Å; I195-I451 HydrophobicContact CG2-CG1 4.26Å
196	V	95.3	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.8	-27.8	-176.1	-59	0	0	0	0	113.5	L192 R193 A194 S200 A308 P309 L312 M447 I451	L192-V196 WeakPolarHBondContact O-CG1 3.42Å; L192-V196 WeakPolarHBondContact O-CG2 3.44Å; L192-V196 PolarHBondContact O-N 3.17Å; L192-V196 VanDerWaalsContact O-N 3.09Å; R193-V196 VanDerWaalsContact O-CG2 3.26Å; R193-V196 WeakPolarHBondContact O-CG2 3.41Å; R193-V196 PolarHBondContact O-N 3.01Å; A194-V196 PolarHBondContact O-N 3.42Å; V196-S200 VanDerWaalsContact O-CB 3.32Å; V196-S200 WeakPolarHBondContact O-CB 3.41Å; V196-S200 PolarHBondContact O-N 3.07Å; V196-S200 PolarHBondContact O-OG 3.22Å; V196-A308 HydrophobicContact CB-CB 4.17Å; V196-A308 HydrophobicContact CG2-CB 4.46Å; V196-P309 HydrophobicContact CG2-CB 4.23Å; V196-P309 HydrophobicContact CG2-CG 4.07Å; V196-L312 HydrophobicContact CG1-CD2 3.49Å; V196-L312 VanDerWaalsContact CG1-CD2 3.49Å; V196-M447 HydrophobicContact CB-CE 4.36Å; V196-M447 HydrophobicContact CG1-CE 4.23Å; V196-I451 HydrophobicContact CG1-CD1 4Å
197	V	94.6	Very high	93.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-47.5	170.5	165	0	0	0	0	110.6	R193 A194 I199 S200 N201 L209 L214 L215 I218 P309	R193-V197 WeakPolarHBondContact O-CG2 3.34Å; R193-V197 PolarHBondContact O-N 3.4Å; A194-V197 PolarHBondContact O-N 3.45Å; V197-I199 VanDerWaalsContact C-N 3.34Å; V197-I199 PolarHBondContact O-N 3.25Å; V197-S200 PolarHBondContact O-N 2.78Å; V197-N201 WeakPolarHBondContact O-CB 3.22Å; V197-N201 PolarHBondContact O-N 3.47Å; V197-L209 HydrophobicContact CG1-CD1 4.21Å; V197-L209 HydrophobicContact CG1-CD2 4.47Å; V197-L214 HydrophobicContact CG1-CD2 3.81Å; V197-L215 HydrophobicContact CB-CD2 4.41Å; V197-L215 HydrophobicContact CG2-CD2 3.42Å; V197-L215 VanDerWaalsContact CG2-CD2 3.42Å; V197-L215 HydrophobicContact CG2-CG 4.3Å; V197-I218 HydrophobicContact CG2-CD1 4.1Å; V197-P309 HydrophobicContact CG2-CB 4.19Å; V197-P309 HydrophobicContact CG2-CG 3.37Å
198	D	94.8	Very high	93.6	Very high	13 Å²	13	18.6 Å²	18.6	7%	0.07	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-43.9	178	178.7	47.8	0	0	0	111	S168 H172 A194 I195 S200 N201 R202	S168-D198 VanDerWaalsContact CB-OD2 3.22Å; S168-D198 WeakPolarHBondContact CB-OD2 3.33Å; S168-D198 PolarHBondContact OG-OD2 3.32Å; H172-D198 IonicContact CE1-OD2 3.99Å; A194-D198 PolarHBondContact O-N 3.33Å; I195-D198 PolarHBondContact O-N 2.71Å; D198-S200 PolarHBondContact O-N 3.22Å; D198-N201 PolarHBondContact O-N 3.44Å; D198-R202 WeakPolarHBondContact O-CB 3.34Å; D198-R202 VanDerWaalsContact O-CG 3.28Å; D198-R202 WeakPolarHBondContact O-CG 3.16Å; D198-R202 PolarHBondContact O-N 2.84Å
199	I	94	Very high	93.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-50.1	173.7	-66	162	0	0	0	110.8	I164 C165 I195 V197 N201 R202 M203 M447 I451	I164-I199 HydrophobicContact CG2-CB 4.41Å; I164-I199 HydrophobicContact CG2-CG1 4.35Å; I164-I199 HydrophobicContact CG2-CG2 4.11Å; C165-I199 HydrophobicContact CB-CD1 4.11Å; I195-I199 HydrophobicContact CG2-CD1 3.66Å; I195-I199 HydrophobicContact CG2-CG1 4.49Å; I195-I199 WeakPolarHBondContact O-CD1 3.43Å; I195-I199 WeakPolarHBondContact O-CG1 3.42Å; I195-I199 PolarHBondContact O-N 3.39Å; V197-I199 VanDerWaalsContact C-N 3.34Å; V197-I199 PolarHBondContact O-N 3.25Å; I199-N201 VanDerWaalsContact C-N 3.32Å; I199-N201 PolarHBondContact O-N 3.41Å; I199-R202 PolarHBondContact O-N 2.65Å; I199-M203 HydrophobicContact CG2-CG 4.35Å; I199-M203 HydrophobicContact CG2-SD 4Å; I199-M203 WeakPolarHBondContact O-CB 3.41Å; I199-M203 VanDerWaalsContact O-CG 3.29Å; I199-M203 WeakPolarHBondContact O-CG 3.37Å; I199-M203 PolarHBondContact O-N 2.87Å; I199-M447 HydrophobicContact CB-CE 4.09Å; I199-M447 HydrophobicContact CD1-CE 4.05Å; I199-M447 HydrophobicContact CG2-CE 3.65Å; I199-M447 HydrophobicContact CG2-SD 4.32Å; I199-I451 HydrophobicContact CD1-CD1 3.95Å; I199-I451 HydrophobicContact CD1-CG1 4.23Å
200	S	92.9	Very high	93.3	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-43.6	-180	-60.4	0	0	0	0	111.7	V196 V197 D198 M203 F204	V196-S200 VanDerWaalsContact O-CB 3.32Å; V196-S200 WeakPolarHBondContact O-CB 3.41Å; V196-S200 PolarHBondContact O-N 3.07Å; V196-S200 PolarHBondContact O-OG 3.22Å; V197-S200 PolarHBondContact O-N 2.78Å; D198-S200 PolarHBondContact O-N 3.22Å; S200-M203 PolarHBondContact O-N 3.5Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 WeakPolarHBondContact O-CD2 3.37Å; S200-F204 PolarHBondContact O-N 3.42Å
201	N	94	Very high	93	Very high	16 Å²	16	25.8 Å²	25.8	9%	0.086	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-52.7	177.1	178.8	39.1	0	0	0	111.7	V197 D198 I199 M203 F204 L205 R206 V207 L209	V197-N201 WeakPolarHBondContact O-CB 3.22Å; V197-N201 PolarHBondContact O-N 3.47Å; D198-N201 PolarHBondContact O-N 3.44Å; I199-N201 VanDerWaalsContact C-N 3.32Å; I199-N201 PolarHBondContact O-N 3.41Å; N201-M203 PolarHBondContact O-N 3.41Å; N201-M203 VanDerWaalsContact O-N 3.16Å; N201-F204 PolarHBondContact O-N 2.7Å; N201-L205 PolarHBondContact O-N 3.33Å; N201-R206 PolarHBondContact O-N 2.8Å; N201-R206 PolarHBondContact OD1-N 3.48Å; N201-V207 PolarHBondContact ND2-O 3.35Å; N201-V207 PolarHBondContact OD1-N 3.21Å; N201-V207 PolarHBondContact OD1-O 3.39Å; N201-L209 HydrophobicContact CB-CD2 3.54Å; N201-L209 WeakPolarHBondContact ND2-CD2 3.46Å
202	R	92.3	Very high	92.6	Very high	83 Å²	83	31.5 Å²	31.5	31%	0.313	15%	0.154	S	C	.	.	H	α-helix	trans	-59.2	-28.6	180	-71.4	176	65.1	-177.3	1.7	112.9	I164 S167 D198 I199 R206	I164-R202 HydrophobicContact CG2-CB 3.84Å; S167-R202 PolarHBondContact OG-NH1 3.07Å; S167-R202 PolarHBondContact OG-NH2 3.15Å; D198-R202 WeakPolarHBondContact O-CB 3.34Å; D198-R202 VanDerWaalsContact O-CG 3.28Å; D198-R202 WeakPolarHBondContact O-CG 3.16Å; D198-R202 PolarHBondContact O-N 2.84Å; I199-R202 PolarHBondContact O-N 2.65Å; R202-R206 WeakPolarHBondContact O-CG 3.36Å
203	M	90.4	Very high	92.3	Very high	17 Å²	17	34.4 Å²	34.4	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-83.1	-47.5	177.6	-72.4	-165	60	0	0	113.3	T161 I164 I199 S200 N201 I443	T161-M203 HydrophobicContact CG2-SD 4.07Å; T161-M203 VanDerWaalsContact OG1-CE 3.32Å; T161-M203 WeakPolarHBondContact OG1-CE 3.38Å; I164-M203 HydrophobicContact CD1-CG 3.79Å; I164-M203 HydrophobicContact CG2-CG 4.31Å; I199-M203 HydrophobicContact CG2-CG 4.35Å; I199-M203 HydrophobicContact CG2-SD 4Å; I199-M203 WeakPolarHBondContact O-CB 3.41Å; I199-M203 VanDerWaalsContact O-CG 3.29Å; I199-M203 WeakPolarHBondContact O-CG 3.37Å; I199-M203 PolarHBondContact O-N 2.87Å; S200-M203 PolarHBondContact O-N 3.5Å; N201-M203 PolarHBondContact O-N 3.41Å; N201-M203 VanDerWaalsContact O-N 3.16Å; M203-I443 HydrophobicContact CE-CD1 3.37Å; M203-I443 HydrophobicContact SD-CD1 3.84Å
204	F	92.7	Very high	92.1	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-112.3	-19.7	-160.8	-54.3	-55.9	0	0	0	115	A152 L153 S200 N201 F279 A280 M304 I443	A152-F204 HydrophobicContact CB-CD1 4.31Å; A152-F204 HydrophobicContact CB-CE1 4.3Å; L153-F204 HydrophobicContact CD2-CE1 3.74Å; L153-F204 HydrophobicContact CD2-CE2 4.22Å; L153-F204 HydrophobicContact CD2-CZ 3.35Å; S200-F204 WeakPolarHBondContact O-CB 3.49Å; S200-F204 WeakPolarHBondContact O-CD2 3.37Å; S200-F204 PolarHBondContact O-N 3.42Å; N201-F204 PolarHBondContact O-N 2.7Å; F204-F279 HydrophobicContact CB-CB 3.98Å; F204-F279 HydrophobicContact CB-CD1 4.39Å; F204-F279 HydrophobicContact CD1-CB 4.02Å; F204-F279 HydrophobicContact CG-CB 4.43Å; F204-A280 WeakPolarHBondContact O-CB 3.19Å; F204-A280 PolarHBondContact O-N 2.96Å; F204-M304 HydrophobicContact CB-CG 3.83Å; F204-M304 HydrophobicContact CD1-CE 4.3Å; F204-M304 HydrophobicContact CD1-CG 4.27Å; F204-M304 HydrophobicContact CD1-SD 4.25Å; F204-M304 HydrophobicContact CD2-CG 3.46Å; F204-M304 VanDerWaalsContact CD2-CG 3.46Å; F204-M304 HydrophobicContact CD2-SD 3.82Å; F204-M304 HydrophobicContact CE1-CE 4.44Å; F204-M304 HydrophobicContact CE1-SD 4.27Å; F204-M304 HydrophobicContact CE2-CG 4.11Å; F204-M304 HydrophobicContact CE2-SD 3.85Å; F204-M304 HydrophobicContact CG-CG 3.57Å; F204-M304 HydrophobicContact CG-SD 4.05Å; F204-M304 HydrophobicContact CZ-SD 4.09Å; F204-I443 HydrophobicContact CZ-CD1 4.07Å
205	L	93.4	Very high	92	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-45.8	-171.5	-175.2	61.4	0	0	0	112.7	N201 V207 L259 K263 A280 V301	N201-L205 PolarHBondContact O-N 3.33Å; L205-V207 HydrophobicContact CD1-CG1 4.31Å; L205-V207 HydrophobicContact CD1-CG2 4.48Å; L205-V207 HydrophobicContact CD2-CG2 3.55Å; L205-V207 HydrophobicContact CG-CB 4.38Å; L205-V207 HydrophobicContact CG-CG1 4.04Å; L205-V207 HydrophobicContact CG-CG2 3.61Å; L205-L259 HydrophobicContact CD2-CB 4.1Å; L205-L259 HydrophobicContact CD2-CD1 3.83Å; L205-K263 HydrophobicContact CD1-CB 4.41Å; L205-K263 HydrophobicContact CD1-CG 4.48Å; L205-K263 WeakPolarHBondContact O-CD 3.4Å; L205-K263 VanDerWaalsContact O-CE 3.3Å; L205-K263 WeakPolarHBondContact O-CE 3.13Å; L205-K263 PolarHBondContact O-NZ 2.91Å; L205-A280 HydrophobicContact CD1-CB 3.6Å; L205-V301 HydrophobicContact CD1-CG1 4.1Å
206	R	92.6	Very high	91.7	Very high	68 Å²	68	40.5 Å²	40.5	26%	0.257	20%	0.201	S	C	.	.			trans	56.6	48.2	177.1	-53.7	-176.6	-168	167.6	16	113.2	N201 R202 D274 D278	N201-R206 PolarHBondContact O-N 2.8Å; N201-R206 PolarHBondContact OD1-N 3.48Å; R202-R206 WeakPolarHBondContact O-CG 3.36Å; R206-D274 IonicContact NH1-OD2 2.65Å; R206-D274 PolarHBondContact NH1-OD2 2.81Å; R206-D278 IonicContact CZ-OD2 3.4Å; R206-D278 IonicContact NE-OD2 3.5Å
207	V	93.7	Very high	91.7	Very high	5 Å²	5	42 Å²	42	3%	0.03	21%	0.207	C	C	.	.			trans	-120.8	153.1	175.2	-58.1	0	0	0	0	110.8	N201 L205 L209 L259 T262 K263 I266	N201-V207 PolarHBondContact ND2-O 3.35Å; N201-V207 PolarHBondContact OD1-N 3.21Å; N201-V207 PolarHBondContact OD1-O 3.39Å; L205-V207 HydrophobicContact CD1-CG1 4.31Å; L205-V207 HydrophobicContact CD1-CG2 4.48Å; L205-V207 HydrophobicContact CD2-CG2 3.55Å; L205-V207 HydrophobicContact CG-CB 4.38Å; L205-V207 HydrophobicContact CG-CG1 4.04Å; L205-V207 HydrophobicContact CG-CG2 3.61Å; V207-L209 PolarHBondContact O-N 2.99Å; V207-L259 HydrophobicContact CG2-CB 4.23Å; V207-L259 HydrophobicContact CG2-CD2 3.89Å; V207-L259 HydrophobicContact CG2-CG 4.42Å; V207-T262 HydrophobicContact CB-CG2 4.4Å; V207-T262 HydrophobicContact CG1-CG2 4.42Å; V207-K263 HydrophobicContact CG1-CB 3.92Å; V207-K263 HydrophobicContact CG1-CD 4.05Å; V207-I266 HydrophobicContact CG1-CD1 4.15Å
208	P	91.1	Very high	91.7	Very high	109 Å²	109	42 Å²	42	71%	0.708	21%	0.207	S	C	*	.			trans	-59.6	132	168	-20.1	32.5	0	0	0	110.2
209	L	90.3	Very high	91.5	Very high	44 Å²	44	43.9 Å²	43.9	23%	0.23	22%	0.215	C	C	.	.			trans	-141.4	156.3	176.4	64.8	78.8	0	0	0	111.6	V197 N201 V207 E211 L214 L259	V197-L209 HydrophobicContact CG1-CD1 4.21Å; V197-L209 HydrophobicContact CG1-CD2 4.47Å; N201-L209 HydrophobicContact CB-CD2 3.54Å; N201-L209 WeakPolarHBondContact ND2-CD2 3.46Å; V207-L209 PolarHBondContact O-N 2.99Å; L209-E211 HydrophobicContact CD1-CB 4.18Å; L209-E211 HydrophobicContact CD1-CG 3.48Å; L209-E211 VanDerWaalsContact CD1-CG 3.48Å; L209-L214 HydrophobicContact CD1-CD2 4.22Å; L209-L214 HydrophobicContact CD2-CD2 3.9Å; L209-L259 HydrophobicContact CB-CD2 4.36Å
210	N	89.2	Confident	91.5	Very high	106 Å²	106	47.3 Å²	47.3	57%	0.567	23%	0.234	S	C	*	.			trans	-92	104	169.1	-176.9	-25.7	0	0	0	108.8	K212 D213 L214	N210-K212 PolarHBondContact O-N 3.46Å; N210-K212 PolarHBondContact OD1-N 2.96Å; N210-D213 HydrophobicContact CB-CB 4.25Å; N210-D213 PolarHBondContact OD1-N 3.36Å; N210-L214 VanDerWaalsContact O-CB 3.3Å; N210-L214 WeakPolarHBondContact O-CB 3.27Å; N210-L214 PolarHBondContact O-N 3.49Å
211	E	87.1	Confident	91.7	Very high	43 Å²	43	47.1 Å²	47.1	20%	0.201	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-44.7	-175.8	-65.9	169.8	-166.8	0	0	111.8	K171 H172 L209 L214 L215	K171-E211 IonicContact NZ-OE1 3.63Å; H172-E211 IonicContact NE2-OE1 3.63Å; H172-E211 IonicContact NE2-OE2 2.75Å; H172-E211 PolarHBondContact NE2-OE2 3.46Å; L209-E211 HydrophobicContact CD1-CB 4.18Å; L209-E211 HydrophobicContact CD1-CG 3.48Å; L209-E211 VanDerWaalsContact CD1-CG 3.48Å; E211-L214 PolarHBondContact O-N 3.38Å; E211-L215 WeakPolarHBondContact O-CB 3.33Å; E211-L215 VanDerWaalsContact O-CG 3.22Å; E211-L215 WeakPolarHBondContact O-CG 3.36Å; E211-L215 PolarHBondContact O-N 3.34Å
212	K	85.7	Confident	91.7	Very high	125 Å²	125	46.7 Å²	46.7	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-47.2	-176.5	-67.5	-173.4	178	-175.3	0	112.2	N210 L215 M216	N210-K212 PolarHBondContact O-N 3.46Å; N210-K212 PolarHBondContact OD1-N 2.96Å; K212-L215 PolarHBondContact O-N 2.85Å; K212-M216 PolarHBondContact O-N 2.93Å
213	D	89.1	Confident	91.8	Very high	62 Å²	62	45.9 Å²	45.9	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-42.7	178.1	-178	63.2	0	0	0	111.5	N210 L215 M216 K217	N210-D213 HydrophobicContact CB-CB 4.25Å; N210-D213 PolarHBondContact OD1-N 3.36Å; D213-L215 PolarHBondContact O-N 2.81Å; D213-M216 PolarHBondContact O-N 3.45Å; D213-K217 WeakPolarHBondContact O-CG 3.2Å; D213-K217 PolarHBondContact O-N 2.93Å; D213-K217 WeakPolarHBondContact OD1-CE 3.12Å; D213-K217 WeakPolarHBondContact OD2-CE 3.39Å
214	L	91.8	Very high	92	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-43.9	178.5	-179.4	58.2	0	0	0	111.5	V197 L209 N210 E211 M216 K217 I218 L252 V255 M256 V305	V197-L214 HydrophobicContact CG1-CD2 3.81Å; L209-L214 HydrophobicContact CD1-CD2 4.22Å; L209-L214 HydrophobicContact CD2-CD2 3.9Å; N210-L214 VanDerWaalsContact O-CB 3.3Å; N210-L214 WeakPolarHBondContact O-CB 3.27Å; N210-L214 PolarHBondContact O-N 3.49Å; E211-L214 PolarHBondContact O-N 3.38Å; L214-M216 PolarHBondContact O-N 2.82Å; L214-K217 PolarHBondContact O-N 3.49Å; L214-K217 VanDerWaalsContact O-N 3.17Å; L214-I218 HydrophobicContact CD1-CD1 4.08Å; L214-I218 HydrophobicContact CD1-CG1 4.08Å; L214-I218 HydrophobicContact CD2-CD1 4.43Å; L214-I218 HydrophobicContact CG-CD1 3.81Å; L214-I218 HydrophobicContact CG-CG1 4.25Å; L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.27Å; L214-I218 PolarHBondContact O-N 3.49Å; L214-L252 HydrophobicContact CD1-CD1 3.71Å; L214-V255 HydrophobicContact CD1-CG1 4.24Å; L214-M256 HydrophobicContact CD1-CE 3.62Å; L214-V305 HydrophobicContact CD2-CG1 4.22Å
215	L	90.6	Very high	92.2	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-44.8	-180	-76.7	178	0	0	0	113.4	R193 A194 V197 E211 K212 D213 K217 I218 H219	R193-L215 HydrophobicContact CB-CD1 4.04Å; R193-L215 HydrophobicContact CB-CD2 3.65Å; R193-L215 HydrophobicContact CB-CG 4.49Å; R193-L215 HydrophobicContact CG-CD2 4.47Å; A194-L215 HydrophobicContact CB-CD1 4.13Å; V197-L215 HydrophobicContact CB-CD2 4.41Å; V197-L215 HydrophobicContact CG2-CD2 3.42Å; V197-L215 VanDerWaalsContact CG2-CD2 3.42Å; V197-L215 HydrophobicContact CG2-CG 4.3Å; E211-L215 WeakPolarHBondContact O-CB 3.33Å; E211-L215 VanDerWaalsContact O-CG 3.22Å; E211-L215 WeakPolarHBondContact O-CG 3.36Å; E211-L215 PolarHBondContact O-N 3.34Å; K212-L215 PolarHBondContact O-N 2.85Å; D213-L215 PolarHBondContact O-N 2.81Å; L215-K217 VanDerWaalsContact C-N 3.28Å; L215-K217 PolarHBondContact O-N 2.97Å; L215-I218 PolarHBondContact O-N 3.28Å; L215-H219 PolarHBondContact O-N 3.39Å
216	M	90.8	Very high	92.2	Very high	116 Å²	116	46.3 Å²	46.3	57%	0.571	23%	0.231	S	C	*	.	H	α-helix	trans	-60.6	-40.7	176.6	-69.2	-169.7	-65.2	0	0	111.6	K212 D213 L214 H219 N220	K212-M216 PolarHBondContact O-N 2.93Å; D213-M216 PolarHBondContact O-N 3.45Å; L214-M216 PolarHBondContact O-N 2.82Å; M216-H219 PolarHBondContact O-N 3.45Å; M216-N220 WeakPolarHBondContact O-CB 3.26Å; M216-N220 VanDerWaalsContact O-CG 3.27Å; M216-N220 PolarHBondContact O-N 3.06Å; M216-N220 PolarHBondContact O-ND2 3.22Å
217	K	94.6	Very high	92.3	Very high	32 Å²	32	44.7 Å²	44.7	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-37	178.7	-68.2	173.5	-176.2	-70.9	0	112.3	D213 L214 L215 N220 Y221 E251 L252 V255	D213-K217 WeakPolarHBondContact O-CG 3.2Å; D213-K217 PolarHBondContact O-N 2.93Å; D213-K217 WeakPolarHBondContact OD1-CE 3.12Å; D213-K217 WeakPolarHBondContact OD2-CE 3.39Å; L214-K217 PolarHBondContact O-N 3.49Å; L214-K217 VanDerWaalsContact O-N 3.17Å; L215-K217 VanDerWaalsContact C-N 3.28Å; L215-K217 PolarHBondContact O-N 2.97Å; K217-N220 PolarHBondContact O-N 3.27Å; K217-Y221 WeakPolarHBondContact O-CB 3.3Å; K217-Y221 PolarHBondContact O-N 3.43Å; K217-E251 IonicContact NZ-OE2 3.91Å; K217-E251 PolarHBondContact NZ-OE2 2.8Å; K217-L252 HydrophobicContact CB-CB 4.36Å; K217-L252 HydrophobicContact CB-CD1 3.98Å; K217-V255 HydrophobicContact CD-CG2 3.63Å
218	I	94.2	Very high	92.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-50	173.3	-67.9	175.7	0	0	0	110.1	V197 L214 L215 N220 Y221 F222 L252 V305 I306 P309	V197-I218 HydrophobicContact CG2-CD1 4.1Å; L214-I218 HydrophobicContact CD1-CD1 4.08Å; L214-I218 HydrophobicContact CD1-CG1 4.08Å; L214-I218 HydrophobicContact CD2-CD1 4.43Å; L214-I218 HydrophobicContact CG-CD1 3.81Å; L214-I218 HydrophobicContact CG-CG1 4.25Å; L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.27Å; L214-I218 PolarHBondContact O-N 3.49Å; L215-I218 PolarHBondContact O-N 3.28Å; I218-N220 PolarHBondContact O-N 3.39Å; I218-Y221 WeakPolarHBondContact O-CB 3.42Å; I218-Y221 PolarHBondContact O-N 3.4Å; I218-Y221 VanDerWaalsContact O-N 3.15Å; I218-F222 PolarHBondContact O-N 3.12Å; I218-L252 HydrophobicContact CG1-CD1 4.07Å; I218-L252 HydrophobicContact CG1-CD2 4.32Å; I218-V305 HydrophobicContact CD1-CG1 3.96Å; I218-I306 HydrophobicContact CG1-CG2 4.08Å; I218-I306 HydrophobicContact CG2-CB 4.19Å; I218-I306 HydrophobicContact CG2-CG2 4.04Å; I218-P309 HydrophobicContact CD1-CG 4.2Å; I218-P309 HydrophobicContact CG2-CB 4.24Å
219	H	91.4	Very high	92.7	Very high	52 Å²	52	39.2 Å²	39.2	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-48.2	177.8	179.2	81.5	0	0	0	111.9	L215 M216 Y221 F222 E223 E484	L215-H219 PolarHBondContact O-N 3.39Å; M216-H219 PolarHBondContact O-N 3.45Å; H219-Y221 VanDerWaalsContact C-N 3.3Å; H219-Y221 PolarHBondContact O-N 3.38Å; H219-F222 PolarHBondContact O-N 2.66Å; H219-E223 PolarHBondContact O-N 3.14Å; H219-E484 IonicContact CE1-OE1 3.92Å; H219-E484 PolarHBondContact CE1-OE1 3.28Å; H219-E484 IonicContact ND1-OE1 2.67Å; H219-E484 PolarHBondContact ND1-OE1 2.86Å
220	N	94	Very high	92.9	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-34.5	177.9	-73.3	-28.5	0	0	0	113.2	M216 K217 I218 T224 A248	M216-N220 WeakPolarHBondContact O-CB 3.26Å; M216-N220 VanDerWaalsContact O-CG 3.27Å; M216-N220 PolarHBondContact O-N 3.06Å; M216-N220 PolarHBondContact O-ND2 3.22Å; K217-N220 PolarHBondContact O-N 3.27Å; I218-N220 PolarHBondContact O-N 3.39Å; N220-T224 VanDerWaalsContact O-CB 3.31Å; N220-T224 WeakPolarHBondContact O-CB 3.17Å; N220-T224 PolarHBondContact O-N 3.21Å; N220-T224 VanDerWaalsContact O-N 3.07Å; N220-T224 PolarHBondContact O-OG1 3.24Å; N220-A248 HydrophobicContact CB-CB 4.19Å
221	Y	96.4	Very high	93.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-45	173.4	179.4	-84.5	0	0	0	111.2	V126 M128 K217 I218 H219 T224 W225 A249 L252 Q299 L302 I306	V126-Y221 HydrophobicContact CB-CE2 4.03Å; V126-Y221 WeakPolarHBondContact O-CE2 3.3Å; V126-Y221 PolarHBondContact O-OH 2.7Å; M128-Y221 HydrophobicContact CE-CE1 4Å; M128-Y221 WeakPolarHBondContact CE-OH 3.33Å; K217-Y221 WeakPolarHBondContact O-CB 3.3Å; K217-Y221 PolarHBondContact O-N 3.43Å; I218-Y221 WeakPolarHBondContact O-CB 3.42Å; I218-Y221 PolarHBondContact O-N 3.4Å; I218-Y221 VanDerWaalsContact O-N 3.15Å; H219-Y221 VanDerWaalsContact C-N 3.3Å; H219-Y221 PolarHBondContact O-N 3.38Å; Y221-T224 WeakPolarHBondContact O-CB 3.29Å; Y221-T224 PolarHBondContact O-N 2.93Å; Y221-W225 WeakPolarHBondContact O-CB 3.43Å; Y221-W225 PolarHBondContact O-N 3.31Å; Y221-A249 HydrophobicContact CD2-CB 4.29Å; Y221-A249 HydrophobicContact CE2-CB 4.48Å; Y221-L252 VanDerWaalsContact CB-CD2 3.46Å; Y221-L252 HydrophobicContact CD1-CD2 4.12Å; Y221-L252 HydrophobicContact CD2-CB 4.18Å; Y221-L252 HydrophobicContact CD2-CD2 3.77Å; Y221-L252 HydrophobicContact CG-CD2 3.52Å; Y221-Q299 PolarHBondContact OH-NE2 3.48Å; Y221-L302 HydrophobicContact CD1-CD2 4.48Å; Y221-L302 HydrophobicContact CE1-CD2 3.86Å; Y221-L302 HydrophobicContact CE2-CD1 4.1Å; Y221-L302 HydrophobicContact CE2-CD2 4.05Å; Y221-I306 HydrophobicContact CD1-CD1 3.94Å; Y221-I306 HydrophobicContact CE1-CD1 3.51Å
222	F	94.6	Very high	93.4	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-47.4	178	-173.7	-85.4	0	0	0	111.8	I218 H219 T224 W225 Q226 D310 L478 S479	I218-F222 PolarHBondContact O-N 3.12Å; H219-F222 PolarHBondContact O-N 2.66Å; F222-T224 PolarHBondContact O-N 3.3Å; F222-W225 AromaticContact CD2-CE3 3.56Å; F222-W225 HydrophobicContact CD2-CE3 3.56Å; F222-W225 AromaticContact CD2-CZ3 3.71Å; F222-W225 HydrophobicContact CD2-CZ3 3.71Å; F222-W225 AromaticContact CE2-CE3 3.68Å; F222-W225 HydrophobicContact CE2-CE3 3.68Å; F222-W225 AromaticContact CE2-CZ3 3.53Å; F222-W225 HydrophobicContact CE2-CZ3 3.53Å; F222-W225 HydrophobicContact CG-CE3 4.44Å; F222-W225 WeakPolarHBondContact O-CB 3.47Å; F222-W225 PolarHBondContact O-N 2.71Å; F222-W225 VanDerWaalsContact O-N 3.09Å; F222-Q226 HydrophobicContact CE1-CB 4.31Å; F222-Q226 WeakPolarHBondContact O-CB 3.44Å; F222-Q226 PolarHBondContact O-N 3.27Å; F222-D310 WeakPolarHBondContact CB-OD2 3.12Å; F222-D310 HydrophobicContact CD2-CB 3.67Å; F222-D310 VanDerWaalsContact CD2-OD2 3.28Å; F222-D310 WeakPolarHBondContact CD2-OD2 3.29Å; F222-D310 HydrophobicContact CE2-CB 4.01Å; F222-D310 HydrophobicContact CG-CB 4.25Å; F222-L478 HydrophobicContact CE2-CD2 4.32Å; F222-L478 HydrophobicContact CZ-CB 4.38Å; F222-L478 HydrophobicContact CZ-CD2 4.08Å; F222-L478 HydrophobicContact CZ-CG 4.35Å; F222-S479 WeakPolarHBondContact CZ-OG 3.31Å
223	E	93.2	Very high	93.6	Very high	67 Å²	67	32 Å²	32	31%	0.313	16%	0.162	S	C	.	.	H	α-helix	trans	-58.6	-39.2	175.4	-79.4	-60.9	109	0	0	111.7	H219 Q226 T227	H219-E223 PolarHBondContact O-N 3.14Å; E223-Q226 PolarHBondContact OE1-NE2 2.94Å; E223-T227 VanDerWaalsContact O-CB 3.26Å; E223-T227 WeakPolarHBondContact O-CB 3.17Å; E223-T227 PolarHBondContact O-N 3.17Å; E223-T227 PolarHBondContact O-OG1 3Å
224	T	95.7	Very high	93.7	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-48.5	173.5	-69.3	0	0	0	0	111.6	V126 N220 Y221 F222 T227 V228 H245 A249	V126-T224 HydrophobicContact CG1-CG2 3.95Å; N220-T224 VanDerWaalsContact O-CB 3.31Å; N220-T224 WeakPolarHBondContact O-CB 3.17Å; N220-T224 PolarHBondContact O-N 3.21Å; N220-T224 VanDerWaalsContact O-N 3.07Å; N220-T224 PolarHBondContact O-OG1 3.24Å; Y221-T224 WeakPolarHBondContact O-CB 3.29Å; Y221-T224 PolarHBondContact O-N 2.93Å; F222-T224 PolarHBondContact O-N 3.3Å; T224-T227 PolarHBondContact O-N 3.18Å; T224-V228 HydrophobicContact CG2-CG1 4.29Å; T224-V228 WeakPolarHBondContact O-CG1 3.41Å; T224-V228 VanDerWaalsContact O-CG2 3.29Å; T224-V228 WeakPolarHBondContact O-CG2 3.27Å; T224-V228 PolarHBondContact O-N 3.18Å; T224-H245 HydrophobicContact CG2-CB 3.7Å; T224-H245 WeakPolarHBondContact CG2-O 3.09Å; T224-H245 PolarHBondContact OG1-ND1 2.7Å; T224-A249 HydrophobicContact CG2-CB 4.22Å
225	W	96.4	Very high	93.7	Very high	25 Å²	25	34.9 Å²	34.9	10%	0.095	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-52.8	178.8	172	31.2	0	0	0	111.8	V126 M128 I134 F135 Y221 F222 T227 V228 L229 L478	V126-W225 HydrophobicContact CG1-CB 4.11Å; M128-W225 HydrophobicContact CE-CD2 4.06Å; M128-W225 HydrophobicContact CE-CE3 4.39Å; M128-W225 HydrophobicContact CE-CG 4.47Å; M128-W225 HydrophobicContact CE-CH2 4.41Å; M128-W225 HydrophobicContact CE-CZ2 4.04Å; M128-W225 HydrophobicContact SD-CZ2 4.15Å; I134-W225 HydrophobicContact CG2-CH2 3.92Å; I134-W225 HydrophobicContact CG2-CZ2 3.76Å; F135-W225 AromaticContact CD2-CE2 3.97Å; F135-W225 AromaticContact CD2-CZ2 3.57Å; F135-W225 HydrophobicContact CD2-CZ2 3.57Å; F135-W225 AromaticContact CD2-NE1 3.76Å; F135-W225 AromaticContact CE2-CE2 3.89Å; F135-W225 AromaticContact CE2-CZ2 3.39Å; F135-W225 HydrophobicContact CE2-CZ2 3.39Å; F135-W225 AromaticContact CE2-NE1 3.8Å; Y221-W225 WeakPolarHBondContact O-CB 3.43Å; Y221-W225 PolarHBondContact O-N 3.31Å; F222-W225 AromaticContact CD2-CE3 3.56Å; F222-W225 HydrophobicContact CD2-CE3 3.56Å; F222-W225 AromaticContact CD2-CZ3 3.71Å; F222-W225 HydrophobicContact CD2-CZ3 3.71Å; F222-W225 AromaticContact CE2-CE3 3.68Å; F222-W225 HydrophobicContact CE2-CE3 3.68Å; F222-W225 AromaticContact CE2-CZ3 3.53Å; F222-W225 HydrophobicContact CE2-CZ3 3.53Å; F222-W225 HydrophobicContact CG-CE3 4.44Å; F222-W225 WeakPolarHBondContact O-CB 3.47Å; F222-W225 PolarHBondContact O-N 2.71Å; F222-W225 VanDerWaalsContact O-N 3.09Å; W225-T227 VanDerWaalsContact C-N 3.29Å; W225-T227 PolarHBondContact O-N 2.92Å; W225-V228 PolarHBondContact O-N 3.45Å; W225-L229 VanDerWaalsContact O-CB 3.26Å; W225-L229 WeakPolarHBondContact O-CB 3.45Å; W225-L229 PolarHBondContact O-N 3.07Å; W225-L478 HydrophobicContact CD2-CD2 3.61Å; W225-L478 HydrophobicContact CE3-CD2 3.85Å; W225-L478 HydrophobicContact CG-CD2 4.13Å; W225-L478 HydrophobicContact CH2-CD2 4.24Å; W225-L478 HydrophobicContact CZ2-CD2 4.04Å; W225-L478 HydrophobicContact CZ3-CD2 4.14Å
226	Q	94.4	Very high	93.7	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-52.3	-49.5	174.2	174.4	166.8	-89.5	0	0	110.9	F222 E223 V228 D477 L478	F222-Q226 HydrophobicContact CE1-CB 4.31Å; F222-Q226 WeakPolarHBondContact O-CB 3.44Å; F222-Q226 PolarHBondContact O-N 3.27Å; E223-Q226 PolarHBondContact OE1-NE2 2.94Å; Q226-V228 PolarHBondContact O-N 3.16Å; Q226-D477 HydrophobicContact CG-CB 4.05Å; Q226-D477 WeakPolarHBondContact CG-OD2 3.35Å; Q226-L478 HydrophobicContact CB-CB 3.95Å; Q226-L478 HydrophobicContact CB-CD2 4.22Å; Q226-L478 HydrophobicContact CG-CB 3.78Å
227	T	94.1	Very high	93.7	Very high	34 Å²	34	38.4 Å²	38.4	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-48.1	-177.7	-61.3	0	0	0	0	112.3	E223 T224 W225 K231 F235	E223-T227 VanDerWaalsContact O-CB 3.26Å; E223-T227 WeakPolarHBondContact O-CB 3.17Å; E223-T227 PolarHBondContact O-N 3.17Å; E223-T227 PolarHBondContact O-OG1 3Å; T224-T227 PolarHBondContact O-N 3.18Å; W225-T227 VanDerWaalsContact C-N 3.29Å; W225-T227 PolarHBondContact O-N 2.92Å; T227-K231 WeakPolarHBondContact O-CE 3.3Å; T227-K231 WeakPolarHBondContact O-CG 3.09Å; T227-F235 HydrophobicContact CG2-CZ 4.35Å
228	V	95.9	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-85.5	-15.6	-170.6	-56.1	0	0	0	0	113.8	G122 V126 T224 W225 Q226 I230 K231 F235 F236 H245	G122-V228 WeakPolarHBondContact O-CG2 3.15Å; V126-V228 HydrophobicContact CG1-CG2 4.03Å; T224-V228 HydrophobicContact CG2-CG1 4.29Å; T224-V228 WeakPolarHBondContact O-CG1 3.41Å; T224-V228 VanDerWaalsContact O-CG2 3.29Å; T224-V228 WeakPolarHBondContact O-CG2 3.27Å; T224-V228 PolarHBondContact O-N 3.18Å; W225-V228 PolarHBondContact O-N 3.45Å; Q226-V228 PolarHBondContact O-N 3.16Å; V228-I230 VanDerWaalsContact C-N 3.27Å; V228-I230 PolarHBondContact O-N 3.03Å; V228-K231 PolarHBondContact O-N 2.93Å; V228-F235 HydrophobicContact CG1-CE1 4.32Å; V228-F236 HydrophobicContact CB-CE1 4.08Å; V228-F236 HydrophobicContact CB-CZ 4.05Å; V228-F236 HydrophobicContact CG1-CE1 4.29Å; V228-H245 HydrophobicContact CG1-CB 4.18Å
229	L	96.8	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39	-170.6	-179.6	62.8	0	0	0	113.4	I71 G118 S119 L123 F135 W225 M375 L478	I71-L229 HydrophobicContact CD1-CD2 4.25Å; G118-L229 CarbonylContact C-O 3.4Å; G118-L229 WeakPolarHBondContact CA-O 3.34Å; S119-L229 WeakPolarHBondContact CB-O 3.13Å; S119-L229 PolarHBondContact N-O 3.15Å; L123-L229 HydrophobicContact CD2-CD1 3.84Å; F135-L229 HydrophobicContact CD1-CD1 3.91Å; F135-L229 HydrophobicContact CE1-CD1 3.6Å; F135-L229 HydrophobicContact CE1-CD2 4.17Å; F135-L229 HydrophobicContact CE1-CG 4.46Å; F135-L229 HydrophobicContact CE2-CD1 4.47Å; F135-L229 HydrophobicContact CG-CD1 4.45Å; F135-L229 HydrophobicContact CZ-CD1 3.92Å; F135-L229 HydrophobicContact CZ-CD2 3.81Å; W225-L229 VanDerWaalsContact O-CB 3.26Å; W225-L229 WeakPolarHBondContact O-CB 3.45Å; W225-L229 PolarHBondContact O-N 3.07Å; L229-M375 HydrophobicContact CD2-CE 4.27Å; L229-M375 HydrophobicContact CD2-SD 3.9Å; L229-L478 HydrophobicContact CD2-CD1 3.5Å; L229-L478 HydrophobicContact CD2-CD2 4.4Å
230	I	95.1	Very high	92.7	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.046	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	20.5	-178.4	62.2	158.4	0	0	0	112.6	Y63 F66 I67 I71 I90 V228	Y63-I230 WeakPolarHBondContact CE2-O 3.4Å; Y63-I230 PolarHBondContact OH-O 2.66Å; F66-I230 HydrophobicContact CB-CD1 3.9Å; I67-I230 HydrophobicContact CD1-CD1 3.88Å; I67-I230 HydrophobicContact CD1-CG1 3.94Å; I71-I230 HydrophobicContact CD1-CD1 4.18Å; I71-I230 HydrophobicContact CD1-CG1 4.35Å; I71-I230 HydrophobicContact CD1-CG2 4.01Å; I71-I230 HydrophobicContact CG1-CD1 3.79Å; I71-I230 HydrophobicContact CG1-CG1 4.49Å; I90-I230 HydrophobicContact CG2-CB 4.2Å; I90-I230 HydrophobicContact CG2-CG2 4.26Å; V228-I230 VanDerWaalsContact C-N 3.27Å; V228-I230 PolarHBondContact O-N 3.03Å
231	K	94.1	Very high	92.3	Very high	40 Å²	40	48.9 Å²	48.9	17%	0.174	23%	0.232	C	C	.	.			trans	-75.6	146.5	180	-70.2	-75.9	175.8	-171	0	111.6	Y63 I67 S119 T227 V228 F235 F236	Y63-K231 VanDerWaalsContact OH-C 3.31Å; I67-K231 HydrophobicContact CD1-CD 4.13Å; S119-K231 PolarHBondContact OG-O 3.32Å; T227-K231 WeakPolarHBondContact O-CE 3.3Å; T227-K231 WeakPolarHBondContact O-CG 3.09Å; V228-K231 PolarHBondContact O-N 2.93Å; K231-F235 HydrophobicContact CB-CB 3.91Å; K231-F235 HydrophobicContact CB-CD1 3.95Å; K231-F235 HydrophobicContact CB-CG 3.88Å; K231-F235 HydrophobicContact CD-CD2 3.86Å; K231-F235 HydrophobicContact CD-CE2 4.09Å; K231-F235 HydrophobicContact CD-CG 4.12Å; K231-F235 HydrophobicContact CG-CD1 4.11Å; K231-F235 HydrophobicContact CG-CD2 4.24Å; K231-F235 HydrophobicContact CG-CE1 4.36Å; K231-F235 HydrophobicContact CG-CE2 4.45Å; K231-F235 HydrophobicContact CG-CG 4.05Å; K231-F236 HydrophobicContact CB-CE2 3.9Å; K231-F236 HydrophobicContact CB-CZ 4.11Å
232	P	92.9	Very high	92	Very high	36 Å²	36	50.7 Å²	50.7	23%	0.234	24%	0.239	C	C	.	.			trans	-72	156.8	177	29.6	-34.7	0	0	0	111.1	Y63 I234 F235 F236	Y63-P232 HydrophobicContact CE1-CB 4.09Å; Y63-P232 WeakPolarHBondContact OH-CA 3.48Å; Y63-P232 VanDerWaalsContact OH-CD 3.31Å; Y63-P232 WeakPolarHBondContact OH-CD 3.32Å; P232-I234 HydrophobicContact CB-CG2 4.13Å; P232-I234 HydrophobicContact CG-CG2 3.88Å; P232-I234 PolarHBondContact O-N 2.95Å; P232-F235 HydrophobicContact CG-CB 4.5Å; P232-F235 WeakPolarHBondContact O-CB 3.35Å; P232-F235 PolarHBondContact O-N 3.47Å; P232-F236 WeakPolarHBondContact O-CD2 3.33Å
233	D	90.4	Very high	91.8	Very high	80 Å²	80	54.5 Å²	54.5	43%	0.428	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.1	-178.3	-73.2	-28.3	0	0	0	114.3	R121 F235 F236	R121-D233 PolarHBondContact NH1-O 3.08Å; D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 2.98Å; D233-F236 PolarHBondContact O-N 3.43Å
234	I	90.2	Very high	91.8	Very high	114 Å²	114	58.6 Å²	58.6	59%	0.585	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.1	176	-164.1	155.9	0	0	0	112.7	P232 F236 R237 M238	P232-I234 HydrophobicContact CB-CG2 4.13Å; P232-I234 HydrophobicContact CG-CG2 3.88Å; P232-I234 PolarHBondContact O-N 2.95Å; I234-F236 VanDerWaalsContact C-N 3.28Å; I234-F236 PolarHBondContact O-N 3.31Å; I234-R237 WeakPolarHBondContact O-CB 3.18Å; I234-R237 PolarHBondContact O-N 3.42Å; I234-R237 VanDerWaalsContact O-N 3.09Å; I234-M238 PolarHBondContact O-N 3.15Å
235	F	91.7	Very high	91.6	Very high	14 Å²	14	59.5 Å²	59.5	6%	0.061	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.3	-43.6	174.4	179.6	-92.5	0	0	0	111.3	T227 V228 K231 P232 D233 R237 M238 L241 H245	T227-F235 HydrophobicContact CG2-CZ 4.35Å; V228-F235 HydrophobicContact CG1-CE1 4.32Å; K231-F235 HydrophobicContact CB-CB 3.91Å; K231-F235 HydrophobicContact CB-CD1 3.95Å; K231-F235 HydrophobicContact CB-CG 3.88Å; K231-F235 HydrophobicContact CD-CD2 3.86Å; K231-F235 HydrophobicContact CD-CE2 4.09Å; K231-F235 HydrophobicContact CD-CG 4.12Å; K231-F235 HydrophobicContact CG-CD1 4.11Å; K231-F235 HydrophobicContact CG-CD2 4.24Å; K231-F235 HydrophobicContact CG-CE1 4.36Å; K231-F235 HydrophobicContact CG-CE2 4.45Å; K231-F235 HydrophobicContact CG-CG 4.05Å; P232-F235 HydrophobicContact CG-CB 4.5Å; P232-F235 WeakPolarHBondContact O-CB 3.35Å; P232-F235 PolarHBondContact O-N 3.47Å; D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 2.98Å; F235-R237 PolarHBondContact O-N 3.49Å; F235-M238 HydrophobicContact CB-CE 4.42Å; F235-M238 HydrophobicContact CD2-CE 4.23Å; F235-M238 WeakPolarHBondContact O-CB 3.44Å; F235-M238 PolarHBondContact O-N 3.41Å; F235-M238 VanDerWaalsContact O-N 3.1Å; F235-L241 HydrophobicContact CD2-CD2 3.83Å; F235-L241 HydrophobicContact CD2-CG 4.49Å; F235-L241 HydrophobicContact CE2-CD2 3.28Å; F235-L241 HydrophobicContact CE2-CG 3.64Å; F235-L241 HydrophobicContact CZ-CD2 4.01Å; F235-L241 HydrophobicContact CZ-CG 3.83Å; F235-H245 AromaticContact CZ-CD2 3.91Å
236	F	91.7	Very high	91.5	Very high	7 Å²	7	63 Å²	63	3%	0.031	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-78.1	-0.2	-179.5	-55.5	-87.6	0	0	0	113.6	S119 R121 G122 V228 K231 P232 D233 I234 Y242	S119-F236 WeakPolarHBondContact OG-CE2 3.14Å; R121-F236 HydrophobicContact CB-CB 4.42Å; R121-F236 HydrophobicContact CB-CD1 3.91Å; R121-F236 HydrophobicContact CB-CD2 3.84Å; R121-F236 HydrophobicContact CB-CE1 4.08Å; R121-F236 HydrophobicContact CB-CE2 4Å; R121-F236 HydrophobicContact CB-CG 3.8Å; R121-F236 HydrophobicContact CB-CZ 4.12Å; R121-F236 VanDerWaalsContact NH1-CB 3.31Å; R121-F236 PolarHBondContact NH2-O 3.43Å; G122-F236 VanDerWaalsContact CA-CZ 3.47Å; G122-F236 VanDerWaalsContact N-CZ 3.31Å; V228-F236 HydrophobicContact CB-CE1 4.08Å; V228-F236 HydrophobicContact CB-CZ 4.05Å; V228-F236 HydrophobicContact CG1-CE1 4.29Å; K231-F236 HydrophobicContact CB-CE2 3.9Å; K231-F236 HydrophobicContact CB-CZ 4.11Å; P232-F236 WeakPolarHBondContact O-CD2 3.33Å; D233-F236 PolarHBondContact O-N 3.43Å; I234-F236 VanDerWaalsContact C-N 3.28Å; I234-F236 PolarHBondContact O-N 3.31Å; F236-Y242 AromaticContact CD1-CD2 3.56Å; F236-Y242 HydrophobicContact CD1-CD2 3.56Å; F236-Y242 AromaticContact CD1-CE2 3.58Å; F236-Y242 HydrophobicContact CD1-CE2 3.58Å; F236-Y242 HydrophobicContact CD1-CG 4.29Å; F236-Y242 HydrophobicContact CE1-CD2 4.17Å; F236-Y242 HydrophobicContact CE1-CE2 4.08Å
237	R	89.5	Confident	91.6	Very high	199 Å²	199	70.5 Å²	70.5	75%	0.751	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-91.2	-22.1	167.2	-62.6	-177.1	-177.4	-173.7	0.1	111.6	I234 F235 G239	I234-R237 WeakPolarHBondContact O-CB 3.18Å; I234-R237 PolarHBondContact O-N 3.42Å; I234-R237 VanDerWaalsContact O-N 3.09Å; F235-R237 PolarHBondContact O-N 3.49Å; R237-G239 PolarHBondContact O-N 3.33Å
238	M	89.9	Confident	91.6	Very high	73 Å²	73	69.7 Å²	69.7	36%	0.36	32%	0.32	S	S	.	.			trans	-78.8	88.8	176.5	-64.8	-174.4	-76.4	0	0	110.1	I234 F235 W240 L241 Y242	I234-M238 PolarHBondContact O-N 3.15Å; F235-M238 HydrophobicContact CB-CE 4.42Å; F235-M238 HydrophobicContact CD2-CE 4.23Å; F235-M238 WeakPolarHBondContact O-CB 3.44Å; F235-M238 PolarHBondContact O-N 3.41Å; F235-M238 VanDerWaalsContact O-N 3.1Å; M238-W240 PolarHBondContact O-N 3Å; M238-L241 HydrophobicContact CB-CB 4.44Å; M238-L241 HydrophobicContact CE-CD2 4.37Å; M238-L241 PolarHBondContact O-N 3.3Å; M238-Y242 PolarHBondContact O-N 3Å
239	G	84.3	Confident	91.6	Very high	34 Å²	34	69.7 Å²	69.7	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-51.7	-47.3	-170.4	0	0	0	0	0	114.5	R237 L241 N243	R237-G239 PolarHBondContact O-N 3.33Å; G239-L241 VanDerWaalsContact C-N 3.33Å; G239-L241 PolarHBondContact O-N 2.96Å; G239-N243 WeakPolarHBondContact O-CB 3.28Å; G239-N243 PolarHBondContact O-N 3.19Å; G239-N243 PolarHBondContact O-ND2 3.44Å; G239-N243 VanDerWaalsContact O-ND2 3.08Å; G239-N243 PolarHBondContact O-OD1 2.92Å
240	W	85.5	Confident	91.5	Very high	210 Å²	210	73.5 Å²	73.5	80%	0.795	34%	0.338	S	S	*	.	H	α-helix	trans	-62.3	-39.9	-177.4	75.3	72.8	0	0	0	112.7	M238	M238-W240 PolarHBondContact O-N 3Å
241	L	84.8	Confident	91.6	Very high	61 Å²	61	76.4 Å²	76.4	32%	0.319	35%	0.351	S	S	.	.	H	α-helix	trans	-76.9	-44.4	-174	-169.5	58.8	0	0	0	110.1	F235 M238 G239 H245	F235-L241 HydrophobicContact CD2-CD2 3.83Å; F235-L241 HydrophobicContact CD2-CG 4.49Å; F235-L241 HydrophobicContact CE2-CD2 3.28Å; F235-L241 HydrophobicContact CE2-CG 3.64Å; F235-L241 HydrophobicContact CZ-CD2 4.01Å; F235-L241 HydrophobicContact CZ-CG 3.83Å; M238-L241 HydrophobicContact CB-CB 4.44Å; M238-L241 HydrophobicContact CE-CD2 4.37Å; M238-L241 PolarHBondContact O-N 3.3Å; G239-L241 VanDerWaalsContact C-N 3.33Å; G239-L241 PolarHBondContact O-N 2.96Å; L241-H245 PolarHBondContact O-CD2 3.02Å
242	Y	90.2	Very high	91.7	Very high	39 Å²	39	74.5 Å²	74.5	15%	0.153	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-39.9	175.4	173.8	-124.8	0	0	0	112.5	C125 F236 M238 K244 H245 K246	C125-Y242 HydrophobicContact CB-CE2 3.92Å; F236-Y242 AromaticContact CD1-CD2 3.56Å; F236-Y242 HydrophobicContact CD1-CD2 3.56Å; F236-Y242 AromaticContact CD1-CE2 3.58Å; F236-Y242 HydrophobicContact CD1-CE2 3.58Å; F236-Y242 HydrophobicContact CD1-CG 4.29Å; F236-Y242 HydrophobicContact CE1-CD2 4.17Å; F236-Y242 HydrophobicContact CE1-CE2 4.08Å; M238-Y242 PolarHBondContact O-N 3Å; Y242-K244 VanDerWaalsContact C-N 3.28Å; Y242-K244 PolarHBondContact O-N 2.93Å; Y242-H245 PolarHBondContact O-N 3.48Å; Y242-K246 HydrophobicContact CE1-CD 4.06Å; Y242-K246 HydrophobicContact CE2-CB 4.28Å; Y242-K246 WeakPolarHBondContact O-CB 3.38Å; Y242-K246 PolarHBondContact O-N 3.47Å
243	N	91.9	Very high	91.8	Very high	86 Å²	86	73.6 Å²	73.6	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-31.5	-177	-74.3	-16.4	0	0	0	113	G239 R247	G239-N243 WeakPolarHBondContact O-CB 3.28Å; G239-N243 PolarHBondContact O-N 3.19Å; G239-N243 PolarHBondContact O-ND2 3.44Å; G239-N243 VanDerWaalsContact O-ND2 3.08Å; G239-N243 PolarHBondContact O-OD1 2.92Å; N243-R247 WeakPolarHBondContact O-CB 3.48Å; N243-R247 PolarHBondContact O-N 3.33Å
244	K	91.7	Very high	92.1	Very high	152 Å²	152	74 Å²	74	66%	0.661	34%	0.338	S	S	*	.	H	α-helix	trans	-59.1	-52.7	173.1	-178.9	-174.4	175.7	-174	0	110.9	Y242 R247 A248	Y242-K244 VanDerWaalsContact C-N 3.28Å; Y242-K244 PolarHBondContact O-N 2.93Å; K244-R247 PolarHBondContact O-N 3.44Å; K244-A248 PolarHBondContact O-N 2.91Å; K244-A248 VanDerWaalsContact O-N 3.11Å
245	H	93.2	Very high	92.4	Very high	24 Å²	24	70.1 Å²	70.1	11%	0.111	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-43	179.2	-73.8	-62.8	0	0	0	112.3	T224 V228 F235 L241 Y242 R247 A248 A249	T224-H245 HydrophobicContact CG2-CB 3.7Å; T224-H245 WeakPolarHBondContact CG2-O 3.09Å; T224-H245 PolarHBondContact OG1-ND1 2.7Å; V228-H245 HydrophobicContact CG1-CB 4.18Å; F235-H245 AromaticContact CZ-CD2 3.91Å; L241-H245 PolarHBondContact O-CD2 3.02Å; Y242-H245 PolarHBondContact O-N 3.48Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 2.96Å; H245-A248 PolarHBondContact O-N 3.39Å; H245-A249 PolarHBondContact O-N 3.33Å
246	K	94.1	Very high	92.6	Very high	98 Å²	98	69.4 Å²	69.4	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-43.6	175.9	-172	-177.1	177.3	-173.3	0	111.5	Y242 A249 Q250	Y242-K246 HydrophobicContact CE1-CD 4.06Å; Y242-K246 HydrophobicContact CE2-CB 4.28Å; Y242-K246 WeakPolarHBondContact O-CB 3.38Å; Y242-K246 PolarHBondContact O-N 3.47Å; K246-A249 PolarHBondContact O-N 3.42Å; K246-Q250 VanDerWaalsContact O-CB 3.28Å; K246-Q250 WeakPolarHBondContact O-CB 3.41Å; K246-Q250 PolarHBondContact O-N 3.4Å
247	R	95.1	Very high	92.8	Very high	171 Å²	171	71.8 Å²	71.8	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-63.1	-48.2	177	-173.3	-177.4	-62	164	0.3	111.6	N243 K244 H245 A249 Q250 E251	N243-R247 WeakPolarHBondContact O-CB 3.48Å; N243-R247 PolarHBondContact O-N 3.33Å; K244-R247 PolarHBondContact O-N 3.44Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 2.96Å; R247-A249 VanDerWaalsContact C-N 3.32Å; R247-A249 PolarHBondContact O-N 3.16Å; R247-Q250 PolarHBondContact O-N 2.99Å; R247-E251 HydrophobicContact CG-CG 4.49Å; R247-E251 WeakPolarHBondContact O-CG 3.44Å; R247-E251 PolarHBondContact O-N 2.92Å
248	A	94.3	Very high	93.1	Very high	16 Å²	16	65.9 Å²	65.9	13%	0.132	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-43.8	177.9	0	0	0	0	0	112.5	N220 K244 H245	N220-A248 HydrophobicContact CB-CB 4.19Å; K244-A248 PolarHBondContact O-N 2.91Å; K244-A248 VanDerWaalsContact O-N 3.11Å; H245-A248 PolarHBondContact O-N 3.39Å
249	A	95.7	Very high	93.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-42.9	176.1	0	0	0	0	0	112.4	C125 V126 Y221 T224 H245 K246 R247 L252 Q253	C125-A249 WeakPolarHBondContact O-CB 3.37Å; V126-A249 HydrophobicContact CG1-CB 4.48Å; Y221-A249 HydrophobicContact CD2-CB 4.29Å; Y221-A249 HydrophobicContact CE2-CB 4.48Å; T224-A249 HydrophobicContact CG2-CB 4.22Å; H245-A249 PolarHBondContact O-N 3.33Å; K246-A249 PolarHBondContact O-N 3.42Å; R247-A249 VanDerWaalsContact C-N 3.32Å; R247-A249 PolarHBondContact O-N 3.16Å; A249-L252 PolarHBondContact O-N 3.1Å; A249-Q253 VanDerWaalsContact O-CG 3.31Å; A249-Q253 WeakPolarHBondContact O-CG 3.44Å; A249-Q253 PolarHBondContact O-N 3.36Å
250	Q	96.2	Very high	94	Very high	81 Å²	81	61.5 Å²	61.5	38%	0.379	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-41.9	178.6	-169.9	73	44.2	0	0	111.5	K246 R247 L252 Q253 D254	K246-Q250 VanDerWaalsContact O-CB 3.28Å; K246-Q250 WeakPolarHBondContact O-CB 3.41Å; K246-Q250 PolarHBondContact O-N 3.4Å; R247-Q250 PolarHBondContact O-N 2.99Å; Q250-L252 VanDerWaalsContact C-N 3.34Å; Q250-L252 PolarHBondContact O-N 2.99Å; Q250-Q253 WeakPolarHBondContact O-CB 3.3Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q250-Q253 VanDerWaalsContact O-N 3.09Å; Q250-D254 PolarHBondContact NE2-OD1 2.78Å; Q250-D254 WeakPolarHBondContact O-CB 3.15Å; Q250-D254 PolarHBondContact O-N 2.76Å
251	E	96.4	Very high	94.5	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-57.9	-43	-179.6	-78.8	179	-153.5	0	0	112.9	K217 R247 V255	K217-E251 IonicContact NZ-OE2 3.91Å; K217-E251 PolarHBondContact NZ-OE2 2.8Å; R247-E251 HydrophobicContact CG-CG 4.49Å; R247-E251 WeakPolarHBondContact O-CG 3.44Å; R247-E251 PolarHBondContact O-N 2.92Å; E251-V255 WeakPolarHBondContact O-CG2 3.43Å; E251-V255 PolarHBondContact O-N 2.84Å; E251-V255 VanDerWaalsContact O-N 3.15Å
252	L	95.8	Very high	95.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-39.5	175.7	-176	63.7	0	0	0	111.3	L214 K217 I218 Y221 A249 Q250 D254 V255 M256 L302 I306	L214-L252 HydrophobicContact CD1-CD1 3.71Å; K217-L252 HydrophobicContact CB-CB 4.36Å; K217-L252 HydrophobicContact CB-CD1 3.98Å; I218-L252 HydrophobicContact CG1-CD1 4.07Å; I218-L252 HydrophobicContact CG1-CD2 4.32Å; Y221-L252 VanDerWaalsContact CB-CD2 3.46Å; Y221-L252 HydrophobicContact CD1-CD2 4.12Å; Y221-L252 HydrophobicContact CD2-CB 4.18Å; Y221-L252 HydrophobicContact CD2-CD2 3.77Å; Y221-L252 HydrophobicContact CG-CD2 3.52Å; A249-L252 PolarHBondContact O-N 3.1Å; Q250-L252 VanDerWaalsContact C-N 3.34Å; Q250-L252 PolarHBondContact O-N 2.99Å; L252-D254 VanDerWaalsContact C-N 3.32Å; L252-D254 PolarHBondContact O-N 3.27Å; L252-V255 PolarHBondContact O-N 3.09Å; L252-M256 HydrophobicContact CD1-CE 4.09Å; L252-M256 HydrophobicContact CG-CG 4.5Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.31Å; L252-M256 PolarHBondContact O-N 3.17Å; L252-L302 HydrophobicContact CD2-CD1 4.23Å; L252-L302 HydrophobicContact CD2-CD2 4.23Å; L252-L302 HydrophobicContact CD2-CG 4.14Å; L252-L302 HydrophobicContact CG-CD1 4.18Å; L252-L302 HydrophobicContact CG-CG 4.38Å; L252-I306 HydrophobicContact CD2-CG2 3.75Å
253	Q	96	Very high	95.3	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-41.6	176.7	-70.9	170.6	1.9	0	0	111.9	V126 A249 Q250 M256 E257 R298 L302	V126-Q253 VanDerWaalsContact C-NE2 3.32Å; V126-Q253 PolarHBondContact O-NE2 3.39Å; V126-Q253 VanDerWaalsContact O-NE2 3.13Å; A249-Q253 VanDerWaalsContact O-CG 3.31Å; A249-Q253 WeakPolarHBondContact O-CG 3.44Å; A249-Q253 PolarHBondContact O-N 3.36Å; Q250-Q253 WeakPolarHBondContact O-CB 3.3Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q250-Q253 VanDerWaalsContact O-N 3.09Å; Q253-M256 PolarHBondContact O-N 2.88Å; Q253-E257 PolarHBondContact O-N 3.15Å; Q253-R298 WeakPolarHBondContact O-CD 3.46Å; Q253-L302 HydrophobicContact CG-CD1 3.82Å
254	D	96.2	Very high	95.5	Very high	89 Å²	89	51.1 Å²	51.1	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-40.6	178.1	-64.9	-14.7	0	0	0	111.1	Q250 L252 E257 S258	Q250-D254 PolarHBondContact NE2-OD1 2.78Å; Q250-D254 WeakPolarHBondContact O-CB 3.15Å; Q250-D254 PolarHBondContact O-N 2.76Å; L252-D254 VanDerWaalsContact C-N 3.32Å; L252-D254 PolarHBondContact O-N 3.27Å; D254-E257 PolarHBondContact O-N 3.41Å; D254-S258 PolarHBondContact O-N 2.92Å
255	V	95.8	Very high	95.7	Very high	32 Å²	32	49.2 Å²	49.2	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-44.5	172.2	171.6	0	0	0	0	110.7	L214 K217 E251 L252 E257 S258 L259	L214-V255 HydrophobicContact CD1-CG1 4.24Å; K217-V255 HydrophobicContact CD-CG2 3.63Å; E251-V255 WeakPolarHBondContact O-CG2 3.43Å; E251-V255 PolarHBondContact O-N 2.84Å; E251-V255 VanDerWaalsContact O-N 3.15Å; L252-V255 PolarHBondContact O-N 3.09Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.49Å; V255-S258 WeakPolarHBondContact O-CB 3.46Å; V255-S258 PolarHBondContact O-N 3.3Å; V255-S258 VanDerWaalsContact O-N 3.17Å; V255-L259 HydrophobicContact CG1-CD1 4.33Å; V255-L259 HydrophobicContact CG1-CG 4.33Å; V255-L259 WeakPolarHBondContact O-CG 3.08Å; V255-L259 PolarHBondContact O-N 2.94Å
256	M	95.8	Very high	95.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-37.9	177.5	-68.2	-62.3	102.8	0	0	112.5	L214 L252 Q253 L259 L260 R298 L302 V305	L214-M256 HydrophobicContact CD1-CE 3.62Å; L252-M256 HydrophobicContact CD1-CE 4.09Å; L252-M256 HydrophobicContact CG-CG 4.5Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.31Å; L252-M256 PolarHBondContact O-N 3.17Å; Q253-M256 PolarHBondContact O-N 2.88Å; M256-L259 HydrophobicContact CE-CD1 3.56Å; M256-L259 PolarHBondContact O-N 3.22Å; M256-L260 WeakPolarHBondContact O-CB 3.28Å; M256-L260 WeakPolarHBondContact O-CG 3.3Å; M256-L260 PolarHBondContact O-N 3.34Å; M256-R298 HydrophobicContact CB-CG 4.17Å; M256-L302 HydrophobicContact CG-CB 3.8Å; M256-L302 HydrophobicContact CG-CD1 3.98Å; M256-L302 HydrophobicContact CG-CG 3.86Å; M256-L302 HydrophobicContact SD-CB 4.39Å; M256-V305 HydrophobicContact CE-CG1 4.5Å; M256-V305 HydrophobicContact SD-CB 4.4Å; M256-V305 HydrophobicContact SD-CG2 4.31Å
257	E	96.3	Very high	95.6	Very high	57 Å²	57	47.8 Å²	47.8	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-41.9	173.9	-168.7	63.1	-131.6	0	0	111.4	Q253 D254 V255 L259 L260 E261 R264 R298	Q253-E257 PolarHBondContact O-N 3.15Å; D254-E257 PolarHBondContact O-N 3.41Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.49Å; E257-L259 PolarHBondContact O-N 2.9Å; E257-L260 PolarHBondContact O-N 3.5Å; E257-E261 PolarHBondContact O-N 2.87Å; E257-R264 IonicContact OE1-CZ 3.33Å; E257-R264 IonicContact OE1-NH1 3.39Å; E257-R264 PolarHBondContact OE1-NH1 3.17Å; E257-R264 IonicContact OE1-NH2 2.88Å; E257-R264 PolarHBondContact OE1-NH2 3.44Å; E257-R298 WeakPolarHBondContact OE2-CD 3.02Å; E257-R298 IonicContact OE2-NH1 2.92Å; E257-R298 PolarHBondContact OE2-NH1 3.48Å
258	S	96.4	Very high	95.4	Very high	74 Å²	74	46 Å²	46	52%	0.517	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-40.3	176.1	178.5	0	0	0	0	112.9	D254 V255 E261 T262	D254-S258 PolarHBondContact O-N 2.92Å; V255-S258 WeakPolarHBondContact O-CB 3.46Å; V255-S258 PolarHBondContact O-N 3.3Å; V255-S258 VanDerWaalsContact O-N 3.17Å; S258-E261 PolarHBondContact O-N 3.19Å; S258-T262 PolarHBondContact O-N 2.71Å; S258-T262 PolarHBondContact O-OG1 3.11Å
259	L	95.8	Very high	95.3	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-39.5	175.3	-65.4	-174.6	0	0	0	111.7	L205 V207 L209 V255 M256 E257 E261 T262 K263	L205-L259 HydrophobicContact CD2-CB 4.1Å; L205-L259 HydrophobicContact CD2-CD1 3.83Å; V207-L259 HydrophobicContact CG2-CB 4.23Å; V207-L259 HydrophobicContact CG2-CD2 3.89Å; V207-L259 HydrophobicContact CG2-CG 4.42Å; L209-L259 HydrophobicContact CB-CD2 4.36Å; V255-L259 HydrophobicContact CG1-CD1 4.33Å; V255-L259 HydrophobicContact CG1-CG 4.33Å; V255-L259 WeakPolarHBondContact O-CG 3.08Å; V255-L259 PolarHBondContact O-N 2.94Å; M256-L259 HydrophobicContact CE-CD1 3.56Å; M256-L259 PolarHBondContact O-N 3.22Å; E257-L259 PolarHBondContact O-N 2.9Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-T262 WeakPolarHBondContact O-CB 3.33Å; L259-T262 PolarHBondContact O-N 3.17Å; L259-K263 WeakPolarHBondContact O-CB 3.31Å; L259-K263 PolarHBondContact O-N 3.28Å
260	L	96.6	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-38.4	174.3	-83.3	171.3	0	0	0	112.2	M256 E257 K263 R264 I284 V297 R298 V301	M256-L260 WeakPolarHBondContact O-CB 3.28Å; M256-L260 WeakPolarHBondContact O-CG 3.3Å; M256-L260 PolarHBondContact O-N 3.34Å; E257-L260 PolarHBondContact O-N 3.5Å; L260-K263 WeakPolarHBondContact O-CB 3.07Å; L260-K263 PolarHBondContact O-N 2.99Å; L260-R264 WeakPolarHBondContact O-CG 3.28Å; L260-R264 PolarHBondContact O-N 3.03Å; L260-I284 HydrophobicContact CD2-CD1 4.13Å; L260-I284 HydrophobicContact CD2-CG1 4.32Å; L260-V297 HydrophobicContact CD1-CG1 4.23Å; L260-V297 HydrophobicContact CD2-CG1 4.22Å; L260-R298 HydrophobicContact CD1-CB 4.01Å; L260-R298 HydrophobicContact CD1-CG 4.32Å; L260-V301 HydrophobicContact CD2-CG2 3.95Å
261	E	96.8	Very high	94.1	Very high	82 Å²	82	60.7 Å²	60.7	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-41.2	176.5	-169.6	55	-150.9	0	0	111.7	E257 S258 L259 K263 R264 K265	E257-E261 PolarHBondContact O-N 2.87Å; S258-E261 PolarHBondContact O-N 3.19Å; L259-E261 VanDerWaalsContact C-N 3.33Å; E261-K263 VanDerWaalsContact C-N 3.28Å; E261-K263 PolarHBondContact O-N 3.15Å; E261-R264 PolarHBondContact O-N 2.88Å; E261-R264 IonicContact OE2-CZ 3.16Å; E261-R264 IonicContact OE2-NH1 3.29Å; E261-R264 PolarHBondContact OE2-NH1 3.2Å; E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 3.43Å; E261-K265 VanDerWaalsContact O-N 3.08Å
262	T	96.3	Very high	93.3	Very high	49 Å²	49	64.8 Å²	64.8	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-43.3	170.2	-56.6	0	0	0	0	111	V207 S258 L259 K265 I266	V207-T262 HydrophobicContact CB-CG2 4.4Å; V207-T262 HydrophobicContact CG1-CG2 4.42Å; S258-T262 PolarHBondContact O-N 2.71Å; S258-T262 PolarHBondContact O-OG1 3.11Å; L259-T262 WeakPolarHBondContact O-CB 3.33Å; L259-T262 PolarHBondContact O-N 3.17Å; T262-K265 PolarHBondContact O-N 2.48Å; T262-I266 HydrophobicContact CG2-CD1 4.12Å; T262-I266 WeakPolarHBondContact O-CG1 3.31Å; T262-I266 PolarHBondContact O-N 2.95Å; T262-I266 VanDerWaalsContact O-N 3.09Å
263	K	95.7	Very high	92.5	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-42.3	177.5	-175.5	58.1	172	-168.5	0	112.5	L205 V207 L259 L260 E261 K265 I266 I267 D278 A280 T281 I284	L205-K263 HydrophobicContact CD1-CB 4.41Å; L205-K263 HydrophobicContact CD1-CG 4.48Å; L205-K263 WeakPolarHBondContact O-CD 3.4Å; L205-K263 VanDerWaalsContact O-CE 3.3Å; L205-K263 WeakPolarHBondContact O-CE 3.13Å; L205-K263 PolarHBondContact O-NZ 2.91Å; V207-K263 HydrophobicContact CG1-CB 3.92Å; V207-K263 HydrophobicContact CG1-CD 4.05Å; L259-K263 WeakPolarHBondContact O-CB 3.31Å; L259-K263 PolarHBondContact O-N 3.28Å; L260-K263 WeakPolarHBondContact O-CB 3.07Å; L260-K263 PolarHBondContact O-N 2.99Å; E261-K263 VanDerWaalsContact C-N 3.28Å; E261-K263 PolarHBondContact O-N 3.15Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 2.86Å; K263-I266 PolarHBondContact O-N 3.19Å; K263-I267 HydrophobicContact CD-CD1 4.33Å; K263-I267 HydrophobicContact CG-CD1 3.97Å; K263-I267 VanDerWaalsContact O-CG1 3.32Å; K263-I267 WeakPolarHBondContact O-CG1 3.31Å; K263-I267 PolarHBondContact O-N 3.32Å; K263-D278 VanDerWaalsContact CE-OD1 3.25Å; K263-D278 WeakPolarHBondContact CE-OD1 3.39Å; K263-D278 VanDerWaalsContact NZ-CG 3.32Å; K263-D278 IonicContact NZ-OD1 3.23Å; K263-D278 PolarHBondContact NZ-OD1 3.45Å; K263-D278 IonicContact NZ-OD2 3.83Å; K263-D278 PolarHBondContact NZ-OD2 3.01Å; K263-A280 HydrophobicContact CG-CB 4.25Å; K263-T281 WeakPolarHBondContact CE-OG1 3.43Å; K263-T281 PolarHBondContact NZ-OG1 2.8Å; K263-I284 HydrophobicContact CB-CD1 4.24Å; K263-I284 HydrophobicContact CG-CD1 3.73Å
264	R	95.3	Very high	91.3	Very high	39 Å²	39	72.2 Å²	72.2	15%	0.147	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-42.5	176.1	-71.7	174.7	-167.3	124.3	3	111.6	E257 L260 E261 I267 N268 I284	E257-R264 IonicContact OE1-CZ 3.33Å; E257-R264 IonicContact OE1-NH1 3.39Å; E257-R264 PolarHBondContact OE1-NH1 3.17Å; E257-R264 IonicContact OE1-NH2 2.88Å; E257-R264 PolarHBondContact OE1-NH2 3.44Å; L260-R264 WeakPolarHBondContact O-CG 3.28Å; L260-R264 PolarHBondContact O-N 3.03Å; E261-R264 PolarHBondContact O-N 2.88Å; E261-R264 IonicContact OE2-CZ 3.16Å; E261-R264 IonicContact OE2-NH1 3.29Å; E261-R264 PolarHBondContact OE2-NH1 3.2Å; R264-I267 PolarHBondContact O-N 3.47Å; R264-N268 WeakPolarHBondContact O-CB 3.49Å; R264-N268 PolarHBondContact O-N 2.64Å; R264-N268 PolarHBondContact O-ND2 3.14Å; R264-I284 HydrophobicContact CG-CD1 4.01Å; R264-I284 HydrophobicContact CG-CG2 4.38Å
265	K	95.1	Very high	90	Very high	113 Å²	113	75 Å²	75	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-48.7	175.2	-69.2	175.3	-177	178.3	0	111.8	E261 T262 K263 I267 N268 E269	E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 3.43Å; E261-K265 VanDerWaalsContact O-N 3.08Å; T262-K265 PolarHBondContact O-N 2.48Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 2.86Å; K265-I267 VanDerWaalsContact C-N 3.3Å; K265-I267 PolarHBondContact O-N 2.79Å; K265-N268 PolarHBondContact O-N 3.42Å; K265-N268 VanDerWaalsContact O-N 3.13Å; K265-E269 WeakPolarHBondContact O-CB 3.35Å; K265-E269 WeakPolarHBondContact O-CG 3.36Å; K265-E269 PolarHBondContact O-N 3Å
266	I	93.6	Very high	89	Confident	69 Å²	69	77.5 Å²	77.5	35%	0.354	39%	0.392	S	S	.	.	H	α-helix	trans	-57.7	-42.8	177	-67.7	165.3	0	0	0	111.4	V207 T262 K263 A270	V207-I266 HydrophobicContact CG1-CD1 4.15Å; T262-I266 HydrophobicContact CG2-CD1 4.12Å; T262-I266 WeakPolarHBondContact O-CG1 3.31Å; T262-I266 PolarHBondContact O-N 2.95Å; T262-I266 VanDerWaalsContact O-N 3.09Å; K263-I266 PolarHBondContact O-N 3.19Å; I266-A270 WeakPolarHBondContact O-CB 3.09Å; I266-A270 PolarHBondContact O-N 2.99Å; I266-A270 VanDerWaalsContact O-N 3.17Å
267	I	92.8	Very high	88.6	Confident	22 Å²	22	80.2 Å²	80.2	11%	0.113	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-42.4	177.9	-70.5	163.3	0	0	0	111.3	K263 R264 K265 L273 T281 I284 F285	K263-I267 HydrophobicContact CD-CD1 4.33Å; K263-I267 HydrophobicContact CG-CD1 3.97Å; K263-I267 VanDerWaalsContact O-CG1 3.32Å; K263-I267 WeakPolarHBondContact O-CG1 3.31Å; K263-I267 PolarHBondContact O-N 3.32Å; R264-I267 PolarHBondContact O-N 3.47Å; K265-I267 VanDerWaalsContact C-N 3.3Å; K265-I267 PolarHBondContact O-N 2.79Å; I267-L273 HydrophobicContact CG2-CD2 4.3Å; I267-T281 HydrophobicContact CD1-CG2 3.84Å; I267-T281 HydrophobicContact CG1-CG2 4.17Å; I267-I284 HydrophobicContact CD1-CB 4.44Å; I267-I284 HydrophobicContact CD1-CD1 3.66Å; I267-I284 HydrophobicContact CD1-CG2 4.33Å; I267-F285 HydrophobicContact CG2-CE1 3.93Å; I267-F285 HydrophobicContact CG2-CZ 4.23Å
268	N	90.9	Very high	88.4	Confident	134 Å²	134	78 Å²	78	72%	0.717	40%	0.396	S	S	*	.	H	α-helix	trans	-72.9	-30.1	-177.7	-69.2	-18.6	0	0	0	113	R264 K265	R264-N268 WeakPolarHBondContact O-CB 3.49Å; R264-N268 PolarHBondContact O-N 2.64Å; R264-N268 PolarHBondContact O-ND2 3.14Å; K265-N268 PolarHBondContact O-N 3.42Å; K265-N268 VanDerWaalsContact O-N 3.13Å
269	E	91.9	Very high	88.3	Confident	154 Å²	154	74.7 Å²	74.7	72%	0.72	37%	0.372	S	S	*	.	H	α-helix	trans	-85.2	-13.4	179	-69.6	170.6	-173.9	0	0	113	K265 E271	K265-E269 WeakPolarHBondContact O-CB 3.35Å; K265-E269 WeakPolarHBondContact O-CG 3.36Å; K265-E269 PolarHBondContact O-N 3Å; E269-E271 PolarHBondContact O-N 3.34Å
270	A	88.3	Confident	88.3	Confident	44 Å²	44	74 Å²	74	36%	0.364	37%	0.369	S	S	.	.			trans	-72.4	118.9	-179.8	0	0	0	0	0	111.7	I266 K272	I266-A270 WeakPolarHBondContact O-CB 3.09Å; I266-A270 PolarHBondContact O-N 2.99Å; I266-A270 VanDerWaalsContact O-N 3.17Å; A270-K272 PolarHBondContact O-N 2.88Å
271	E	77.5	Confident	88.2	Confident	207 Å²	207	74.2 Å²	74.2	97%	0.967	37%	0.37	S	S	*	.	S	Bend	trans	-63.3	-32.1	175	-64.9	-175.7	166.7	0	0	112.6	E269	E269-E271 PolarHBondContact O-N 3.34Å
272	K	80.7	Confident	88.1	Confident	156 Å²	156	71.5 Å²	71.5	68%	0.678	36%	0.358	S	S	*	.	S	Bend	trans	-142.5	131.4	175.5	-169.8	-176	173.6	-165.9	0	109.4	A270 D275	A270-K272 PolarHBondContact O-N 2.88Å; K272-D275 IonicContact NZ-OD1 2.85Å
273	L	78.4	Confident	88.2	Confident	72 Å²	72	69.2 Å²	69.2	38%	0.377	34%	0.343	S	S	.	.			trans	-75.2	145.2	171.7	-67.4	164.1	0	0	0	110.3	I267 L277 F285	I267-L273 HydrophobicContact CG2-CD2 4.3Å; L273-L277 HydrophobicContact CB-CD2 4.32Å; L273-F285 HydrophobicContact CD1-CE2 4.02Å; L273-F285 HydrophobicContact CD1-CZ 3.58Å; L273-F285 HydrophobicContact CD2-CZ 4.3Å
274	D	72.1	Confident	88.3	Confident	101 Å²	101	69 Å²	69	54%	0.54	34%	0.343	S	S	.	.			trans	-54.5	141.7	170.5	-78.5	-13.5	0	0	0	110.4	R206 E276	R206-D274 IonicContact NH1-OD2 2.65Å; R206-D274 PolarHBondContact NH1-OD2 2.81Å; D274-E276 PolarHBondContact O-N 2.85Å; D274-E276 VanDerWaalsContact O-N 3.16Å
275	D	67.4	Low	88.3	Confident	146 Å²	146	69.4 Å²	69.4	78%	0.781	35%	0.345	S	S	*	.	S	Bend	trans	-61.5	-24	174.5	-61.4	-34.3	0	0	0	111.4	K272	K272-D275 IonicContact NZ-OD1 2.85Å
276	E	76.1	Confident	88.3	Confident	85 Å²	85	64.1 Å²	64.1	40%	0.397	32%	0.323	S	S	.	.	S	Bend	trans	-114.3	97.5	172.1	-69.9	-169.4	175	0	0	112.3	P156 R160 D274	P156-E276 VanDerWaalsContact CB-OE1 3.29Å; P156-E276 WeakPolarHBondContact CB-OE1 3.35Å; R160-E276 IonicContact CZ-OE2 3.79Å; R160-E276 IonicContact NE-OE2 2.74Å; R160-E276 PolarHBondContact NE-OE2 3.36Å; R160-E276 IonicContact NH2-OE2 3.08Å; R160-E276 PolarHBondContact NH2-OE2 2.77Å; D274-E276 PolarHBondContact O-N 2.85Å; D274-E276 VanDerWaalsContact O-N 3.16Å
277	L	86.6	Confident	88.5	Confident	58 Å²	58	63 Å²	63	30%	0.304	32%	0.316	S	S	.	.			trans	-61.3	141	175.3	-55.7	179.9	0	0	0	112	L273 T281 E282 F285	L273-L277 HydrophobicContact CB-CD2 4.32Å; L277-T281 HydrophobicContact CB-CG2 4.49Å; L277-T281 HydrophobicContact CD2-CG2 3.94Å; L277-E282 HydrophobicContact CB-CG 3.83Å; L277-E282 HydrophobicContact CD1-CG 4.23Å; L277-F285 HydrophobicContact CD1-CD2 3.81Å; L277-F285 HydrophobicContact CD1-CE2 3.69Å; L277-F285 HydrophobicContact CD2-CE2 4.11Å
278	D	91.1	Very high	88.6	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.053	34%	0.34	C	S	.	.			trans	-81.2	164.7	166.8	57.9	64.2	0	0	0	112.4	R206 K263 A280 T281 E282	R206-D278 IonicContact CZ-OD2 3.4Å; R206-D278 IonicContact NE-OD2 3.5Å; K263-D278 VanDerWaalsContact CE-OD1 3.25Å; K263-D278 WeakPolarHBondContact CE-OD1 3.39Å; K263-D278 VanDerWaalsContact NZ-CG 3.32Å; K263-D278 IonicContact NZ-OD1 3.23Å; K263-D278 PolarHBondContact NZ-OD1 3.45Å; K263-D278 IonicContact NZ-OD2 3.83Å; K263-D278 PolarHBondContact NZ-OD2 3.01Å; D278-A280 PolarHBondContact O-N 2.95Å; D278-A280 PolarHBondContact OD1-N 2.85Å; D278-T281 VanDerWaalsContact CG-OG1 3.27Å; D278-T281 WeakPolarHBondContact O-CB 3.22Å; D278-T281 PolarHBondContact O-N 3.08Å; D278-T281 VanDerWaalsContact O-N 3.13Å; D278-T281 WeakPolarHBondContact OD1-CB 3.37Å; D278-T281 PolarHBondContact OD1-N 3.43Å; D278-T281 PolarHBondContact OD1-OG1 3.01Å; D278-T281 PolarHBondContact OD2-OG1 3.38Å; D278-E282 PolarHBondContact O-N 3.17Å
279	F	94.6	Very high	88.8	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-54.8	-46.2	-175.9	177	-109.4	0	0	0	113.4	F149 A152 F204 T281 E282 L283 C300 V301 M304	F149-F279 HydrophobicContact CD1-CE2 4.3Å; F149-F279 HydrophobicContact CD1-CZ 4.01Å; F149-F279 AromaticContact CD2-CE2 4Å; F149-F279 HydrophobicContact CD2-CE2 4Å; F149-F279 AromaticContact CD2-CZ 3.87Å; F149-F279 HydrophobicContact CD2-CZ 3.87Å; F149-F279 HydrophobicContact CE1-CE1 4.43Å; F149-F279 AromaticContact CE1-CZ 3.81Å; F149-F279 HydrophobicContact CE1-CZ 3.81Å; F149-F279 HydrophobicContact CE2-CE2 4.27Å; F149-F279 AromaticContact CE2-CZ 3.68Å; F149-F279 HydrophobicContact CE2-CZ 3.68Å; F149-F279 HydrophobicContact CG-CE2 4.02Å; F149-F279 HydrophobicContact CG-CZ 4.03Å; F149-F279 HydrophobicContact CZ-CE1 4.39Å; F149-F279 AromaticContact CZ-CZ 3.66Å; F149-F279 HydrophobicContact CZ-CZ 3.66Å; A152-F279 HydrophobicContact CB-CB 3.84Å; A152-F279 HydrophobicContact CB-CD2 3.63Å; A152-F279 HydrophobicContact CB-CG 4.08Å; F204-F279 HydrophobicContact CB-CB 3.98Å; F204-F279 HydrophobicContact CB-CD1 4.39Å; F204-F279 HydrophobicContact CD1-CB 4.02Å; F204-F279 HydrophobicContact CG-CB 4.43Å; F279-T281 VanDerWaalsContact C-N 3.33Å; F279-T281 PolarHBondContact O-N 3.38Å; F279-E282 PolarHBondContact O-N 2.85Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD2-CD1 4.46Å; F279-L283 HydrophobicContact CE1-CD1 3.43Å; F279-L283 VanDerWaalsContact CE1-CD1 3.43Å; F279-L283 HydrophobicContact CE1-CG 4.43Å; F279-L283 HydrophobicContact CE2-CD1 3.98Å; F279-L283 HydrophobicContact CE2-CD2 4.44Å; F279-L283 HydrophobicContact CE2-CG 4.23Å; F279-L283 HydrophobicContact CG-CD1 4.48Å; F279-L283 HydrophobicContact CZ-CD1 3.45Å; F279-L283 VanDerWaalsContact CZ-CD1 3.45Å; F279-L283 HydrophobicContact CZ-CG 4.2Å; F279-L283 WeakPolarHBondContact O-CG 3.48Å; F279-L283 PolarHBondContact O-N 3.47Å; F279-L283 VanDerWaalsContact O-N 3.09Å; F279-C300 HydrophobicContact CE1-CB 4.5Å; F279-C300 HydrophobicContact CZ-CB 4.19Å; F279-V301 HydrophobicContact CE1-CG2 4.43Å; F279-M304 HydrophobicContact CD1-CB 4.05Å; F279-M304 HydrophobicContact CD1-CE 3.88Å; F279-M304 HydrophobicContact CD1-CG 4Å; F279-M304 HydrophobicContact CD2-CE 3.87Å; F279-M304 HydrophobicContact CE1-CB 3.65Å; F279-M304 HydrophobicContact CE1-CE 3.79Å; F279-M304 HydrophobicContact CE1-CG 4.05Å; F279-M304 HydrophobicContact CE2-CE 3.78Å; F279-M304 HydrophobicContact CG-CE 3.89Å; F279-M304 HydrophobicContact CZ-CB 4.44Å; F279-M304 HydrophobicContact CZ-CE 3.72Å
280	A	96.4	Very high	88.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-40.7	179.1	0	0	0	0	0	111.7	F204 L205 K263 D278 L283 I284 V301	F204-A280 WeakPolarHBondContact O-CB 3.19Å; F204-A280 PolarHBondContact O-N 2.96Å; L205-A280 HydrophobicContact CD1-CB 3.6Å; K263-A280 HydrophobicContact CG-CB 4.25Å; D278-A280 PolarHBondContact O-N 2.95Å; D278-A280 PolarHBondContact OD1-N 2.85Å; A280-L283 PolarHBondContact O-N 3.16Å; A280-I284 VanDerWaalsContact O-CG1 3.27Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.02Å; A280-V301 HydrophobicContact CB-CG2 4.2Å
281	T	95.4	Very high	89.3	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-44.9	176.9	-52.5	0	0	0	0	111.7	K263 I267 L277 D278 F279 L283 I284 F285	K263-T281 WeakPolarHBondContact CE-OG1 3.43Å; K263-T281 PolarHBondContact NZ-OG1 2.8Å; I267-T281 HydrophobicContact CD1-CG2 3.84Å; I267-T281 HydrophobicContact CG1-CG2 4.17Å; L277-T281 HydrophobicContact CB-CG2 4.49Å; L277-T281 HydrophobicContact CD2-CG2 3.94Å; D278-T281 VanDerWaalsContact CG-OG1 3.27Å; D278-T281 WeakPolarHBondContact O-CB 3.22Å; D278-T281 PolarHBondContact O-N 3.08Å; D278-T281 VanDerWaalsContact O-N 3.13Å; D278-T281 WeakPolarHBondContact OD1-CB 3.37Å; D278-T281 PolarHBondContact OD1-N 3.43Å; D278-T281 PolarHBondContact OD1-OG1 3.01Å; D278-T281 PolarHBondContact OD2-OG1 3.38Å; F279-T281 VanDerWaalsContact C-N 3.33Å; F279-T281 PolarHBondContact O-N 3.38Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 3.09Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-F285 HydrophobicContact CG2-CD2 4.25Å; T281-F285 HydrophobicContact CG2-CE1 4.31Å; T281-F285 HydrophobicContact CG2-CE2 3.69Å; T281-F285 HydrophobicContact CG2-CZ 3.71Å; T281-F285 WeakPolarHBondContact O-CG 3.32Å; T281-F285 PolarHBondContact O-N 2.81Å
282	E	95.1	Very high	90.2	Very high	26 Å²	26	56.4 Å²	56.4	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-41	176.6	-69.1	-162.2	-173.8	0	0	112.7	Y148 K151 L277 D278 F279 F285 A286	Y148-E282 HydrophobicContact CD1-CB 4.39Å; K151-E282 WeakPolarHBondContact CD-OE2 3.44Å; K151-E282 WeakPolarHBondContact CE-OE1 3.44Å; K151-E282 IonicContact NZ-OE1 3.2Å; K151-E282 PolarHBondContact NZ-OE1 2.95Å; K151-E282 IonicContact NZ-OE2 3.77Å; K151-E282 PolarHBondContact NZ-OE2 3.45Å; K151-E282 VanDerWaalsContact NZ-OE2 3.08Å; L277-E282 HydrophobicContact CB-CG 3.83Å; L277-E282 HydrophobicContact CD1-CG 4.23Å; D278-E282 PolarHBondContact O-N 3.17Å; F279-E282 PolarHBondContact O-N 2.85Å; E282-F285 PolarHBondContact O-N 2.93Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 2.67Å
283	L	97.5	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-38.9	177.5	-69.3	178.5	0	0	0	112.4	Y148 F279 A280 T281 F285 A286 Q287 L292 V297 C300 V301	Y148-L283 HydrophobicContact CD1-CD2 4.18Å; Y148-L283 HydrophobicContact CD2-CD2 4.15Å; Y148-L283 HydrophobicContact CG-CD2 3.83Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD2-CD1 4.46Å; F279-L283 HydrophobicContact CE1-CD1 3.43Å; F279-L283 VanDerWaalsContact CE1-CD1 3.43Å; F279-L283 HydrophobicContact CE1-CG 4.43Å; F279-L283 HydrophobicContact CE2-CD1 3.98Å; F279-L283 HydrophobicContact CE2-CD2 4.44Å; F279-L283 HydrophobicContact CE2-CG 4.23Å; F279-L283 HydrophobicContact CG-CD1 4.48Å; F279-L283 HydrophobicContact CZ-CD1 3.45Å; F279-L283 VanDerWaalsContact CZ-CD1 3.45Å; F279-L283 HydrophobicContact CZ-CG 4.2Å; F279-L283 WeakPolarHBondContact O-CG 3.48Å; F279-L283 PolarHBondContact O-N 3.47Å; F279-L283 VanDerWaalsContact O-N 3.09Å; A280-L283 PolarHBondContact O-N 3.16Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 3.09Å; L283-F285 VanDerWaalsContact C-N 3.33Å; L283-A286 PolarHBondContact O-N 3.38Å; L283-Q287 PolarHBondContact O-N 2.96Å; L283-L292 HydrophobicContact CD2-CD1 3.54Å; L283-V297 HydrophobicContact CB-CB 4.49Å; L283-V297 HydrophobicContact CB-CG1 3.89Å; L283-V297 HydrophobicContact CB-CG2 4.08Å; L283-V297 WeakPolarHBondContact O-CG2 3.24Å; L283-C300 HydrophobicContact CD1-CB 3.5Å; L283-C300 HydrophobicContact CD2-CB 4.47Å; L283-V301 HydrophobicContact CD1-CG2 3.84Å
284	I	97	Very high	91.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-42.4	175	-71.1	164.3	0	0	0	110.2	L260 K263 R264 I267 A280 T281 Q287 N288	L260-I284 HydrophobicContact CD2-CD1 4.13Å; L260-I284 HydrophobicContact CD2-CG1 4.32Å; K263-I284 HydrophobicContact CB-CD1 4.24Å; K263-I284 HydrophobicContact CG-CD1 3.73Å; R264-I284 HydrophobicContact CG-CD1 4.01Å; R264-I284 HydrophobicContact CG-CG2 4.38Å; I267-I284 HydrophobicContact CD1-CB 4.44Å; I267-I284 HydrophobicContact CD1-CD1 3.66Å; I267-I284 HydrophobicContact CD1-CG2 4.33Å; A280-I284 VanDerWaalsContact O-CG1 3.27Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.02Å; T281-I284 PolarHBondContact O-N 3.31Å; I284-Q287 WeakPolarHBondContact O-CB 3.32Å; I284-Q287 PolarHBondContact O-N 3.26Å; I284-N288 VanDerWaalsContact O-CG 3.27Å; I284-N288 PolarHBondContact O-N 3.23Å; I284-N288 PolarHBondContact O-OD1 3.42Å
285	F	95.6	Very high	93.1	Very high	47 Å²	47	49 Å²	49	21%	0.206	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-42.2	174.5	-67.5	-16.7	0	0	0	112.3	I267 L273 L277 T281 E282 L283 Q287 N288 H289	I267-F285 HydrophobicContact CG2-CE1 3.93Å; I267-F285 HydrophobicContact CG2-CZ 4.23Å; L273-F285 HydrophobicContact CD1-CE2 4.02Å; L273-F285 HydrophobicContact CD1-CZ 3.58Å; L273-F285 HydrophobicContact CD2-CZ 4.3Å; L277-F285 HydrophobicContact CD1-CD2 3.81Å; L277-F285 HydrophobicContact CD1-CE2 3.69Å; L277-F285 HydrophobicContact CD2-CE2 4.11Å; T281-F285 HydrophobicContact CG2-CD2 4.25Å; T281-F285 HydrophobicContact CG2-CE1 4.31Å; T281-F285 HydrophobicContact CG2-CE2 3.69Å; T281-F285 HydrophobicContact CG2-CZ 3.71Å; T281-F285 WeakPolarHBondContact O-CG 3.32Å; T281-F285 PolarHBondContact O-N 2.81Å; E282-F285 PolarHBondContact O-N 2.93Å; L283-F285 VanDerWaalsContact C-N 3.33Å; F285-Q287 PolarHBondContact O-N 2.69Å; F285-N288 PolarHBondContact O-N 3.45Å; F285-N288 VanDerWaalsContact O-N 3.13Å; F285-H289 PolarHBondContact O-N 3.35Å; F285-H289 PolarHBondContact O-ND1 3.48Å
286	A	96.3	Very high	94.5	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-39.7	173.4	0	0	0	0	0	111.5	Y148 E282 L283 H289 G290 E291 L292	Y148-A286 HydrophobicContact CE1-CB 3.94Å; Y148-A286 VanDerWaalsContact OH-CB 3.27Å; Y148-A286 WeakPolarHBondContact OH-CB 3.43Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 2.67Å; L283-A286 PolarHBondContact O-N 3.38Å; A286-H289 PolarHBondContact O-N 3.01Å; A286-G290 PolarHBondContact O-N 3.36Å; A286-E291 HydrophobicContact CB-CB 4.14Å; A286-E291 WeakPolarHBondContact O-CA 3.37Å; A286-E291 VanDerWaalsContact O-CB 3.24Å; A286-E291 WeakPolarHBondContact O-CB 3.41Å; A286-E291 PolarHBondContact O-N 3.11Å; A286-L292 HydrophobicContact CB-CB 4.47Å; A286-L292 HydrophobicContact CB-CD1 3.83Å; A286-L292 HydrophobicContact CB-CG 3.97Å; A286-L292 PolarHBondContact O-N 2.88Å
287	Q	96.6	Very high	95.5	Very high	46 Å²	46	38.1 Å²	38.1	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-46.6	172.8	172.8	-174.5	-10.9	0	0	112.3	L283 I284 F285 H289 G290 L292 V297	L283-Q287 PolarHBondContact O-N 2.96Å; I284-Q287 WeakPolarHBondContact O-CB 3.32Å; I284-Q287 PolarHBondContact O-N 3.26Å; F285-Q287 PolarHBondContact O-N 2.69Å; Q287-H289 PolarHBondContact O-N 3.13Å; Q287-G290 PolarHBondContact O-N 3.13Å; Q287-L292 WeakPolarHBondContact CA-O 3.39Å; Q287-V297 HydrophobicContact CB-CG2 3.8Å
288	N	95	Very high	96.1	Very high	113 Å²	113	37.5 Å²	37.5	60%	0.604	21%	0.211	S	C	*	.	H	α-helix	trans	-63.3	-31.6	-179.3	-68	-11.2	0	0	0	112.6	I284 F285 G290	I284-N288 VanDerWaalsContact O-CG 3.27Å; I284-N288 PolarHBondContact O-N 3.23Å; I284-N288 PolarHBondContact O-OD1 3.42Å; F285-N288 PolarHBondContact O-N 3.45Å; F285-N288 VanDerWaalsContact O-N 3.13Å; N288-G290 PolarHBondContact O-N 3.22Å
289	H	95.5	Very high	96.4	Very high	142 Å²	142	37.1 Å²	37.1	66%	0.657	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	5.6	173.8	-60.9	113.8	0	0	0	113.7	F285 A286 Q287 E291	F285-H289 PolarHBondContact O-N 3.35Å; F285-H289 PolarHBondContact O-ND1 3.48Å; A286-H289 PolarHBondContact O-N 3.01Å; Q287-H289 PolarHBondContact O-N 3.13Å; H289-E291 HydrophobicContact CB-CG 4.27Å; H289-E291 PolarHBondContact O-N 3.14Å
290	G	94.3	Very high	96.6	Very high	67 Å²	67	37 Å²	37	69%	0.691	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	13.4	-179.1	0	0	0	0	0	114.1	A286 Q287 N288	A286-G290 PolarHBondContact O-N 3.36Å; Q287-G290 PolarHBondContact O-N 3.13Å; N288-G290 PolarHBondContact O-N 3.22Å
291	E	95.7	Very high	96.6	Very high	88 Å²	88	37.1 Å²	37.1	41%	0.411	21%	0.21	S	C	.	.	S	Bend	trans	-79.3	-30.6	-178.3	-71.1	-165	-124.7	0	0	113.5	K144 Y148 A286 H289	K144-E291 WeakPolarHBondContact CE-OE2 3.36Å; K144-E291 VanDerWaalsContact NZ-CB 3.28Å; K144-E291 PolarHBondContact NZ-O 3.03Å; K144-E291 IonicContact NZ-OE2 3.91Å; K144-E291 PolarHBondContact NZ-OE2 3.35Å; Y148-E291 PolarHBondContact OH-OE2 3.43Å; A286-E291 HydrophobicContact CB-CB 4.14Å; A286-E291 WeakPolarHBondContact O-CA 3.37Å; A286-E291 VanDerWaalsContact O-CB 3.24Å; A286-E291 WeakPolarHBondContact O-CB 3.41Å; A286-E291 PolarHBondContact O-N 3.11Å; H289-E291 HydrophobicContact CB-CG 4.27Å; H289-E291 PolarHBondContact O-N 3.14Å
292	L	97	Very high	96.7	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.058	21%	0.208	C	C	.	.	S	Bend	trans	-133.5	147.7	179.5	-62.2	-178.6	0	0	0	110.1	V145 Y148 L283 A286 Q287 V297	V145-L292 HydrophobicContact CG2-CD2 3.91Å; Y148-L292 HydrophobicContact CD2-CD1 4.3Å; Y148-L292 HydrophobicContact CE2-CD1 3.95Å; Y148-L292 HydrophobicContact CE2-CG 4.44Å; L283-L292 HydrophobicContact CD2-CD1 3.54Å; A286-L292 HydrophobicContact CB-CB 4.47Å; A286-L292 HydrophobicContact CB-CD1 3.83Å; A286-L292 HydrophobicContact CB-CG 3.97Å; A286-L292 PolarHBondContact O-N 2.88Å; Q287-L292 WeakPolarHBondContact CA-O 3.39Å; L292-V297 HydrophobicContact CB-CG2 4.05Å; L292-V297 HydrophobicContact CD1-CG2 4.32Å
293	S	97.5	Very high	96.8	Very high	66 Å²	66	35.7 Å²	35.7	46%	0.462	20%	0.203	S	C	.	.			trans	-78.4	155.6	171.1	66.9	0	0	0	0	111.5	D295 N296 V297	S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact O-N 3.26Å; S293-N296 PolarHBondContact O-N 3.31Å; S293-N296 WeakPolarHBondContact OG-CB 3.33Å; S293-N296 PolarHBondContact OG-N 3.5Å; S293-V297 PolarHBondContact O-N 3.46Å
294	A	96.9	Very high	96.7	Very high	38 Å²	38	36.2 Å²	36.2	31%	0.314	21%	0.205	S	C	.	.	H	α-helix	trans	-54.5	-43.8	174.9	0	0	0	0	0	112.2	N296 V297 R298	A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 2.89Å; A294-V297 PolarHBondContact O-N 3.1Å; A294-R298 PolarHBondContact O-N 3.03Å
295	D	96.7	Very high	96.4	Very high	69 Å²	69	36.3 Å²	36.3	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-38.2	176.3	-74.5	-22.2	0	0	0	112.6	S293 R298 Q299	S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact O-N 3.26Å; D295-R298 IonicContact OD1-CZ 3.85Å; D295-R298 VanDerWaalsContact OD1-CZ 3.29Å; D295-R298 IonicContact OD1-NH1 3.22Å; D295-R298 PolarHBondContact OD1-NH1 2.96Å; D295-R298 IonicContact OD1-NH2 2.81Å; D295-R298 PolarHBondContact OD1-NH2 2.9Å; D295-Q299 WeakPolarHBondContact O-CB 3.5Å; D295-Q299 PolarHBondContact O-N 2.99Å
296	N	97.5	Very high	96.3	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-38.6	177.8	-168.6	67.9	0	0	0	111.3	R131 G132 V145 S293 A294 Q299 C300	R131-N296 VanDerWaalsContact CA-OD1 3.28Å; R131-N296 WeakPolarHBondContact CA-OD1 3.25Å; R131-N296 HydrophobicContact CG-CB 4.42Å; G132-N296 PolarHBondContact N-OD1 3.24Å; V145-N296 VanDerWaalsContact CG2-ND2 3.29Å; V145-N296 WeakPolarHBondContact CG2-ND2 3.42Å; S293-N296 PolarHBondContact O-N 3.31Å; S293-N296 WeakPolarHBondContact OG-CB 3.33Å; S293-N296 PolarHBondContact OG-N 3.5Å; A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 2.89Å; N296-Q299 PolarHBondContact O-N 3.31Å; N296-C300 WeakPolarHBondContact O-CB 3.23Å; N296-C300 PolarHBondContact O-N 3.35Å; N296-C300 PolarHBondContact O-SG 3.35Å
297	V	98.2	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-49.7	172.6	170.6	0	0	0	0	111	L260 L283 Q287 L292 S293 A294 Q299 C300 V301	L260-V297 HydrophobicContact CD1-CG1 4.23Å; L260-V297 HydrophobicContact CD2-CG1 4.22Å; L283-V297 HydrophobicContact CB-CB 4.49Å; L283-V297 HydrophobicContact CB-CG1 3.89Å; L283-V297 HydrophobicContact CB-CG2 4.08Å; L283-V297 WeakPolarHBondContact O-CG2 3.24Å; Q287-V297 HydrophobicContact CB-CG2 3.8Å; L292-V297 HydrophobicContact CB-CG2 4.05Å; L292-V297 HydrophobicContact CD1-CG2 4.32Å; S293-V297 PolarHBondContact O-N 3.46Å; A294-V297 PolarHBondContact O-N 3.1Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 3.34Å; V297-C300 PolarHBondContact O-N 2.93Å; V297-C300 VanDerWaalsContact O-N 3.14Å; V297-V301 PolarHBondContact O-N 2.88Å
298	R	97.8	Very high	95.8	Very high	45 Å²	45	34.7 Å²	34.7	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-55	-48.8	175.7	-175	-178.9	61.5	-104.3	-1.4	111.6	Q253 M256 E257 L260 A294 D295 C300 V301 L302	Q253-R298 WeakPolarHBondContact O-CD 3.46Å; M256-R298 HydrophobicContact CB-CG 4.17Å; E257-R298 WeakPolarHBondContact OE2-CD 3.02Å; E257-R298 IonicContact OE2-NH1 2.92Å; E257-R298 PolarHBondContact OE2-NH1 3.48Å; L260-R298 HydrophobicContact CD1-CB 4.01Å; L260-R298 HydrophobicContact CD1-CG 4.32Å; A294-R298 PolarHBondContact O-N 3.03Å; D295-R298 IonicContact OD1-CZ 3.85Å; D295-R298 VanDerWaalsContact OD1-CZ 3.29Å; D295-R298 IonicContact OD1-NH1 3.22Å; D295-R298 PolarHBondContact OD1-NH1 2.96Å; D295-R298 IonicContact OD1-NH2 2.81Å; D295-R298 PolarHBondContact OD1-NH2 2.9Å; R298-C300 VanDerWaalsContact C-N 3.34Å; R298-C300 PolarHBondContact O-N 3.32Å; R298-V301 PolarHBondContact O-N 3.36Å; R298-L302 WeakPolarHBondContact O-CB 3.32Å; R298-L302 PolarHBondContact O-N 3.23Å
299	Q	98.3	Very high	95.6	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-37.5	178.6	-173.1	60.8	34	0	0	112.3	V126 G127 R131 Y221 D295 N296 V297 L302 E303	V126-Q299 PolarHBondContact O-OE1 3.32Å; G127-Q299 PolarHBondContact O-OE1 3.17Å; R131-Q299 HydrophobicContact CB-CB 3.99Å; R131-Q299 HydrophobicContact CB-CG 3.88Å; Y221-Q299 PolarHBondContact OH-NE2 3.48Å; D295-Q299 WeakPolarHBondContact O-CB 3.5Å; D295-Q299 PolarHBondContact O-N 2.99Å; N296-Q299 PolarHBondContact O-N 3.31Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 3.34Å; Q299-L302 PolarHBondContact O-N 2.98Å; Q299-E303 HydrophobicContact CG-CG 4.47Å; Q299-E303 PolarHBondContact NE2-OE1 3.07Å; Q299-E303 VanDerWaalsContact NE2-OE1 3.17Å; Q299-E303 WeakPolarHBondContact O-CB 3.3Å; Q299-E303 VanDerWaalsContact O-CG 3.31Å; Q299-E303 WeakPolarHBondContact O-CG 3.35Å; Q299-E303 PolarHBondContact O-N 3.01Å
300	C	98.3	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-43.1	179.1	-68.8	0	0	0	0	112.4	V145 F149 F279 L283 N296 V297 R298 E303 M304	V145-C300 WeakPolarHBondContact CG1-SG 3.47Å; F149-C300 HydrophobicContact CE2-CB 3.87Å; F149-C300 HydrophobicContact CZ-CB 3.99Å; F149-C300 WeakPolarHBondContact CZ-O 3.45Å; F279-C300 HydrophobicContact CE1-CB 4.5Å; F279-C300 HydrophobicContact CZ-CB 4.19Å; L283-C300 HydrophobicContact CD1-CB 3.5Å; L283-C300 HydrophobicContact CD2-CB 4.47Å; N296-C300 WeakPolarHBondContact O-CB 3.23Å; N296-C300 PolarHBondContact O-N 3.35Å; N296-C300 PolarHBondContact O-SG 3.35Å; V297-C300 PolarHBondContact O-N 2.93Å; V297-C300 VanDerWaalsContact O-N 3.14Å; R298-C300 VanDerWaalsContact C-N 3.34Å; R298-C300 PolarHBondContact O-N 3.32Å; C300-E303 PolarHBondContact O-N 3.5Å; C300-M304 PolarHBondContact O-N 2.74Å
301	V	96.9	Very high	95.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-65.1	-43.3	175.3	175	0	0	0	0	110.5	L205 L260 F279 A280 L283 V297 R298 E303 M304 V305	L205-V301 HydrophobicContact CD1-CG1 4.1Å; L260-V301 HydrophobicContact CD2-CG2 3.95Å; F279-V301 HydrophobicContact CE1-CG2 4.43Å; A280-V301 HydrophobicContact CB-CG2 4.2Å; L283-V301 HydrophobicContact CD1-CG2 3.84Å; V297-V301 PolarHBondContact O-N 2.88Å; R298-V301 PolarHBondContact O-N 3.36Å; V301-E303 PolarHBondContact O-N 2.81Å; V301-M304 PolarHBondContact O-N 3.26Å; V301-V305 HydrophobicContact CG1-CG2 4.46Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.45Å
302	L	96.6	Very high	95.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.9	-52.8	173.6	-169.7	158.8	0	0	0	110.9	Y221 L252 Q253 M256 R298 Q299 M304 V305 I306	Y221-L302 HydrophobicContact CD1-CD2 4.48Å; Y221-L302 HydrophobicContact CE1-CD2 3.86Å; Y221-L302 HydrophobicContact CE2-CD1 4.1Å; Y221-L302 HydrophobicContact CE2-CD2 4.05Å; L252-L302 HydrophobicContact CD2-CD1 4.23Å; L252-L302 HydrophobicContact CD2-CD2 4.23Å; L252-L302 HydrophobicContact CD2-CG 4.14Å; L252-L302 HydrophobicContact CG-CD1 4.18Å; L252-L302 HydrophobicContact CG-CG 4.38Å; Q253-L302 HydrophobicContact CG-CD1 3.82Å; M256-L302 HydrophobicContact CG-CB 3.8Å; M256-L302 HydrophobicContact CG-CD1 3.98Å; M256-L302 HydrophobicContact CG-CG 3.86Å; M256-L302 HydrophobicContact SD-CB 4.39Å; R298-L302 WeakPolarHBondContact O-CB 3.32Å; R298-L302 PolarHBondContact O-N 3.23Å; Q299-L302 PolarHBondContact O-N 2.98Å; L302-M304 VanDerWaalsContact C-N 3.28Å; L302-M304 PolarHBondContact O-N 2.91Å; L302-V305 PolarHBondContact O-N 3.45Å; L302-V305 VanDerWaalsContact O-N 3.1Å; L302-I306 HydrophobicContact CD2-CD1 3.79Å; L302-I306 HydrophobicContact CD2-CG1 4.29Å; L302-I306 HydrophobicContact CD2-CG2 3.91Å; L302-I306 WeakPolarHBondContact O-CG2 3.47Å; L302-I306 PolarHBondContact O-N 2.92Å
303	E	97.4	Very high	95.2	Very high	2 Å²	2	18 Å²	18	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-35.4	-179.6	-76.7	-175.4	-168.6	0	0	113	I133 I134 F149 Q299 C300 V301 A307	I133-E303 PolarHBondContact N-OE2 3.25Å; I134-E303 HydrophobicContact CD1-CB 3.93Å; I134-E303 HydrophobicContact CD1-CG 3.71Å; I134-E303 HydrophobicContact CG1-CB 4.36Å; I134-E303 HydrophobicContact CG1-CG 4.12Å; I134-E303 WeakPolarHBondContact CG1-OE2 3.34Å; I134-E303 PolarHBondContact N-OE2 2.9Å; F149-E303 HydrophobicContact CE1-CB 4.49Å; F149-E303 HydrophobicContact CZ-CB 4.21Å; Q299-E303 HydrophobicContact CG-CG 4.47Å; Q299-E303 PolarHBondContact NE2-OE1 3.07Å; Q299-E303 VanDerWaalsContact NE2-OE1 3.17Å; Q299-E303 WeakPolarHBondContact O-CB 3.3Å; Q299-E303 VanDerWaalsContact O-CG 3.31Å; Q299-E303 WeakPolarHBondContact O-CG 3.35Å; Q299-E303 PolarHBondContact O-N 3.01Å; C300-E303 PolarHBondContact O-N 3.5Å; V301-E303 PolarHBondContact O-N 2.81Å; E303-A307 WeakPolarHBondContact O-CB 3.32Å; E303-A307 PolarHBondContact O-N 2.95Å
304	M	95.3	Very high	95.2	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-66.6	-41.1	175	-172.7	64.5	81.5	0	0	111.9	F149 A152 L153 F204 F279 C300 V301 L302	F149-M304 HydrophobicContact CD1-CE 3.36Å; F149-M304 HydrophobicContact CD1-SD 4.28Å; F149-M304 HydrophobicContact CE1-CB 4.17Å; F149-M304 HydrophobicContact CE1-CE 3.76Å; F149-M304 HydrophobicContact CE1-SD 4.37Å; F149-M304 HydrophobicContact CG-CE 4.17Å; A152-M304 HydrophobicContact CB-CE 4.36Å; L153-M304 HydrophobicContact CD1-CE 4.02Å; L153-M304 HydrophobicContact CD1-SD 4.24Å; L153-M304 HydrophobicContact CD2-CE 4.24Å; L153-M304 HydrophobicContact CD2-SD 3.97Å; L153-M304 HydrophobicContact CG-CE 4.07Å; L153-M304 HydrophobicContact CG-SD 4.38Å; F204-M304 HydrophobicContact CB-CG 3.83Å; F204-M304 HydrophobicContact CD1-CE 4.3Å; F204-M304 HydrophobicContact CD1-CG 4.27Å; F204-M304 HydrophobicContact CD1-SD 4.25Å; F204-M304 HydrophobicContact CD2-CG 3.46Å; F204-M304 VanDerWaalsContact CD2-CG 3.46Å; F204-M304 HydrophobicContact CD2-SD 3.82Å; F204-M304 HydrophobicContact CE1-CE 4.44Å; F204-M304 HydrophobicContact CE1-SD 4.27Å; F204-M304 HydrophobicContact CE2-CG 4.11Å; F204-M304 HydrophobicContact CE2-SD 3.85Å; F204-M304 HydrophobicContact CG-CG 3.57Å; F204-M304 HydrophobicContact CG-SD 4.05Å; F204-M304 HydrophobicContact CZ-SD 4.09Å; F279-M304 HydrophobicContact CD1-CB 4.05Å; F279-M304 HydrophobicContact CD1-CE 3.88Å; F279-M304 HydrophobicContact CD1-CG 4Å; F279-M304 HydrophobicContact CD2-CE 3.87Å; F279-M304 HydrophobicContact CE1-CB 3.65Å; F279-M304 HydrophobicContact CE1-CE 3.79Å; F279-M304 HydrophobicContact CE1-CG 4.05Å; F279-M304 HydrophobicContact CE2-CE 3.78Å; F279-M304 HydrophobicContact CG-CE 3.89Å; F279-M304 HydrophobicContact CZ-CB 4.44Å; F279-M304 HydrophobicContact CZ-CE 3.72Å; C300-M304 PolarHBondContact O-N 2.74Å; V301-M304 PolarHBondContact O-N 3.26Å; L302-M304 VanDerWaalsContact C-N 3.28Å; L302-M304 PolarHBondContact O-N 2.91Å
305	V	91.4	Very high	95.2	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-72.4	-40.2	-177.7	171.2	0	0	0	0	112.3	L214 I218 M256 V301 L302 P309	L214-V305 HydrophobicContact CD2-CG1 4.22Å; I218-V305 HydrophobicContact CD1-CG1 3.96Å; M256-V305 HydrophobicContact CE-CG1 4.5Å; M256-V305 HydrophobicContact SD-CB 4.4Å; M256-V305 HydrophobicContact SD-CG2 4.31Å; V301-V305 HydrophobicContact CG1-CG2 4.46Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.45Å; L302-V305 PolarHBondContact O-N 3.45Å; L302-V305 VanDerWaalsContact O-N 3.1Å; V305-P309 WeakPolarHBondContact O-CD 3.41Å; V305-P309 WeakPolarHBondContact O-CG 3.44Å
306	I	92.2	Very high	95.3	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.015	6%	0.063	C	C	.	.	H	α-helix	trans	-78.4	-20.6	-178.2	69.1	172.8	0	0	0	113.7	M128 I218 Y221 L252 L302 A308 P309 D310	M128-I306 HydrophobicContact CE-CD1 4.26Å; I218-I306 HydrophobicContact CG1-CG2 4.08Å; I218-I306 HydrophobicContact CG2-CB 4.19Å; I218-I306 HydrophobicContact CG2-CG2 4.04Å; Y221-I306 HydrophobicContact CD1-CD1 3.94Å; Y221-I306 HydrophobicContact CE1-CD1 3.51Å; L252-I306 HydrophobicContact CD2-CG2 3.75Å; L302-I306 HydrophobicContact CD2-CD1 3.79Å; L302-I306 HydrophobicContact CD2-CG1 4.29Å; L302-I306 HydrophobicContact CD2-CG2 3.91Å; L302-I306 WeakPolarHBondContact O-CG2 3.47Å; L302-I306 PolarHBondContact O-N 2.92Å; I306-A308 PolarHBondContact O-N 2.89Å; I306-P309 WeakPolarHBondContact O-CD 2.94Å; I306-D310 PolarHBondContact O-N 3.42Å
307	A	92.1	Very high	95.3	Very high	45 Å²	45	10.3 Å²	10.3	37%	0.372	6%	0.063	S	C	.	.	H	α-helix	trans	-61.2	-46.2	-170.3	0	0	0	0	0	113.2	E303 T311	E303-A307 WeakPolarHBondContact O-CB 3.32Å; E303-A307 PolarHBondContact O-N 2.95Å; A307-T311 PolarHBondContact O-OG1 3.25Å
308	A	91.1	Very high	95.3	Very high	13 Å²	13	10.5 Å²	10.5	11%	0.107	6%	0.064	C	C	.	.	H	α-helix	trans	-78	-42.5	-176.3	0	0	0	0	0	113.9	V196 I306 D310 T311 L312 S313	V196-A308 HydrophobicContact CB-CB 4.17Å; V196-A308 HydrophobicContact CG2-CB 4.46Å; I306-A308 PolarHBondContact O-N 2.89Å; A308-D310 PolarHBondContact O-N 3.18Å; A308-T311 PolarHBondContact O-N 3.37Å; A308-L312 HydrophobicContact CB-CB 4.4Å; A308-L312 WeakPolarHBondContact O-CA 3.43Å; A308-L312 VanDerWaalsContact O-CB 3.26Å; A308-L312 WeakPolarHBondContact O-CB 3.26Å; A308-L312 PolarHBondContact O-N 3.09Å; A308-S313 PolarHBondContact O-N 3.32Å
309	P	91.4	Very high	95.3	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-56.4	-45.4	177.6	-27.5	36.2	0	0	0	113.9	V196 V197 I218 V305 I306 T311 S313	V196-P309 HydrophobicContact CG2-CB 4.23Å; V196-P309 HydrophobicContact CG2-CG 4.07Å; V197-P309 HydrophobicContact CG2-CB 4.19Å; V197-P309 HydrophobicContact CG2-CG 3.37Å; I218-P309 HydrophobicContact CD1-CG 4.2Å; I218-P309 HydrophobicContact CG2-CB 4.24Å; V305-P309 WeakPolarHBondContact O-CD 3.41Å; V305-P309 WeakPolarHBondContact O-CG 3.44Å; I306-P309 WeakPolarHBondContact O-CD 2.94Å; P309-T311 PolarHBondContact O-N 3.04Å; P309-S313 WeakPolarHBondContact O-CB 3.34Å; P309-S313 PolarHBondContact O-OG 3.21Å
310	D	85.5	Confident	95.2	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-83.6	-12.7	-174.4	-64.8	-37.1	0	0	0	114	F222 I306 A308 I314	F222-D310 WeakPolarHBondContact CB-OD2 3.12Å; F222-D310 HydrophobicContact CD2-CB 3.67Å; F222-D310 VanDerWaalsContact CD2-OD2 3.28Å; F222-D310 WeakPolarHBondContact CD2-OD2 3.29Å; F222-D310 HydrophobicContact CE2-CB 4.01Å; F222-D310 HydrophobicContact CG-CB 4.25Å; I306-D310 PolarHBondContact O-N 3.42Å; A308-D310 PolarHBondContact O-N 3.18Å; D310-I314 VanDerWaalsContact O-CD1 3.24Å; D310-I314 WeakPolarHBondContact O-CD1 3.42Å
311	T	94.9	Very high	95.1	Very high	55 Å²	55	8.5 Å²	8.5	34%	0.337	6%	0.056	S	C	.	.	H	α-helix	trans	-117.8	-50.9	-177.7	63.2	0	0	0	0	113.2	A307 A308 P309 S315 V371	A307-T311 PolarHBondContact O-OG1 3.25Å; A308-T311 PolarHBondContact O-N 3.37Å; P309-T311 PolarHBondContact O-N 3.04Å; T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.49Å; T311-S315 PolarHBondContact O-OG 3.39Å; T311-V371 HydrophobicContact CG2-CG2 4.17Å
312	L	96.9	Very high	95.1	Very high	11 Å²	11	8.5 Å²	8.5	6%	0.058	6%	0.056	C	C	.	.	H	α-helix	trans	-76.5	-40.8	-172.9	-164.1	144.4	0	0	0	111.3	V196 A308 I314 S315 L316 A444 M447 M448 I451	V196-L312 HydrophobicContact CG1-CD2 3.49Å; V196-L312 VanDerWaalsContact CG1-CD2 3.49Å; A308-L312 HydrophobicContact CB-CB 4.4Å; A308-L312 WeakPolarHBondContact O-CA 3.43Å; A308-L312 VanDerWaalsContact O-CB 3.26Å; A308-L312 WeakPolarHBondContact O-CB 3.26Å; A308-L312 PolarHBondContact O-N 3.09Å; L312-I314 PolarHBondContact O-N 3.4Å; L312-S315 PolarHBondContact O-N 2.94Å; L312-L316 HydrophobicContact CD2-CD1 3.43Å; L312-L316 VanDerWaalsContact CD2-CD1 3.43Å; L312-L316 HydrophobicContact CD2-CG 4.02Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 3.34Å; L312-A444 HydrophobicContact CD1-CB 4.21Å; L312-M447 HydrophobicContact CD1-CB 3.76Å; L312-M447 HydrophobicContact CD1-CE 4.23Å; L312-M447 HydrophobicContact CD1-SD 4.13Å; L312-M447 HydrophobicContact CD2-CB 4.49Å; L312-M447 HydrophobicContact CD2-CE 4.43Å; L312-M448 HydrophobicContact CD1-CG 4.08Å; L312-M448 HydrophobicContact CD2-CG 4.29Å; L312-M448 HydrophobicContact CG-CG 3.96Å; L312-I451 HydrophobicContact CD2-CD1 3.92Å
313	S	96.7	Very high	95	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.7	-42.8	177.1	80.7	0	0	0	0	111.9	R193 A308 P309 L316 F317	R193-S313 WeakPolarHBondContact CG-OG 3.29Å; A308-S313 PolarHBondContact O-N 3.32Å; P309-S313 WeakPolarHBondContact O-CB 3.34Å; P309-S313 PolarHBondContact O-OG 3.21Å; S313-L316 PolarHBondContact O-N 3.48Å; S313-F317 WeakPolarHBondContact O-CB 3.4Å; S313-F317 PolarHBondContact O-N 3.32Å
314	I	96.5	Very high	94.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.2	-40.1	178.4	-54.9	-175.6	0	0	0	110.3	L189 D310 L312 L316 F317 F318 V370 Q481	L189-I314 HydrophobicContact CD1-CG1 4.09Å; D310-I314 VanDerWaalsContact O-CD1 3.24Å; D310-I314 WeakPolarHBondContact O-CD1 3.42Å; L312-I314 PolarHBondContact O-N 3.4Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 2.89Å; I314-F317 WeakPolarHBondContact O-CB 3.36Å; I314-F317 PolarHBondContact O-N 3.15Å; I314-F318 HydrophobicContact CG2-CD2 3.99Å; I314-F318 HydrophobicContact CG2-CE2 3.57Å; I314-F318 HydrophobicContact CG2-CZ 3.92Å; I314-F318 WeakPolarHBondContact O-CG 3.37Å; I314-F318 PolarHBondContact O-N 3.09Å; I314-V370 HydrophobicContact CB-CG1 4.29Å; I314-V370 HydrophobicContact CB-CG2 3.94Å; I314-V370 HydrophobicContact CG2-CG1 4.31Å; I314-V370 HydrophobicContact CG2-CG2 3.67Å; I314-Q481 HydrophobicContact CD1-CB 4.12Å; I314-Q481 HydrophobicContact CD1-CG 3.56Å
315	S	98.4	Very high	94.7	Very high	13 Å²	13	16 Å²	16	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-44.9	175.8	-60.7	0	0	0	0	111	T311 L312 F318 M319 V370	T311-S315 WeakPolarHBondContact O-CB 3.41Å; T311-S315 PolarHBondContact O-N 3.49Å; T311-S315 PolarHBondContact O-OG 3.39Å; L312-S315 PolarHBondContact O-N 2.94Å; S315-F318 PolarHBondContact O-N 3.19Å; S315-M319 WeakPolarHBondContact O-CB 3.46Å; S315-M319 WeakPolarHBondContact O-CG 3.49Å; S315-M319 PolarHBondContact O-N 3.17Å; S315-V370 VanDerWaalsContact OG-CG2 3.28Å; S315-V370 WeakPolarHBondContact OG-CG2 3.47Å
316	L	98.4	Very high	94.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-41.2	174.8	-75	175.3	0	0	0	111.7	L192 L312 S313 I314 F318 M319 L320 M448 I451 L452	L192-L316 HydrophobicContact CD1-CB 3.82Å; L192-L316 HydrophobicContact CD2-CB 3.99Å; L192-L316 HydrophobicContact CD2-CD1 3.9Å; L192-L316 HydrophobicContact CG-CB 4.47Å; L312-L316 HydrophobicContact CD2-CD1 3.43Å; L312-L316 VanDerWaalsContact CD2-CD1 3.43Å; L312-L316 HydrophobicContact CD2-CG 4.02Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 3.34Å; S313-L316 PolarHBondContact O-N 3.48Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 2.89Å; L316-F318 PolarHBondContact O-N 3.45Å; L316-M319 HydrophobicContact CD2-SD 4.13Å; L316-M319 WeakPolarHBondContact O-CB 3.5Å; L316-M319 PolarHBondContact O-N 2.99Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.11Å; L316-M448 HydrophobicContact CD2-CB 4.24Å; L316-M448 HydrophobicContact CD2-CG 4.15Å; L316-M448 HydrophobicContact CG-CG 4.42Å; L316-I451 HydrophobicContact CD1-CB 4.09Å; L316-I451 HydrophobicContact CD1-CD1 3.74Å; L316-I451 HydrophobicContact CD1-CG2 3.74Å; L316-L452 HydrophobicContact CD2-CD1 4.08Å; L316-L452 HydrophobicContact CD2-CD2 3.88Å; L316-L452 HydrophobicContact CD2-CG 3.65Å
317	F	97.2	Very high	95	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-48	176.2	172.7	-95.6	0	0	0	111.4	A188 L189 L192 S313 I314 M319 L320 M321 I472 P482 L489 M491	A188-F317 HydrophobicContact CB-CD2 4.37Å; L189-F317 HydrophobicContact CB-CD2 4.24Å; L189-F317 HydrophobicContact CD1-CB 4.15Å; L189-F317 HydrophobicContact CD1-CG 4.49Å; L192-F317 HydrophobicContact CD1-CB 3.99Å; S313-F317 WeakPolarHBondContact O-CB 3.4Å; S313-F317 PolarHBondContact O-N 3.32Å; I314-F317 WeakPolarHBondContact O-CB 3.36Å; I314-F317 PolarHBondContact O-N 3.15Å; F317-M319 VanDerWaalsContact C-N 3.32Å; F317-M319 PolarHBondContact O-N 3.01Å; F317-L320 PolarHBondContact O-N 3.36Å; F317-M321 HydrophobicContact CE1-CG 4.08Å; F317-M321 HydrophobicContact CZ-CG 4.14Å; F317-M321 HydrophobicContact CZ-SD 4.26Å; F317-M321 WeakPolarHBondContact O-CG 3.47Å; F317-M321 PolarHBondContact O-N 3.41Å; F317-I472 HydrophobicContact CE1-CD1 4.08Å; F317-P482 HydrophobicContact CD1-CG 4.33Å; F317-P482 HydrophobicContact CE1-CB 4.32Å; F317-P482 HydrophobicContact CE1-CG 4.25Å; F317-L489 HydrophobicContact CE1-CD2 4.13Å; F317-L489 HydrophobicContact CE2-CB 4.05Å; F317-L489 WeakPolarHBondContact CE2-O 3.4Å; F317-L489 HydrophobicContact CZ-CB 4.01Å; F317-L489 HydrophobicContact CZ-CD2 3.69Å; F317-L489 HydrophobicContact CZ-CG 4.35Å; F317-M491 HydrophobicContact CD2-CE 3.67Å; F317-M491 HydrophobicContact CE2-CE 3.42Å; F317-M491 VanDerWaalsContact CE2-CE 3.42Å; F317-M491 HydrophobicContact CZ-CE 4.09Å
318	F	97.4	Very high	95.2	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.013	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-36.1	175.2	-66.4	-34.1	0	0	0	112.6	I314 S315 L316 M321 L322 H368 V370 L469 I472 P482	I314-F318 HydrophobicContact CG2-CD2 3.99Å; I314-F318 HydrophobicContact CG2-CE2 3.57Å; I314-F318 HydrophobicContact CG2-CZ 3.92Å; I314-F318 WeakPolarHBondContact O-CG 3.37Å; I314-F318 PolarHBondContact O-N 3.09Å; S315-F318 PolarHBondContact O-N 3.19Å; L316-F318 PolarHBondContact O-N 3.45Å; F318-M321 WeakPolarHBondContact O-CB 3.4Å; F318-M321 PolarHBondContact O-N 3.42Å; F318-L322 WeakPolarHBondContact O-CB 3.47Å; F318-L322 WeakPolarHBondContact O-CG 3.15Å; F318-L322 PolarHBondContact O-N 2.88Å; F318-H368 AromaticContact CD1-CD2 3.98Å; F318-H368 AromaticContact CD2-CD2 3.52Å; F318-H368 AromaticContact CE1-NE2 3.91Å; F318-H368 AromaticContact CE2-CD2 3.67Å; F318-H368 AromaticContact CE2-NE2 3.98Å; F318-H368 AromaticContact CG-CD2 3.66Å; F318-H368 AromaticContact CZ-CD2 3.98Å; F318-H368 AromaticContact CZ-NE2 3.82Å; F318-V370 HydrophobicContact CD2-CG2 3.76Å; F318-V370 HydrophobicContact CE2-CG2 3.85Å; F318-L469 HydrophobicContact CB-CD2 4.16Å; F318-L469 HydrophobicContact CD1-CD2 3.46Å; F318-L469 VanDerWaalsContact CD1-CD2 3.46Å; F318-L469 HydrophobicContact CE1-CD2 4.16Å; F318-L469 HydrophobicContact CG-CD2 4.1Å; F318-I472 HydrophobicContact CD1-CD1 4.32Å; F318-I472 HydrophobicContact CE1-CD1 3.83Å; F318-P482 HydrophobicContact CE1-CB 4.49Å; F318-P482 HydrophobicContact CE1-CG 4.47Å
319	M	98.3	Very high	95.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-43.8	172.1	-73.4	166	-167.9	0	0	111.8	S315 L316 F317 M321 L322 L323 F360 I361 L365 M448 L452	S315-M319 WeakPolarHBondContact O-CB 3.46Å; S315-M319 WeakPolarHBondContact O-CG 3.49Å; S315-M319 PolarHBondContact O-N 3.17Å; L316-M319 HydrophobicContact CD2-SD 4.13Å; L316-M319 WeakPolarHBondContact O-CB 3.5Å; L316-M319 PolarHBondContact O-N 2.99Å; F317-M319 VanDerWaalsContact C-N 3.32Å; F317-M319 PolarHBondContact O-N 3.01Å; M319-M321 VanDerWaalsContact C-N 3.33Å; M319-M321 PolarHBondContact O-N 3.17Å; M319-L322 PolarHBondContact O-N 3.12Å; M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.31Å; M319-F360 HydrophobicContact CB-CE1 3.81Å; M319-F360 HydrophobicContact CB-CZ 3.74Å; M319-F360 HydrophobicContact CG-CE1 3.93Å; M319-F360 HydrophobicContact CG-CZ 4.05Å; M319-F360 WeakPolarHBondContact O-CZ 3.37Å; M319-F360 HydrophobicContact SD-CE1 4.49Å; M319-I361 HydrophobicContact CE-CB 4.39Å; M319-I361 HydrophobicContact CE-CG1 4.49Å; M319-I361 HydrophobicContact CE-CG2 3.9Å; M319-I361 HydrophobicContact SD-CG1 4.32Å; M319-L365 HydrophobicContact CE-CD2 4.04Å; M319-L365 HydrophobicContact CE-CG 4.05Å; M319-M448 HydrophobicContact CE-SD 3.68Å; M319-M448 HydrophobicContact SD-SD 4.33Å; M319-L452 HydrophobicContact SD-CD1 4Å
320	L	97.2	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-39.7	176.4	-66.8	-177.3	0	0	0	111.9	L192 L316 F317 L323 K324 L452 L455 V461 M491	L192-L320 HydrophobicContact CD1-CD1 4Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.11Å; F317-L320 PolarHBondContact O-N 3.36Å; L320-L323 HydrophobicContact CD2-CD1 4.44Å; L320-K324 PolarHBondContact O-N 3.15Å; L320-L452 HydrophobicContact CD2-CD2 4.15Å; L320-L455 HydrophobicContact CD1-CD1 4.13Å; L320-L455 HydrophobicContact CD2-CD1 4.19Å; L320-L455 HydrophobicContact CD2-CD2 4.01Å; L320-V461 HydrophobicContact CB-CG2 4.06Å; L320-V461 HydrophobicContact CD2-CG1 4.31Å; L320-V461 HydrophobicContact CD2-CG2 3.94Å; L320-V461 HydrophobicContact CG-CG2 4.46Å; L320-M491 HydrophobicContact CB-CE 3.87Å; L320-M491 HydrophobicContact CB-SD 3.95Å; L320-M491 HydrophobicContact CD1-SD 4.11Å
321	M	95.5	Very high	96.1	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-45.9	172.3	-66.7	-68.5	-68.1	0	0	111.6	F317 F318 M319 L323 K324 Q325 P463 C467 T468 L469 I472 M491	F317-M321 HydrophobicContact CE1-CG 4.08Å; F317-M321 HydrophobicContact CZ-CG 4.14Å; F317-M321 HydrophobicContact CZ-SD 4.26Å; F317-M321 WeakPolarHBondContact O-CG 3.47Å; F317-M321 PolarHBondContact O-N 3.41Å; F318-M321 WeakPolarHBondContact O-CB 3.4Å; F318-M321 PolarHBondContact O-N 3.42Å; M319-M321 VanDerWaalsContact C-N 3.33Å; M319-M321 PolarHBondContact O-N 3.17Å; M321-L323 PolarHBondContact O-N 3.46Å; M321-K324 PolarHBondContact O-N 3.41Å; M321-Q325 WeakPolarHBondContact O-CG 3.47Å; M321-Q325 PolarHBondContact O-N 3.24Å; M321-P463 HydrophobicContact CE-CB 4.18Å; M321-P463 HydrophobicContact CE-CG 4.12Å; M321-P463 HydrophobicContact SD-CB 3.69Å; M321-P463 HydrophobicContact SD-CG 3.32Å; M321-P463 WeakPolarHBondContact SD-CG 3.32Å; M321-C467 HydrophobicContact CE-CB 4.38Å; M321-T468 VanDerWaalsContact CE-C 3.45Å; M321-L469 HydrophobicContact CB-CD2 3.72Å; M321-L469 HydrophobicContact CB-CG 3.92Å; M321-L469 HydrophobicContact CG-CD2 4.13Å; M321-I472 HydrophobicContact CE-CG2 4.18Å; M321-M491 HydrophobicContact CG-CE 3.69Å; M321-M491 HydrophobicContact SD-CE 3.49Å; M321-M491 WeakPolarHBondContact SD-CE 3.46Å
322	L	96.5	Very high	96.1	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-40.1	179.6	-77	163.5	0	0	0	112.8	F318 M319 K324 Q325 N326 F360 F367 F414 L469	F318-L322 WeakPolarHBondContact O-CB 3.47Å; F318-L322 WeakPolarHBondContact O-CG 3.15Å; F318-L322 PolarHBondContact O-N 2.88Å; M319-L322 PolarHBondContact O-N 3.12Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 3.42Å; L322-Q325 PolarHBondContact O-N 3.13Å; L322-N326 WeakPolarHBondContact O-CB 3.46Å; L322-N326 PolarHBondContact O-N 3.41Å; L322-N326 PolarHBondContact O-ND2 2.91Å; L322-F360 HydrophobicContact CB-CE2 4.28Å; L322-F367 HydrophobicContact CD2-CD1 4.09Å; L322-F367 HydrophobicContact CD2-CE1 4.28Å; L322-F414 HydrophobicContact CB-CE2 4.36Å; L322-F414 HydrophobicContact CB-CZ 4.3Å; L322-F414 HydrophobicContact CD1-CD2 4.1Å; L322-F414 HydrophobicContact CD1-CE2 3.73Å; L322-F414 HydrophobicContact CD1-CZ 4.44Å; L322-F414 HydrophobicContact CD2-CB 4.44Å; L322-F414 HydrophobicContact CD2-CD1 4.46Å; L322-F414 HydrophobicContact CD2-CD2 3.65Å; L322-F414 HydrophobicContact CD2-CE2 3.95Å; L322-F414 HydrophobicContact CD2-CG 3.93Å; L322-F414 HydrophobicContact CD2-CZ 4.47Å; L322-F414 HydrophobicContact CG-CD2 4.4Å; L322-F414 HydrophobicContact CG-CE2 4.22Å; L322-L469 HydrophobicContact CD1-CD1 4.08Å; L322-L469 HydrophobicContact CD2-CD1 3.45Å; L322-L469 VanDerWaalsContact CD2-CD1 3.45Å; L322-L469 HydrophobicContact CG-CD1 3.5Å; L322-L469 HydrophobicContact CG-CG 4.47Å
323	L	95.8	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-44	176.4	-73.4	172.2	0	0	0	111.1	M319 L320 M321 Q325 N326 V329 E330 I333 F360 L456	M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.31Å; L320-L323 HydrophobicContact CD2-CD1 4.44Å; M321-L323 PolarHBondContact O-N 3.46Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 2.78Å; L323-N326 CarbonylContact O-C 3.49Å; L323-N326 PolarHBondContact O-N 3.21Å; L323-N326 VanDerWaalsContact O-N 3.09Å; L323-V329 HydrophobicContact CD2-CG1 4.43Å; L323-E330 HydrophobicContact CB-CB 4.45Å; L323-E330 HydrophobicContact CD2-CB 4.09Å; L323-I333 HydrophobicContact CD2-CD1 3.68Å; L323-F360 HydrophobicContact CD1-CE1 4.35Å; L323-F360 HydrophobicContact CD1-CZ 4.13Å; L323-F360 HydrophobicContact CD2-CD2 4.03Å; L323-F360 HydrophobicContact CD2-CE1 4.1Å; L323-F360 HydrophobicContact CD2-CE2 3.53Å; L323-F360 HydrophobicContact CD2-CZ 3.59Å; L323-F360 HydrophobicContact CG-CE1 4.15Å; L323-F360 HydrophobicContact CG-CE2 3.84Å; L323-F360 HydrophobicContact CG-CZ 3.49Å; L323-F360 VanDerWaalsContact CG-CZ 3.49Å; L323-L456 HydrophobicContact CD1-CD1 3.81Å; L323-L456 HydrophobicContact CD1-CD2 3.86Å; L323-L456 HydrophobicContact CD1-CG 4.41Å
324	K	92.8	Very high	95.8	Very high	98 Å²	98	31 Å²	31	43%	0.426	16%	0.155	S	C	.	.	H	α-helix	trans	-63.9	-37.2	177.9	-177.7	61.9	177.6	179	0	112.6	L320 M321 L322 N326 C462 P463	L320-K324 PolarHBondContact O-N 3.15Å; M321-K324 PolarHBondContact O-N 3.41Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 3.42Å; K324-N326 PolarHBondContact O-N 2.74Å; K324-C462 PolarHBondContact NZ-SG 3.24Å; K324-P463 HydrophobicContact CB-CG 4.32Å; K324-P463 HydrophobicContact CG-CG 4.49Å
325	Q	93.4	Very high	95.6	Very high	73 Å²	73	36.1 Å²	36.1	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-73.7	-14.6	177.5	-66.3	-178	-98.1	0	0	112.8	M321 L322 L323 L469	M321-Q325 WeakPolarHBondContact O-CG 3.47Å; M321-Q325 PolarHBondContact O-N 3.24Å; L322-Q325 PolarHBondContact O-N 3.13Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 2.78Å; Q325-L469 VanDerWaalsContact OE1-N 3.08Å
326	N	95.4	Very high	95.3	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	18%	0.18	C	C	.	.			trans	-134.3	68.7	-177.2	-58.6	-88.9	0	0	0	110.6	L322 L323 K324 D328 V329 E330 F414	L322-N326 WeakPolarHBondContact O-CB 3.46Å; L322-N326 PolarHBondContact O-N 3.41Å; L322-N326 PolarHBondContact O-ND2 2.91Å; L323-N326 CarbonylContact O-C 3.49Å; L323-N326 PolarHBondContact O-N 3.21Å; L323-N326 VanDerWaalsContact O-N 3.09Å; K324-N326 PolarHBondContact O-N 2.74Å; N326-D328 PolarHBondContact O-N 3.47Å; N326-V329 HydrophobicContact CB-CB 4.1Å; N326-V329 HydrophobicContact CB-CG2 4Å; N326-V329 WeakPolarHBondContact O-CB 3.49Å; N326-V329 PolarHBondContact O-N 3.2Å; N326-E330 PolarHBondContact O-N 3.23Å; N326-F414 HydrophobicContact CB-CD1 4.39Å; N326-F414 HydrophobicContact CB-CE1 4.23Å; N326-F414 VanDerWaalsContact ND2-CD1 3.33Å; N326-F414 WeakPolarHBondContact ND2-CD1 3.48Å
327	P	93.9	Very high	94.9	Very high	84 Å²	84	36.6 Å²	36.6	55%	0.545	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-25.2	-173	25.5	-35.2	0	0	0	113.9	V329 E330 L331	P327-V329 VanDerWaalsContact C-N 3.32Å; P327-E330 PolarHBondContact O-N 3.18Å; P327-L331 PolarHBondContact O-N 2.81Å
328	D	95.9	Very high	94.4	Very high	92 Å²	92	41.1 Å²	41.1	49%	0.492	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-37.2	172.6	65	-58.5	0	0	0	111.8	N326 L331 R332	N326-D328 PolarHBondContact O-N 3.47Å; D328-L331 PolarHBondContact O-N 2.77Å; D328-R332 WeakPolarHBondContact O-CG 3.11Å; D328-R332 PolarHBondContact O-N 2.84Å; D328-R332 VanDerWaalsContact O-N 3.11Å
329	V	96.8	Very high	93.8	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-43.8	175.3	174.6	0	0	0	0	110.6	L323 N326 P327 L331 R332 I333 F360 L416	L323-V329 HydrophobicContact CD2-CG1 4.43Å; N326-V329 HydrophobicContact CB-CB 4.1Å; N326-V329 HydrophobicContact CB-CG2 4Å; N326-V329 WeakPolarHBondContact O-CB 3.49Å; N326-V329 PolarHBondContact O-N 3.2Å; P327-V329 VanDerWaalsContact C-N 3.32Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.81Å; V329-R332 PolarHBondContact O-N 2.77Å; V329-I333 HydrophobicContact CG1-CD1 3.82Å; V329-I333 HydrophobicContact CG1-CG1 4.45Å; V329-I333 VanDerWaalsContact O-CG1 3.32Å; V329-I333 WeakPolarHBondContact O-CG1 3.43Å; V329-I333 PolarHBondContact O-N 2.78Å; V329-F360 HydrophobicContact CG1-CB 4.4Å; V329-F360 HydrophobicContact CG1-CD2 3.68Å; V329-F360 HydrophobicContact CG1-CE2 4.44Å; V329-F360 HydrophobicContact CG1-CG 4.34Å; V329-L416 HydrophobicContact CG1-CD1 3.89Å; V329-L416 HydrophobicContact CG1-CD2 4.47Å; V329-L416 HydrophobicContact CG1-CG 4.38Å; V329-L416 HydrophobicContact CG2-CD1 4.11Å; V329-L416 HydrophobicContact CG2-CG 4.14Å
330	E	95.4	Very high	92.9	Very high	13 Å²	13	45 Å²	45	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-43.5	175	-172.2	-179.1	-176.4	0	0	111.2	L323 N326 P327 I333 V334 T460 R496	L323-E330 HydrophobicContact CB-CB 4.45Å; L323-E330 HydrophobicContact CD2-CB 4.09Å; N326-E330 PolarHBondContact O-N 3.23Å; P327-E330 PolarHBondContact O-N 3.18Å; E330-I333 PolarHBondContact O-N 2.75Å; E330-V334 WeakPolarHBondContact O-CG2 3.36Å; E330-V334 PolarHBondContact O-N 3.45Å; E330-T460 WeakPolarHBondContact OE1-CB 3.28Å; E330-T460 PolarHBondContact OE1-OG1 3.08Å; E330-T460 PolarHBondContact OE2-OG1 3.5Å; E330-R496 VanDerWaalsContact CD-NH2 3.33Å; E330-R496 IonicContact OE1-CZ 3.46Å; E330-R496 IonicContact OE1-NH2 2.65Å; E330-R496 PolarHBondContact OE1-NH2 2.65Å
331	L	94.8	Very high	91.7	Very high	101 Å²	101	46.6 Å²	46.6	53%	0.529	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-49.2	177	-179.8	62.6	0	0	0	111.8	P327 D328 V329 I333 V334 E335	P327-L331 PolarHBondContact O-N 2.81Å; D328-L331 PolarHBondContact O-N 2.77Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.81Å; L331-I333 VanDerWaalsContact C-N 3.31Å; L331-I333 PolarHBondContact O-N 2.97Å; L331-V334 PolarHBondContact O-N 3.04Å; L331-V334 VanDerWaalsContact O-N 3.14Å; L331-E335 HydrophobicContact CD1-CG 4.42Å; L331-E335 WeakPolarHBondContact O-CG 3.38Å; L331-E335 PolarHBondContact O-N 2.75Å
332	R	95.5	Very high	89.8	Confident	108 Å²	108	50.2 Å²	50.2	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-38.4	178.8	-71.1	171.4	62.1	-178.9	1.4	112.7	D328 V329 E336 V356	D328-R332 WeakPolarHBondContact O-CG 3.11Å; D328-R332 PolarHBondContact O-N 2.84Å; D328-R332 VanDerWaalsContact O-N 3.11Å; V329-R332 PolarHBondContact O-N 2.77Å; R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.31Å; R332-V356 HydrophobicContact CB-CG1 4.03Å
333	I	95.1	Very high	87.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-44.4	175.5	-71	166.5	0	0	0	110.1	L323 V329 E330 L331 E336 M337 V356 L357 F360 L456	L323-I333 HydrophobicContact CD2-CD1 3.68Å; V329-I333 HydrophobicContact CG1-CD1 3.82Å; V329-I333 HydrophobicContact CG1-CG1 4.45Å; V329-I333 VanDerWaalsContact O-CG1 3.32Å; V329-I333 WeakPolarHBondContact O-CG1 3.43Å; V329-I333 PolarHBondContact O-N 2.78Å; E330-I333 PolarHBondContact O-N 2.75Å; L331-I333 VanDerWaalsContact C-N 3.31Å; L331-I333 PolarHBondContact O-N 2.97Å; I333-E336 PolarHBondContact O-N 3.44Å; I333-M337 HydrophobicContact CG2-CG 4.33Å; I333-M337 HydrophobicContact CG2-SD 3.68Å; I333-M337 WeakPolarHBondContact O-CB 3.39Å; I333-M337 WeakPolarHBondContact O-CG 3.39Å; I333-M337 PolarHBondContact O-N 3.15Å; I333-V356 HydrophobicContact CG1-CG1 3.83Å; I333-L357 HydrophobicContact CD1-CD1 4.32Å; I333-L357 HydrophobicContact CG2-CD1 4.04Å; I333-F360 HydrophobicContact CD1-CB 3.77Å; I333-F360 HydrophobicContact CD1-CD1 3.9Å; I333-F360 HydrophobicContact CD1-CD2 4.09Å; I333-F360 HydrophobicContact CD1-CG 3.62Å; I333-L456 HydrophobicContact CG2-CD1 4.01Å
334	V	92.5	Very high	85.8	Confident	15 Å²	15	65.9 Å²	65.9	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-39.4	179.2	171.3	0	0	0	0	111.6	E330 L331 M337 N338	E330-V334 WeakPolarHBondContact O-CG2 3.36Å; E330-V334 PolarHBondContact O-N 3.45Å; L331-V334 PolarHBondContact O-N 3.04Å; L331-V334 VanDerWaalsContact O-N 3.14Å; V334-M337 PolarHBondContact O-N 3.02Å; V334-N338 WeakPolarHBondContact O-CB 3.16Å; V334-N338 PolarHBondContact O-N 3.02Å; V334-N338 PolarHBondContact O-ND2 3.46Å
335	E	92.3	Very high	84.4	Confident	109 Å²	109	64 Å²	64	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-46	173.6	-72.7	172.3	170.8	0	0	111.8	L331 M337 N338 S339	L331-E335 HydrophobicContact CD1-CG 4.42Å; L331-E335 WeakPolarHBondContact O-CG 3.38Å; L331-E335 PolarHBondContact O-N 2.75Å; E335-M337 PolarHBondContact O-N 2.72Å; E335-N338 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-N 3.27Å
336	E	92.4	Very high	82.9	Confident	22 Å²	22	62.1 Å²	62.1	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-49.7	173.5	175.8	175.5	-105.5	0	0	110.6	R332 I333 N338 S339 V340 L354 I355 V356 L357	R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.31Å; I333-E336 PolarHBondContact O-N 3.44Å; E336-N338 PolarHBondContact O-N 3.36Å; E336-S339 PolarHBondContact O-N 2.97Å; E336-S339 PolarHBondContact O-OG 3.35Å; E336-V340 WeakPolarHBondContact O-CG2 3.36Å; E336-V340 PolarHBondContact O-N 2.98Å; E336-V340 VanDerWaalsContact O-N 3.09Å; E336-L354 HydrophobicContact CG-CD2 4.19Å; E336-L354 VanDerWaalsContact OE2-C 3.28Å; E336-L354 VanDerWaalsContact OE2-CA 3.3Å; E336-L354 WeakPolarHBondContact OE2-CA 3.34Å; E336-I355 VanDerWaalsContact CD-N 3.34Å; E336-I355 WeakPolarHBondContact OE1-CA 3.14Å; E336-I355 PolarHBondContact OE1-N 3.22Å; E336-I355 PolarHBondContact OE2-N 3.14Å; E336-V356 HydrophobicContact CB-CB 4.43Å; E336-V356 HydrophobicContact CB-CG2 4.44Å; E336-V356 VanDerWaalsContact CD-N 3.3Å; E336-V356 WeakPolarHBondContact OE1-CG2 3.36Å; E336-V356 PolarHBondContact OE1-N 3.35Å; E336-V356 WeakPolarHBondContact OE2-CB 3.38Å; E336-V356 PolarHBondContact OE2-N 3.4Å; E336-V356 VanDerWaalsContact OE2-N 3.12Å; E336-L357 PolarHBondContact OE2-N 2.98Å
337	M	89.5	Confident	81.2	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-56.1	-51.4	177.4	-75.4	169.4	49.8	0	0	111.1	I333 V334 E335 S339 V340 L341 L354 V453 L456 S457	I333-M337 HydrophobicContact CG2-CG 4.33Å; I333-M337 HydrophobicContact CG2-SD 3.68Å; I333-M337 WeakPolarHBondContact O-CB 3.39Å; I333-M337 WeakPolarHBondContact O-CG 3.39Å; I333-M337 PolarHBondContact O-N 3.15Å; V334-M337 PolarHBondContact O-N 3.02Å; E335-M337 PolarHBondContact O-N 2.72Å; M337-S339 VanDerWaalsContact C-N 3.29Å; M337-S339 PolarHBondContact O-N 3.4Å; M337-V340 PolarHBondContact O-N 3.14Å; M337-V340 VanDerWaalsContact O-N 3.16Å; M337-L341 HydrophobicContact CB-CD1 4.07Å; M337-L341 WeakPolarHBondContact O-CB 3.32Å; M337-L341 WeakPolarHBondContact O-CD1 3.28Å; M337-L341 WeakPolarHBondContact O-CG 3.4Å; M337-L341 PolarHBondContact O-N 3.17Å; M337-L354 HydrophobicContact CG-CD2 4.5Å; M337-V453 HydrophobicContact CE-CB 4.43Å; M337-V453 HydrophobicContact CE-CG1 4.11Å; M337-V453 WeakPolarHBondContact CE-O 3.37Å; M337-V453 HydrophobicContact CG-CG2 4.31Å; M337-V453 HydrophobicContact SD-CG2 4.33Å; M337-L456 HydrophobicContact CE-CB 3.99Å; M337-L456 HydrophobicContact SD-CB 4.12Å; M337-S457 WeakPolarHBondContact CE-OG 3.27Å
338	N	85.3	Confident	79.6	Confident	96 Å²	96	68.9 Å²	68.9	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-39.6	179.6	-73.1	-22.6	0	0	0	112.2	V334 E335 E336 V340 L341 S342	V334-N338 WeakPolarHBondContact O-CB 3.16Å; V334-N338 PolarHBondContact O-N 3.02Å; V334-N338 PolarHBondContact O-ND2 3.46Å; E335-N338 PolarHBondContact O-N 3.09Å; E336-N338 PolarHBondContact O-N 3.36Å; N338-V340 VanDerWaalsContact C-N 3.34Å; N338-V340 PolarHBondContact O-N 2.92Å; N338-L341 PolarHBondContact O-N 3.06Å; N338-S342 PolarHBondContact O-N 2.89Å; N338-S342 PolarHBondContact O-OG 3.38Å; N338-S342 VanDerWaalsContact O-OG 3.11Å
339	S	84.6	Confident	78.2	Confident	70 Å²	70	65.1 Å²	65.1	49%	0.49	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-36.8	178.2	78.4	0	0	0	0	112.6	E335 E336 M337 S342	E335-S339 PolarHBondContact O-N 3.27Å; E336-S339 PolarHBondContact O-N 2.97Å; E336-S339 PolarHBondContact O-OG 3.35Å; M337-S339 VanDerWaalsContact C-N 3.29Å; M337-S339 PolarHBondContact O-N 3.4Å; S339-S342 PolarHBondContact O-OG 3.33Å
340	V	79.6	Confident	76.9	Confident	15 Å²	15	68.3 Å²	68.3	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-84	-28.2	179.4	-177.6	0	0	0	0	111.9	E336 M337 N338 S342 I349 R353 L354	E336-V340 WeakPolarHBondContact O-CG2 3.36Å; E336-V340 PolarHBondContact O-N 2.98Å; E336-V340 VanDerWaalsContact O-N 3.09Å; M337-V340 PolarHBondContact O-N 3.14Å; M337-V340 VanDerWaalsContact O-N 3.16Å; N338-V340 VanDerWaalsContact C-N 3.34Å; N338-V340 PolarHBondContact O-N 2.92Å; V340-S342 VanDerWaalsContact C-N 3.34Å; V340-I349 HydrophobicContact CG1-CG2 3.78Å; V340-R353 HydrophobicContact CG2-CB 4.17Å; V340-L354 HydrophobicContact CB-CD2 4.47Å; V340-L354 HydrophobicContact CG2-CD2 4.36Å
341	L	71.9	Confident	75.7	Confident	33 Å²	33	68.9 Å²	68.9	17%	0.173	35%	0.353	C	S	.	.	H	α-helix	trans	-77.3	-14.1	178.9	-79.9	168.8	0	0	0	114	M337 N338 E343 K344 V346 I349	M337-L341 HydrophobicContact CB-CD1 4.07Å; M337-L341 WeakPolarHBondContact O-CB 3.32Å; M337-L341 WeakPolarHBondContact O-CD1 3.28Å; M337-L341 WeakPolarHBondContact O-CG 3.4Å; M337-L341 PolarHBondContact O-N 3.17Å; N338-L341 PolarHBondContact O-N 3.06Å; L341-E343 PolarHBondContact O-N 3.36Å; L341-K344 PolarHBondContact O-N 2.8Å; L341-V346 HydrophobicContact CD2-CG2 4.14Å; L341-I349 HydrophobicContact CD2-CD1 3.44Å; L341-I349 VanDerWaalsContact CD2-CD1 3.44Å; L341-I349 HydrophobicContact CD2-CG1 3.8Å; L341-I349 HydrophobicContact CG-CD1 4.03Å; L341-I349 HydrophobicContact CG-CG1 4.46Å
342	S	55.8	Low	74.7	Confident	81 Å²	81	72 Å²	72	57%	0.566	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.4	99.1	178.9	-41.8	0	0	0	0	111.7	N338 S339 V340	N338-S342 PolarHBondContact O-N 2.89Å; N338-S342 PolarHBondContact O-OG 3.38Å; N338-S342 VanDerWaalsContact O-OG 3.11Å; S339-S342 PolarHBondContact O-OG 3.33Å; V340-S342 VanDerWaalsContact C-N 3.34Å
343	E	52.3	Low	74.1	Confident	204 Å²	204	73.6 Å²	73.6	95%	0.953	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	4.8	179.2	-54.2	-178.9	176.7	0	0	119.3	L341	L341-E343 PolarHBondContact O-N 3.36Å
344	K	55.9	Low	73.9	Confident	128 Å²	128	73.6 Å²	73.6	56%	0.557	37%	0.371	S	S	*	.	S	Bend	trans	-117.5	140.1	-178.6	-71.7	-178.2	-176.8	178.7	0	112.9	L341 K348	L341-K344 PolarHBondContact O-N 2.8Å; K344-K348 HydrophobicContact CB-CB 4.17Å; K344-K348 HydrophobicContact CD-CB 4.35Å
345	A	63.4	Low	73.8	Confident	59 Å²	59	78.2 Å²	78.2	49%	0.488	39%	0.394	S	S	.	.			trans	-56.6	148.6	168.2	0	0	0	0	0	110.5	E347 K348	A345-E347 PolarHBondContact O-N 3.02Å; A345-K348 PolarHBondContact O-N 3.35Å
346	V	62.9	Low	74	Confident	33 Å²	33	74.3 Å²	74.3	20%	0.2	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-51.8	-34.1	-177.2	178.1	0	0	0	0	112.5	V166 L341 K348 I349 V453	V166-V346 HydrophobicContact CG1-CB 4.04Å; V166-V346 HydrophobicContact CG1-CG1 3.95Å; V166-V346 HydrophobicContact CG2-CG1 3.72Å; L341-V346 HydrophobicContact CD2-CG2 4.14Å; V346-K348 PolarHBondContact O-N 3.5Å; V346-I349 HydrophobicContact CB-CD1 4.36Å; V346-I349 HydrophobicContact CG1-CD1 3.96Å; V346-I349 WeakPolarHBondContact O-CB 3.16Å; V346-I349 WeakPolarHBondContact O-CD1 3.36Å; V346-I349 VanDerWaalsContact O-CG1 3.26Å; V346-I349 WeakPolarHBondContact O-CG1 3.23Å; V346-I349 PolarHBondContact O-N 3.01Å; V346-V453 HydrophobicContact CG1-CG1 3.82Å
347	E	59.9	Low	74.2	Confident	109 Å²	109	73.2 Å²	73.2	51%	0.509	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19	178.6	-58.5	175	171	0	0	114.2	V166 A345	V166-E347 HydrophobicContact CB-CG 4.02Å; V166-E347 HydrophobicContact CG1-CG 3.78Å; V166-E347 HydrophobicContact CG2-CG 4.38Å; A345-E347 PolarHBondContact O-N 3.02Å
348	K	60	Low	74.6	Confident	151 Å²	151	77 Å²	77	66%	0.657	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-102.1	9.5	-178.7	-62.6	-177.2	-179	178.8	0	112.6	K344 A345 V346 D350	K344-K348 HydrophobicContact CB-CB 4.17Å; K344-K348 HydrophobicContact CD-CB 4.35Å; A345-K348 PolarHBondContact O-N 3.35Å; V346-K348 PolarHBondContact O-N 3.5Å; K348-D350 PolarHBondContact O-N 3.26Å
349	I	65.8	Low	75.1	Confident	12 Å²	12	73.6 Å²	73.6	6%	0.062	37%	0.374	C	S	.	.			trans	-66.9	132.1	175.8	-68.7	170.6	0	0	0	109.3	V340 L341 V346 H351 L354 V453	V340-I349 HydrophobicContact CG1-CG2 3.78Å; L341-I349 HydrophobicContact CD2-CD1 3.44Å; L341-I349 VanDerWaalsContact CD2-CD1 3.44Å; L341-I349 HydrophobicContact CD2-CG1 3.8Å; L341-I349 HydrophobicContact CG-CD1 4.03Å; L341-I349 HydrophobicContact CG-CG1 4.46Å; V346-I349 HydrophobicContact CB-CD1 4.36Å; V346-I349 HydrophobicContact CG1-CD1 3.96Å; V346-I349 WeakPolarHBondContact O-CB 3.16Å; V346-I349 WeakPolarHBondContact O-CD1 3.36Å; V346-I349 VanDerWaalsContact O-CG1 3.26Å; V346-I349 WeakPolarHBondContact O-CG1 3.23Å; V346-I349 PolarHBondContact O-N 3.01Å; I349-H351 VanDerWaalsContact C-N 3.34Å; I349-H351 PolarHBondContact O-CD2 3.46Å; I349-H351 VanDerWaalsContact O-CD2 3.25Å; I349-H351 PolarHBondContact O-N 2.73Å; I349-L354 HydrophobicContact CG2-CD1 3.98Å; I349-L354 HydrophobicContact CG2-CD2 4.42Å; I349-L354 HydrophobicContact CG2-CG 4.21Å; I349-V453 HydrophobicContact CD1-CG1 3.56Å
350	D	70.2	Confident	75.8	Confident	74 Å²	74	70.2 Å²	70.2	40%	0.396	35%	0.35	S	S	.	.			trans	-74.1	93.3	163.7	-175.7	-2	0	0	0	109.1	K348 Q352 R353	K348-D350 PolarHBondContact O-N 3.26Å; D350-Q352 PolarHBondContact O-N 3.46Å; D350-Q352 VanDerWaalsContact OD1-CB 3.25Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.3Å; D350-Q352 WeakPolarHBondContact OD1-CG 3.22Å; D350-Q352 PolarHBondContact OD1-N 3.17Å; D350-R353 HydrophobicContact CB-CG 4.13Å; D350-R353 WeakPolarHBondContact O-CB 3.26Å; D350-R353 PolarHBondContact O-N 3.45Å; D350-R353 WeakPolarHBondContact OD2-CG 3.38Å
351	H	70.3	Confident	76.7	Confident	25 Å²	25	69.5 Å²	69.5	12%	0.116	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-61	-13.6	-179.9	-70.8	-85.3	0	0	0	113.6	V162 I349 R353 K449	V162-H351 WeakPolarHBondContact CG1-NE2 3.28Å; I349-H351 VanDerWaalsContact C-N 3.34Å; I349-H351 PolarHBondContact O-CD2 3.46Å; I349-H351 VanDerWaalsContact O-CD2 3.25Å; I349-H351 PolarHBondContact O-N 2.73Å; H351-R353 VanDerWaalsContact C-N 3.29Å; H351-K449 HydrophobicContact CB-CD 4.48Å; H351-K449 PolarHBondContact O-NZ 3.45Å
352	Q	73.5	Confident	77.9	Confident	165 Å²	165	69.3 Å²	69.3	77%	0.771	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-73.6	-23.1	173.4	-56	-176.9	2.4	0	0	112	D350 L354	D350-Q352 PolarHBondContact O-N 3.46Å; D350-Q352 VanDerWaalsContact OD1-CB 3.25Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.3Å; D350-Q352 WeakPolarHBondContact OD1-CG 3.22Å; D350-Q352 PolarHBondContact OD1-N 3.17Å; Q352-L354 VanDerWaalsContact C-N 3.34Å
353	R	82.8	Confident	80	Confident	142 Å²	142	65.4 Å²	65.4	54%	0.536	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-84.4	-7	178.6	-64.9	-178.1	63.3	-167.8	-4.5	114.1	V340 D350 H351 I355	V340-R353 HydrophobicContact CG2-CB 4.17Å; D350-R353 HydrophobicContact CB-CG 4.13Å; D350-R353 WeakPolarHBondContact O-CB 3.26Å; D350-R353 PolarHBondContact O-N 3.45Å; D350-R353 WeakPolarHBondContact OD2-CG 3.38Å; H351-R353 VanDerWaalsContact C-N 3.29Å; R353-I355 VanDerWaalsContact C-N 3.3Å; R353-I355 PolarHBondContact O-N 2.97Å; R353-I355 VanDerWaalsContact O-N 3.1Å
354	L	89.9	Confident	82.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.274	C	S	.	.			trans	-84.1	71.8	177.4	-59.8	175	0	0	0	110.3	E336 M337 V340 I349 Q352 L357 E358 K449 V453	E336-L354 HydrophobicContact CG-CD2 4.19Å; E336-L354 VanDerWaalsContact OE2-C 3.28Å; E336-L354 VanDerWaalsContact OE2-CA 3.3Å; E336-L354 WeakPolarHBondContact OE2-CA 3.34Å; M337-L354 HydrophobicContact CG-CD2 4.5Å; V340-L354 HydrophobicContact CB-CD2 4.47Å; V340-L354 HydrophobicContact CG2-CD2 4.36Å; I349-L354 HydrophobicContact CG2-CD1 3.98Å; I349-L354 HydrophobicContact CG2-CD2 4.42Å; I349-L354 HydrophobicContact CG2-CG 4.21Å; Q352-L354 VanDerWaalsContact C-N 3.34Å; L354-L357 HydrophobicContact CB-CB 4.1Å; L354-L357 HydrophobicContact CB-CD2 4.39Å; L354-L357 HydrophobicContact CD1-CD2 3.98Å; L354-E358 VanDerWaalsContact O-CB 3.32Å; L354-E358 WeakPolarHBondContact O-CB 3.27Å; L354-E358 PolarHBondContact O-N 2.9Å; L354-E358 VanDerWaalsContact O-N 3.08Å; L354-K449 PolarHBondContact O-NZ 3.44Å; L354-V453 HydrophobicContact CD1-CG2 3.67Å
355	I	92.4	Very high	84.2	Confident	112 Å²	112	50.6 Å²	50.6	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-78.8	-43.1	-172.5	-60.1	171.7	0	0	0	110.9	E336 R353 E358 S359	E336-I355 VanDerWaalsContact CD-N 3.34Å; E336-I355 WeakPolarHBondContact OE1-CA 3.14Å; E336-I355 PolarHBondContact OE1-N 3.22Å; E336-I355 PolarHBondContact OE2-N 3.14Å; R353-I355 VanDerWaalsContact C-N 3.3Å; R353-I355 PolarHBondContact O-N 2.97Å; R353-I355 VanDerWaalsContact O-N 3.1Å; I355-E358 PolarHBondContact O-N 2.86Å; I355-S359 WeakPolarHBondContact O-CB 3.2Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 3.29Å
356	V	95.9	Very high	85.8	Confident	27 Å²	27	47.8 Å²	47.8	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-46.1	176.3	-178.6	0	0	0	0	109.4	R332 I333 E336 E358 S359 F360 L416	R332-V356 HydrophobicContact CB-CG1 4.03Å; I333-V356 HydrophobicContact CG1-CG1 3.83Å; E336-V356 HydrophobicContact CB-CB 4.43Å; E336-V356 HydrophobicContact CB-CG2 4.44Å; E336-V356 VanDerWaalsContact CD-N 3.3Å; E336-V356 WeakPolarHBondContact OE1-CG2 3.36Å; E336-V356 PolarHBondContact OE1-N 3.35Å; E336-V356 WeakPolarHBondContact OE2-CB 3.38Å; E336-V356 PolarHBondContact OE2-N 3.4Å; E336-V356 VanDerWaalsContact OE2-N 3.12Å; V356-E358 VanDerWaalsContact C-N 3.34Å; V356-E358 PolarHBondContact O-N 3.37Å; V356-S359 PolarHBondContact O-N 2.83Å; V356-F360 WeakPolarHBondContact O-CB 3.48Å; V356-F360 PolarHBondContact O-N 3.18Å; V356-L416 HydrophobicContact CG1-CD1 4.15Å
357	L	96.7	Very high	87.5	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-40.7	175.7	-178.1	62.5	0	0	0	112.2	I333 E336 L354 F360 I361 K449 L452 V453	I333-L357 HydrophobicContact CD1-CD1 4.32Å; I333-L357 HydrophobicContact CG2-CD1 4.04Å; E336-L357 PolarHBondContact OE2-N 2.98Å; L354-L357 HydrophobicContact CB-CB 4.1Å; L354-L357 HydrophobicContact CB-CD2 4.39Å; L354-L357 HydrophobicContact CD1-CD2 3.98Å; L357-F360 HydrophobicContact CD1-CD1 4.12Å; L357-F360 PolarHBondContact O-N 3.45Å; L357-I361 HydrophobicContact CD1-CD1 4.38Å; L357-I361 HydrophobicContact CD1-CG1 4.49Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 VanDerWaalsContact O-CG1 3.31Å; L357-I361 WeakPolarHBondContact O-CG1 3.26Å; L357-I361 PolarHBondContact O-N 3.06Å; L357-K449 HydrophobicContact CD2-CB 4.14Å; L357-K449 HydrophobicContact CD2-CG 4Å; L357-K449 HydrophobicContact CG-CG 4.36Å; L357-L452 HydrophobicContact CD1-CB 4.18Å; L357-L452 HydrophobicContact CD1-CD1 3.9Å; L357-V453 HydrophobicContact CD2-CG2 3.59Å
358	E	96.3	Very high	89.2	Confident	80 Å²	80	43.8 Å²	43.8	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-44	175.5	-170.5	165.6	127.1	0	0	112.1	L354 I355 V356 F360 I361 N362 M445 K449	L354-E358 VanDerWaalsContact O-CB 3.32Å; L354-E358 WeakPolarHBondContact O-CB 3.27Å; L354-E358 PolarHBondContact O-N 2.9Å; L354-E358 VanDerWaalsContact O-N 3.08Å; I355-E358 PolarHBondContact O-N 2.86Å; V356-E358 VanDerWaalsContact C-N 3.34Å; V356-E358 PolarHBondContact O-N 3.37Å; E358-F360 VanDerWaalsContact C-N 3.3Å; E358-F360 PolarHBondContact O-N 3.19Å; E358-I361 PolarHBondContact O-N 2.94Å; E358-N362 WeakPolarHBondContact O-CB 3.09Å; E358-N362 PolarHBondContact O-N 3.13Å; E358-N362 PolarHBondContact O-ND2 2.99Å; E358-M445 HydrophobicContact CG-CE 3.93Å; E358-K449 WeakPolarHBondContact OE2-CE 3.29Å; E358-K449 IonicContact OE2-NZ 2.68Å; E358-K449 PolarHBondContact OE2-NZ 3Å
359	S	97.2	Very high	91	Very high	25 Å²	25	36.9 Å²	36.9	18%	0.175	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-40.3	176.5	-58.6	0	0	0	0	111.2	I355 V356 N362 E363	I355-S359 WeakPolarHBondContact O-CB 3.2Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 3.29Å; V356-S359 PolarHBondContact O-N 2.83Å; S359-N362 PolarHBondContact O-N 2.74Å; S359-E363 VanDerWaalsContact O-CB 3.27Å; S359-E363 WeakPolarHBondContact O-CB 3.44Å; S359-E363 PolarHBondContact O-N 3.31Å
360	F	98.5	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-45.8	174.3	166.3	-98.7	0	0	0	112.8	M319 L322 L323 V329 I333 V356 L357 E358 E363 S364 F414 L416 L452	M319-F360 HydrophobicContact CB-CE1 3.81Å; M319-F360 HydrophobicContact CB-CZ 3.74Å; M319-F360 HydrophobicContact CG-CE1 3.93Å; M319-F360 HydrophobicContact CG-CZ 4.05Å; M319-F360 WeakPolarHBondContact O-CZ 3.37Å; M319-F360 HydrophobicContact SD-CE1 4.49Å; L322-F360 HydrophobicContact CB-CE2 4.28Å; L323-F360 HydrophobicContact CD1-CE1 4.35Å; L323-F360 HydrophobicContact CD1-CZ 4.13Å; L323-F360 HydrophobicContact CD2-CD2 4.03Å; L323-F360 HydrophobicContact CD2-CE1 4.1Å; L323-F360 HydrophobicContact CD2-CE2 3.53Å; L323-F360 HydrophobicContact CD2-CZ 3.59Å; L323-F360 HydrophobicContact CG-CE1 4.15Å; L323-F360 HydrophobicContact CG-CE2 3.84Å; L323-F360 HydrophobicContact CG-CZ 3.49Å; L323-F360 VanDerWaalsContact CG-CZ 3.49Å; V329-F360 HydrophobicContact CG1-CB 4.4Å; V329-F360 HydrophobicContact CG1-CD2 3.68Å; V329-F360 HydrophobicContact CG1-CE2 4.44Å; V329-F360 HydrophobicContact CG1-CG 4.34Å; I333-F360 HydrophobicContact CD1-CB 3.77Å; I333-F360 HydrophobicContact CD1-CD1 3.9Å; I333-F360 HydrophobicContact CD1-CD2 4.09Å; I333-F360 HydrophobicContact CD1-CG 3.62Å; V356-F360 WeakPolarHBondContact O-CB 3.48Å; V356-F360 PolarHBondContact O-N 3.18Å; L357-F360 HydrophobicContact CD1-CD1 4.12Å; L357-F360 PolarHBondContact O-N 3.45Å; E358-F360 VanDerWaalsContact C-N 3.3Å; E358-F360 PolarHBondContact O-N 3.19Å; F360-E363 PolarHBondContact O-N 3.16Å; F360-S364 WeakPolarHBondContact CE2-OG 3.4Å; F360-S364 WeakPolarHBondContact CZ-OG 3.31Å; F360-S364 WeakPolarHBondContact O-CB 3.46Å; F360-S364 PolarHBondContact O-N 2.64Å; F360-S364 PolarHBondContact O-OG 3.32Å; F360-F414 HydrophobicContact CD2-CE1 4.44Å; F360-F414 AromaticContact CD2-CZ 3.72Å; F360-F414 HydrophobicContact CD2-CZ 3.72Å; F360-F414 HydrophobicContact CE2-CE1 4.47Å; F360-F414 AromaticContact CE2-CZ 3.72Å; F360-F414 HydrophobicContact CE2-CZ 3.72Å; F360-L416 HydrophobicContact CB-CD2 4.14Å; F360-L452 HydrophobicContact CD1-CD1 4.47Å; F360-L452 HydrophobicContact CE1-CD1 4.13Å
361	I	98.5	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-48.2	177	-70.6	165.7	0	0	0	109.8	M319 L357 E358 E363 S364 L365 M445 M448 K449 L452	M319-I361 HydrophobicContact CE-CB 4.39Å; M319-I361 HydrophobicContact CE-CG1 4.49Å; M319-I361 HydrophobicContact CE-CG2 3.9Å; M319-I361 HydrophobicContact SD-CG1 4.32Å; L357-I361 HydrophobicContact CD1-CD1 4.38Å; L357-I361 HydrophobicContact CD1-CG1 4.49Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 VanDerWaalsContact O-CG1 3.31Å; L357-I361 WeakPolarHBondContact O-CG1 3.26Å; L357-I361 PolarHBondContact O-N 3.06Å; E358-I361 PolarHBondContact O-N 2.94Å; I361-E363 PolarHBondContact O-N 3.39Å; I361-S364 PolarHBondContact O-N 2.87Å; I361-L365 HydrophobicContact CG2-CD1 4.08Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 2.96Å; I361-M445 HydrophobicContact CB-CE 4.22Å; I361-M445 HydrophobicContact CG2-CE 3.69Å; I361-M445 HydrophobicContact CG2-SD 3.68Å; I361-M448 HydrophobicContact CD1-CB 4.01Å; I361-M448 HydrophobicContact CG2-CE 3.69Å; I361-M448 HydrophobicContact CG2-SD 4.04Å; I361-K449 HydrophobicContact CD1-CB 4.47Å; I361-K449 HydrophobicContact CD1-CG 3.56Å; I361-L452 HydrophobicContact CD1-CD1 4.13Å; I361-L452 HydrophobicContact CG1-CD1 3.91Å
362	N	98.2	Very high	95	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-43.5	179.7	-73.7	-32.7	0	0	0	112	E358 S359 S364 L365 R366 F419 F428	E358-N362 WeakPolarHBondContact O-CB 3.09Å; E358-N362 PolarHBondContact O-N 3.13Å; E358-N362 PolarHBondContact O-ND2 2.99Å; S359-N362 PolarHBondContact O-N 2.74Å; N362-S364 VanDerWaalsContact C-N 3.34Å; N362-S364 PolarHBondContact O-N 3.4Å; N362-L365 PolarHBondContact O-N 2.92Å; N362-R366 WeakPolarHBondContact O-CB 3.43Å; N362-R366 PolarHBondContact O-N 3.4Å; N362-F419 HydrophobicContact CB-CD1 3.85Å; N362-F419 HydrophobicContact CB-CD2 4.4Å; N362-F419 HydrophobicContact CB-CE1 3.55Å; N362-F419 HydrophobicContact CB-CE2 4.13Å; N362-F419 HydrophobicContact CB-CG 4.27Å; N362-F419 HydrophobicContact CB-CZ 3.7Å; N362-F428 HydrophobicContact CB-CE1 3.96Å; N362-F428 HydrophobicContact CB-CZ 4.16Å; N362-F428 WeakPolarHBondContact O-CZ 3.22Å
363	E	98.4	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-37	176.7	-179.5	60.3	-174.8	0	0	112.1	S359 F360 I361 R366 F367 F414 S415 L416 N418 F419	S359-E363 VanDerWaalsContact O-CB 3.27Å; S359-E363 WeakPolarHBondContact O-CB 3.44Å; S359-E363 PolarHBondContact O-N 3.31Å; F360-E363 PolarHBondContact O-N 3.16Å; I361-E363 PolarHBondContact O-N 3.39Å; E363-R366 PolarHBondContact O-N 2.84Å; E363-R366 IonicContact OE1-CZ 2.78Å; E363-R366 IonicContact OE1-NE 3.81Å; E363-R366 PolarHBondContact OE1-NE 3.36Å; E363-R366 IonicContact OE1-NH2 3.66Å; E363-R366 PolarHBondContact OE1-NH2 3.29Å; E363-R366 IonicContact OE2-CZ 2.66Å; E363-R366 IonicContact OE2-NE 3.15Å; E363-R366 PolarHBondContact OE2-NE 3.13Å; E363-R366 IonicContact OE2-NH2 3.79Å; E363-F367 WeakPolarHBondContact O-CB 3.28Å; E363-F367 PolarHBondContact O-N 2.95Å; E363-F414 HydrophobicContact CB-CE2 4.18Å; E363-F414 HydrophobicContact CG-CD2 3.73Å; E363-F414 HydrophobicContact CG-CE2 3.59Å; E363-F414 HydrophobicContact CG-CG 4.32Å; E363-F414 HydrophobicContact CG-CZ 4.08Å; E363-S415 PolarHBondContact OE1-N 2.88Å; E363-L416 HydrophobicContact CB-CD2 4.02Å; E363-L416 HydrophobicContact CG-CD2 4.31Å; E363-N418 PolarHBondContact OE1-ND2 3.43Å; E363-N418 VanDerWaalsContact OE2-CB 3.3Å; E363-N418 WeakPolarHBondContact OE2-CB 3.46Å; E363-N418 PolarHBondContact OE2-ND2 2.96Å; E363-F419 HydrophobicContact CB-CD2 3.9Å; E363-F419 HydrophobicContact CB-CE2 4.02Å; E363-F419 WeakPolarHBondContact OE2-CD2 3.31Å; E363-F419 WeakPolarHBondContact OE2-CE2 3.38Å
364	S	98.5	Very high	96.9	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-46.8	175	-58.6	0	0	0	0	111.5	F360 I361 N362 R366 F367 H368	F360-S364 WeakPolarHBondContact CE2-OG 3.4Å; F360-S364 WeakPolarHBondContact CZ-OG 3.31Å; F360-S364 WeakPolarHBondContact O-CB 3.46Å; F360-S364 PolarHBondContact O-N 2.64Å; F360-S364 PolarHBondContact O-OG 3.32Å; I361-S364 PolarHBondContact O-N 2.87Å; N362-S364 VanDerWaalsContact C-N 3.34Å; N362-S364 PolarHBondContact O-N 3.4Å; S364-R366 VanDerWaalsContact C-N 3.26Å; S364-R366 PolarHBondContact O-N 3.08Å; S364-F367 PolarHBondContact O-N 3.36Å; S364-H368 CarbonylContact O-C 3.59Å; S364-H368 PolarHBondContact O-N 3.25Å
365	L	98.2	Very high	97.3	Very high	16 Å²	16	21.7 Å²	21.7	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-27.6	176.2	-66.5	175.5	0	0	0	112.9	M319 I361 N362 P369 P430 F431 M448	M319-L365 HydrophobicContact CE-CD2 4.04Å; M319-L365 HydrophobicContact CE-CG 4.05Å; I361-L365 HydrophobicContact CG2-CD1 4.08Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 2.96Å; N362-L365 PolarHBondContact O-N 2.92Å; L365-P369 WeakPolarHBondContact O-CB 3.21Å; L365-P430 HydrophobicContact CB-CB 4.13Å; L365-P430 HydrophobicContact CD1-CB 4.18Å; L365-F431 HydrophobicContact CD1-CE2 4.07Å; L365-F431 HydrophobicContact CD1-CZ 3.81Å; L365-M448 HydrophobicContact CD1-CE 4.2Å
366	R	98	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-76.4	-49.7	175.3	-172	-154.5	65.7	81.3	-2.6	111.8	N362 E363 S364 H403 F408 P411 E413 N418 F419 F428	N362-R366 WeakPolarHBondContact O-CB 3.43Å; N362-R366 PolarHBondContact O-N 3.4Å; E363-R366 PolarHBondContact O-N 2.84Å; E363-R366 IonicContact OE1-CZ 2.78Å; E363-R366 IonicContact OE1-NE 3.81Å; E363-R366 PolarHBondContact OE1-NE 3.36Å; E363-R366 IonicContact OE1-NH2 3.66Å; E363-R366 PolarHBondContact OE1-NH2 3.29Å; E363-R366 IonicContact OE2-CZ 2.66Å; E363-R366 IonicContact OE2-NE 3.15Å; E363-R366 PolarHBondContact OE2-NE 3.13Å; E363-R366 IonicContact OE2-NH2 3.79Å; S364-R366 VanDerWaalsContact C-N 3.26Å; S364-R366 PolarHBondContact O-N 3.08Å; R366-H403 HydrophobicContact CG-CB 3.7Å; R366-H403 PolarHBondContact NH1-O 3.46Å; R366-F408 VanDerWaalsContact CD-CD2 3.47Å; R366-F408 VanDerWaalsContact CD-CE1 3.49Å; R366-F408 HydrophobicContact CG-CD2 4.17Å; R366-F408 HydrophobicContact CG-CE1 4.4Å; R366-F408 HydrophobicContact CG-CE2 3.73Å; R366-F408 HydrophobicContact CG-CZ 3.83Å; R366-P411 PolarHBondContact NH1-O 2.9Å; R366-E413 PolarHBondContact NH2-O 2.94Å; R366-N418 PolarHBondContact NH2-ND2 2.95Å; R366-F419 HydrophobicContact CB-CE2 4.18Å; R366-F419 HydrophobicContact CB-CZ 4.28Å; R366-F428 HydrophobicContact CB-CD2 4.36Å; R366-F428 HydrophobicContact CB-CE2 3.66Å; R366-F428 HydrophobicContact CB-CZ 4.37Å; R366-F428 HydrophobicContact CG-CD2 4.33Å; R366-F428 HydrophobicContact CG-CE2 4.12Å
367	F	97.6	Very high	97.7	Very high	38 Å²	38	17.4 Å²	17.4	17%	0.167	9%	0.091	C	C	.	.	H	α-helix	trans	-75	-43.4	-170.7	-178	-104.9	0	0	0	111.8	L322 E363 S364 K404 E413 F414	L322-F367 HydrophobicContact CD2-CD1 4.09Å; L322-F367 HydrophobicContact CD2-CE1 4.28Å; E363-F367 WeakPolarHBondContact O-CB 3.28Å; E363-F367 PolarHBondContact O-N 2.95Å; S364-F367 PolarHBondContact O-N 3.36Å; F367-K404 WeakPolarHBondContact O-CE 3.29Å; F367-K404 PolarHBondContact O-NZ 3.31Å; F367-K404 VanDerWaalsContact O-NZ 3.12Å; F367-E413 VanDerWaalsContact CE2-C 3.46Å; F367-F414 HydrophobicContact CB-CD2 3.9Å; F367-F414 HydrophobicContact CD1-CB 3.92Å; F367-F414 AromaticContact CD1-CD2 3.89Å; F367-F414 HydrophobicContact CD1-CD2 3.89Å; F367-F414 HydrophobicContact CD1-CG 4.37Å; F367-F414 HydrophobicContact CD2-CB 4.12Å; F367-F414 HydrophobicContact CE1-CB 3.99Å; F367-F414 HydrophobicContact CE2-CB 4.19Å; F367-F414 HydrophobicContact CG-CB 3.99Å; F367-F414 AromaticContact CG-CD2 3.95Å; F367-F414 HydrophobicContact CG-CD2 3.95Å; F367-F414 HydrophobicContact CG-CG 4.49Å; F367-F414 HydrophobicContact CZ-CB 4.13Å
368	H	96.6	Very high	97.8	Very high	20 Å²	20	17.5 Å²	17.5	9%	0.093	9%	0.091	C	C	.	.	S	Bend	trans	-135.4	67.9	-175.7	-150.4	88	0	0	0	111.6	F318 S364 L469 Q474 Q480	F318-H368 AromaticContact CD1-CD2 3.98Å; F318-H368 AromaticContact CD2-CD2 3.52Å; F318-H368 AromaticContact CE1-NE2 3.91Å; F318-H368 AromaticContact CE2-CD2 3.67Å; F318-H368 AromaticContact CE2-NE2 3.98Å; F318-H368 AromaticContact CG-CD2 3.66Å; F318-H368 AromaticContact CZ-CD2 3.98Å; F318-H368 AromaticContact CZ-NE2 3.82Å; S364-H368 CarbonylContact O-C 3.59Å; S364-H368 PolarHBondContact O-N 3.25Å; H368-L469 HydrophobicContact CB-CD1 4.17Å; H368-Q474 PolarHBondContact CE1-NE2 3.32Å; H368-Q474 PolarHBondContact CE1-OE1 3.36Å; H368-Q474 PolarHBondContact NE2-NE2 3.45Å; H368-Q474 PolarHBondContact NE2-OE1 3.49Å; H368-Q480 PolarHBondContact CE1-NE2 3.43Å; H368-Q480 PolarHBondContact NE2-NE2 2.77Å
369	P	96.8	Very high	97.9	Very high	7 Å²	7	16 Å²	16	5%	0.045	9%	0.086	C	C	.	.			trans	-66.9	137.9	-177.3	25.6	-33.4	0	0	0	112.2	L365 D372 Q480	L365-P369 WeakPolarHBondContact O-CB 3.21Å; P369-D372 HydrophobicContact CB-CB 4.14Å; P369-D372 HydrophobicContact CG-CB 3.67Å; P369-Q480 VanDerWaalsContact O-CB 3.31Å; P369-Q480 WeakPolarHBondContact O-CB 3.31Å; P369-Q480 PolarHBondContact O-OE1 2.78Å
370	V	97.7	Very high	97.9	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.097	C	C	.	.	S	Bend	trans	-73.9	-43.9	165.2	175.7	0	0	0	0	110.7	I314 S315 F318 S479 Q480	I314-V370 HydrophobicContact CB-CG1 4.29Å; I314-V370 HydrophobicContact CB-CG2 3.94Å; I314-V370 HydrophobicContact CG2-CG1 4.31Å; I314-V370 HydrophobicContact CG2-CG2 3.67Å; S315-V370 VanDerWaalsContact OG-CG2 3.28Å; S315-V370 WeakPolarHBondContact OG-CG2 3.47Å; F318-V370 HydrophobicContact CD2-CG2 3.76Å; F318-V370 HydrophobicContact CE2-CG2 3.85Å; V370-S479 CarbonylContact O-C 3.53Å; V370-S479 WeakPolarHBondContact O-CA 3.31Å; V370-S479 WeakPolarHBondContact O-CB 3.49Å; V370-Q480 PolarHBondContact O-N 2.84Å
371	V	97.3	Very high	97.9	Very high	61 Å²	61	24.2 Å²	24.2	37%	0.37	13%	0.125	S	C	.	.	S	Bend	trans	-103.4	94.4	174.8	-177.1	0	0	0	0	107.9	T311 F373 I399	T311-V371 HydrophobicContact CG2-CG2 4.17Å; V371-F373 WeakPolarHBondContact CG1-O 3.45Å; V371-I399 WeakPolarHBondContact O-CD1 3.19Å
372	D	96	Very high	97.8	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	14%	0.136	C	C	.	.			trans	-96.7	-8.5	-174.1	75.1	-31.2	0	0	0	113.3	P369 I399 G400 N476	P369-D372 HydrophobicContact CB-CB 4.14Å; P369-D372 HydrophobicContact CG-CB 3.67Å; D372-I399 VanDerWaalsContact C-CG1 3.42Å; D372-I399 WeakPolarHBondContact O-CG1 3.32Å; D372-I399 PolarHBondContact O-N 3.07Å; D372-G400 PolarHBondContact O-N 2.91Å; D372-N476 PolarHBondContact OD1-OD1 2.84Å; D372-N476 PolarHBondContact OD2-ND2 2.88Å; D372-N476 PolarHBondContact OD2-OD1 2.76Å
373	F	98	Very high	97.6	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.035	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	165.5	168.3	69	-90.2	0	0	0	113.1	I71 V371 M375 I396 L397 D477 L478	I71-F373 HydrophobicContact CB-CE1 4.06Å; I71-F373 HydrophobicContact CB-CE2 4.34Å; I71-F373 HydrophobicContact CB-CZ 3.66Å; I71-F373 HydrophobicContact CD1-CZ 4.39Å; I71-F373 HydrophobicContact CG2-CD1 4.46Å; I71-F373 HydrophobicContact CG2-CD2 4.23Å; I71-F373 HydrophobicContact CG2-CE1 3.87Å; I71-F373 HydrophobicContact CG2-CE2 3.56Å; I71-F373 HydrophobicContact CG2-CZ 3.36Å; V371-F373 WeakPolarHBondContact CG1-O 3.45Å; F373-M375 HydrophobicContact CD2-CG 4.12Å; F373-M375 HydrophobicContact CE2-CG 3.85Å; F373-M375 HydrophobicContact CE2-SD 4.14Å; F373-I396 HydrophobicContact CB-CG2 3.84Å; F373-I396 HydrophobicContact CD2-CG2 3.86Å; F373-I396 HydrophobicContact CG-CG2 3.99Å; F373-L397 CarbonylContact C-O 3.5Å; F373-L397 WeakPolarHBondContact CA-O 3.39Å; F373-L397 VanDerWaalsContact CB-O 3.27Å; F373-L397 WeakPolarHBondContact CB-O 3.35Å; F373-D477 WeakPolarHBondContact CE1-O 3.49Å; F373-D477 WeakPolarHBondContact CZ-O 3.19Å; F373-L478 HydrophobicContact CZ-CD1 4.32Å; F373-L478 WeakPolarHBondContact CZ-O 3.32Å
374	T	97.6	Very high	97.4	Very high	20 Å²	20	27.7 Å²	27.7	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.4	168.4	170.9	0	0	0	0	111.4	L108 R116 L397	L108-T374 HydrophobicContact CD2-CG2 4.2Å; R116-T374 PolarHBondContact NH1-OG1 2.87Å; T374-L397 HydrophobicContact CG2-CB 3.7Å; T374-L397 HydrophobicContact CG2-CD1 3.81Å; T374-L397 HydrophobicContact CG2-CG 4.13Å; T374-L397 PolarHBondContact N-O 3.23Å; T374-L397 PolarHBondContact O-N 3.14Å
375	M	98.4	Very high	97	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.7	178.5	-62.2	166.7	78.6	0	0	111.3	R116 F117 F135 L229 F373 I395 I396	R116-M375 WeakPolarHBondContact CG-O 3.42Å; R116-M375 PolarHBondContact NH1-O 3.43Å; F117-M375 HydrophobicContact CD1-CB 4.07Å; F117-M375 HydrophobicContact CD1-CE 4.01Å; F117-M375 HydrophobicContact CD2-CE 3.81Å; F117-M375 HydrophobicContact CE1-CB 3.71Å; F117-M375 HydrophobicContact CE1-CE 3.64Å; F117-M375 HydrophobicContact CE1-CG 4Å; F117-M375 HydrophobicContact CE2-CE 3.42Å; F117-M375 VanDerWaalsContact CE2-CE 3.42Å; F117-M375 HydrophobicContact CG-CE 4.1Å; F117-M375 HydrophobicContact CZ-CB 4.46Å; F117-M375 HydrophobicContact CZ-CE 3.32Å; F117-M375 HydrophobicContact CZ-CG 4.28Å; F117-M375 VanDerWaalsContact O-CE 3.22Å; F117-M375 WeakPolarHBondContact O-CE 3.28Å; F135-M375 HydrophobicContact CE1-CE 4.31Å; F135-M375 HydrophobicContact CE1-SD 3.95Å; F135-M375 HydrophobicContact CZ-SD 3.79Å; L229-M375 HydrophobicContact CD2-CE 4.27Å; L229-M375 HydrophobicContact CD2-SD 3.9Å; F373-M375 HydrophobicContact CD2-CG 4.12Å; F373-M375 HydrophobicContact CE2-CG 3.85Å; F373-M375 HydrophobicContact CE2-SD 4.14Å; M375-I395 CarbonylContact C-O 3.56Å; M375-I395 WeakPolarHBondContact CA-O 3.22Å; M375-I396 HydrophobicContact CG-CG1 4.35Å
376	R	98.5	Very high	96.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	163.1	174.1	-61	-59	-170.7	94.2	2.1	110.8	V107 Y113 S115 F117 I395 L397 R436	V107-R376 HydrophobicContact CG1-CB 4.17Å; V107-R376 HydrophobicContact CG1-CG 4.04Å; Y113-R376 VanDerWaalsContact O-CD 3.28Å; Y113-R376 WeakPolarHBondContact O-CD 3.48Å; Y113-R376 PolarHBondContact O-NH1 2.81Å; S115-R376 CarbonylContact O-C 3.55Å; S115-R376 WeakPolarHBondContact O-CA 3.49Å; F117-R376 VanDerWaalsContact CD1-O 3.27Å; F117-R376 WeakPolarHBondContact CD1-O 3.47Å; R376-I395 HydrophobicContact CB-CB 4.3Å; R376-I395 PolarHBondContact N-O 3.18Å; R376-I395 PolarHBondContact O-N 2.81Å; R376-L397 HydrophobicContact CG-CD1 4.24Å; R376-R436 PolarHBondContact NH2-O 3.19Å; R376-R436 VanDerWaalsContact NH2-O 3.13Å
377	K	98.4	Very high	96.2	Very high	46 Å²	46	35 Å²	35	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	170.9	-166	179.6	-171.7	89.7	0	109.5	E93 S115 F117 L379 G392 N394	E93-K377 IonicContact OE1-NZ 3.36Å; E93-K377 IonicContact OE2-NZ 3.6Å; E93-K377 PolarHBondContact OE2-NZ 3.34Å; E93-K377 VanDerWaalsContact OE2-NZ 3.16Å; S115-K377 PolarHBondContact O-N 3.18Å; F117-K377 HydrophobicContact CB-CB 4.43Å; F117-K377 HydrophobicContact CB-CD 4.29Å; K377-L379 PolarHBondContact O-N 3.28Å; K377-G392 VanDerWaalsContact CE-O 3.27Å; K377-G392 WeakPolarHBondContact CE-O 3.4Å; K377-G392 PolarHBondContact NZ-O 2.91Å; K377-N394 PolarHBondContact NZ-OD1 2.67Å
378	A	98.5	Very high	96	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	22%	0.216	C	C	.	.			trans	-70	123	176.8	0	0	0	0	0	110.3	Y113 I389 R390 G392 T393	Y113-A378 HydrophobicContact CD1-CB 4.04Å; Y113-A378 HydrophobicContact CE1-CB 3.7Å; A378-I389 HydrophobicContact CB-CG2 3.92Å; A378-R390 WeakPolarHBondContact CB-O 3.45Å; A378-G392 WeakPolarHBondContact O-CA 3.09Å; A378-G392 PolarHBondContact O-N 3.29Å; A378-T393 PolarHBondContact N-O 3.07Å
379	L	98.1	Very high	95.9	Very high	48 Å²	48	39 Å²	39	25%	0.251	21%	0.212	S	C	.	.	S	Bend	trans	-89.8	-21.6	176.9	-65.2	174	0	0	0	112.4	H112 T114 I139 K377 K391	H112-L379 VanDerWaalsContact O-CB 3.22Å; H112-L379 WeakPolarHBondContact O-CB 3.17Å; H112-L379 WeakPolarHBondContact O-CG 3.4Å; H112-L379 PolarHBondContact O-N 2.88Å; T114-L379 WeakPolarHBondContact OG1-CD1 2.99Å; I139-L379 HydrophobicContact CD1-CD1 4.31Å; I139-L379 HydrophobicContact CG1-CD1 4.06Å; I139-L379 HydrophobicContact CG1-CD2 4.44Å; K377-L379 PolarHBondContact O-N 3.28Å; L379-K391 WeakPolarHBondContact O-CD 3.23Å; L379-K391 WeakPolarHBondContact O-CE 3.35Å; L379-K391 VanDerWaalsContact O-CG 3.27Å; L379-K391 WeakPolarHBondContact O-CG 3.19Å; L379-K391 PolarHBondContact O-NZ 2.86Å
380	E	97.9	Very high	95.9	Very high	90 Å²	90	46.1 Å²	46.1	42%	0.421	24%	0.238	S	C	.	.	S	Bend	trans	-140.1	163.3	178.9	-61.4	-55.2	146.7	0	0	109.8	K391	E380-K391 IonicContact OE1-NZ 3.35Å; E380-K391 PolarHBondContact OE1-NZ 2.84Å; E380-K391 IonicContact OE2-NZ 2.88Å; E380-K391 PolarHBondContact OE2-NZ 2.86Å
381	D	97.8	Very high	95.9	Very high	109 Å²	109	51.9 Å²	51.9	58%	0.583	26%	0.263	S	S	*	.			trans	-65.9	143.1	170.1	-73	0.7	0	0	0	110.1	I389 R390 K391	D381-I389 CarbonylContact C-O 3.57Å; D381-I389 VanDerWaalsContact CA-O 3.32Å; D381-I389 WeakPolarHBondContact CA-O 3.13Å; D381-R390 VanDerWaalsContact OD1-CA 3.31Å; D381-R390 WeakPolarHBondContact OD1-CA 2.89Å; D381-K391 WeakPolarHBondContact OD1-CB 3.45Å; D381-K391 PolarHBondContact OD1-N 3.4Å
382	D	97.2	Very high	95.9	Very high	42 Å²	42	50.4 Å²	50.4	23%	0.225	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	170.7	179.7	-155.4	-5.9	0	0	0	111.2	H106 Y113 I389	H106-D382 IonicContact CD2-OD2 2.66Å; H106-D382 IonicContact CE1-OD2 3.66Å; H106-D382 IonicContact NE2-OD1 2.96Å; H106-D382 IonicContact NE2-OD2 3.92Å; H106-D382 PolarHBondContact NE2-OD2 3.27Å; Y113-D382 WeakPolarHBondContact OH-CB 3.28Å; Y113-D382 PolarHBondContact OH-OD2 3.02Å; Y113-D382 VanDerWaalsContact OH-OD2 3.05Å; D382-I389 PolarHBondContact N-O 2.96Å; D382-I389 PolarHBondContact O-N 3.12Å
383	D	95.1	Very high	96	Very high	55 Å²	55	50.7 Å²	50.7	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.1	171.9	-170.5	-59.5	0	0	0	109.9	G386 K388	D383-G386 WeakPolarHBondContact OD1-CA 3.38Å; D383-G386 PolarHBondContact OD1-N 3.33Å; D383-K388 HydrophobicContact CB-CD 4.37Å; D383-K388 WeakPolarHBondContact OD2-CD 3.45Å; D383-K388 VanDerWaalsContact OD2-CE 3.23Å; D383-K388 WeakPolarHBondContact OD2-CE 3.39Å; D383-K388 IonicContact OD2-NZ 2.73Å; D383-K388 PolarHBondContact OD2-NZ 3.34Å
384	I	94.1	Very high	96	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105	174.1	-56.3	-167.8	0	0	0	108.5	A103 V107 G386 T387 I389	A103-I384 HydrophobicContact CB-CG2 3.7Å; V107-I384 HydrophobicContact CG2-CD1 3.42Å; V107-I384 VanDerWaalsContact CG2-CD1 3.42Å; I384-G386 VanDerWaalsContact C-N 3.28Å; I384-G386 PolarHBondContact O-N 2.86Å; I384-T387 PolarHBondContact N-O 2.94Å; I384-T387 WeakPolarHBondContact O-CA 3.49Å; I384-T387 WeakPolarHBondContact O-CB 3.41Å; I384-T387 PolarHBondContact O-N 3.08Å; I384-T387 PolarHBondContact O-OG1 3.05Å; I384-I389 HydrophobicContact CB-CD1 4.06Å; I384-I389 HydrophobicContact CD1-CD1 3.31Å; I384-I389 HydrophobicContact CG1-CD1 3.51Å; I384-I389 HydrophobicContact CG1-CG1 4.32Å
385	E	89.1	Confident	96.1	Very high	87 Å²	87	49.4 Å²	49.4	41%	0.407	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	40.5	175.2	-57	174.1	-169.7	0	0	113	R100 S102 A103 T387	R100-E385 VanDerWaalsContact CD-OE2 3.31Å; R100-E385 WeakPolarHBondContact CD-OE2 3.38Å; R100-E385 IonicContact CZ-OE2 2.92Å; R100-E385 IonicContact NE-OE2 3.87Å; R100-E385 IonicContact NH1-OE2 2.67Å; R100-E385 PolarHBondContact NH1-OE2 2.85Å; S102-E385 WeakPolarHBondContact CB-OE1 3.22Å; S102-E385 PolarHBondContact OG-OE1 3.3Å; A103-E385 PolarHBondContact N-OE1 2.67Å; A103-E385 VanDerWaalsContact N-OE1 3.17Å; E385-T387 PolarHBondContact O-N 2.78Å
386	G	88.5	Confident	96.1	Very high	61 Å²	61	49.3 Å²	49.3	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-3.6	-175.8	0	0	0	0	0	113.9	D383 I384	D383-G386 WeakPolarHBondContact OD1-CA 3.38Å; D383-G386 PolarHBondContact OD1-N 3.33Å; I384-G386 VanDerWaalsContact C-N 3.28Å; I384-G386 PolarHBondContact O-N 2.86Å
387	T	90.9	Very high	96.1	Very high	26 Å²	26	49.2 Å²	49.2	16%	0.16	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.5	174.1	-57.4	0	0	0	0	109.9	I48 I384 E385 I389	I48-T387 HydrophobicContact CD1-CG2 3.59Å; I48-T387 HydrophobicContact CG1-CG2 3.76Å; I384-T387 PolarHBondContact N-O 2.94Å; I384-T387 WeakPolarHBondContact O-CA 3.49Å; I384-T387 WeakPolarHBondContact O-CB 3.41Å; I384-T387 PolarHBondContact O-N 3.08Å; I384-T387 PolarHBondContact O-OG1 3.05Å; E385-T387 PolarHBondContact O-N 2.78Å; T387-I389 PolarHBondContact O-N 3.36Å
388	K	93.1	Very high	96.1	Very high	138 Å²	138	47 Å²	47	60%	0.6	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.9	174.1	-60.8	-58.1	-175.7	-167.5	0	110.6	D383	D383-K388 HydrophobicContact CB-CD 4.37Å; D383-K388 WeakPolarHBondContact OD2-CD 3.45Å; D383-K388 VanDerWaalsContact OD2-CE 3.23Å; D383-K388 WeakPolarHBondContact OD2-CE 3.39Å; D383-K388 IonicContact OD2-NZ 2.73Å; D383-K388 PolarHBondContact OD2-NZ 3.34Å
389	I	95.6	Very high	96	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.5	175.2	-54.5	-170	0	0	0	107.8	L96 Y113 A378 D381 D382 I384 T387 T393 I395	L96-I389 HydrophobicContact CD1-CD1 3.93Å; L96-I389 HydrophobicContact CD1-CG1 3.91Å; Y113-I389 HydrophobicContact CE1-CG2 4.48Å; A378-I389 HydrophobicContact CB-CG2 3.92Å; D381-I389 CarbonylContact C-O 3.57Å; D381-I389 VanDerWaalsContact CA-O 3.32Å; D381-I389 WeakPolarHBondContact CA-O 3.13Å; D382-I389 PolarHBondContact N-O 2.96Å; D382-I389 PolarHBondContact O-N 3.12Å; I384-I389 HydrophobicContact CB-CD1 4.06Å; I384-I389 HydrophobicContact CD1-CD1 3.31Å; I384-I389 HydrophobicContact CG1-CD1 3.51Å; I384-I389 HydrophobicContact CG1-CG1 4.32Å; T387-I389 PolarHBondContact O-N 3.36Å; I389-T393 HydrophobicContact CG2-CG2 4.17Å; I389-I395 HydrophobicContact CD1-CD1 4.3Å; I389-I395 HydrophobicContact CG2-CD1 4.46Å
390	R	96.1	Very high	96	Very high	155 Å²	155	45.2 Å²	45.2	59%	0.585	24%	0.236	S	C	*	.			trans	-88.9	151.8	176.9	-64.9	-179.3	-176.6	167.7	2.2	110.4	A378 D381 G392 T393	A378-R390 WeakPolarHBondContact CB-O 3.45Å; D381-R390 VanDerWaalsContact OD1-CA 3.31Å; D381-R390 WeakPolarHBondContact OD1-CA 2.89Å; R390-G392 PolarHBondContact O-N 3.3Å; R390-T393 VanDerWaalsContact O-CB 3.22Å; R390-T393 WeakPolarHBondContact O-CB 3.34Å; R390-T393 PolarHBondContact O-N 3.18Å; R390-T393 VanDerWaalsContact O-N 3.09Å; R390-T393 PolarHBondContact O-OG1 2.75Å
391	K	97.4	Very high	95.9	Very high	124 Å²	124	42.1 Å²	42.1	54%	0.539	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	134.1	166.4	178	167.1	-171.1	140.4	0	110.1	L379 E380 D381 T393	L379-K391 WeakPolarHBondContact O-CD 3.23Å; L379-K391 WeakPolarHBondContact O-CE 3.35Å; L379-K391 VanDerWaalsContact O-CG 3.27Å; L379-K391 WeakPolarHBondContact O-CG 3.19Å; L379-K391 PolarHBondContact O-NZ 2.86Å; E380-K391 IonicContact OE1-NZ 3.35Å; E380-K391 PolarHBondContact OE1-NZ 2.84Å; E380-K391 IonicContact OE2-NZ 2.88Å; E380-K391 PolarHBondContact OE2-NZ 2.86Å; D381-K391 WeakPolarHBondContact OD1-CB 3.45Å; D381-K391 PolarHBondContact OD1-N 3.4Å; K391-T393 VanDerWaalsContact C-N 3.33Å
392	G	96.9	Very high	95.9	Very high	31 Å²	31	37.1 Å²	37.1	32%	0.32	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-12.2	-178.1	0	0	0	0	0	114.9	K377 A378 R390 N394	K377-G392 VanDerWaalsContact CE-O 3.27Å; K377-G392 WeakPolarHBondContact CE-O 3.4Å; K377-G392 PolarHBondContact NZ-O 2.91Å; A378-G392 WeakPolarHBondContact O-CA 3.09Å; A378-G392 PolarHBondContact O-N 3.29Å; R390-G392 PolarHBondContact O-N 3.3Å; G392-N394 PolarHBondContact O-N 2.78Å
393	T	98.2	Very high	95.9	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	19%	0.185	C	C	.	.			trans	-60.9	129.5	175.2	-63.5	0	0	0	0	110.6	L96 A378 I389 R390 K391	L96-T393 HydrophobicContact CD1-CG2 4.05Å; L96-T393 HydrophobicContact CG-CG2 3.84Å; A378-T393 PolarHBondContact N-O 3.07Å; I389-T393 HydrophobicContact CG2-CG2 4.17Å; R390-T393 VanDerWaalsContact O-CB 3.22Å; R390-T393 WeakPolarHBondContact O-CB 3.34Å; R390-T393 PolarHBondContact O-N 3.18Å; R390-T393 VanDerWaalsContact O-N 3.09Å; R390-T393 PolarHBondContact O-OG1 2.75Å; K391-T393 VanDerWaalsContact C-N 3.33Å
394	N	98.6	Very high	95.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	149	174.9	-65.5	-28.7	0	0	0	109.8	E93 E94 T95 L96 F117 K377 G392	E93-N394 PolarHBondContact OE2-ND2 3.32Å; E94-N394 PolarHBondContact O-N 3.47Å; T95-N394 CarbonylContact C-O 3.5Å; T95-N394 VanDerWaalsContact CA-O 3.27Å; T95-N394 WeakPolarHBondContact CA-O 3.27Å; T95-N394 HydrophobicContact CG2-CB 3.87Å; T95-N394 WeakPolarHBondContact OG1-CB 3.15Å; L96-N394 PolarHBondContact N-O 3.17Å; F117-N394 WeakPolarHBondContact CB-OD1 3.11Å; F117-N394 HydrophobicContact CD1-CB 3.7Å; F117-N394 HydrophobicContact CD2-CB 3.92Å; F117-N394 VanDerWaalsContact CD2-CG 3.48Å; F117-N394 WeakPolarHBondContact CD2-ND2 3.35Å; F117-N394 HydrophobicContact CE1-CB 3.73Å; F117-N394 HydrophobicContact CE2-CB 3.95Å; F117-N394 HydrophobicContact CG-CB 3.8Å; F117-N394 WeakPolarHBondContact CG-OD1 3.3Å; F117-N394 HydrophobicContact CZ-CB 3.85Å; K377-N394 PolarHBondContact NZ-OD1 2.67Å; G392-N394 PolarHBondContact O-N 2.78Å
395	I	98.8	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.1	-177.7	-56.4	178.8	0	0	0	109.6	L96 L98 V107 Y113 M375 R376 I389 L397	L96-I395 CarbonylContact O-C 3.41Å; L96-I395 VanDerWaalsContact O-CA 3.28Å; L96-I395 WeakPolarHBondContact O-CA 3.27Å; L98-I395 HydrophobicContact CD1-CG2 3.75Å; L98-I395 HydrophobicContact CG-CG2 4.06Å; V107-I395 HydrophobicContact CG1-CD1 4.37Å; V107-I395 HydrophobicContact CG1-CG2 4.46Å; V107-I395 HydrophobicContact CG2-CD1 4.23Å; Y113-I395 HydrophobicContact CD1-CD1 3.61Å; Y113-I395 HydrophobicContact CE1-CD1 3.49Å; Y113-I395 VanDerWaalsContact CE1-CD1 3.49Å; M375-I395 CarbonylContact C-O 3.56Å; M375-I395 WeakPolarHBondContact CA-O 3.22Å; R376-I395 HydrophobicContact CB-CB 4.3Å; R376-I395 PolarHBondContact N-O 3.18Å; R376-I395 PolarHBondContact O-N 2.81Å; I389-I395 HydrophobicContact CD1-CD1 4.3Å; I389-I395 HydrophobicContact CG2-CD1 4.46Å; I395-L397 HydrophobicContact CG2-CD2 3.54Å; I395-L397 HydrophobicContact CG2-CG 4.19Å
396	I	98.8	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.3	166.8	-64.9	164.8	0	0	0	107.3	F66 I71 I90 T95 L96 I97 L98 F117 F373 M375	F66-I396 HydrophobicContact CE1-CD1 4Å; F66-I396 HydrophobicContact CZ-CD1 4.3Å; I71-I396 HydrophobicContact CG2-CD1 4.04Å; I90-I396 HydrophobicContact CD1-CD1 3.94Å; T95-I396 HydrophobicContact CG2-CD1 3.94Å; T95-I396 HydrophobicContact CG2-CG1 4.06Å; L96-I396 PolarHBondContact O-N 3.48Å; I97-I396 CarbonylContact C-O 3.48Å; I97-I396 VanDerWaalsContact CA-O 3.32Å; I97-I396 WeakPolarHBondContact CA-O 3.33Å; I97-I396 HydrophobicContact CG2-CB 4.3Å; I97-I396 HydrophobicContact CG2-CG2 4.26Å; L98-I396 PolarHBondContact N-O 3.33Å; F117-I396 HydrophobicContact CE1-CG1 4.29Å; F117-I396 HydrophobicContact CZ-CD1 4.31Å; F117-I396 HydrophobicContact CZ-CG1 3.96Å; F373-I396 HydrophobicContact CB-CG2 3.84Å; F373-I396 HydrophobicContact CD2-CG2 3.86Å; F373-I396 HydrophobicContact CG-CG2 3.99Å; M375-I396 HydrophobicContact CG-CG1 4.35Å
397	L	98.7	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.3	174.2	-54.2	-179.8	0	0	0	108.3	L98 V104 V107 L108 F373 T374 R376 I395 I399	L98-L397 HydrophobicContact CB-CD2 3.95Å; L98-L397 HydrophobicContact CD1-CD2 3.83Å; L98-L397 HydrophobicContact CG-CD2 4.23Å; L98-L397 CarbonylContact O-C 3.5Å; L98-L397 WeakPolarHBondContact O-CA 3.31Å; V104-L397 HydrophobicContact CG1-CB 4.38Å; V104-L397 HydrophobicContact CG1-CD1 4.34Å; V104-L397 HydrophobicContact CG2-CB 4.35Å; V104-L397 HydrophobicContact CG2-CD2 4.23Å; V107-L397 HydrophobicContact CB-CD1 4.09Å; V107-L397 HydrophobicContact CB-CD2 4.01Å; V107-L397 HydrophobicContact CG1-CD1 3.8Å; V107-L397 HydrophobicContact CG1-CD2 4.02Å; V107-L397 HydrophobicContact CG1-CG 4.32Å; V107-L397 HydrophobicContact CG2-CD2 4.2Å; L108-L397 HydrophobicContact CD2-CD1 3.55Å; L108-L397 HydrophobicContact CG-CD1 3.74Å; F373-L397 CarbonylContact C-O 3.5Å; F373-L397 WeakPolarHBondContact CA-O 3.39Å; F373-L397 VanDerWaalsContact CB-O 3.27Å; F373-L397 WeakPolarHBondContact CB-O 3.35Å; T374-L397 HydrophobicContact CG2-CB 3.7Å; T374-L397 HydrophobicContact CG2-CD1 3.81Å; T374-L397 HydrophobicContact CG2-CG 4.13Å; T374-L397 PolarHBondContact N-O 3.23Å; T374-L397 PolarHBondContact O-N 3.14Å; R376-L397 HydrophobicContact CG-CD1 4.24Å; I395-L397 HydrophobicContact CG2-CD2 3.54Å; I395-L397 HydrophobicContact CG2-CG 4.19Å; L397-I399 HydrophobicContact CB-CG2 4.44Å; L397-I399 PolarHBondContact O-N 3.38Å
398	N	98.3	Very high	96.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	80.4	-178.9	-172.7	-11.1	0	0	0	110.1	N76 N79 I97 L98 L401 M402	N76-N398 PolarHBondContact OD1-ND2 3.29Å; N76-N398 PolarHBondContact OD1-OD1 3.04Å; N79-N398 PolarHBondContact OD1-ND2 2.86Å; N79-N398 VanDerWaalsContact OD1-ND2 3.15Å; I97-N398 HydrophobicContact CG2-CB 4.33Å; L98-N398 PolarHBondContact O-N 2.9Å; N398-L401 HydrophobicContact CB-CB 4.48Å; N398-L401 WeakPolarHBondContact OD1-CB 3.41Å; N398-L401 PolarHBondContact OD1-N 2.92Å; N398-M402 PolarHBondContact O-N 3.35Å; N398-M402 VanDerWaalsContact O-N 3.09Å
399	I	97.3	Very high	96.4	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-31.5	-174.5	57.4	173.2	0	0	0	112.5	V104 V371 D372 L397 M402 H403	V104-I399 HydrophobicContact CG1-CG2 4.19Å; V371-I399 WeakPolarHBondContact O-CD1 3.19Å; D372-I399 VanDerWaalsContact C-CG1 3.42Å; D372-I399 WeakPolarHBondContact O-CG1 3.32Å; D372-I399 PolarHBondContact O-N 3.07Å; L397-I399 HydrophobicContact CB-CG2 4.44Å; L397-I399 PolarHBondContact O-N 3.38Å; I399-M402 HydrophobicContact CG2-CE 4.47Å; I399-M402 WeakPolarHBondContact O-CB 3.49Å; I399-M402 PolarHBondContact O-N 3.41Å; I399-H403 PolarHBondContact O-CD2 2.79Å; I399-H403 VanDerWaalsContact O-CD2 3.23Å; I399-H403 PolarHBondContact O-N 2.92Å
400	G	96.8	Very high	96.4	Very high	6 Å²	6	41.2 Å²	41.2	6%	0.062	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-42.2	176.5	0	0	0	0	0	111.8	D372 K404	D372-G400 PolarHBondContact O-N 2.91Å; G400-K404 WeakPolarHBondContact O-CG 3.28Å
401	L	97.2	Very high	96.4	Very high	24 Å²	24	35.5 Å²	35.5	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-37.9	172.9	-174.4	60	0	0	0	112.2	N79 N398 H403 K404 T405	N79-L401 HydrophobicContact CB-CD2 3.38Å; N398-L401 HydrophobicContact CB-CB 4.48Å; N398-L401 WeakPolarHBondContact OD1-CB 3.41Å; N398-L401 PolarHBondContact OD1-N 2.92Å; L401-H403 VanDerWaalsContact C-N 3.27Å; L401-H403 PolarHBondContact O-N 3.5Å; L401-K404 PolarHBondContact O-N 2.83Å; L401-T405 HydrophobicContact CD1-CG2 4Å; L401-T405 HydrophobicContact CG-CG2 4.26Å; L401-T405 WeakPolarHBondContact O-CG2 3.47Å; L401-T405 PolarHBondContact O-N 3.19Å; L401-T405 PolarHBondContact O-OG1 3.24Å
402	M	97.4	Very high	96.1	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-43.1	174.4	-175.2	-169.3	74	0	0	111.5	S99 V104 N398 I399 K404 T405 Q429	S99-M402 WeakPolarHBondContact O-CA 3.41Å; S99-M402 WeakPolarHBondContact O-CB 3.14Å; S99-M402 WeakPolarHBondContact O-CG 3.41Å; V104-M402 HydrophobicContact CB-SD 3.75Å; V104-M402 HydrophobicContact CG1-CE 4.46Å; V104-M402 HydrophobicContact CG1-SD 3.62Å; V104-M402 HydrophobicContact CG2-SD 4Å; N398-M402 PolarHBondContact O-N 3.35Å; N398-M402 VanDerWaalsContact O-N 3.09Å; I399-M402 HydrophobicContact CG2-CE 4.47Å; I399-M402 WeakPolarHBondContact O-CB 3.49Å; I399-M402 PolarHBondContact O-N 3.41Å; M402-K404 PolarHBondContact O-N 2.93Å; M402-K404 VanDerWaalsContact O-N 3.12Å; M402-T405 PolarHBondContact O-N 3.06Å; M402-T405 PolarHBondContact O-OG1 3.04Å; M402-Q429 HydrophobicContact CE-CB 4.07Å; M402-Q429 HydrophobicContact CE-CG 4.33Å
403	H	97.2	Very high	96.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.8	178.5	-67.6	170.6	0	0	0	114.3	R366 I399 L401 F408 F428 Q429	R366-H403 HydrophobicContact CG-CB 3.7Å; R366-H403 PolarHBondContact NH1-O 3.46Å; I399-H403 PolarHBondContact O-CD2 2.79Å; I399-H403 VanDerWaalsContact O-CD2 3.23Å; I399-H403 PolarHBondContact O-N 2.92Å; L401-H403 VanDerWaalsContact C-N 3.27Å; L401-H403 PolarHBondContact O-N 3.5Å; H403-F408 HydrophobicContact CB-CE2 4.4Å; H403-F408 WeakPolarHBondContact O-CD2 3.2Å; H403-F428 AromaticContact CD2-CD2 3.93Å; H403-F428 AromaticContact CE1-CD2 3.73Å; H403-F428 AromaticContact CE1-CE2 3.81Å; H403-F428 AromaticContact ND1-CD2 3.85Å; H403-F428 AromaticContact ND1-CE2 3.81Å; H403-F428 AromaticContact NE2-CD2 3.78Å; H403-Q429 PolarHBondContact NE2-N 3.47Å; H403-Q429 VanDerWaalsContact NE2-N 3.14Å
404	K	95.3	Very high	96	Very high	82 Å²	82	38.8 Å²	38.8	36%	0.357	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	1.5	-178.6	-65.8	-178.9	-179.9	-175.6	0	113.9	F367 G400 L401 M402 P411	F367-K404 WeakPolarHBondContact O-CE 3.29Å; F367-K404 PolarHBondContact O-NZ 3.31Å; F367-K404 VanDerWaalsContact O-NZ 3.12Å; G400-K404 WeakPolarHBondContact O-CG 3.28Å; L401-K404 PolarHBondContact O-N 2.83Å; M402-K404 PolarHBondContact O-N 2.93Å; M402-K404 VanDerWaalsContact O-N 3.12Å; K404-P411 VanDerWaalsContact O-CB 3.26Å; K404-P411 WeakPolarHBondContact O-CB 3.38Å
405	T	92.3	Very high	95.9	Very high	81 Å²	81	39.7 Å²	39.7	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-30.6	-166	45.5	0	0	0	0	116.4	L401 M402	L401-T405 HydrophobicContact CD1-CG2 4Å; L401-T405 HydrophobicContact CG-CG2 4.26Å; L401-T405 WeakPolarHBondContact O-CG2 3.47Å; L401-T405 PolarHBondContact O-N 3.19Å; L401-T405 PolarHBondContact O-OG1 3.24Å; M402-T405 PolarHBondContact O-N 3.06Å; M402-T405 PolarHBondContact O-OG1 3.04Å
406	E	87.3	Confident	95.9	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.402	21%	0.214	S	C	.	.	S	Bend	trans	-116.2	-39.9	-166	-71.1	-174.9	-139.3	0	0	116.8	R100 S101 F427	R100-E406 WeakPolarHBondContact CA-OE1 3.43Å; R100-E406 WeakPolarHBondContact CG-OE1 3.36Å; S101-E406 WeakPolarHBondContact CB-OE2 3.34Å; S101-E406 PolarHBondContact N-OE1 2.76Å; E406-F427 HydrophobicContact CB-CD1 4.35Å
407	F	95.3	Very high	95.7	Very high	72 Å²	72	45 Å²	45	32%	0.316	24%	0.237	S	C	.	.	S	Bend	trans	-116.9	-39.8	-164	-177.3	-95.3	0	0	0	115.1	V423 P424 F427	F407-V423 HydrophobicContact CD1-CG1 3.84Å; F407-V423 HydrophobicContact CE1-CB 4.12Å; F407-V423 HydrophobicContact CE1-CG1 3.69Å; F407-V423 HydrophobicContact CE1-CG2 4.03Å; F407-P424 VanDerWaalsContact CE2-CD 3.49Å; F407-P424 HydrophobicContact CE2-CG 3.96Å; F407-P424 HydrophobicContact CZ-CG 4.12Å; F407-F427 HydrophobicContact CB-CB 3.45Å; F407-F427 VanDerWaalsContact CB-CB 3.45Å; F407-F427 HydrophobicContact CB-CD1 3.82Å; F407-F427 HydrophobicContact CB-CD2 4.2Å; F407-F427 HydrophobicContact CB-CG 3.57Å; F407-F427 HydrophobicContact CD1-CB 4.18Å; F407-F427 HydrophobicContact CD2-CB 4.02Å; F407-F427 HydrophobicContact CD2-CD1 4.29Å; F407-F427 AromaticContact CD2-CD2 3.29Å; F407-F427 HydrophobicContact CD2-CD2 3.29Å; F407-F427 AromaticContact CD2-CE2 3.74Å; F407-F427 HydrophobicContact CD2-CE2 3.74Å; F407-F427 AromaticContact CD2-CG 3.61Å; F407-F427 HydrophobicContact CD2-CG 3.61Å; F407-F427 HydrophobicContact CD2-CZ 4.4Å; F407-F427 AromaticContact CE2-CD2 3.85Å; F407-F427 HydrophobicContact CE2-CD2 3.85Å; F407-F427 HydrophobicContact CE2-CE2 4.22Å; F407-F427 HydrophobicContact CG-CB 3.6Å; F407-F427 HydrophobicContact CG-CD1 4.37Å; F407-F427 AromaticContact CG-CD2 3.84Å; F407-F427 HydrophobicContact CG-CD2 3.84Å; F407-F427 AromaticContact CG-CG 3.69Å; F407-F427 HydrophobicContact CG-CG 3.69Å
408	F	96.9	Very high	95.6	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.053	24%	0.238	C	C	.	.			trans	-75.3	135.8	-168.1	-68.4	-78.8	0	0	0	111.7	R366 H403 K410 P411 N418 F419 V423 F428	R366-F408 VanDerWaalsContact CD-CD2 3.47Å; R366-F408 VanDerWaalsContact CD-CE1 3.49Å; R366-F408 HydrophobicContact CG-CD2 4.17Å; R366-F408 HydrophobicContact CG-CE1 4.4Å; R366-F408 HydrophobicContact CG-CE2 3.73Å; R366-F408 HydrophobicContact CG-CZ 3.83Å; H403-F408 HydrophobicContact CB-CE2 4.4Å; H403-F408 WeakPolarHBondContact O-CD2 3.2Å; F408-K410 VanDerWaalsContact C-N 3.32Å; F408-K410 PolarHBondContact O-N 3.16Å; F408-P411 HydrophobicContact CB-CB 4.48Å; F408-P411 WeakPolarHBondContact O-CD 3.45Å; F408-N418 HydrophobicContact CD1-CB 3.69Å; F408-N418 WeakPolarHBondContact CD1-O 3.47Å; F408-N418 HydrophobicContact CE1-CB 4.34Å; F408-F419 HydrophobicContact CD1-CE2 4.49Å; F408-F419 HydrophobicContact CE1-CD2 4.33Å; F408-F419 HydrophobicContact CE1-CE1 4.06Å; F408-F419 AromaticContact CE1-CE2 3.68Å; F408-F419 HydrophobicContact CE1-CE2 3.68Å; F408-F419 AromaticContact CE1-CZ 3.54Å; F408-F419 HydrophobicContact CE1-CZ 3.54Å; F408-F419 HydrophobicContact CZ-CE1 4.35Å; F408-F419 HydrophobicContact CZ-CE2 4.23Å; F408-F419 AromaticContact CZ-CZ 3.74Å; F408-F419 HydrophobicContact CZ-CZ 3.74Å; F408-V423 HydrophobicContact CE1-CG1 4.13Å; F408-V423 HydrophobicContact CE1-CG2 3.96Å; F408-V423 HydrophobicContact CZ-CG1 4.01Å; F408-F428 HydrophobicContact CE2-CB 4.4Å; F408-F428 HydrophobicContact CE2-CD2 4.23Å; F408-F428 HydrophobicContact CZ-CB 3.89Å; F408-F428 AromaticContact CZ-CD2 3.78Å; F408-F428 HydrophobicContact CZ-CD2 3.78Å; F408-F428 AromaticContact CZ-CG 3.96Å; F408-F428 HydrophobicContact CZ-CG 3.96Å
409	P	95	Very high	95.5	Very high	93 Å²	93	46.3 Å²	46.3	60%	0.604	24%	0.243	S	C	*	.	S	Bend	trans	-65.3	-34.4	-176.1	25.1	-34.6	0	0	0	113	P411 N418	P409-P411 WeakPolarHBondContact O-CD 3.35Å; P409-N418 VanDerWaalsContact CD-OD1 3.23Å; P409-N418 WeakPolarHBondContact CD-OD1 3.41Å; P409-N418 WeakPolarHBondContact CG-OD1 3.47Å
410	K	95.7	Very high	95.2	Very high	75 Å²	75	52.6 Å²	52.6	33%	0.326	27%	0.272	S	S	.	.	S	Bend	trans	-122.9	71.5	177.8	-66.8	-176.2	164.8	-154.2	0	109.8	F408 T412 E413 N418	F408-K410 VanDerWaalsContact C-N 3.32Å; F408-K410 PolarHBondContact O-N 3.16Å; K410-T412 VanDerWaalsContact C-N 3.32Å; K410-T412 PolarHBondContact O-N 3.35Å; K410-E413 HydrophobicContact CB-CB 4.29Å; K410-E413 WeakPolarHBondContact CD-OE2 3.46Å; K410-E413 IonicContact NZ-OE2 3.03Å; K410-E413 PolarHBondContact NZ-OE2 3.24Å; K410-E413 PolarHBondContact O-N 3.2Å; K410-E413 VanDerWaalsContact O-O 3.1Å; K410-N418 PolarHBondContact N-OD1 2.82Å; K410-N418 PolarHBondContact O-ND2 3.08Å; K410-N418 PolarHBondContact O-OD1 2.99Å
411	P	94.2	Very high	95	Very high	35 Å²	35	60.8 Å²	60.8	23%	0.227	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.1	-167.6	27	-32.2	0	0	0	113.5	R366 K404 F408 P409	R366-P411 PolarHBondContact NH1-O 2.9Å; K404-P411 VanDerWaalsContact O-CB 3.26Å; K404-P411 WeakPolarHBondContact O-CB 3.38Å; F408-P411 HydrophobicContact CB-CB 4.48Å; F408-P411 WeakPolarHBondContact O-CD 3.45Å; P409-P411 WeakPolarHBondContact O-CD 3.35Å
412	T	93	Very high	94.7	Very high	111 Å²	111	66.1 Å²	66.1	68%	0.681	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3	-177.8	54.1	0	0	0	0	113.9	K410	K410-T412 VanDerWaalsContact C-N 3.32Å; K410-T412 PolarHBondContact O-N 3.35Å
413	E	95.1	Very high	94.6	Very high	99 Å²	99	67.1 Å²	67.1	46%	0.463	35%	0.346	S	S	.	.	S	Bend	trans	-113.5	149.6	178.2	-64	171.3	-157.2	0	0	109.5	R366 F367 K410 S415	R366-E413 PolarHBondContact NH2-O 2.94Å; F367-E413 VanDerWaalsContact CE2-C 3.46Å; K410-E413 HydrophobicContact CB-CB 4.29Å; K410-E413 WeakPolarHBondContact CD-OE2 3.46Å; K410-E413 IonicContact NZ-OE2 3.03Å; K410-E413 PolarHBondContact NZ-OE2 3.24Å; K410-E413 PolarHBondContact O-N 3.2Å; K410-E413 VanDerWaalsContact O-O 3.1Å; E413-S415 PolarHBondContact O-N 3.34Å
414	F	97.6	Very high	94.5	Very high	25 Å²	25	69.9 Å²	69.9	11%	0.11	36%	0.364	C	S	.	.			trans	-79.5	110.8	165.7	-178.4	-93.4	0	0	0	108.4	L322 N326 F360 E363 F367	L322-F414 HydrophobicContact CB-CE2 4.36Å; L322-F414 HydrophobicContact CB-CZ 4.3Å; L322-F414 HydrophobicContact CD1-CD2 4.1Å; L322-F414 HydrophobicContact CD1-CE2 3.73Å; L322-F414 HydrophobicContact CD1-CZ 4.44Å; L322-F414 HydrophobicContact CD2-CB 4.44Å; L322-F414 HydrophobicContact CD2-CD1 4.46Å; L322-F414 HydrophobicContact CD2-CD2 3.65Å; L322-F414 HydrophobicContact CD2-CE2 3.95Å; L322-F414 HydrophobicContact CD2-CG 3.93Å; L322-F414 HydrophobicContact CD2-CZ 4.47Å; L322-F414 HydrophobicContact CG-CD2 4.4Å; L322-F414 HydrophobicContact CG-CE2 4.22Å; N326-F414 HydrophobicContact CB-CD1 4.39Å; N326-F414 HydrophobicContact CB-CE1 4.23Å; N326-F414 VanDerWaalsContact ND2-CD1 3.33Å; N326-F414 WeakPolarHBondContact ND2-CD1 3.48Å; F360-F414 HydrophobicContact CD2-CE1 4.44Å; F360-F414 AromaticContact CD2-CZ 3.72Å; F360-F414 HydrophobicContact CD2-CZ 3.72Å; F360-F414 HydrophobicContact CE2-CE1 4.47Å; F360-F414 AromaticContact CE2-CZ 3.72Å; F360-F414 HydrophobicContact CE2-CZ 3.72Å; E363-F414 HydrophobicContact CB-CE2 4.18Å; E363-F414 HydrophobicContact CG-CD2 3.73Å; E363-F414 HydrophobicContact CG-CE2 3.59Å; E363-F414 HydrophobicContact CG-CG 4.32Å; E363-F414 HydrophobicContact CG-CZ 4.08Å; F367-F414 HydrophobicContact CB-CD2 3.9Å; F367-F414 HydrophobicContact CD1-CB 3.92Å; F367-F414 AromaticContact CD1-CD2 3.89Å; F367-F414 HydrophobicContact CD1-CD2 3.89Å; F367-F414 HydrophobicContact CD1-CG 4.37Å; F367-F414 HydrophobicContact CD2-CB 4.12Å; F367-F414 HydrophobicContact CE1-CB 3.99Å; F367-F414 HydrophobicContact CE2-CB 4.19Å; F367-F414 HydrophobicContact CG-CB 3.99Å; F367-F414 AromaticContact CG-CD2 3.95Å; F367-F414 HydrophobicContact CG-CD2 3.95Å; F367-F414 HydrophobicContact CG-CG 4.49Å; F367-F414 HydrophobicContact CZ-CB 4.13Å
415	S	96.4	Very high	94.3	Very high	20 Å²	20	69.1 Å²	69.1	14%	0.14	37%	0.369	C	S	.	.			trans	-152.8	128.5	-178.4	-172	0	0	0	0	112.1	E363 E413 M417 N418	E363-S415 PolarHBondContact OE1-N 2.88Å; E413-S415 PolarHBondContact O-N 3.34Å; S415-M417 PolarHBondContact O-N 3.3Å; S415-M417 VanDerWaalsContact O-N 3.11Å; S415-M417 WeakPolarHBondContact OG-CB 3.38Å; S415-M417 PolarHBondContact OG-N 2.92Å; S415-N418 VanDerWaalsContact O-CB 3.28Å; S415-N418 WeakPolarHBondContact O-CB 3.26Å; S415-N418 PolarHBondContact O-N 3.41Å; S415-N418 VanDerWaalsContact O-N 3.09Å; S415-N418 PolarHBondContact O-ND2 3.45Å
416	L	97.1	Very high	94.4	Very high	13 Å²	13	70.3 Å²	70.3	7%	0.068	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-64	-16.3	174.8	-56.5	-168.6	0	0	0	113.1	V329 V356 F360 E363 N418 F419 E420	V329-L416 HydrophobicContact CG1-CD1 3.89Å; V329-L416 HydrophobicContact CG1-CD2 4.47Å; V329-L416 HydrophobicContact CG1-CG 4.38Å; V329-L416 HydrophobicContact CG2-CD1 4.11Å; V329-L416 HydrophobicContact CG2-CG 4.14Å; V356-L416 HydrophobicContact CG1-CD1 4.15Å; F360-L416 HydrophobicContact CB-CD2 4.14Å; E363-L416 HydrophobicContact CB-CD2 4.02Å; E363-L416 HydrophobicContact CG-CD2 4.31Å; L416-N418 PolarHBondContact O-N 2.93Å; L416-N418 VanDerWaalsContact O-N 3.16Å; L416-F419 PolarHBondContact O-N 3.27Å; L416-E420 PolarHBondContact O-N 3.02Å
417	M	95.4	Very high	94.8	Very high	98 Å²	98	68.9 Å²	68.9	48%	0.483	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-57.2	-26.7	172.3	-69.7	179.4	171.6	0	0	112.5	S415 F419 E420	S415-M417 PolarHBondContact O-N 3.3Å; S415-M417 VanDerWaalsContact O-N 3.11Å; S415-M417 WeakPolarHBondContact OG-CB 3.38Å; S415-M417 PolarHBondContact OG-N 2.92Å; M417-F419 PolarHBondContact O-N 2.98Å; M417-E420 WeakPolarHBondContact CG-OE1 3.36Å; M417-E420 PolarHBondContact O-N 3.13Å
418	N	96.9	Very high	95	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.7	174.8	-74	-38	0	0	0	113.1	E363 R366 F408 P409 K410 S415 L416	E363-N418 PolarHBondContact OE1-ND2 3.43Å; E363-N418 VanDerWaalsContact OE2-CB 3.3Å; E363-N418 WeakPolarHBondContact OE2-CB 3.46Å; E363-N418 PolarHBondContact OE2-ND2 2.96Å; R366-N418 PolarHBondContact NH2-ND2 2.95Å; F408-N418 HydrophobicContact CD1-CB 3.69Å; F408-N418 WeakPolarHBondContact CD1-O 3.47Å; F408-N418 HydrophobicContact CE1-CB 4.34Å; P409-N418 VanDerWaalsContact CD-OD1 3.23Å; P409-N418 WeakPolarHBondContact CD-OD1 3.41Å; P409-N418 WeakPolarHBondContact CG-OD1 3.47Å; K410-N418 PolarHBondContact N-OD1 2.82Å; K410-N418 PolarHBondContact O-ND2 3.08Å; K410-N418 PolarHBondContact O-OD1 2.99Å; S415-N418 VanDerWaalsContact O-CB 3.28Å; S415-N418 WeakPolarHBondContact O-CB 3.26Å; S415-N418 PolarHBondContact O-N 3.41Å; S415-N418 VanDerWaalsContact O-N 3.09Å; S415-N418 PolarHBondContact O-ND2 3.45Å; L416-N418 PolarHBondContact O-N 2.93Å; L416-N418 VanDerWaalsContact O-N 3.16Å
419	F	96.7	Very high	95	Very high	25 Å²	25	66.4 Å²	66.4	11%	0.11	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-122.1	11.6	-178	-72.8	-88.2	0	0	0	113.8	N362 E363 R366 F408 L416 M417 K421 V423 F428	N362-F419 HydrophobicContact CB-CD1 3.85Å; N362-F419 HydrophobicContact CB-CD2 4.4Å; N362-F419 HydrophobicContact CB-CE1 3.55Å; N362-F419 HydrophobicContact CB-CE2 4.13Å; N362-F419 HydrophobicContact CB-CG 4.27Å; N362-F419 HydrophobicContact CB-CZ 3.7Å; E363-F419 HydrophobicContact CB-CD2 3.9Å; E363-F419 HydrophobicContact CB-CE2 4.02Å; E363-F419 WeakPolarHBondContact OE2-CD2 3.31Å; E363-F419 WeakPolarHBondContact OE2-CE2 3.38Å; R366-F419 HydrophobicContact CB-CE2 4.18Å; R366-F419 HydrophobicContact CB-CZ 4.28Å; F408-F419 HydrophobicContact CD1-CE2 4.49Å; F408-F419 HydrophobicContact CE1-CD2 4.33Å; F408-F419 HydrophobicContact CE1-CE1 4.06Å; F408-F419 AromaticContact CE1-CE2 3.68Å; F408-F419 HydrophobicContact CE1-CE2 3.68Å; F408-F419 AromaticContact CE1-CZ 3.54Å; F408-F419 HydrophobicContact CE1-CZ 3.54Å; F408-F419 HydrophobicContact CZ-CE1 4.35Å; F408-F419 HydrophobicContact CZ-CE2 4.23Å; F408-F419 AromaticContact CZ-CZ 3.74Å; F408-F419 HydrophobicContact CZ-CZ 3.74Å; L416-F419 PolarHBondContact O-N 3.27Å; M417-F419 PolarHBondContact O-N 2.98Å; F419-K421 PolarHBondContact O-N 2.97Å; F419-V423 HydrophobicContact CD1-CG2 3.62Å; F419-V423 HydrophobicContact CE1-CB 4.39Å; F419-V423 HydrophobicContact CE1-CG2 3.76Å; F419-V423 HydrophobicContact CG-CG2 4.38Å; F419-F428 AromaticContact CE1-CD1 3.77Å; F419-F428 HydrophobicContact CE1-CD1 3.77Å; F419-F428 AromaticContact CE1-CE1 3.72Å; F419-F428 HydrophobicContact CE1-CE1 3.72Å; F419-F428 HydrophobicContact CE1-CG 4.28Å; F419-F428 HydrophobicContact CE1-CZ 4.22Å; F419-F428 AromaticContact CZ-CD1 3.99Å; F419-F428 HydrophobicContact CZ-CD1 3.99Å; F419-F428 HydrophobicContact CZ-CD2 4.19Å; F419-F428 AromaticContact CZ-CE1 3.76Å; F419-F428 HydrophobicContact CZ-CE1 3.76Å; F419-F428 HydrophobicContact CZ-CE2 4Å; F419-F428 HydrophobicContact CZ-CG 4.19Å; F419-F428 AromaticContact CZ-CZ 3.77Å; F419-F428 HydrophobicContact CZ-CZ 3.77Å
420	E	91	Very high	95	Very high	138 Å²	138	63.3 Å²	63.3	65%	0.645	33%	0.326	S	S	*	.	S	Bend	trans	-62.9	-31	174.1	-84.6	176.6	-173.6	0	0	112.8	L416 M417	L416-E420 PolarHBondContact O-N 3.02Å; M417-E420 WeakPolarHBondContact CG-OE1 3.36Å; M417-E420 PolarHBondContact O-N 3.13Å
421	K	91.6	Very high	95.1	Very high	177 Å²	177	62.1 Å²	62.1	77%	0.77	32%	0.321	S	S	*	.	S	Bend	trans	-106.7	151.7	174	-64.8	-179.3	-177.5	175.8	0	109.8	F419 V423	F419-K421 PolarHBondContact O-N 2.97Å; K421-V423 PolarHBondContact O-N 3.17Å; K421-V423 VanDerWaalsContact O-N 3.11Å
422	T	92.3	Very high	95.2	Very high	136 Å²	136	61 Å²	61	83%	0.834	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-56.4	119	173.9	-52.3	0	0	0	0	110.6	P424	T422-P424 WeakPolarHBondContact O-CD 3.41Å
423	V	94.9	Very high	95.4	Very high	25 Å²	25	56.8 Å²	56.8	15%	0.152	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-84.7	119.6	178.5	-177.6	0	0	0	0	109	F407 F408 F419 K421 S425 F428	F407-V423 HydrophobicContact CD1-CG1 3.84Å; F407-V423 HydrophobicContact CE1-CB 4.12Å; F407-V423 HydrophobicContact CE1-CG1 3.69Å; F407-V423 HydrophobicContact CE1-CG2 4.03Å; F408-V423 HydrophobicContact CE1-CG1 4.13Å; F408-V423 HydrophobicContact CE1-CG2 3.96Å; F408-V423 HydrophobicContact CZ-CG1 4.01Å; F419-V423 HydrophobicContact CD1-CG2 3.62Å; F419-V423 HydrophobicContact CE1-CB 4.39Å; F419-V423 HydrophobicContact CE1-CG2 3.76Å; F419-V423 HydrophobicContact CG-CG2 4.38Å; K421-V423 PolarHBondContact O-N 3.17Å; K421-V423 VanDerWaalsContact O-N 3.11Å; V423-S425 PolarHBondContact O-N 3.27Å; V423-F428 HydrophobicContact CG1-CB 3.58Å; V423-F428 HydrophobicContact CG1-CG 4.5Å
424	P	95	Very high	95.4	Very high	60 Å²	60	53.6 Å²	53.6	39%	0.39	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.9	135.5	176.1	-19.9	31.4	0	0	0	110.4	F407 T422 R426 F427	F407-P424 VanDerWaalsContact CE2-CD 3.49Å; F407-P424 HydrophobicContact CE2-CG 3.96Å; F407-P424 HydrophobicContact CZ-CG 4.12Å; T422-P424 WeakPolarHBondContact O-CD 3.41Å; P424-R426 PolarHBondContact O-N 2.84Å; P424-F427 HydrophobicContact CB-CD2 3.95Å; P424-F427 HydrophobicContact CB-CE2 4.4Å; P424-F427 HydrophobicContact CG-CD2 4.05Å; P424-F427 HydrophobicContact CG-CE2 4.39Å; P424-F427 PolarHBondContact O-N 3.05Å
425	S	90.1	Very high	95.3	Very high	66 Å²	66	54.9 Å²	54.9	46%	0.462	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-51.5	-33.3	-177.2	64	0	0	0	0	113.1	V423 F427 F428 Q429	V423-S425 PolarHBondContact O-N 3.27Å; S425-F427 PolarHBondContact O-N 3.02Å; S425-F427 VanDerWaalsContact O-N 3.12Å; S425-F428 CarbonylContact O-C 3.59Å; S425-F428 PolarHBondContact O-N 3.33Å; S425-Q429 VanDerWaalsContact O-CD 3.32Å; S425-Q429 WeakPolarHBondContact O-CG 3.47Å; S425-Q429 PolarHBondContact O-NE2 3.08Å
426	R	94.9	Very high	95.4	Very high	107 Å²	107	54.3 Å²	54.3	40%	0.404	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-52.2	-37.8	178.2	-169.5	174.6	-155.6	178.2	6	113.2	S101 S102 Y105 P424	S101-R426 PolarHBondContact OG-O 3.35Å; S102-R426 VanDerWaalsContact CB-NH2 3.35Å; Y105-R426 HydrophobicContact CD1-CB 4.48Å; Y105-R426 HydrophobicContact CD1-CG 3.93Å; Y105-R426 HydrophobicContact CD2-CB 4.13Å; Y105-R426 HydrophobicContact CD2-CG 4.05Å; Y105-R426 HydrophobicContact CE1-CG 4.44Å; Y105-R426 HydrophobicContact CE2-CB 4.24Å; Y105-R426 HydrophobicContact CG-CB 4.25Å; Y105-R426 HydrophobicContact CG-CG 3.69Å; P424-R426 PolarHBondContact O-N 2.84Å
427	F	96.9	Very high	95.3	Very high	55 Å²	55	54.5 Å²	54.5	24%	0.241	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-94.6	-14.8	-172.4	-61.2	-67.8	0	0	0	114.4	S101 E406 F407 P424 S425	S101-F427 WeakPolarHBondContact OG-CD1 3.32Å; E406-F427 HydrophobicContact CB-CD1 4.35Å; F407-F427 HydrophobicContact CB-CB 3.45Å; F407-F427 VanDerWaalsContact CB-CB 3.45Å; F407-F427 HydrophobicContact CB-CD1 3.82Å; F407-F427 HydrophobicContact CB-CD2 4.2Å; F407-F427 HydrophobicContact CB-CG 3.57Å; F407-F427 HydrophobicContact CD1-CB 4.18Å; F407-F427 HydrophobicContact CD2-CB 4.02Å; F407-F427 HydrophobicContact CD2-CD1 4.29Å; F407-F427 AromaticContact CD2-CD2 3.29Å; F407-F427 HydrophobicContact CD2-CD2 3.29Å; F407-F427 AromaticContact CD2-CE2 3.74Å; F407-F427 HydrophobicContact CD2-CE2 3.74Å; F407-F427 AromaticContact CD2-CG 3.61Å; F407-F427 HydrophobicContact CD2-CG 3.61Å; F407-F427 HydrophobicContact CD2-CZ 4.4Å; F407-F427 AromaticContact CE2-CD2 3.85Å; F407-F427 HydrophobicContact CE2-CD2 3.85Å; F407-F427 HydrophobicContact CE2-CE2 4.22Å; F407-F427 HydrophobicContact CG-CB 3.6Å; F407-F427 HydrophobicContact CG-CD1 4.37Å; F407-F427 AromaticContact CG-CD2 3.84Å; F407-F427 HydrophobicContact CG-CD2 3.84Å; F407-F427 AromaticContact CG-CG 3.69Å; F407-F427 HydrophobicContact CG-CG 3.69Å; P424-F427 HydrophobicContact CB-CD2 3.95Å; P424-F427 HydrophobicContact CB-CE2 4.4Å; P424-F427 HydrophobicContact CG-CD2 4.05Å; P424-F427 HydrophobicContact CG-CE2 4.39Å; P424-F427 PolarHBondContact O-N 3.05Å; S425-F427 PolarHBondContact O-N 3.02Å; S425-F427 VanDerWaalsContact O-N 3.12Å
428	F	97.6	Very high	95.4	Very high	23 Å²	23	52.5 Å²	52.5	10%	0.101	29%	0.288	C	S	.	.			trans	-135.3	114.6	179	-175.2	-121.7	0	0	0	111.2	N362 R366 H403 F408 F419 V423 S425 P430	N362-F428 HydrophobicContact CB-CE1 3.96Å; N362-F428 HydrophobicContact CB-CZ 4.16Å; N362-F428 WeakPolarHBondContact O-CZ 3.22Å; R366-F428 HydrophobicContact CB-CD2 4.36Å; R366-F428 HydrophobicContact CB-CE2 3.66Å; R366-F428 HydrophobicContact CB-CZ 4.37Å; R366-F428 HydrophobicContact CG-CD2 4.33Å; R366-F428 HydrophobicContact CG-CE2 4.12Å; H403-F428 AromaticContact CD2-CD2 3.93Å; H403-F428 AromaticContact CE1-CD2 3.73Å; H403-F428 AromaticContact CE1-CE2 3.81Å; H403-F428 AromaticContact ND1-CD2 3.85Å; H403-F428 AromaticContact ND1-CE2 3.81Å; H403-F428 AromaticContact NE2-CD2 3.78Å; F408-F428 HydrophobicContact CE2-CB 4.4Å; F408-F428 HydrophobicContact CE2-CD2 4.23Å; F408-F428 HydrophobicContact CZ-CB 3.89Å; F408-F428 AromaticContact CZ-CD2 3.78Å; F408-F428 HydrophobicContact CZ-CD2 3.78Å; F408-F428 AromaticContact CZ-CG 3.96Å; F408-F428 HydrophobicContact CZ-CG 3.96Å; F419-F428 AromaticContact CE1-CD1 3.77Å; F419-F428 HydrophobicContact CE1-CD1 3.77Å; F419-F428 AromaticContact CE1-CE1 3.72Å; F419-F428 HydrophobicContact CE1-CE1 3.72Å; F419-F428 HydrophobicContact CE1-CG 4.28Å; F419-F428 HydrophobicContact CE1-CZ 4.22Å; F419-F428 AromaticContact CZ-CD1 3.99Å; F419-F428 HydrophobicContact CZ-CD1 3.99Å; F419-F428 HydrophobicContact CZ-CD2 4.19Å; F419-F428 AromaticContact CZ-CE1 3.76Å; F419-F428 HydrophobicContact CZ-CE1 3.76Å; F419-F428 HydrophobicContact CZ-CE2 4Å; F419-F428 HydrophobicContact CZ-CG 4.19Å; F419-F428 AromaticContact CZ-CZ 3.77Å; F419-F428 HydrophobicContact CZ-CZ 3.77Å; V423-F428 HydrophobicContact CG1-CB 3.58Å; V423-F428 HydrophobicContact CG1-CG 4.5Å; S425-F428 CarbonylContact O-C 3.59Å; S425-F428 PolarHBondContact O-N 3.33Å; F428-P430 HydrophobicContact CD1-CG 4.2Å; F428-P430 HydrophobicContact CE1-CB 4.49Å; F428-P430 HydrophobicContact CE1-CG 3.58Å; F428-P430 HydrophobicContact CE2-CB 4.17Å; F428-P430 HydrophobicContact CE2-CG 4.04Å; F428-P430 HydrophobicContact CZ-CB 3.91Å; F428-P430 HydrophobicContact CZ-CG 3.49Å; F428-P430 VanDerWaalsContact CZ-CG 3.49Å
429	Q	97.1	Very high	95.4	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.047	29%	0.294	C	S	.	.			trans	-137.7	55.6	-170.7	-69.3	-67.1	-19.9	0	0	112	L108 M402 H403 S425 F431 G432 C433	L108-Q429 HydrophobicContact CD1-CB 4.2Å; L108-Q429 HydrophobicContact CD1-CG 4.05Å; M402-Q429 HydrophobicContact CE-CB 4.07Å; M402-Q429 HydrophobicContact CE-CG 4.33Å; H403-Q429 PolarHBondContact NE2-N 3.47Å; H403-Q429 VanDerWaalsContact NE2-N 3.14Å; S425-Q429 VanDerWaalsContact O-CD 3.32Å; S425-Q429 WeakPolarHBondContact O-CG 3.47Å; S425-Q429 PolarHBondContact O-NE2 3.08Å; Q429-F431 PolarHBondContact O-N 2.9Å; Q429-G432 PolarHBondContact O-N 3.29Å; Q429-G432 VanDerWaalsContact O-N 3.17Å; Q429-G432 PolarHBondContact OE1-O 3.48Å; Q429-C433 VanDerWaalsContact OE1-CB 3.27Å
430	P	96.8	Very high	95.3	Very high	27 Å²	27	52.9 Å²	52.9	18%	0.175	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.9	-177.8	29	-37.5	0	0	0	112.7	L365 F428	L365-P430 HydrophobicContact CB-CB 4.13Å; L365-P430 HydrophobicContact CD1-CB 4.18Å; F428-P430 HydrophobicContact CD1-CG 4.2Å; F428-P430 HydrophobicContact CE1-CB 4.49Å; F428-P430 HydrophobicContact CE1-CG 3.58Å; F428-P430 HydrophobicContact CE2-CB 4.17Å; F428-P430 HydrophobicContact CE2-CG 4.04Å; F428-P430 HydrophobicContact CZ-CB 3.91Å; F428-P430 HydrophobicContact CZ-CG 3.49Å; F428-P430 VanDerWaalsContact CZ-CG 3.49Å
431	F	97.6	Very high	95.4	Very high	50 Å²	50	49.7 Å²	49.7	22%	0.219	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	4.2	179.4	-61.2	-65.5	0	0	0	113.3	L365 Q429 C438 K441 A444 M445 M448	L365-F431 HydrophobicContact CD1-CE2 4.07Å; L365-F431 HydrophobicContact CD1-CZ 3.81Å; Q429-F431 PolarHBondContact O-N 2.9Å; F431-C438 HydrophobicContact CB-CB 3.92Å; F431-C438 HydrophobicContact CD1-CB 4.33Å; F431-C438 VanDerWaalsContact O-CB 3.27Å; F431-C438 WeakPolarHBondContact O-CB 3.16Å; F431-C438 PolarHBondContact O-N 2.84Å; F431-K441 HydrophobicContact CB-CB 3.62Å; F431-K441 HydrophobicContact CD1-CB 4.27Å; F431-K441 HydrophobicContact CD2-CB 4.11Å; F431-K441 HydrophobicContact CG-CB 3.74Å; F431-A444 HydrophobicContact CE1-CB 4.06Å; F431-A444 HydrophobicContact CZ-CB 4.23Å; F431-M445 HydrophobicContact CE2-CG 4.07Å; F431-M445 HydrophobicContact CE2-SD 3.93Å; F431-M445 HydrophobicContact CZ-CG 4.44Å; F431-M445 HydrophobicContact CZ-SD 4.21Å; F431-M448 HydrophobicContact CZ-CE 4.01Å
432	G	95.9	Very high	95.4	Very high	13 Å²	13	46.2 Å²	46.2	13%	0.134	27%	0.265	C	S	.	.			trans	62.4	176.6	-167.7	0	0	0	0	0	114.1	Q429	Q429-G432 PolarHBondContact O-N 3.29Å; Q429-G432 VanDerWaalsContact O-N 3.17Å; Q429-G432 PolarHBondContact OE1-O 3.48Å
433	C	95.9	Very high	95.4	Very high	21 Å²	21	40 Å²	40	14%	0.142	23%	0.227	C	C	.	.			trans	-135	-179.7	176.2	66.3	0	0	0	0	112.2	L108 Q429	L108-C433 VanDerWaalsContact CB-SG 3.54Å; L108-C433 VanDerWaalsContact O-O 3.09Å; Q429-C433 VanDerWaalsContact OE1-CB 3.27Å
434	G	95.7	Very high	95.4	Very high	33 Å²	33	39.6 Å²	39.6	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	72.6	-162.3	178.1	0	0	0	0	0	114.3	R436 S437	G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 3.26Å; G434-S437 WeakPolarHBondContact O-CB 3.31Å; G434-S437 PolarHBondContact O-N 3.23Å; G434-S437 PolarHBondContact O-OG 3Å
435	P	96.2	Very high	95.4	Very high	52 Å²	52	38.2 Å²	38.2	34%	0.338	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.6	-165.7	23.5	-34.7	0	0	0	114.2	T114 W142 R146	T114-P435 HydrophobicContact CG2-CB 3.79Å; T114-P435 HydrophobicContact CG2-CG 3.4Å; W142-P435 WeakPolarHBondContact CH2-O 2.98Å; R146-P435 PolarHBondContact NE-O 2.94Å; R146-P435 PolarHBondContact NH2-O 3.23Å
436	R	97.4	Very high	95.5	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.03	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	36.4	178.7	-166.3	156.6	-173.9	161.8	5.6	112.4	T114 I133 I134 N136 W142 R376 G434	T114-R436 WeakPolarHBondContact O-CD 3.34Å; T114-R436 PolarHBondContact O-NH1 3.49Å; I133-R436 PolarHBondContact O-NH2 3.03Å; I134-R436 PolarHBondContact O-NH2 3.33Å; N136-R436 VanDerWaalsContact O-CZ 3.31Å; N136-R436 PolarHBondContact O-NH1 3.37Å; N136-R436 PolarHBondContact O-NH2 3.24Å; W142-R436 HydrophobicContact CH2-CB 3.92Å; W142-R436 HydrophobicContact CH2-CG 4.24Å; W142-R436 HydrophobicContact CZ2-CB 3.63Å; W142-R436 HydrophobicContact CZ2-CG 3.48Å; W142-R436 VanDerWaalsContact CZ2-CG 3.48Å; R376-R436 PolarHBondContact NH2-O 3.19Å; R376-R436 VanDerWaalsContact NH2-O 3.13Å; G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 3.26Å
437	S	96.8	Very high	95.5	Very high	16 Å²	16	31.8 Å²	31.8	11%	0.112	18%	0.184	C	C	.	.	S	Bend	trans	-66.1	163.7	168.6	46.4	0	0	0	0	112	R146 G434 V439	R146-S437 PolarHBondContact NH1-O 3.4Å; R146-S437 VanDerWaalsContact NH1-O 3.08Å; R146-S437 PolarHBondContact NH2-O 3.33Å; G434-S437 WeakPolarHBondContact O-CB 3.31Å; G434-S437 PolarHBondContact O-N 3.23Å; G434-S437 PolarHBondContact O-OG 3Å; S437-V439 PolarHBondContact O-N 3.46Å
438	C	97.5	Very high	95.5	Very high	56 Å²	56	29.3 Å²	29.3	38%	0.378	17%	0.173	S	C	.	.			trans	-54.1	123.9	170.9	-180	0	0	0	0	109.8	F431 G440 K441	F431-C438 HydrophobicContact CB-CB 3.92Å; F431-C438 HydrophobicContact CD1-CB 4.33Å; F431-C438 VanDerWaalsContact O-CB 3.27Å; F431-C438 WeakPolarHBondContact O-CB 3.16Å; F431-C438 PolarHBondContact O-N 2.84Å; C438-G440 VanDerWaalsContact C-N 3.28Å; C438-G440 PolarHBondContact SG-N 2.87Å; C438-G440 VanDerWaalsContact SG-N 3.45Å; C438-K441 HydrophobicContact CB-CB 4.31Å
439	V	95.9	Very high	95.4	Very high	26 Å²	26	28.7 Å²	28.7	16%	0.158	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.8	-179.6	63.8	0	0	0	0	111.4	I133 F149 L153 S437	I133-V439 HydrophobicContact CD1-CG1 3.82Å; F149-V439 HydrophobicContact CB-CG1 4.22Å; F149-V439 HydrophobicContact CB-CG2 3.88Å; F149-V439 HydrophobicContact CD1-CG1 4.42Å; L153-V439 HydrophobicContact CD1-CB 4.22Å; L153-V439 HydrophobicContact CD1-CG1 3.59Å; L153-V439 HydrophobicContact CD1-CG2 3.94Å; S437-V439 PolarHBondContact O-N 3.46Å
440	G	94.6	Very high	95.2	Very high	12 Å²	12	28.2 Å²	28.2	12%	0.124	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	11.1	178.1	0	0	0	0	0	115.3	C438 H442 I443 A444	C438-G440 VanDerWaalsContact C-N 3.28Å; C438-G440 PolarHBondContact SG-N 2.87Å; C438-G440 VanDerWaalsContact SG-N 3.45Å; G440-H442 VanDerWaalsContact C-N 3.29Å; G440-H442 PolarHBondContact O-N 2.73Å; G440-I443 WeakPolarHBondContact O-CG2 3.27Å; G440-I443 PolarHBondContact O-N 2.96Å; G440-A444 VanDerWaalsContact O-CB 3.26Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.34Å
441	K	93.7	Very high	95.2	Very high	70 Å²	70	27 Å²	27	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-56.6	-37.7	-170.3	70.6	-176.9	-173.7	176.3	0	114.5	F431 C438	F431-K441 HydrophobicContact CB-CB 3.62Å; F431-K441 HydrophobicContact CD1-CB 4.27Å; F431-K441 HydrophobicContact CD2-CB 4.11Å; F431-K441 HydrophobicContact CG-CB 3.74Å; C438-K441 HydrophobicContact CB-CB 4.31Å
442	H	91.7	Very high	95.1	Very high	104 Å²	104	24.7 Å²	24.7	48%	0.481	15%	0.15	S	C	.	.	H	α-helix	trans	-78.9	-46.7	-178.1	-66.4	-65.1	0	0	0	111.3	G440 A444 M445 V446	G440-H442 VanDerWaalsContact C-N 3.29Å; G440-H442 PolarHBondContact O-N 2.73Å; H442-A444 VanDerWaalsContact C-N 3.32Å; H442-A444 PolarHBondContact O-N 3.33Å; H442-M445 PolarHBondContact O-N 2.88Å; H442-V446 PolarHBondContact O-N 3.44Å
443	I	92.1	Very high	95	Very high	7 Å²	7	24 Å²	24	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-35.3	178.6	-172.6	171.2	0	0	0	112.1	L153 L158 T161 M203 F204 G440 M445 V446 M447	L153-I443 HydrophobicContact CB-CG2 4.27Å; L153-I443 HydrophobicContact CD2-CD1 4.12Å; L153-I443 HydrophobicContact CD2-CG2 3.81Å; L158-I443 HydrophobicContact CD1-CB 3.97Å; L158-I443 HydrophobicContact CD1-CG1 4.26Å; T161-I443 HydrophobicContact CG2-CD1 4.06Å; T161-I443 HydrophobicContact CG2-CG1 3.76Å; M203-I443 HydrophobicContact CE-CD1 3.37Å; M203-I443 HydrophobicContact SD-CD1 3.84Å; F204-I443 HydrophobicContact CZ-CD1 4.07Å; G440-I443 WeakPolarHBondContact O-CG2 3.27Å; G440-I443 PolarHBondContact O-N 2.96Å; I443-M445 VanDerWaalsContact C-N 3.35Å; I443-M445 PolarHBondContact O-N 2.9Å; I443-V446 PolarHBondContact O-N 3.02Å; I443-V446 VanDerWaalsContact O-N 3.16Å; I443-M447 HydrophobicContact CG1-CG 4.14Å; I443-M447 HydrophobicContact CG1-SD 4.21Å; I443-M447 WeakPolarHBondContact O-CB 3.3Å; I443-M447 WeakPolarHBondContact O-CG 3.11Å; I443-M447 PolarHBondContact O-N 3.38Å
444	A	94.8	Very high	94.9	Very high	16 Å²	16	23.3 Å²	23.3	13%	0.132	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-44.3	175.2	0	0	0	0	0	112	L312 F431 G440 H442 V446 M447 M448	L312-A444 HydrophobicContact CD1-CB 4.21Å; F431-A444 HydrophobicContact CE1-CB 4.06Å; F431-A444 HydrophobicContact CZ-CB 4.23Å; G440-A444 VanDerWaalsContact O-CB 3.26Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.34Å; H442-A444 VanDerWaalsContact C-N 3.32Å; H442-A444 PolarHBondContact O-N 3.33Å; A444-V446 VanDerWaalsContact C-N 3.35Å; A444-V446 PolarHBondContact O-N 3.29Å; A444-M447 PolarHBondContact O-N 3.26Å; A444-M448 HydrophobicContact CB-CE 4.38Å; A444-M448 WeakPolarHBondContact O-CB 3.27Å; A444-M448 WeakPolarHBondContact O-CE 3.41Å; A444-M448 WeakPolarHBondContact O-CG 3.22Å; A444-M448 PolarHBondContact O-N 3.47Å
445	M	94.3	Very high	94.9	Very high	31 Å²	31	21.8 Å²	21.8	15%	0.153	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-41.2	175.6	-71.1	-60.8	-64.7	0	0	112.1	E358 I361 F431 H442 I443 M448 K449	E358-M445 HydrophobicContact CG-CE 3.93Å; I361-M445 HydrophobicContact CB-CE 4.22Å; I361-M445 HydrophobicContact CG2-CE 3.69Å; I361-M445 HydrophobicContact CG2-SD 3.68Å; F431-M445 HydrophobicContact CE2-CG 4.07Å; F431-M445 HydrophobicContact CE2-SD 3.93Å; F431-M445 HydrophobicContact CZ-CG 4.44Å; F431-M445 HydrophobicContact CZ-SD 4.21Å; H442-M445 PolarHBondContact O-N 2.88Å; I443-M445 VanDerWaalsContact C-N 3.35Å; I443-M445 PolarHBondContact O-N 2.9Å; M445-M448 HydrophobicContact CG-CE 4.43Å; M445-M448 HydrophobicContact SD-CE 3.57Å; M445-M448 VanDerWaalsContact SD-CE 3.57Å; M445-K449 WeakPolarHBondContact O-CB 3.24Å; M445-K449 WeakPolarHBondContact O-CG 3.17Å; M445-K449 PolarHBondContact O-N 3.1Å
446	V	92.1	Very high	94.9	Very high	28 Å²	28	19.4 Å²	19.4	17%	0.17	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-47	176	173.2	0	0	0	0	111.2	L158 T161 V162 H442 I443 A444 K449 A450	L158-V446 HydrophobicContact CD1-CB 4.16Å; L158-V446 HydrophobicContact CD1-CG2 3.75Å; L158-V446 HydrophobicContact CG-CG2 4.28Å; T161-V446 HydrophobicContact CG2-CG1 3.85Å; V162-V446 HydrophobicContact CG2-CG1 3.53Å; H442-V446 PolarHBondContact O-N 3.44Å; I443-V446 PolarHBondContact O-N 3.02Å; I443-V446 VanDerWaalsContact O-N 3.16Å; A444-V446 VanDerWaalsContact C-N 3.35Å; A444-V446 PolarHBondContact O-N 3.29Å; V446-K449 PolarHBondContact O-N 3.05Å; V446-A450 WeakPolarHBondContact O-CB 3.39Å; V446-A450 PolarHBondContact O-N 2.71Å
447	M	94.8	Very high	94.6	Very high	9 Å²	9	21 Å²	21	4%	0.044	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-49.3	178	-72.8	-176.9	67.3	0	0	111.5	T161 V196 I199 L312 I443 A444 K449 A450 I451	T161-M447 HydrophobicContact CG2-CG 3.92Å; V196-M447 HydrophobicContact CB-CE 4.36Å; V196-M447 HydrophobicContact CG1-CE 4.23Å; I199-M447 HydrophobicContact CB-CE 4.09Å; I199-M447 HydrophobicContact CD1-CE 4.05Å; I199-M447 HydrophobicContact CG2-CE 3.65Å; I199-M447 HydrophobicContact CG2-SD 4.32Å; L312-M447 HydrophobicContact CD1-CB 3.76Å; L312-M447 HydrophobicContact CD1-CE 4.23Å; L312-M447 HydrophobicContact CD1-SD 4.13Å; L312-M447 HydrophobicContact CD2-CB 4.49Å; L312-M447 HydrophobicContact CD2-CE 4.43Å; I443-M447 HydrophobicContact CG1-CG 4.14Å; I443-M447 HydrophobicContact CG1-SD 4.21Å; I443-M447 WeakPolarHBondContact O-CB 3.3Å; I443-M447 WeakPolarHBondContact O-CG 3.11Å; I443-M447 PolarHBondContact O-N 3.38Å; A444-M447 PolarHBondContact O-N 3.26Å; M447-K449 VanDerWaalsContact C-N 3.34Å; M447-K449 PolarHBondContact O-N 3.25Å; M447-A450 PolarHBondContact O-N 2.97Å; M447-I451 HydrophobicContact CB-CD1 4.46Å; M447-I451 WeakPolarHBondContact O-CB 3.14Å; M447-I451 WeakPolarHBondContact O-CD1 3.32Å; M447-I451 VanDerWaalsContact O-CG1 3.22Å; M447-I451 WeakPolarHBondContact O-CG1 3.35Å; M447-I451 PolarHBondContact O-N 3.4Å
448	M	97.3	Very high	94.4	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-44.8	178.8	-71.8	-178.8	-66.9	0	0	111.4	L312 L316 M319 I361 L365 F431 A444 M445 L452	L312-M448 HydrophobicContact CD1-CG 4.08Å; L312-M448 HydrophobicContact CD2-CG 4.29Å; L312-M448 HydrophobicContact CG-CG 3.96Å; L316-M448 HydrophobicContact CD2-CB 4.24Å; L316-M448 HydrophobicContact CD2-CG 4.15Å; L316-M448 HydrophobicContact CG-CG 4.42Å; M319-M448 HydrophobicContact CE-SD 3.68Å; M319-M448 HydrophobicContact SD-SD 4.33Å; I361-M448 HydrophobicContact CD1-CB 4.01Å; I361-M448 HydrophobicContact CG2-CE 3.69Å; I361-M448 HydrophobicContact CG2-SD 4.04Å; L365-M448 HydrophobicContact CD1-CE 4.2Å; F431-M448 HydrophobicContact CZ-CE 4.01Å; A444-M448 HydrophobicContact CB-CE 4.38Å; A444-M448 WeakPolarHBondContact O-CB 3.27Å; A444-M448 WeakPolarHBondContact O-CE 3.41Å; A444-M448 WeakPolarHBondContact O-CG 3.22Å; A444-M448 PolarHBondContact O-N 3.47Å; M445-M448 HydrophobicContact CG-CE 4.43Å; M445-M448 HydrophobicContact SD-CE 3.57Å; M445-M448 VanDerWaalsContact SD-CE 3.57Å; M448-L452 VanDerWaalsContact O-CB 3.26Å; M448-L452 WeakPolarHBondContact O-CB 3.17Å; M448-L452 WeakPolarHBondContact O-CD1 3.36Å; M448-L452 WeakPolarHBondContact O-CG 3.44Å; M448-L452 PolarHBondContact O-N 3.09Å
449	K	94.9	Very high	94.2	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.039	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-51.3	175.1	-76.2	-176.5	171.4	-164.2	0	111.9	H351 L354 L357 E358 I361 M445 V446 M447 I451 L452 V453	H351-K449 HydrophobicContact CB-CD 4.48Å; H351-K449 PolarHBondContact O-NZ 3.45Å; L354-K449 PolarHBondContact O-NZ 3.44Å; L357-K449 HydrophobicContact CD2-CB 4.14Å; L357-K449 HydrophobicContact CD2-CG 4Å; L357-K449 HydrophobicContact CG-CG 4.36Å; E358-K449 WeakPolarHBondContact OE2-CE 3.29Å; E358-K449 IonicContact OE2-NZ 2.68Å; E358-K449 PolarHBondContact OE2-NZ 3Å; I361-K449 HydrophobicContact CD1-CB 4.47Å; I361-K449 HydrophobicContact CD1-CG 3.56Å; M445-K449 WeakPolarHBondContact O-CB 3.24Å; M445-K449 WeakPolarHBondContact O-CG 3.17Å; M445-K449 PolarHBondContact O-N 3.1Å; V446-K449 PolarHBondContact O-N 3.05Å; M447-K449 VanDerWaalsContact C-N 3.34Å; M447-K449 PolarHBondContact O-N 3.25Å; K449-I451 PolarHBondContact O-N 3.39Å; K449-L452 PolarHBondContact O-N 2.89Å; K449-V453 WeakPolarHBondContact O-CB 3.12Å; K449-V453 WeakPolarHBondContact O-CG2 3.45Å; K449-V453 PolarHBondContact O-N 3.35Å
450	A	93.3	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-42.2	-176.1	0	0	0	0	0	112.5	C165 V166 V446 M447 T454	C165-A450 HydrophobicContact CB-CB 3.54Å; V166-A450 HydrophobicContact CG2-CB 4.45Å; V446-A450 WeakPolarHBondContact O-CB 3.39Å; V446-A450 PolarHBondContact O-N 2.71Å; M447-A450 PolarHBondContact O-N 2.97Å; A450-T454 WeakPolarHBondContact O-CB 3.49Å; A450-T454 PolarHBondContact O-N 2.81Å; A450-T454 PolarHBondContact O-OG1 3.09Å
451	I	96.5	Very high	94	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-66.6	-49.1	177.5	-64	163.7	0	0	0	110.3	T169 L192 I195 V196 I199 L312 L316 M447 K449 V453 T454 L455	T169-I451 HydrophobicContact CG2-CG2 4.26Å; L192-I451 HydrophobicContact CD2-CG2 4.27Å; I195-I451 HydrophobicContact CG2-CD1 4.21Å; I195-I451 HydrophobicContact CG2-CG1 4.26Å; V196-I451 HydrophobicContact CG1-CD1 4Å; I199-I451 HydrophobicContact CD1-CD1 3.95Å; I199-I451 HydrophobicContact CD1-CG1 4.23Å; L312-I451 HydrophobicContact CD2-CD1 3.92Å; L316-I451 HydrophobicContact CD1-CB 4.09Å; L316-I451 HydrophobicContact CD1-CD1 3.74Å; L316-I451 HydrophobicContact CD1-CG2 3.74Å; M447-I451 HydrophobicContact CB-CD1 4.46Å; M447-I451 WeakPolarHBondContact O-CB 3.14Å; M447-I451 WeakPolarHBondContact O-CD1 3.32Å; M447-I451 VanDerWaalsContact O-CG1 3.22Å; M447-I451 WeakPolarHBondContact O-CG1 3.35Å; M447-I451 PolarHBondContact O-N 3.4Å; K449-I451 PolarHBondContact O-N 3.39Å; I451-V453 PolarHBondContact O-N 2.97Å; I451-T454 PolarHBondContact O-N 2.8Å; I451-L455 VanDerWaalsContact O-CB 3.3Å; I451-L455 WeakPolarHBondContact O-CB 3.42Å; I451-L455 PolarHBondContact O-N 3.28Å
452	L	96.8	Very high	93.9	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-44.7	179.1	-73.1	170.6	0	0	0	112	L316 M319 L320 L357 F360 I361 M448 K449 T454 L455 L456	L316-L452 HydrophobicContact CD2-CD1 4.08Å; L316-L452 HydrophobicContact CD2-CD2 3.88Å; L316-L452 HydrophobicContact CD2-CG 3.65Å; M319-L452 HydrophobicContact SD-CD1 4Å; L320-L452 HydrophobicContact CD2-CD2 4.15Å; L357-L452 HydrophobicContact CD1-CB 4.18Å; L357-L452 HydrophobicContact CD1-CD1 3.9Å; F360-L452 HydrophobicContact CD1-CD1 4.47Å; F360-L452 HydrophobicContact CE1-CD1 4.13Å; I361-L452 HydrophobicContact CD1-CD1 4.13Å; I361-L452 HydrophobicContact CG1-CD1 3.91Å; M448-L452 VanDerWaalsContact O-CB 3.26Å; M448-L452 WeakPolarHBondContact O-CB 3.17Å; M448-L452 WeakPolarHBondContact O-CD1 3.36Å; M448-L452 WeakPolarHBondContact O-CG 3.44Å; M448-L452 PolarHBondContact O-N 3.09Å; K449-L452 PolarHBondContact O-N 2.89Å; L452-T454 PolarHBondContact O-N 2.97Å; L452-L455 PolarHBondContact O-N 3.45Å; L452-L456 HydrophobicContact CB-CD1 4.44Å; L452-L456 WeakPolarHBondContact O-CB 3.18Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 2.82Å
453	V	93.8	Very high	93.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-48	176.7	169.2	0	0	0	0	110.7	M337 V346 I349 L354 L357 K449 I451 L455 S457	M337-V453 HydrophobicContact CE-CB 4.43Å; M337-V453 HydrophobicContact CE-CG1 4.11Å; M337-V453 WeakPolarHBondContact CE-O 3.37Å; M337-V453 HydrophobicContact CG-CG2 4.31Å; M337-V453 HydrophobicContact SD-CG2 4.33Å; V346-V453 HydrophobicContact CG1-CG1 3.82Å; I349-V453 HydrophobicContact CD1-CG1 3.56Å; L354-V453 HydrophobicContact CD1-CG2 3.67Å; L357-V453 HydrophobicContact CD2-CG2 3.59Å; K449-V453 WeakPolarHBondContact O-CB 3.12Å; K449-V453 WeakPolarHBondContact O-CG2 3.45Å; K449-V453 PolarHBondContact O-N 3.35Å; I451-V453 PolarHBondContact O-N 2.97Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.45Å; V453-S457 VanDerWaalsContact O-CB 3.25Å; V453-S457 WeakPolarHBondContact O-CB 3.34Å; V453-S457 PolarHBondContact O-N 3.47Å; V453-S457 PolarHBondContact O-OG 3.24Å
454	T	93.8	Very high	93.4	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-177.5	-53.7	0	0	0	0	111.4	T169 A170 L173 A450 I451 L452	T169-T454 HydrophobicContact CG2-CG2 3.75Å; A170-T454 HydrophobicContact CB-CG2 4.43Å; L173-T454 HydrophobicContact CD1-CG2 4.46Å; A450-T454 WeakPolarHBondContact O-CB 3.49Å; A450-T454 PolarHBondContact O-N 2.81Å; A450-T454 PolarHBondContact O-OG1 3.09Å; I451-T454 PolarHBondContact O-N 2.8Å; L452-T454 PolarHBondContact O-N 2.97Å
455	L	95.8	Very high	92.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-53.4	178	-173.6	159	0	0	0	111.6	L173 L320 I451 L452 V453 S457 R458 Y459 V461 F493	L173-L455 HydrophobicContact CD1-CB 4.48Å; L320-L455 HydrophobicContact CD1-CD1 4.13Å; L320-L455 HydrophobicContact CD2-CD1 4.19Å; L320-L455 HydrophobicContact CD2-CD2 4.01Å; I451-L455 VanDerWaalsContact O-CB 3.3Å; I451-L455 WeakPolarHBondContact O-CB 3.42Å; I451-L455 PolarHBondContact O-N 3.28Å; L452-L455 PolarHBondContact O-N 3.45Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.45Å; L455-S457 PolarHBondContact O-N 2.87Å; L455-R458 PolarHBondContact O-N 3.05Å; L455-Y459 PolarHBondContact O-N 3.28Å; L455-V461 HydrophobicContact CD2-CG1 3.83Å; L455-F493 HydrophobicContact CD1-CE2 3.86Å; L455-F493 HydrophobicContact CD1-CZ 4.28Å; L455-F493 HydrophobicContact CD2-CE2 4.48Å; L455-F493 HydrophobicContact CG-CE2 4.12Å
456	L	94.5	Very high	92.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-18	-176.2	-63.3	175.1	0	0	0	113.1	L323 I333 M337 L452 R458 Y459 R496	L323-L456 HydrophobicContact CD1-CD1 3.81Å; L323-L456 HydrophobicContact CD1-CD2 3.86Å; L323-L456 HydrophobicContact CD1-CG 4.41Å; I333-L456 HydrophobicContact CG2-CD1 4.01Å; M337-L456 HydrophobicContact CE-CB 3.99Å; M337-L456 HydrophobicContact SD-CB 4.12Å; L452-L456 HydrophobicContact CB-CD1 4.44Å; L452-L456 WeakPolarHBondContact O-CB 3.18Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 2.82Å; L456-R458 VanDerWaalsContact C-N 3.26Å; L456-Y459 WeakPolarHBondContact CA-O 3.26Å; L456-R496 WeakPolarHBondContact O-CD 3.49Å; L456-R496 PolarHBondContact O-NE 2.8Å
457	S	91.5	Very high	92	Very high	42 Å²	42	30.3 Å²	30.3	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.5	171.5	-62.3	0	0	0	0	112.3	M337 V453 L455	M337-S457 WeakPolarHBondContact CE-OG 3.27Å; V453-S457 VanDerWaalsContact O-CB 3.25Å; V453-S457 WeakPolarHBondContact O-CB 3.34Å; V453-S457 PolarHBondContact O-N 3.47Å; V453-S457 PolarHBondContact O-OG 3.24Å; L455-S457 PolarHBondContact O-N 2.87Å
458	R	92.3	Very high	91.7	Very high	89 Å²	89	32.1 Å²	32.1	34%	0.336	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-34.1	-174.8	-65.8	-179.8	175.7	-160.9	-3.1	112.6	D174 L455 L456 P495 R496	D174-R458 IonicContact OD1-CZ 3.9Å; D174-R458 IonicContact OD1-NH1 3.33Å; D174-R458 PolarHBondContact OD1-NH1 3.2Å; D174-R458 IonicContact OD1-NH2 3.18Å; L455-R458 PolarHBondContact O-N 3.05Å; L456-R458 VanDerWaalsContact C-N 3.26Å; R458-P495 WeakPolarHBondContact O-CA 3.28Å; R458-R496 PolarHBondContact O-N 2.94Å
459	Y	94.6	Very high	91.4	Very high	41 Å²	41	32.1 Å²	32.1	16%	0.161	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	-170.4	-61	-80.6	0	0	0	112.2	L173 L176 L455 L456 F493 I494 P495 R496	L173-Y459 HydrophobicContact CB-CE2 4.32Å; L173-Y459 HydrophobicContact CD1-CE2 4.45Å; L173-Y459 HydrophobicContact CD2-CD2 4.23Å; L173-Y459 HydrophobicContact CD2-CE2 4.1Å; L176-Y459 HydrophobicContact CD2-CE1 4.34Å; L455-Y459 PolarHBondContact O-N 3.28Å; L456-Y459 WeakPolarHBondContact CA-O 3.26Å; Y459-F493 HydrophobicContact CD1-CB 3.81Å; Y459-F493 HydrophobicContact CD2-CD2 4.17Å; Y459-F493 HydrophobicContact CE1-CB 4.31Å; Y459-F493 HydrophobicContact CG-CB 4.09Å; Y459-F493 HydrophobicContact CG-CD2 4.07Å; Y459-I494 CarbonylContact C-O 3.55Å; Y459-I494 VanDerWaalsContact CA-O 3.28Å; Y459-I494 WeakPolarHBondContact CA-O 3.27Å; Y459-P495 HydrophobicContact CD1-CB 4.5Å; Y459-P495 HydrophobicContact CD1-CG 4.32Å; Y459-P495 HydrophobicContact CE1-CB 4.39Å; Y459-P495 HydrophobicContact CE1-CG 3.99Å; Y459-R496 PolarHBondContact O-NE 3.05Å; Y459-R496 VanDerWaalsContact O-NE 3.07Å
460	T	93.6	Very high	91	Very high	31 Å²	31	38.3 Å²	38.3	19%	0.19	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144	152.1	-176.7	0	0	0	0	108.1	E330 I494	E330-T460 WeakPolarHBondContact OE1-CB 3.28Å; E330-T460 PolarHBondContact OE1-OG1 3.08Å; E330-T460 PolarHBondContact OE2-OG1 3.5Å; T460-I494 HydrophobicContact CG2-CB 3.78Å; T460-I494 HydrophobicContact CG2-CG2 4.31Å; T460-I494 PolarHBondContact N-O 3Å; T460-I494 PolarHBondContact O-N 3.46Å
461	V	92.7	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.2	-174.3	-67.5	0	0	0	0	110.9	L320 L455 R492 F493	L320-V461 HydrophobicContact CB-CG2 4.06Å; L320-V461 HydrophobicContact CD2-CG1 4.31Å; L320-V461 HydrophobicContact CD2-CG2 3.94Å; L320-V461 HydrophobicContact CG-CG2 4.46Å; L455-V461 HydrophobicContact CD2-CG1 3.83Å; V461-R492 WeakPolarHBondContact CA-O 3.42Å; V461-F493 HydrophobicContact CG1-CD1 4.21Å; V461-F493 HydrophobicContact CG1-CD2 4.28Å; V461-F493 HydrophobicContact CG1-CE1 4.07Å; V461-F493 HydrophobicContact CG1-CE2 4.16Å; V461-F493 HydrophobicContact CG1-CG 4.3Å; V461-F493 HydrophobicContact CG1-CZ 4.04Å
462	C	91.4	Very high	90.5	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.128	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	108.2	178.6	-73.7	0	0	0	0	109.3	K324 M491 R492 I494	K324-C462 PolarHBondContact NZ-SG 3.24Å; C462-M491 CarbonylContact O-C 3.59Å; C462-R492 HydrophobicContact CB-CB 4.44Å; C462-R492 PolarHBondContact N-O 2.99Å; C462-R492 PolarHBondContact O-N 3.48Å; C462-I494 HydrophobicContact CB-CD1 4.33Å
463	P	88.8	Confident	90.2	Very high	18 Å²	18	50.1 Å²	50.1	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	164	167.5	-19.2	34.2	0	0	0	111.3	M321 K324 C467 M491	M321-P463 HydrophobicContact CE-CB 4.18Å; M321-P463 HydrophobicContact CE-CG 4.12Å; M321-P463 HydrophobicContact SD-CB 3.69Å; M321-P463 HydrophobicContact SD-CG 3.32Å; M321-P463 WeakPolarHBondContact SD-CG 3.32Å; K324-P463 HydrophobicContact CB-CG 4.32Å; K324-P463 HydrophobicContact CG-CG 4.49Å; P463-C467 HydrophobicContact CB-CB 4.1Å; P463-M491 HydrophobicContact CB-CG 4.41Å; P463-M491 HydrophobicContact CG-CE 4.32Å; P463-M491 HydrophobicContact CG-CG 4.37Å
464	R	85.1	Confident	90.1	Very high	66 Å²	66	52.9 Å²	52.9	25%	0.249	28%	0.277	C	S	.	.	S	Bend	trans	-53.3	149.3	173	-73.8	-174.6	-175.3	-87	-3.6	111.1	D181 H185 G466 C467 H487	D181-R464 IonicContact OD2-NH2 2.68Å; D181-R464 PolarHBondContact OD2-NH2 3.39Å; H185-R464 PolarHBondContact CE1-NH1 3.3Å; R464-G466 PolarHBondContact O-N 2.84Å; R464-C467 HydrophobicContact CB-CB 4.48Å; R464-C467 VanDerWaalsContact O-CB 3.26Å; R464-C467 WeakPolarHBondContact O-CB 3.26Å; R464-C467 PolarHBondContact O-N 2.63Å; R464-H487 WeakPolarHBondContact CD-O 3.4Å; R464-H487 PolarHBondContact NE-O 3.06Å
465	Q	82.8	Confident	90.1	Very high	203 Å²	203	55.3 Å²	55.3	95%	0.949	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	129.1	-178.4	-172.8	174.2	6.1	0	0	110.8	C467	Q465-C467 VanDerWaalsContact C-N 3.28Å; Q465-C467 PolarHBondContact O-N 2.9Å
466	G	81.1	Confident	90	Very high	63 Å²	63	56.2 Å²	56.2	65%	0.649	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-9.4	-176.9	0	0	0	0	0	114.9	R464 T468 S471	R464-G466 PolarHBondContact O-N 2.84Å; G466-T468 PolarHBondContact O-N 2.78Å; G466-S471 PolarHBondContact O-OG 2.87Å
467	C	86	Confident	90.1	Very high	32 Å²	32	57.8 Å²	57.8	22%	0.216	31%	0.305	C	S	.	.			trans	-79.3	115.7	173.7	-66.1	0	0	0	0	110.7	M321 P463 R464 Q465 S471	M321-C467 HydrophobicContact CE-CB 4.38Å; P463-C467 HydrophobicContact CB-CB 4.1Å; R464-C467 HydrophobicContact CB-CB 4.48Å; R464-C467 VanDerWaalsContact O-CB 3.26Å; R464-C467 WeakPolarHBondContact O-CB 3.26Å; R464-C467 PolarHBondContact O-N 2.63Å; Q465-C467 VanDerWaalsContact C-N 3.28Å; Q465-C467 PolarHBondContact O-N 2.9Å; C467-S471 WeakPolarHBondContact CA-OG 3.41Å
468	T	89.9	Confident	90.2	Very high	47 Å²	47	56.6 Å²	56.6	29%	0.288	30%	0.296	S	S	.	.			trans	-127.8	166.8	174.8	60	0	0	0	0	109	M321 G466 D470 S471 I472	M321-T468 VanDerWaalsContact CE-C 3.45Å; G466-T468 PolarHBondContact O-N 2.78Å; T468-D470 PolarHBondContact O-N 2.82Å; T468-S471 PolarHBondContact N-OG 2.95Å; T468-S471 PolarHBondContact O-N 3.42Å; T468-S471 VanDerWaalsContact O-N 3.16Å; T468-S471 PolarHBondContact O-OG 3.38Å; T468-S471 VanDerWaalsContact O-OG 3.1Å; T468-S471 WeakPolarHBondContact OG1-CB 3.19Å; T468-S471 PolarHBondContact OG1-N 3.41Å; T468-S471 PolarHBondContact OG1-OG 3.34Å; T468-I472 PolarHBondContact O-N 3.05Å; T468-I472 VanDerWaalsContact O-N 3.12Å
469	L	89.5	Confident	90.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.6	172.6	-80.5	-174.3	0	0	0	113.2	F318 M321 L322 Q325 H368 I472 Q474	F318-L469 HydrophobicContact CB-CD2 4.16Å; F318-L469 HydrophobicContact CD1-CD2 3.46Å; F318-L469 VanDerWaalsContact CD1-CD2 3.46Å; F318-L469 HydrophobicContact CE1-CD2 4.16Å; F318-L469 HydrophobicContact CG-CD2 4.1Å; M321-L469 HydrophobicContact CB-CD2 3.72Å; M321-L469 HydrophobicContact CB-CG 3.92Å; M321-L469 HydrophobicContact CG-CD2 4.13Å; L322-L469 HydrophobicContact CD1-CD1 4.08Å; L322-L469 HydrophobicContact CD2-CD1 3.45Å; L322-L469 VanDerWaalsContact CD2-CD1 3.45Å; L322-L469 HydrophobicContact CG-CD1 3.5Å; L322-L469 HydrophobicContact CG-CG 4.47Å; Q325-L469 VanDerWaalsContact OE1-N 3.08Å; H368-L469 HydrophobicContact CB-CD1 4.17Å; L469-I472 HydrophobicContact CD2-CD1 4.11Å; L469-I472 VanDerWaalsContact O-CG1 3.25Å; L469-I472 WeakPolarHBondContact O-CG1 3.24Å; L469-Q474 PolarHBondContact O-NE2 2.98Å
470	D	87.7	Confident	90.4	Very high	140 Å²	140	52 Å²	52	75%	0.749	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.7	-178.3	-61.4	-38.9	0	0	0	112.8	T468	T468-D470 PolarHBondContact O-N 2.82Å
471	S	89.1	Confident	90.4	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-24.9	-178.7	72.3	0	0	0	0	113.5	G466 C467 T468	G466-S471 PolarHBondContact O-OG 2.87Å; C467-S471 WeakPolarHBondContact CA-OG 3.41Å; T468-S471 PolarHBondContact N-OG 2.95Å; T468-S471 PolarHBondContact O-N 3.42Å; T468-S471 VanDerWaalsContact O-N 3.16Å; T468-S471 PolarHBondContact O-OG 3.38Å; T468-S471 VanDerWaalsContact O-OG 3.1Å; T468-S471 WeakPolarHBondContact OG1-CB 3.19Å; T468-S471 PolarHBondContact OG1-N 3.41Å; T468-S471 PolarHBondContact OG1-OG 3.34Å
472	I	90	Very high	90.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.067	27%	0.273	C	S	.	.	S	Bend	trans	-67.9	137.2	176	58.4	171.3	0	0	0	109.4	F317 F318 M321 T468 L469 Q474 P482	F317-I472 HydrophobicContact CE1-CD1 4.08Å; F318-I472 HydrophobicContact CD1-CD1 4.32Å; F318-I472 HydrophobicContact CE1-CD1 3.83Å; M321-I472 HydrophobicContact CE-CG2 4.18Å; T468-I472 PolarHBondContact O-N 3.05Å; T468-I472 VanDerWaalsContact O-N 3.12Å; L469-I472 HydrophobicContact CD2-CD1 4.11Å; L469-I472 VanDerWaalsContact O-CG1 3.25Å; L469-I472 WeakPolarHBondContact O-CG1 3.24Å; I472-Q474 HydrophobicContact CD1-CG 4.36Å; I472-Q474 HydrophobicContact CG1-CG 4.06Å; I472-Q474 WeakPolarHBondContact O-CG 3.5Å; I472-P482 HydrophobicContact CD1-CB 4.42Å
473	R	90.8	Very high	90.3	Very high	175 Å²	175	51.8 Å²	51.8	66%	0.66	28%	0.278	S	S	*	.			trans	-68.7	137.8	173	-70.9	-177.5	63.9	-167.5	-3.1	108.7	V483	R473-V483 HydrophobicContact CB-CB 3.87Å; R473-V483 HydrophobicContact CB-CG2 3.92Å; R473-V483 PolarHBondContact O-N 3.43Å
474	Q	91.4	Very high	90	Very high	57 Å²	57	54.2 Å²	54.2	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.5	-179.3	-51.3	-170.3	21.8	0	0	110.8	H368 L469 I472 Q481	H368-Q474 PolarHBondContact CE1-NE2 3.32Å; H368-Q474 PolarHBondContact CE1-OE1 3.36Å; H368-Q474 PolarHBondContact NE2-NE2 3.45Å; H368-Q474 PolarHBondContact NE2-OE1 3.49Å; L469-Q474 PolarHBondContact O-NE2 2.98Å; I472-Q474 HydrophobicContact CD1-CG 4.36Å; I472-Q474 HydrophobicContact CG1-CG 4.06Å; I472-Q474 WeakPolarHBondContact O-CG 3.5Å; Q474-Q481 CarbonylContact C-O 3.57Å; Q474-Q481 WeakPolarHBondContact CA-O 3.34Å; Q474-Q481 WeakPolarHBondContact CB-O 3.35Å
475	T	93	Very high	89.4	Confident	56 Å²	56	54.5 Å²	54.5	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.5	164.7	60.3	0	0	0	0	108.5	Q480 Q481 V483	T475-Q480 CarbonylContact O-C 3.53Å; T475-Q480 VanDerWaalsContact O-CA 3.29Å; T475-Q480 WeakPolarHBondContact O-CA 3.33Å; T475-Q481 PolarHBondContact N-O 3.44Å; T475-Q481 PolarHBondContact O-N 2.82Å; T475-V483 HydrophobicContact CG2-CG2 3.77Å
476	N	94.9	Very high	88.1	Confident	22 Å²	22	53.6 Å²	53.6	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	76.4	169.7	-175.5	8.1	0	0	0	108.6	G72 T73 D372	G72-N476 WeakPolarHBondContact CA-OD1 3.39Å; G72-N476 PolarHBondContact N-O 3.11Å; T73-N476 PolarHBondContact N-O 3.12Å; T73-N476 PolarHBondContact OG1-O 3.04Å; D372-N476 PolarHBondContact OD1-OD1 2.84Å; D372-N476 PolarHBondContact OD2-ND2 2.88Å; D372-N476 PolarHBondContact OD2-OD1 2.76Å
477	D	95.3	Very high	87	Confident	33 Å²	33	56.5 Å²	56.5	18%	0.176	29%	0.286	C	S	.	.	S	Bend	trans	-104	-96.9	175.7	-173.9	13.3	0	0	0	110.9	G70 I71 G72 Q226 F373 S479	G70-D477 VanDerWaalsContact CA-CG 3.48Å; G70-D477 WeakPolarHBondContact CA-OD1 3.42Å; I71-D477 WeakPolarHBondContact CB-O 3.28Å; I71-D477 WeakPolarHBondContact CG1-OD1 3.37Å; I71-D477 PolarHBondContact N-OD1 3.33Å; G72-D477 PolarHBondContact N-O 2.95Å; Q226-D477 HydrophobicContact CG-CB 4.05Å; Q226-D477 WeakPolarHBondContact CG-OD2 3.35Å; F373-D477 WeakPolarHBondContact CE1-O 3.49Å; F373-D477 WeakPolarHBondContact CZ-O 3.19Å; D477-S479 VanDerWaalsContact C-N 3.33Å; D477-S479 PolarHBondContact N-O 3.4Å
478	L	94.9	Very high	85.9	Confident	18 Å²	18	56 Å²	56	9%	0.094	28%	0.284	C	S	.	.	S	Bend	trans	-75.3	-28.5	176.1	-177	57.2	0	0	0	112.1	F222 W225 Q226 L229 F373	F222-L478 HydrophobicContact CE2-CD2 4.32Å; F222-L478 HydrophobicContact CZ-CB 4.38Å; F222-L478 HydrophobicContact CZ-CD2 4.08Å; F222-L478 HydrophobicContact CZ-CG 4.35Å; W225-L478 HydrophobicContact CD2-CD2 3.61Å; W225-L478 HydrophobicContact CE3-CD2 3.85Å; W225-L478 HydrophobicContact CG-CD2 4.13Å; W225-L478 HydrophobicContact CH2-CD2 4.24Å; W225-L478 HydrophobicContact CZ2-CD2 4.04Å; W225-L478 HydrophobicContact CZ3-CD2 4.14Å; Q226-L478 HydrophobicContact CB-CB 3.95Å; Q226-L478 HydrophobicContact CB-CD2 4.22Å; Q226-L478 HydrophobicContact CG-CB 3.78Å; L229-L478 HydrophobicContact CD2-CD1 3.5Å; L229-L478 HydrophobicContact CD2-CD2 4.4Å; F373-L478 HydrophobicContact CZ-CD1 4.32Å; F373-L478 WeakPolarHBondContact CZ-O 3.32Å
479	S	94.9	Very high	85.6	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.035	27%	0.273	C	S	.	.	S	Bend	trans	-150.4	161.2	174.1	54.4	0	0	0	0	108.9	F222 V370 D477 Q481	F222-S479 WeakPolarHBondContact CZ-OG 3.31Å; V370-S479 CarbonylContact O-C 3.53Å; V370-S479 WeakPolarHBondContact O-CA 3.31Å; V370-S479 WeakPolarHBondContact O-CB 3.49Å; D477-S479 VanDerWaalsContact C-N 3.33Å; D477-S479 PolarHBondContact N-O 3.4Å; S479-Q481 WeakPolarHBondContact OG-CG 3.48Å; S479-Q481 PolarHBondContact OG-NE2 3.33Å
480	Q	94.9	Very high	85.5	Confident	27 Å²	27	54.8 Å²	54.8	13%	0.126	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.5	170.9	-172.8	171.6	-15.2	0	0	110.1	H368 P369 V370 T475	H368-Q480 PolarHBondContact CE1-NE2 3.43Å; H368-Q480 PolarHBondContact NE2-NE2 2.77Å; P369-Q480 VanDerWaalsContact O-CB 3.31Å; P369-Q480 WeakPolarHBondContact O-CB 3.31Å; P369-Q480 PolarHBondContact O-OE1 2.78Å; V370-Q480 PolarHBondContact O-N 2.84Å; T475-Q480 CarbonylContact O-C 3.53Å; T475-Q480 VanDerWaalsContact O-CA 3.29Å; T475-Q480 WeakPolarHBondContact O-CA 3.33Å
481	Q	93.4	Very high	85.7	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.8	-176.7	-57.4	-163	15.5	0	0	111.8	I314 Q474 T475 S479	I314-Q481 HydrophobicContact CD1-CB 4.12Å; I314-Q481 HydrophobicContact CD1-CG 3.56Å; Q474-Q481 CarbonylContact C-O 3.57Å; Q474-Q481 WeakPolarHBondContact CA-O 3.34Å; Q474-Q481 WeakPolarHBondContact CB-O 3.35Å; T475-Q481 PolarHBondContact N-O 3.44Å; T475-Q481 PolarHBondContact O-N 2.82Å; S479-Q481 WeakPolarHBondContact OG-CG 3.48Å; S479-Q481 PolarHBondContact OG-NE2 3.33Å
482	P	92.8	Very high	85.9	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.032	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.7	166.2	29.9	-33.4	0	0	0	110.1	L189 F317 F318 I472 E484 L489	L189-P482 HydrophobicContact CD2-CG 4.09Å; F317-P482 HydrophobicContact CD1-CG 4.33Å; F317-P482 HydrophobicContact CE1-CB 4.32Å; F317-P482 HydrophobicContact CE1-CG 4.25Å; F318-P482 HydrophobicContact CE1-CB 4.49Å; F318-P482 HydrophobicContact CE1-CG 4.47Å; I472-P482 HydrophobicContact CD1-CB 4.42Å; P482-E484 PolarHBondContact O-N 2.86Å; P482-L489 HydrophobicContact CB-CD1 3.94Å; P482-L489 HydrophobicContact CB-CD2 3.66Å; P482-L489 HydrophobicContact CB-CG 4.49Å; P482-L489 HydrophobicContact CG-CD1 4Å; P482-L489 HydrophobicContact CG-CD2 4.41Å
483	V	89.4	Confident	86.2	Confident	37 Å²	37	51.6 Å²	51.6	22%	0.224	24%	0.244	C	C	.	.			trans	-73.3	116.3	165.7	175.8	0	0	0	0	107	R473 T475 D485	R473-V483 HydrophobicContact CB-CB 3.87Å; R473-V483 HydrophobicContact CB-CG2 3.92Å; R473-V483 PolarHBondContact O-N 3.43Å; T475-V483 HydrophobicContact CG2-CG2 3.77Å; V483-D485 PolarHBondContact O-N 2.81Å; V483-D485 VanDerWaalsContact O-N 3.1Å
484	E	83.7	Confident	86.3	Confident	70 Å²	70	46.7 Å²	46.7	33%	0.327	23%	0.231	S	C	.	.			trans	-75.2	98.5	178.6	-62.3	-177	-131.9	0	0	109.9	L189 R193 H219 P482 L489	L189-E484 HydrophobicContact CD2-CG 4.07Å; R193-E484 IonicContact CZ-OE1 2.71Å; R193-E484 IonicContact CZ-OE2 3.19Å; R193-E484 IonicContact NH1-OE1 3.9Å; R193-E484 PolarHBondContact NH1-OE1 2.82Å; R193-E484 IonicContact NH1-OE2 3.69Å; R193-E484 PolarHBondContact NH1-OE2 2.96Å; R193-E484 IonicContact NH2-OE1 3.26Å; R193-E484 PolarHBondContact NH2-OE1 3.44Å; H219-E484 IonicContact CE1-OE1 3.92Å; H219-E484 PolarHBondContact CE1-OE1 3.28Å; H219-E484 IonicContact ND1-OE1 2.67Å; H219-E484 PolarHBondContact ND1-OE1 2.86Å; P482-E484 PolarHBondContact O-N 2.86Å; E484-L489 HydrophobicContact CB-CD1 4.3Å; E484-L489 HydrophobicContact CG-CD1 3.8Å
485	D	72	Confident	86.4	Confident	71 Å²	71	48.4 Å²	48.4	38%	0.38	25%	0.247	S	C	.	.			trans	-107.7	155.2	161.8	68	47.8	0	0	0	110.1	V483 H487 S488	V483-D485 PolarHBondContact O-N 2.81Å; V483-D485 VanDerWaalsContact O-N 3.1Å; D485-H487 PolarHBondContact O-N 3.43Å; D485-H487 PolarHBondContact OD1-N 2.96Å; D485-S488 WeakPolarHBondContact OD1-CA 3.42Å; D485-S488 WeakPolarHBondContact OD1-CB 3.45Å; D485-S488 PolarHBondContact OD1-N 3.4Å; D485-S488 PolarHBondContact OD1-OG 2.9Å; D485-S488 PolarHBondContact OD2-OG 3Å
486	E	55.8	Low	86.2	Confident	184 Å²	184	49.3 Å²	49.3	86%	0.86	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-12.8	-170.7	-106.6	178.9	162.1	0	0	115
487	H	58.3	Low	85.1	Confident	124 Å²	124	54.6 Å²	54.6	57%	0.574	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-20	-169.5	-62.1	-33.5	0	0	0	115.7	R464 D485	R464-H487 WeakPolarHBondContact CD-O 3.4Å; R464-H487 PolarHBondContact NE-O 3.06Å; D485-H487 PolarHBondContact O-N 3.43Å; D485-H487 PolarHBondContact OD1-N 2.96Å
488	S	62.6	Low	83.1	Confident	23 Å²	23	59.1 Å²	59.1	16%	0.161	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.7	-169.7	60.4	0	0	0	0	115.4	D485	D485-S488 WeakPolarHBondContact OD1-CA 3.42Å; D485-S488 WeakPolarHBondContact OD1-CB 3.45Å; D485-S488 PolarHBondContact OD1-N 3.4Å; D485-S488 PolarHBondContact OD1-OG 2.9Å; D485-S488 PolarHBondContact OD2-OG 3Å
489	L	82.4	Confident	80.4	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.058	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.4	-171.4	-50.6	-175	0	0	0	114.1	L189 F317 P482 E484	L189-L489 HydrophobicContact CD2-CD1 3.87Å; F317-L489 HydrophobicContact CE1-CD2 4.13Å; F317-L489 HydrophobicContact CE2-CB 4.05Å; F317-L489 WeakPolarHBondContact CE2-O 3.4Å; F317-L489 HydrophobicContact CZ-CB 4.01Å; F317-L489 HydrophobicContact CZ-CD2 3.69Å; F317-L489 HydrophobicContact CZ-CG 4.35Å; P482-L489 HydrophobicContact CB-CD1 3.94Å; P482-L489 HydrophobicContact CB-CD2 3.66Å; P482-L489 HydrophobicContact CB-CG 4.49Å; P482-L489 HydrophobicContact CG-CD1 4Å; P482-L489 HydrophobicContact CG-CD2 4.41Å; E484-L489 HydrophobicContact CB-CD1 4.3Å; E484-L489 HydrophobicContact CG-CD1 3.8Å
490	A	87.9	Confident	77.5	Confident	13 Å²	13	71.4 Å²	71.4	11%	0.107	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.6	-177	0	0	0	0	0	112.3	H185 V186	H185-A490 HydrophobicContact CB-CB 3.73Å; V186-A490 CarbonylContact O-C 3.56Å; V186-A490 VanDerWaalsContact O-CA 3.28Å; V186-A490 WeakPolarHBondContact O-CA 3.43Å
491	M	92.7	Very high	74.7	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.7	-179.2	-60.6	178	176.8	0	0	111.2	V186 A188 F317 L320 M321 C462 P463 F493	V186-M491 WeakPolarHBondContact CB-O 3.46Å; V186-M491 PolarHBondContact N-O 2.89Å; V186-M491 PolarHBondContact O-N 3.33Å; A188-M491 HydrophobicContact CB-CB 4.14Å; A188-M491 HydrophobicContact CB-CE 4.45Å; A188-M491 HydrophobicContact CB-CG 3.87Å; A188-M491 HydrophobicContact CB-SD 3.64Å; F317-M491 HydrophobicContact CD2-CE 3.67Å; F317-M491 HydrophobicContact CE2-CE 3.42Å; F317-M491 VanDerWaalsContact CE2-CE 3.42Å; F317-M491 HydrophobicContact CZ-CE 4.09Å; L320-M491 HydrophobicContact CB-CE 3.87Å; L320-M491 HydrophobicContact CB-SD 3.95Å; L320-M491 HydrophobicContact CD1-SD 4.11Å; M321-M491 HydrophobicContact CG-CE 3.69Å; M321-M491 HydrophobicContact SD-CE 3.49Å; M321-M491 WeakPolarHBondContact SD-CE 3.46Å; C462-M491 CarbonylContact O-C 3.59Å; P463-M491 HydrophobicContact CB-CG 4.41Å; P463-M491 HydrophobicContact CG-CE 4.32Å; P463-M491 HydrophobicContact CG-CG 4.37Å; M491-F493 HydrophobicContact CB-CD1 4.34Å; M491-F493 HydrophobicContact CB-CE1 4.04Å
492	R	93.3	Very high	71.9	Confident	129 Å²	129	86.1 Å²	86.1	49%	0.487	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.4	166.9	-66.4	-173	64.3	154.5	0.5	110	V461 C462	V461-R492 WeakPolarHBondContact CA-O 3.42Å; C462-R492 HydrophobicContact CB-CB 4.44Å; C462-R492 PolarHBondContact N-O 2.99Å; C462-R492 PolarHBondContact O-N 3.48Å
493	F	95.1	Very high	69	Low	19 Å²	19	91.3 Å²	91.3	8%	0.083	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.9	174.4	-79	52.6	0	0	0	107.4	L173 L176 V186 A188 L191 L455 Y459 V461 M491	L173-F493 HydrophobicContact CD2-CD2 4.35Å; L173-F493 HydrophobicContact CD2-CE2 4.14Å; L176-F493 HydrophobicContact CD1-CD2 4.46Å; L176-F493 HydrophobicContact CD2-CB 3.92Å; L176-F493 HydrophobicContact CD2-CD2 4.25Å; L176-F493 HydrophobicContact CD2-CG 4.24Å; V186-F493 HydrophobicContact CB-CD1 3.8Å; V186-F493 HydrophobicContact CB-CE1 3.9Å; V186-F493 HydrophobicContact CG1-CD1 4.31Å; V186-F493 HydrophobicContact CG1-CE1 4.07Å; V186-F493 HydrophobicContact CG1-CZ 4.5Å; V186-F493 HydrophobicContact CG2-CB 4.26Å; V186-F493 HydrophobicContact CG2-CD1 3.63Å; V186-F493 HydrophobicContact CG2-CE1 4.21Å; V186-F493 HydrophobicContact CG2-CG 4.05Å; A188-F493 HydrophobicContact CB-CE1 4.18Å; A188-F493 HydrophobicContact CB-CZ 4.48Å; L191-F493 HydrophobicContact CD2-CE2 3.97Å; L191-F493 HydrophobicContact CD2-CZ 3.9Å; L455-F493 HydrophobicContact CD1-CE2 3.86Å; L455-F493 HydrophobicContact CD1-CZ 4.28Å; L455-F493 HydrophobicContact CD2-CE2 4.48Å; L455-F493 HydrophobicContact CG-CE2 4.12Å; Y459-F493 HydrophobicContact CD1-CB 3.81Å; Y459-F493 HydrophobicContact CD2-CD2 4.17Å; Y459-F493 HydrophobicContact CE1-CB 4.31Å; Y459-F493 HydrophobicContact CG-CB 4.09Å; Y459-F493 HydrophobicContact CG-CD2 4.07Å; V461-F493 HydrophobicContact CG1-CD1 4.21Å; V461-F493 HydrophobicContact CG1-CD2 4.28Å; V461-F493 HydrophobicContact CG1-CE1 4.07Å; V461-F493 HydrophobicContact CG1-CE2 4.16Å; V461-F493 HydrophobicContact CG1-CG 4.3Å; V461-F493 HydrophobicContact CG1-CZ 4.04Å; M491-F493 HydrophobicContact CB-CD1 4.34Å; M491-F493 HydrophobicContact CB-CE1 4.04Å
494	I	93.5	Very high	66.2	Low	73 Å²	73	100.5 Å²	100.5	37%	0.374	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.9	-175.6	-55.5	172.6	0	0	0	107.6	Y459 T460 C462 R496	Y459-I494 CarbonylContact C-O 3.55Å; Y459-I494 VanDerWaalsContact CA-O 3.28Å; Y459-I494 WeakPolarHBondContact CA-O 3.27Å; T460-I494 HydrophobicContact CG2-CB 3.78Å; T460-I494 HydrophobicContact CG2-CG2 4.31Å; T460-I494 PolarHBondContact N-O 3Å; T460-I494 PolarHBondContact O-N 3.46Å; C462-I494 HydrophobicContact CB-CD1 4.33Å; I494-R496 PolarHBondContact O-N 3.45Å
495	P	93.3	Very high	63.7	Low	93 Å²	93	108.7 Å²	108.7	60%	0.604	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-56.6	134.4	179.6	-24	32.1	0	0	0	111.3	R458 Y459 T497	R458-P495 WeakPolarHBondContact O-CA 3.28Å; Y459-P495 HydrophobicContact CD1-CB 4.5Å; Y459-P495 HydrophobicContact CD1-CG 4.32Å; Y459-P495 HydrophobicContact CE1-CB 4.39Å; Y459-P495 HydrophobicContact CE1-CG 3.99Å; P495-T497 PolarHBondContact O-N 3.28Å
496	R	88.5	Confident	63.3	Low	75 Å²	75	110.6 Å²	110.6	28%	0.283	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-77	122	168	-72.8	174.3	175	-89.1	-2.1	107.4	E330 L456 R458 Y459 I494 T498	E330-R496 VanDerWaalsContact CD-NH2 3.33Å; E330-R496 IonicContact OE1-CZ 3.46Å; E330-R496 IonicContact OE1-NH2 2.65Å; E330-R496 PolarHBondContact OE1-NH2 2.65Å; L456-R496 WeakPolarHBondContact O-CD 3.49Å; L456-R496 PolarHBondContact O-NE 2.8Å; R458-R496 PolarHBondContact O-N 2.94Å; Y459-R496 PolarHBondContact O-NE 3.05Å; Y459-R496 VanDerWaalsContact O-NE 3.07Å; I494-R496 PolarHBondContact O-N 3.45Å; R496-T498 PolarHBondContact O-N 3.17Å
497	T	71.7	Confident	63.7	Low	133 Å²	133	106.7 Å²	106.7	82%	0.816	55%	0.545	S	S	*	.			trans	-58.4	110.7	165.2	34.1	0	0	0	0	107.3	P495 Q499	P495-T497 PolarHBondContact O-N 3.28Å; T497-Q499 PolarHBondContact O-N 2.98Å
498	T	53.3	Low	64	Low	127 Å²	127	105.7 Å²	105.7	78%	0.779	54%	0.544	S	S	*	.			trans	-52.1	112.6	160	31	0	0	0	0	105.7	R496 P500	R496-T498 PolarHBondContact O-N 3.17Å; T498-P500 VanDerWaalsContact O-CD 3.27Å; T498-P500 WeakPolarHBondContact O-CD 3.36Å
499	Q	38.4	Very low	64.1	Low	166 Å²	166	110.6 Å²	110.6	78%	0.776	57%	0.566	S	S	*	*			trans	-54.5	122	165.5	-87.8	-174.3	-22.4	0	0	105.5	T497 Q501	T497-Q499 PolarHBondContact O-N 2.98Å; Q499-Q501 PolarHBondContact O-N 2.8Å; Q499-Q501 VanDerWaalsContact O-N 3.1Å
500	P	34	Very low	62.9	Low	116 Å²	116	116.8 Å²	116.8	75%	0.753	60%	0.598	S	S	*	*			trans	-56	125.9	169.2	20.9	-26.4	0	0	0	105.8	T498 H502	T498-P500 VanDerWaalsContact O-CD 3.27Å; T498-P500 WeakPolarHBondContact O-CD 3.36Å; P500-H502 PolarHBondContact O-N 3.23Å
501	Q	36.8	Very low	61.3	Low	185 Å²	185	123.7 Å²	123.7	86%	0.864	63%	0.631	S	S	*	*			trans	-41.7	120.5	170.9	-78.2	175.6	-26.4	0	0	107.3	Q499 S503	Q499-Q501 PolarHBondContact O-N 2.8Å; Q499-Q501 VanDerWaalsContact O-N 3.1Å; Q501-S503 PolarHBondContact O-N 3.23Å
502	H	34.1	Very low	59	Low	155 Å²	155	132.6 Å²	132.6	72%	0.718	68%	0.676	S	S	*	*			trans	-44.2	109.2	176.7	-90.7	-80.4	0	0	0	109.1	P500 R504	P500-H502 PolarHBondContact O-N 3.23Å; H502-R504 HydrophobicContact CB-CG 4.27Å; H502-R504 PolarHBondContact O-N 3.4Å
503	S	32	Very low	56.4	Low	114 Å²	114	132.8 Å²	132.8	80%	0.797	69%	0.691	S	S	*	*			trans	-57.2	87.2	151.5	27.7	0	0	0	0	106.5	Q501 L505	Q501-S503 PolarHBondContact O-N 3.23Å; S503-L505 VanDerWaalsContact C-N 3.33Å; S503-L505 PolarHBondContact O-N 3.46Å; S503-L505 VanDerWaalsContact O-N 3.17Å
504	R	32.1	Very low	53.1	Low	230 Å²	230	142.3 Å²	142.3	87%	0.868	74%	0.741	S	S	*	*			trans	-75	94.7	162.3	-70.7	-172.2	-173.4	-177.8	3	106.5	H502	H502-R504 HydrophobicContact CB-CG 4.27Å; H502-R504 PolarHBondContact O-N 3.4Å
505	L	30.3	Very low	49.5	Very low	241 Å²	241	148.6 Å²	148.6	100%	1.262	78%	0.775	S	S	*	*			trans	-64.9	0	147.6	-85.3	160.7	0	0	0	109.4	S503	S503-L505 VanDerWaalsContact C-N 3.33Å; S503-L505 PolarHBondContact O-N 3.46Å; S503-L505 VanDerWaalsContact O-N 3.17Å

Retrieved 505 of 505 residues in 148.8 ms (Link to these results)

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