X5D963_HUMAN Loading...

Myotubularin-related protein 10

AlphaFold DB (Q9NXD2), UniProt , Accession X5D963, Species HUMAN (Homo sapiens, Human), Gene MTMR10, Length 777 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	53.9	Low	244 Å²	244	160.9 Å²	160.9	100%	1.202	85%	0.845	S	S	*	*				0	104.5	0	-75.4	179.4	-169.1	0	0	108	S3	M1-S3 PolarHBondContact O-N 3Å
2	F	43.3	Very low	54.3	Low	211 Å²	211	164.9 Å²	164.9	93%	0.925	84%	0.841	S	S	*	*			trans	-74.1	118.9	168.7	-70	-78.8	0	0	0	107.5	L4	F2-L4 PolarHBondContact O-N 3.47Å
3	S	51.1	Low	54.8	Low	98 Å²	98	158.1 Å²	158.1	69%	0.685	82%	0.817	S	S	*	*			trans	-59.2	121.6	-178.9	174.6	0	0	0	0	110.3	M1 K5	M1-S3 PolarHBondContact O-N 3Å; S3-K5 PolarHBondContact O-N 2.75Å
4	L	51.8	Low	55.2	Low	176 Å²	176	161.9 Å²	161.9	92%	0.921	82%	0.818	S	S	*	*			trans	-78	18.3	176.1	-79.4	162.8	0	0	0	113.3	F2 P6	F2-L4 PolarHBondContact O-N 3.47Å; L4-P6 WeakPolarHBondContact O-CD 3.38Å
5	K	51.8	Low	54.9	Low	176 Å²	176	160.9 Å²	160.9	77%	0.765	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-80.9	118.3	175.6	-77.5	-172.6	177.1	178.2	0	109.7	S3	S3-K5 PolarHBondContact O-N 2.75Å
6	P	51.9	Low	54.1	Low	112 Å²	112	161.1 Å²	161.1	73%	0.727	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-60.4	139.2	176.6	23.9	-31.5	0	0	0	109.8	L4 K8	L4-P6 WeakPolarHBondContact O-CD 3.38Å; P6-K8 PolarHBondContact O-N 2.69Å
7	P	49	Very low	53.5	Low	126 Å²	126	158.3 Å²	158.3	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.4	-179.9	23.9	-31.4	0	0	0	109.7
8	K	59	Low	52.9	Low	192 Å²	192	155.7 Å²	155.7	84%	0.835	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.9	131.2	170.7	-77.7	-177.3	176.1	-179.8	0	108.3	P6 T10	P6-K8 PolarHBondContact O-N 2.69Å; K8-T10 PolarHBondContact O-N 3.37Å
9	P	60.9	Low	52.3	Low	116 Å²	116	153.9 Å²	153.9	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-62.1	127	177.8	23.2	-30.8	0	0	0	109.9	F11	P9-F11 VanDerWaalsContact C-N 3.31Å
10	T	67.5	Low	51.5	Low	152 Å²	152	155.6 Å²	155.6	93%	0.933	81%	0.81	S	S	*	*	S	Bend	trans	-84.4	-4.3	179	41.1	0	0	0	0	113.2	K8	K8-T10 PolarHBondContact O-N 3.37Å
11	F	66.2	Low	50.9	Low	167 Å²	167	154.2 Å²	154.2	73%	0.732	81%	0.809	S	S	*	*			trans	-121	120.4	179.1	-172	-102.4	0	0	0	110.8	P9	P9-F11 VanDerWaalsContact C-N 3.31Å
12	R	58.4	Low	50.7	Low	209 Å²	209	150.2 Å²	150.2	79%	0.789	79%	0.792	S	S	*	*			trans	-99.7	112.1	167.6	-78.7	-176.4	175.6	-175.8	-2.1	107.9	Y14	R12-Y14 WeakPolarHBondContact O-CD2 3.47Å
13	S	60.9	Low	50.4	Low	76 Å²	76	146.5 Å²	146.5	53%	0.531	78%	0.782	S	S	.	*			trans	-70.8	132.9	169.1	-178.1	0	0	0	0	109.6	L15	S13-L15 PolarHBondContact OG-N 3.13Å
14	Y	60.2	Low	49.5	Very low	212 Å²	212	152.1 Å²	152.1	83%	0.831	79%	0.794	S	S	*	*			trans	-95.5	6.6	176.6	-67.6	-86.4	0	0	0	113.1	R12 L16	R12-Y14 WeakPolarHBondContact O-CD2 3.47Å; Y14-L16 PolarHBondContact O-N 3.15Å
15	L	51.1	Low	48.8	Very low	147 Å²	147	149.8 Å²	149.8	77%	0.77	78%	0.781	S	S	*	*	S	Bend	trans	-75	119.2	170.5	-67.3	172.1	0	0	0	108.5	S13	S13-L15 PolarHBondContact OG-N 3.13Å
16	L	42.9	Very low	48	Very low	164 Å²	164	149.8 Å²	149.8	86%	0.859	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.3	177	-75	159.4	0	0	0	109.6	Y14	Y14-L16 PolarHBondContact O-N 3.15Å
17	P	44.1	Very low	47.1	Very low	113 Å²	113	148.4 Å²	148.4	73%	0.734	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.5	140.2	177.1	-18	28.8	0	0	0	110.2
18	P	41.6	Very low	46.4	Very low	112 Å²	112	150.7 Å²	150.7	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-58.5	148.2	174	-17.2	28.8	0	0	0	110.9	Q20	P18-Q20 PolarHBondContact O-N 2.94Å
19	P	41.1	Very low	45.6	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.1	131.2	-175.6	22.4	-31	0	0	0	111.4	T21	P19-T21 PolarHBondContact O-N 3.02Å
20	Q	36.9	Very low	44.5	Very low	187 Å²	187	151 Å²	151	87%	0.874	78%	0.783	S	S	*	*			trans	-64.3	101.6	-178.5	-67.5	172.1	-5.7	0	0	110.1	P18	P18-Q20 PolarHBondContact O-N 2.94Å
21	T	38.8	Very low	43.8	Very low	127 Å²	127	150.9 Å²	150.9	78%	0.779	78%	0.776	S	S	*	*			trans	-84.4	114	157.3	45.2	0	0	0	0	107.9	P19 D23	P19-T21 PolarHBondContact O-N 3.02Å; T21-D23 VanDerWaalsContact C-N 3.31Å; T21-D23 PolarHBondContact O-N 2.66Å
22	D	35.8	Very low	43.5	Very low	159 Å²	159	150.3 Å²	150.3	85%	0.85	77%	0.773	S	S	*	*			trans	-59.7	87.9	170.7	-83.5	-42.7	0	0	0	110.3
23	D	37.7	Very low	44.2	Very low	134 Å²	134	147.9 Å²	147.9	72%	0.717	77%	0.768	S	S	*	*			trans	-129.2	104.3	158	-91	-36.2	0	0	0	108.8	T21 I25	T21-D23 VanDerWaalsContact C-N 3.31Å; T21-D23 PolarHBondContact O-N 2.66Å; D23-I25 HydrophobicContact CB-CG1 4.47Å; D23-I25 PolarHBondContact O-N 2.68Å
24	K	33	Very low	45.2	Very low	215 Å²	215	145.7 Å²	145.7	94%	0.935	75%	0.75	S	S	*	*			trans	-61.9	78.2	167	-73.7	177.3	175.1	173.9	0	109.4
25	I	37	Very low	46.4	Very low	127 Å²	127	141.1 Å²	141.1	65%	0.651	74%	0.736	S	S	*	*			trans	-101.3	87.5	162.3	-56.2	179.6	0	0	0	106.7	D23 S27	D23-I25 HydrophobicContact CB-CG1 4.47Å; D23-I25 PolarHBondContact O-N 2.68Å; I25-S27 WeakPolarHBondContact CG2-OG 3.44Å; I25-S27 PolarHBondContact O-N 3.45Å
26	N	33.8	Very low	48.1	Very low	176 Å²	176	135.7 Å²	135.7	94%	0.941	71%	0.71	S	S	*	*			trans	-62.2	75.5	153.1	-95.1	-11.2	0	0	0	107.9
27	S	33.9	Very low	50.3	Low	83 Å²	83	133.8 Å²	133.8	58%	0.58	71%	0.705	S	S	*	*			trans	-107.6	96.8	156.1	58.5	0	0	0	0	106	I25	I25-S27 WeakPolarHBondContact CG2-OG 3.44Å; I25-S27 PolarHBondContact O-N 3.45Å
28	E	34.5	Very low	52.7	Low	174 Å²	174	131.9 Å²	131.9	81%	0.813	69%	0.688	S	S	*	*			trans	-44.5	130.4	151.6	-73	-178.1	151.7	0	0	106.7	K30	E28-K30 PolarHBondContact O-N 3.28Å
29	P	42.1	Very low	55.1	Low	113 Å²	113	128 Å²	128	73%	0.734	66%	0.661	S	S	*	*			trans	-58.4	109.9	178.7	23	-30.4	0	0	0	106.2	I31	P29-I31 PolarHBondContact O-N 3.05Å
30	K	37.9	Very low	57.6	Low	201 Å²	201	125.5 Å²	125.5	87%	0.874	65%	0.645	S	S	*	*			trans	-58.8	93.8	170.4	-74.3	-179.6	178.5	177.2	0	105.5	E28 K32	E28-K30 PolarHBondContact O-N 3.28Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.85Å
31	I	51.1	Low	60.2	Low	151 Å²	151	116.7 Å²	116.7	77%	0.774	60%	0.604	S	S	*	*			trans	-56.4	105.6	168.7	-61.3	172	0	0	0	103.6	P29 K33	P29-I31 PolarHBondContact O-N 3.05Å; I31-K33 PolarHBondContact O-N 3.36Å
32	K	60.4	Low	62.9	Low	154 Å²	154	111.1 Å²	111.1	67%	0.67	57%	0.569	S	S	*	*			trans	-59.4	120.7	177.5	-79.5	-178.2	-179.3	172.9	0	105.4	K30 L34	K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.85Å; K32-L34 PolarHBondContact O-N 3.45Å
33	K	73.9	Confident	65.7	Low	158 Å²	158	108 Å²	108	69%	0.687	55%	0.551	S	S	*	*			trans	-64.6	110.1	177.5	-165.8	176.3	169.6	-151	0	106.5	I31 E35	I31-K33 PolarHBondContact O-N 3.36Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.24Å; K33-E35 HydrophobicContact CD-CG 4.12Å; K33-E35 WeakPolarHBondContact CD-OE1 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.06Å; K33-E35 HydrophobicContact CG-CG 3.86Å; K33-E35 IonicContact NZ-OE1 2.69Å; K33-E35 PolarHBondContact NZ-OE1 3.38Å; K33-E35 PolarHBondContact O-N 3.02Å
34	L	81.8	Confident	68.6	Low	31 Å²	31	104.3 Å²	104.3	16%	0.162	53%	0.534	C	S	.	.			trans	-65.1	91.8	176.1	-65.5	173.4	0	0	0	108.6	K32 K67 I78 D80	K32-L34 PolarHBondContact O-N 3.45Å; L34-K67 HydrophobicContact CB-CB 4.29Å; L34-K67 HydrophobicContact CD1-CB 4.02Å; L34-K67 WeakPolarHBondContact O-CE 3.45Å; L34-K67 PolarHBondContact O-NZ 3.47Å; L34-I78 HydrophobicContact CB-CB 4.48Å; L34-I78 HydrophobicContact CB-CG2 4.31Å; L34-I78 HydrophobicContact CD2-CB 4.42Å; L34-I78 HydrophobicContact CD2-CG2 3.78Å; L34-D80 HydrophobicContact CD2-CB 4.41Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.4Å
35	E	85.8	Confident	71.5	Confident	115 Å²	115	95.7 Å²	95.7	54%	0.537	50%	0.499	S	S	.	.			trans	-107.3	135.8	-179.2	-67.7	-168	159.5	0	0	111.1	K33	K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.24Å; K33-E35 HydrophobicContact CD-CG 4.12Å; K33-E35 WeakPolarHBondContact CD-OE1 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.06Å; K33-E35 HydrophobicContact CG-CG 3.86Å; K33-E35 IonicContact NZ-OE1 2.69Å; K33-E35 PolarHBondContact NZ-OE1 3.38Å; K33-E35 PolarHBondContact O-N 3.02Å
36	P	86.4	Confident	74.4	Confident	33 Å²	33	92 Å²	92	21%	0.214	48%	0.481	C	S	.	.			trans	-73.4	145.5	178.2	29	-33.2	0	0	0	112.4	L38 V44 I69 I78	P36-L38 HydrophobicContact CB-CD2 3.85Å; P36-L38 HydrophobicContact CB-CG 4.23Å; P36-L38 HydrophobicContact CG-CD1 4.39Å; P36-L38 HydrophobicContact CG-CD2 3.97Å; P36-L38 HydrophobicContact CG-CG 4.08Å; P36-L38 PolarHBondContact O-N 3.3Å; P36-V44 HydrophobicContact CG-CG2 3.97Å; P36-I69 HydrophobicContact CB-CD1 3.74Å; P36-I69 HydrophobicContact CG-CD1 3.75Å; P36-I78 HydrophobicContact CB-CD1 4.07Å
37	V	89.4	Confident	77.4	Confident	125 Å²	125	87.6 Å²	87.6	76%	0.758	46%	0.455	S	S	*	.			trans	-84.7	106.4	165.1	-177.2	0	0	0	0	108.3
38	L	93.5	Very high	80.4	Confident	72 Å²	72	83.8 Å²	83.8	38%	0.377	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-99.8	138.8	-176.8	-59.5	179.1	0	0	0	111.4	P36 E42 V44	P36-L38 HydrophobicContact CB-CD2 3.85Å; P36-L38 HydrophobicContact CB-CG 4.23Å; P36-L38 HydrophobicContact CG-CD1 4.39Å; P36-L38 HydrophobicContact CG-CD2 3.97Å; P36-L38 HydrophobicContact CG-CG 4.08Å; P36-L38 PolarHBondContact O-N 3.3Å; L38-E42 WeakPolarHBondContact CA-OE2 3.08Å; L38-E42 HydrophobicContact CB-CB 4.19Å; L38-E42 HydrophobicContact CD2-CB 4.46Å; L38-E42 HydrophobicContact CD2-CG 3.94Å; L38-V44 HydrophobicContact CD1-CG2 4.11Å; L38-V44 HydrophobicContact CD2-CG2 4.13Å
39	L	93.3	Very high	83.3	Confident	31 Å²	31	78.8 Å²	78.8	16%	0.162	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-78.2	160.6	172.2	-65.8	177.2	0	0	0	111.6	G41 E42 F73 L94 F176	L39-G41 PolarHBondContact O-N 3.21Å; L39-G41 VanDerWaalsContact O-N 3.11Å; L39-E42 HydrophobicContact CB-CB 4.3Å; L39-E42 PolarHBondContact N-OE2 2.85Å; L39-E42 WeakPolarHBondContact O-CB 3.27Å; L39-E42 PolarHBondContact O-N 3.04Å; L39-F73 HydrophobicContact CD1-CD1 4.12Å; L39-F73 HydrophobicContact CD1-CE1 3.72Å; L39-F73 HydrophobicContact CD1-CZ 4.48Å; L39-L94 HydrophobicContact CD1-CB 4.43Å; L39-L94 HydrophobicContact CD1-CD2 3.93Å; L39-L94 HydrophobicContact CD2-CD2 4.16Å; L39-F176 HydrophobicContact CB-CE1 4.22Å; L39-F176 HydrophobicContact CB-CZ 3.8Å; L39-F176 HydrophobicContact CD1-CE1 3.88Å; L39-F176 HydrophobicContact CD1-CZ 4.32Å
40	P	91.9	Very high	85.8	Confident	70 Å²	70	80.1 Å²	80.1	46%	0.455	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	121.1	169.5	-25.2	34	0	0	0	110.8	Y180	P40-Y180 HydrophobicContact CB-CD2 4.47Å; P40-Y180 HydrophobicContact CB-CE2 4.46Å; P40-Y180 HydrophobicContact CG-CE2 4.37Å; P40-Y180 WeakPolarHBondContact O-CA 3.4Å; P40-Y180 VanDerWaalsContact O-CD2 3.24Å; P40-Y180 WeakPolarHBondContact O-CD2 3.39Å
41	G	91.9	Very high	88.5	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.021	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.5	-16.9	-178	0	0	0	0	0	113.7	L39 N72 K183	L39-G41 PolarHBondContact O-N 3.21Å; L39-G41 VanDerWaalsContact O-N 3.11Å; G41-N72 PolarHBondContact O-ND2 3.3Å; G41-K183 VanDerWaalsContact CA-CE 3.5Å
42	E	95.7	Very high	90.4	Very high	10 Å²	10	65 Å²	65	5%	0.047	33%	0.329	C	S	.	.			trans	-79.2	135.3	-176.3	-165.4	177.6	-178.7	0	0	110.3	L38 L39 S71 N72 F73 K74 F176	L38-E42 WeakPolarHBondContact CA-OE2 3.08Å; L38-E42 HydrophobicContact CB-CB 4.19Å; L38-E42 HydrophobicContact CD2-CB 4.46Å; L38-E42 HydrophobicContact CD2-CG 3.94Å; L39-E42 HydrophobicContact CB-CB 4.3Å; L39-E42 PolarHBondContact N-OE2 2.85Å; L39-E42 WeakPolarHBondContact O-CB 3.27Å; L39-E42 PolarHBondContact O-N 3.04Å; E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.37Å; E42-S71 PolarHBondContact OE1-OG 3.46Å; E42-N72 WeakPolarHBondContact CA-OD1 3.33Å; E42-F73 HydrophobicContact CG-CB 4.12Å; E42-K74 WeakPolarHBondContact OE1-CE 3.12Å; E42-K74 WeakPolarHBondContact OE1-CG 3.39Å; E42-F176 HydrophobicContact CB-CE2 3.74Å; E42-F176 HydrophobicContact CB-CZ 3.94Å; E42-F176 HydrophobicContact CG-CE2 4.32Å
43	I	95.3	Very high	91.8	Very high	92 Å²	92	57.7 Å²	57.7	47%	0.472	30%	0.297	S	S	.	.			trans	-130.5	139	178.7	59.6	169.7	0	0	0	109.7	V45 S71 N72	I43-V45 PolarHBondContact O-N 2.86Å; I43-S71 CarbonylContact O-C 3.53Å; I43-S71 WeakPolarHBondContact O-CA 3.45Å; I43-S71 WeakPolarHBondContact O-CB 3.47Å; I43-N72 HydrophobicContact CG1-CB 4.11Å; I43-N72 PolarHBondContact N-OD1 3.46Å; I43-N72 PolarHBondContact O-N 3.16Å; I43-N72 VanDerWaalsContact O-N 3.12Å; I43-N72 PolarHBondContact O-OD1 2.88Å
44	V	96.9	Very high	92.4	Very high	57 Å²	57	50.5 Å²	50.5	35%	0.345	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.4	171.4	175.4	0	0	0	0	108.5	P36 L38 I69	P36-V44 HydrophobicContact CG-CG2 3.97Å; L38-V44 HydrophobicContact CD1-CG2 4.11Å; L38-V44 HydrophobicContact CD2-CG2 4.13Å; V44-I69 HydrophobicContact CB-CG2 4.38Å; V44-I69 HydrophobicContact CG1-CG2 3.77Å; V44-I69 HydrophobicContact CG2-CG2 3.87Å
45	V	95.7	Very high	92.3	Very high	34 Å²	34	49.6 Å²	49.6	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-52	176.4	174.4	0	0	0	0	109.8	I43 C70 A162 Y166	I43-V45 PolarHBondContact O-N 2.86Å; V45-C70 WeakPolarHBondContact CA-O 3.3Å; V45-C70 WeakPolarHBondContact CB-O 3.44Å; V45-C70 PolarHBondContact N-O 3.28Å; V45-A162 HydrophobicContact CG1-CB 3.97Å; V45-Y166 HydrophobicContact CB-CE2 4.18Å; V45-Y166 HydrophobicContact CG1-CD2 3.81Å; V45-Y166 HydrophobicContact CG1-CE2 3.27Å; V45-Y166 HydrophobicContact CG2-CD1 4.11Å; V45-Y166 HydrophobicContact CG2-CD2 4.22Å; V45-Y166 HydrophobicContact CG2-CE1 3.71Å; V45-Y166 HydrophobicContact CG2-CE2 3.87Å; V45-Y166 HydrophobicContact CG2-CG 4.33Å
46	N	97.1	Very high	91.4	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.9	-179.7	-91.1	-6.7	0	0	0	110.3	C70 K158 V159 A162	N46-C70 PolarHBondContact N-O 3.24Å; N46-C70 PolarHBondContact O-N 3.46Å; N46-K158 VanDerWaalsContact ND2-C 3.31Å; N46-K158 PolarHBondContact ND2-O 3.45Å; N46-V159 HydrophobicContact CB-CG2 4.47Å; N46-A162 HydrophobicContact CB-CB 3.87Å; N46-A162 WeakPolarHBondContact ND2-CB 3.36Å
47	E	96.6	Very high	90.2	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.5	173.9	59.8	170.9	-147	0	0	111.7	K67 L68 I69	E47-K67 IonicContact OE1-NZ 3.73Å; E47-K67 IonicContact OE2-NZ 3.36Å; E47-K67 PolarHBondContact OE2-NZ 3.01Å; E47-L68 CarbonylContact C-O 3.3Å; E47-L68 VanDerWaalsContact CA-O 3.27Å; E47-L68 WeakPolarHBondContact CA-O 3.48Å; E47-I69 HydrophobicContact CB-CG1 4Å
48	V	96.9	Very high	88.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.6	173	56.2	0	0	0	0	109.5	V51 K67 L68 F148 V159	V48-V51 HydrophobicContact CB-CG2 4.26Å; V48-V51 HydrophobicContact CG1-CG2 3.46Å; V48-V51 VanDerWaalsContact CG1-CG2 3.46Å; V48-V51 HydrophobicContact CG2-CG2 4.05Å; V48-K67 WeakPolarHBondContact O-CA 3.44Å; V48-K67 WeakPolarHBondContact O-CG 3.41Å; V48-L68 HydrophobicContact CG1-CB 3.85Å; V48-L68 HydrophobicContact CG1-CD2 4.45Å; V48-L68 PolarHBondContact N-O 3.17Å; V48-L68 PolarHBondContact O-N 2.62Å; V48-F148 HydrophobicContact CG1-CE1 4.11Å; V48-V159 HydrophobicContact CB-CG1 4.3Å; V48-V159 HydrophobicContact CG1-CB 4.03Å; V48-V159 HydrophobicContact CG1-CG1 3.52Å; V48-V159 HydrophobicContact CG1-CG2 4.29Å
49	N	95.7	Very high	87.7	Confident	69 Å²	69	45.3 Å²	45.3	37%	0.369	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	164.5	177.9	-65.3	-59.2	0	0	0	110.9	V51 K67 S151	N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 3.25Å; N49-K67 WeakPolarHBondContact OD1-CE 2.98Å; N49-S151 PolarHBondContact O-OG 3.05Å; N49-S151 VanDerWaalsContact O-OG 3.11Å
50	F	94.7	Very high	86.6	Confident	141 Å²	141	47.4 Å²	47.4	62%	0.618	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.3	43.2	177.1	-47.2	-71.1	0	0	0	112	G66 E150 S151	F50-G66 PolarHBondContact N-O 3.27Å; F50-E150 HydrophobicContact CB-CB 3.93Å; F50-S151 PolarHBondContact O-OG 2.96Å
51	V	94.6	Very high	85.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.2	174	-177.8	0	0	0	0	108.7	V48 N49 W65 G66 L68 F77 F146 F148	V48-V51 HydrophobicContact CB-CG2 4.26Å; V48-V51 HydrophobicContact CG1-CG2 3.46Å; V48-V51 VanDerWaalsContact CG1-CG2 3.46Å; V48-V51 HydrophobicContact CG2-CG2 4.05Å; N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 3.25Å; V51-W65 WeakPolarHBondContact O-CA 3.37Å; V51-G66 PolarHBondContact N-O 3.49Å; V51-G66 PolarHBondContact O-N 3.32Å; V51-L68 HydrophobicContact CB-CB 4.25Å; V51-L68 HydrophobicContact CG1-CB 4.25Å; V51-L68 HydrophobicContact CG2-CB 3.83Å; V51-F77 HydrophobicContact CB-CE2 4.31Å; V51-F77 HydrophobicContact CG1-CE2 4.42Å; V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.79Å; V51-F146 HydrophobicContact CG1-CG 4.11Å; V51-F148 HydrophobicContact CG1-CD1 4.22Å; V51-F148 HydrophobicContact CG1-CE1 4.01Å; V51-F148 HydrophobicContact CG2-CD1 3.98Å; V51-F148 HydrophobicContact CG2-CE1 3.92Å
52	R	91	Very high	85	Confident	35 Å²	35	57 Å²	57	13%	0.132	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.8	173.1	-177.5	167.4	60.6	134.8	-16.3	109.8	S60 D63 L64 W65 F146 R147 D149	R52-S60 VanDerWaalsContact NH1-CB 3.28Å; R52-D63 WeakPolarHBondContact CD-OD2 3.34Å; R52-D63 HydrophobicContact CG-CB 3.68Å; R52-D63 IonicContact CZ-OD2 3.66Å; R52-D63 IonicContact NE-OD2 3.8Å; R52-D63 IonicContact NH1-OD2 2.83Å; R52-D63 PolarHBondContact NH1-OD2 2.98Å; R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.5Å; R52-W65 HydrophobicContact CB-CD2 4.17Å; R52-W65 HydrophobicContact CB-CE3 4.04Å; R52-W65 HydrophobicContact CB-CH2 4Å; R52-W65 HydrophobicContact CB-CZ2 4.12Å; R52-W65 HydrophobicContact CB-CZ3 3.94Å; R52-W65 HydrophobicContact CG-CD2 4.48Å; R52-W65 HydrophobicContact CG-CZ2 4.24Å; R52-F146 CarbonylContact O-C 3.6Å; R52-F146 VanDerWaalsContact O-CA 3.25Å; R52-F146 WeakPolarHBondContact O-CA 3.39Å; R52-R147 HydrophobicContact CB-CB 4.35Å; R52-R147 PolarHBondContact N-O 3.04Å; R52-R147 PolarHBondContact O-N 3.43Å; R52-D149 IonicContact CZ-OD2 3.27Å; R52-D149 VanDerWaalsContact CZ-OD2 3.27Å; R52-D149 IonicContact NE-OD2 3.05Å; R52-D149 PolarHBondContact NE-OD2 2.88Å; R52-D149 IonicContact NH2-OD2 2.69Å; R52-D149 PolarHBondContact NH2-OD2 3.27Å
53	K	90.7	Very high	84.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.1	168.9	-177.1	-179.5	174.2	-176.7	0	108.5	I55 D63 L64 F77 H98 F146 G745	K53-I55 HydrophobicContact CD-CD1 4.07Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; K53-D63 WeakPolarHBondContact O-CA 3.38Å; K53-D63 WeakPolarHBondContact O-CB 3.45Å; K53-L64 HydrophobicContact CB-CB 4.32Å; K53-L64 PolarHBondContact N-O 2.88Å; K53-L64 PolarHBondContact O-N 3.25Å; K53-F77 HydrophobicContact CB-CD1 4.11Å; K53-F77 HydrophobicContact CB-CD2 4.48Å; K53-F77 HydrophobicContact CB-CE1 3.68Å; K53-F77 HydrophobicContact CB-CE2 4.08Å; K53-F77 HydrophobicContact CB-CG 4.49Å; K53-F77 HydrophobicContact CB-CZ 3.66Å; K53-F77 HydrophobicContact CD-CD1 3.81Å; K53-F77 HydrophobicContact CD-CE1 4.05Å; K53-F77 HydrophobicContact CD-CG 4.38Å; K53-H98 PolarHBondContact NZ-ND1 3.05Å; K53-F146 HydrophobicContact CB-CD1 3.89Å; K53-F146 HydrophobicContact CB-CE1 3.81Å; K53-F146 HydrophobicContact CD-CE1 4.09Å; K53-F146 HydrophobicContact CG-CD1 4.13Å; K53-F146 HydrophobicContact CG-CE1 3.78Å; K53-G745 WeakPolarHBondContact CE-O 3.36Å; K53-G745 PolarHBondContact NZ-O 2.88Å
54	C	86.2	Confident	84.2	Confident	7 Å²	7	53.1 Å²	53.1	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128	178.3	-63.3	0	0	0	0	110.3	D63 R145 R147 C748	C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.33Å; C54-R145 HydrophobicContact CB-CB 3.9Å; C54-R145 PolarHBondContact N-O 3.05Å; C54-R147 VanDerWaalsContact SG-CD 3.6Å; C54-C748 PolarHBondContact O-SG 3.43Å
55	I	78.6	Confident	83.8	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.062	28%	0.28	C	S	.	.			trans	-110	-41.2	-176.8	-59.7	-59.8	0	0	0	111.9	K53 Y62 D63 L64 V744 C748	K53-I55 HydrophobicContact CD-CD1 4.07Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 2.94Å; I55-D63 PolarHBondContact N-OD1 3.32Å; I55-L64 HydrophobicContact CD1-CD1 4.06Å; I55-L64 HydrophobicContact CD1-CG 4.13Å; I55-L64 HydrophobicContact CG1-CG 4.08Å; I55-V744 HydrophobicContact CG2-CG1 3.37Å; I55-C748 PolarHBondContact O-SG 3.38Å
56	A	67	Low	83.7	Confident	26 Å²	26	54.5 Å²	54.5	22%	0.215	27%	0.273	C	S	.	.			trans	-113.1	159.4	178	0	0	0	0	0	110.6	T59 Y62	A56-T59 HydrophobicContact CB-CG2 3.91Å; A56-Y62 HydrophobicContact CB-CD2 4.43Å
57	T	61.9	Low	83.6	Confident	52 Å²	52	53 Å²	53	32%	0.319	26%	0.264	S	S	.	.	S	Bend	trans	-84	-31.5	-179.8	44.8	0	0	0	0	114.3	C748 R749	T57-C748 HydrophobicContact CG2-CB 3.39Å; T57-C748 WeakPolarHBondContact CG2-O 3.27Å; T57-R749 WeakPolarHBondContact CB-O 3.44Å; T57-R749 VanDerWaalsContact CG2-CA 3.47Å; T57-R749 VanDerWaalsContact CG2-N 3.26Å; T57-R749 WeakPolarHBondContact CG2-O 3.46Å; T57-R749 PolarHBondContact OG1-O 3.2Å
58	D	62.2	Low	83.6	Confident	142 Å²	142	49 Å²	49	76%	0.759	25%	0.246	S	C	*	.	S	Bend	trans	-106.9	-24.6	-167.5	61	-18.1	0	0	0	113
59	T	67.2	Low	83.6	Confident	35 Å²	35	49 Å²	49	22%	0.215	25%	0.245	C	C	.	.			trans	-131.7	138.9	-177.3	-176.9	0	0	0	0	112.8	A56 Q61 Y62	A56-T59 HydrophobicContact CB-CG2 3.91Å; T59-Q61 VanDerWaalsContact C-N 3.29Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.39Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T59-Q61 PolarHBondContact OG1-N 3.48Å; T59-Q61 VanDerWaalsContact OG1-N 3.17Å; T59-Y62 HydrophobicContact CG2-CD2 3.68Å; T59-Y62 HydrophobicContact CG2-CE2 3.88Å
60	S	71.1	Confident	83.7	Confident	75 Å²	75	45.7 Å²	45.7	52%	0.524	23%	0.228	S	C	.	.	S	Bend	trans	-85.1	-0.7	171.7	62.7	0	0	0	0	113.3	R52 Y62 D63	R52-S60 VanDerWaalsContact NH1-CB 3.28Å; S60-Y62 PolarHBondContact O-N 2.94Å; S60-D63 WeakPolarHBondContact O-CB 3.15Å; S60-D63 PolarHBondContact O-N 3.29Å
61	Q	73.7	Confident	83.9	Confident	157 Å²	157	39 Å²	39	73%	0.734	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.9	-174.6	-73	-179.8	-1.3	0	0	113.3	T59	T59-Q61 VanDerWaalsContact C-N 3.29Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.39Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T59-Q61 PolarHBondContact OG1-N 3.48Å; T59-Q61 VanDerWaalsContact OG1-N 3.17Å
62	Y	77.1	Confident	83.9	Confident	115 Å²	115	40.1 Å²	40.1	45%	0.451	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.2	-179.3	-55.9	-64.5	0	0	0	113.3	I55 A56 T59 S60 M83	I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 2.94Å; A56-Y62 HydrophobicContact CB-CD2 4.43Å; T59-Y62 HydrophobicContact CG2-CD2 3.68Å; T59-Y62 HydrophobicContact CG2-CE2 3.88Å; S60-Y62 PolarHBondContact O-N 2.94Å; Y62-M83 HydrophobicContact CD1-CE 4.14Å
63	D	85	Confident	84.2	Confident	18 Å²	18	38.5 Å²	38.5	10%	0.096	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-68	143.1	180	-72.3	-9.3	0	0	0	110.8	R52 K53 C54 I55 S60	R52-D63 WeakPolarHBondContact CD-OD2 3.34Å; R52-D63 HydrophobicContact CG-CB 3.68Å; R52-D63 IonicContact CZ-OD2 3.66Å; R52-D63 IonicContact NE-OD2 3.8Å; R52-D63 IonicContact NH1-OD2 2.83Å; R52-D63 PolarHBondContact NH1-OD2 2.98Å; K53-D63 WeakPolarHBondContact O-CA 3.38Å; K53-D63 WeakPolarHBondContact O-CB 3.45Å; C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.33Å; I55-D63 PolarHBondContact N-OD1 3.32Å; S60-D63 WeakPolarHBondContact O-CB 3.15Å; S60-D63 PolarHBondContact O-N 3.29Å
64	L	87.5	Confident	84.5	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.4	179.8	-57.6	175.1	0	0	0	110.5	R52 K53 I55 F77 T79 D81 M83 H98	R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.5Å; K53-L64 HydrophobicContact CB-CB 4.32Å; K53-L64 PolarHBondContact N-O 2.88Å; K53-L64 PolarHBondContact O-N 3.25Å; I55-L64 HydrophobicContact CD1-CD1 4.06Å; I55-L64 HydrophobicContact CD1-CG 4.13Å; I55-L64 HydrophobicContact CG1-CG 4.08Å; L64-F77 HydrophobicContact CB-CE1 3.72Å; L64-F77 HydrophobicContact CB-CZ 4.02Å; L64-F77 HydrophobicContact CD1-CE1 4.23Å; L64-T79 HydrophobicContact CD1-CG2 4.23Å; L64-D81 WeakPolarHBondContact CD2-O 2.93Å; L64-M83 HydrophobicContact CD2-CG 4.35Å; L64-H98 WeakPolarHBondContact CD1-NE2 3.44Å
65	W	90.6	Very high	85	Confident	114 Å²	114	38.6 Å²	38.6	43%	0.432	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.6	172.5	-72.2	90.1	0	0	0	110.6	V51 R52 T79 E150	V51-W65 WeakPolarHBondContact O-CA 3.37Å; R52-W65 HydrophobicContact CB-CD2 4.17Å; R52-W65 HydrophobicContact CB-CE3 4.04Å; R52-W65 HydrophobicContact CB-CH2 4Å; R52-W65 HydrophobicContact CB-CZ2 4.12Å; R52-W65 HydrophobicContact CB-CZ3 3.94Å; R52-W65 HydrophobicContact CG-CD2 4.48Å; R52-W65 HydrophobicContact CG-CZ2 4.24Å; W65-T79 PolarHBondContact O-OG1 3.23Å; W65-T79 VanDerWaalsContact O-OG1 3.11Å; W65-E150 HydrophobicContact CH2-CB 4.17Å; W65-E150 HydrophobicContact CH2-CG 3.52Å; W65-E150 HydrophobicContact CZ3-CB 3.84Å; W65-E150 HydrophobicContact CZ3-CG 3.68Å
66	G	93	Very high	85.7	Confident	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-160.4	-175.4	0	0	0	0	0	114.8	F50 V51 I78	F50-G66 PolarHBondContact N-O 3.27Å; V51-G66 PolarHBondContact N-O 3.49Å; V51-G66 PolarHBondContact O-N 3.32Å; G66-I78 CarbonylContact C-O 3.52Å; G66-I78 WeakPolarHBondContact CA-O 3.49Å
67	K	95.1	Very high	87	Confident	18 Å²	18	37.5 Å²	37.5	8%	0.078	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.8	178	-178.4	-170.4	-81.3	-171.8	0	109.4	L34 E47 V48 N49 I69 F77 I78	L34-K67 HydrophobicContact CB-CB 4.29Å; L34-K67 HydrophobicContact CD1-CB 4.02Å; L34-K67 WeakPolarHBondContact O-CE 3.45Å; L34-K67 PolarHBondContact O-NZ 3.47Å; E47-K67 IonicContact OE1-NZ 3.73Å; E47-K67 IonicContact OE2-NZ 3.36Å; E47-K67 PolarHBondContact OE2-NZ 3.01Å; V48-K67 WeakPolarHBondContact O-CA 3.44Å; V48-K67 WeakPolarHBondContact O-CG 3.41Å; N49-K67 WeakPolarHBondContact OD1-CE 2.98Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.74Å; K67-I69 HydrophobicContact CG-CD1 4.27Å; K67-I69 HydrophobicContact CG-CG1 3.87Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; K67-I78 PolarHBondContact N-O 2.81Å; K67-I78 PolarHBondContact O-N 3.36Å
68	L	96.9	Very high	88.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.1	171.7	-175.8	66.7	0	0	0	109.7	E47 V48 V51 I75 F77 L134 F146 F148 V159 I163	E47-L68 CarbonylContact C-O 3.3Å; E47-L68 VanDerWaalsContact CA-O 3.27Å; E47-L68 WeakPolarHBondContact CA-O 3.48Å; V48-L68 HydrophobicContact CG1-CB 3.85Å; V48-L68 HydrophobicContact CG1-CD2 4.45Å; V48-L68 PolarHBondContact N-O 3.17Å; V48-L68 PolarHBondContact O-N 2.62Å; V51-L68 HydrophobicContact CB-CB 4.25Å; V51-L68 HydrophobicContact CG1-CB 4.25Å; V51-L68 HydrophobicContact CG2-CB 3.83Å; L68-I75 HydrophobicContact CD1-CG2 3.38Å; L68-I75 HydrophobicContact CG-CG2 4.32Å; L68-F77 HydrophobicContact CD1-CB 4.33Å; L68-L134 HydrophobicContact CD2-CD2 4.02Å; L68-F146 HydrophobicContact CD1-CD1 4.42Å; L68-F146 HydrophobicContact CD1-CD2 4.22Å; L68-F146 HydrophobicContact CD1-CE1 3.97Å; L68-F146 HydrophobicContact CD1-CE2 3.73Å; L68-F146 HydrophobicContact CD1-CZ 3.59Å; L68-F146 HydrophobicContact CD2-CD2 4.09Å; L68-F146 HydrophobicContact CD2-CE2 4.4Å; L68-F146 HydrophobicContact CD2-CG 4.23Å; L68-F148 HydrophobicContact CD2-CE1 4.29Å; L68-F148 HydrophobicContact CD2-CZ 4.39Å; L68-V159 HydrophobicContact CD2-CG1 4.36Å; L68-V159 HydrophobicContact CD2-CG2 4.42Å; L68-I163 HydrophobicContact CD2-CD1 4.31Å
69	I	96.8	Very high	89.6	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.7	-176.3	-57.4	177.8	0	0	0	108.5	P36 V44 E47 K67 I75 S76 I78	P36-I69 HydrophobicContact CB-CD1 3.74Å; P36-I69 HydrophobicContact CG-CD1 3.75Å; V44-I69 HydrophobicContact CB-CG2 4.38Å; V44-I69 HydrophobicContact CG1-CG2 3.77Å; V44-I69 HydrophobicContact CG2-CG2 3.87Å; E47-I69 HydrophobicContact CB-CG1 4Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.74Å; K67-I69 HydrophobicContact CG-CD1 4.27Å; K67-I69 HydrophobicContact CG-CG1 3.87Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.29Å; I69-I75 WeakPolarHBondContact O-CA 3.29Å; I69-S76 PolarHBondContact N-O 3.31Å; I69-S76 PolarHBondContact O-N 2.79Å; I69-I78 HydrophobicContact CD1-CD1 3.65Å; I69-I78 HydrophobicContact CD1-CG1 4.41Å
70	C	97.7	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.3	166.4	-174.6	0	0	0	0	108	V45 N46 V159 I163	V45-C70 WeakPolarHBondContact CA-O 3.3Å; V45-C70 WeakPolarHBondContact CB-O 3.44Å; V45-C70 PolarHBondContact N-O 3.28Å; N46-C70 PolarHBondContact N-O 3.24Å; N46-C70 PolarHBondContact O-N 3.46Å; C70-V159 HydrophobicContact CB-CG2 4.3Å; C70-I163 HydrophobicContact CB-CG1 3.82Å
71	S	97.1	Very high	90.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-176.2	167.4	75.3	0	0	0	0	110.7	E42 I43 F73 K74 L102	E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.37Å; E42-S71 PolarHBondContact OE1-OG 3.46Å; I43-S71 CarbonylContact O-C 3.53Å; I43-S71 WeakPolarHBondContact O-CA 3.45Å; I43-S71 WeakPolarHBondContact O-CB 3.47Å; S71-F73 PolarHBondContact O-N 3.24Å; S71-F73 PolarHBondContact OG-N 2.98Å; S71-K74 PolarHBondContact N-O 3.48Å; S71-K74 PolarHBondContact OG-N 3.03Å; S71-K74 PolarHBondContact OG-O 3.45Å; S71-L102 WeakPolarHBondContact O-CD1 3.29Å
72	N	95.6	Very high	89.9	Confident	23 Å²	23	31.1 Å²	31.1	12%	0.123	16%	0.155	C	C	.	.	S	Bend	trans	-77.1	1.5	167.5	65.4	-32.3	0	0	0	113.7	G41 E42 I43 Y166	G41-N72 PolarHBondContact O-ND2 3.3Å; E42-N72 WeakPolarHBondContact CA-OD1 3.33Å; I43-N72 HydrophobicContact CG1-CB 4.11Å; I43-N72 PolarHBondContact N-OD1 3.46Å; I43-N72 PolarHBondContact O-N 3.16Å; I43-N72 VanDerWaalsContact O-N 3.12Å; I43-N72 PolarHBondContact O-OD1 2.88Å; N72-Y166 HydrophobicContact CB-CD1 4.46Å; N72-Y166 HydrophobicContact CB-CE1 4.48Å
73	F	97.2	Very high	89.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-120	-44.2	-179.2	174.8	-137.1	0	0	0	112.8	L39 E42 S71 L95 L102 F176 I497	L39-F73 HydrophobicContact CD1-CD1 4.12Å; L39-F73 HydrophobicContact CD1-CE1 3.72Å; L39-F73 HydrophobicContact CD1-CZ 4.48Å; E42-F73 HydrophobicContact CG-CB 4.12Å; S71-F73 PolarHBondContact O-N 3.24Å; S71-F73 PolarHBondContact OG-N 2.98Å; F73-L95 HydrophobicContact CE1-CD2 3.94Å; F73-L95 HydrophobicContact CZ-CD2 4.1Å; F73-L102 WeakPolarHBondContact O-CG 3.46Å; F73-L102 PolarHBondContact O-N 2.99Å; F73-F176 HydrophobicContact CB-CB 3.93Å; F73-F176 HydrophobicContact CB-CD1 3.79Å; F73-F176 HydrophobicContact CB-CD2 3.77Å; F73-F176 HydrophobicContact CB-CE1 4.23Å; F73-F176 HydrophobicContact CB-CE2 4.24Å; F73-F176 HydrophobicContact CB-CG 3.53Å; F73-F176 HydrophobicContact CB-CZ 4.45Å; F73-F176 AromaticContact CD1-CD1 3.99Å; F73-F176 HydrophobicContact CD1-CD1 3.99Å; F73-F176 AromaticContact CD1-CE1 3.97Å; F73-F176 HydrophobicContact CD1-CE1 3.97Å; F73-F176 HydrophobicContact CD2-CB 3.67Å; F73-F176 AromaticContact CD2-CD1 3.25Å; F73-F176 HydrophobicContact CD2-CD1 3.25Å; F73-F176 HydrophobicContact CD2-CE1 4.07Å; F73-F176 AromaticContact CD2-CG 3.6Å; F73-F176 HydrophobicContact CD2-CG 3.6Å; F73-F176 HydrophobicContact CE1-CD1 4.41Å; F73-F176 HydrophobicContact CE1-CE1 4.34Å; F73-F176 AromaticContact CE2-CD1 3.75Å; F73-F176 HydrophobicContact CE2-CD1 3.75Å; F73-F176 HydrophobicContact CE2-CE1 4.43Å; F73-F176 HydrophobicContact CE2-CG 4.48Å; F73-F176 HydrophobicContact CG-CB 4.12Å; F73-F176 AromaticContact CG-CD1 3.38Å; F73-F176 HydrophobicContact CG-CD1 3.38Å; F73-F176 HydrophobicContact CG-CD2 4.31Å; F73-F176 AromaticContact CG-CE1 3.82Å; F73-F176 HydrophobicContact CG-CE1 3.82Å; F73-F176 AromaticContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CZ 4.47Å; F73-F176 HydrophobicContact CZ-CD1 4.3Å; F73-I497 HydrophobicContact CE2-CG2 4.06Å; F73-I497 HydrophobicContact CZ-CG2 3.9Å
74	K	96.7	Very high	87.8	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.4	-168.8	60.9	-175.3	178	174.4	0	112.3	E42 S71 S76 L94 L95 D99 V100	E42-K74 WeakPolarHBondContact OE1-CE 3.12Å; E42-K74 WeakPolarHBondContact OE1-CG 3.39Å; S71-K74 PolarHBondContact N-O 3.48Å; S71-K74 PolarHBondContact OG-N 3.03Å; S71-K74 PolarHBondContact OG-O 3.45Å; K74-S76 WeakPolarHBondContact CE-OG 3.47Å; K74-L94 PolarHBondContact NZ-O 3.17Å; K74-L95 HydrophobicContact CB-CD2 4.45Å; K74-L95 HydrophobicContact CD-CD2 3.82Å; K74-D99 HydrophobicContact CD-CB 4.13Å; K74-D99 WeakPolarHBondContact CD-OD2 3.42Å; K74-D99 WeakPolarHBondContact CE-OD2 3.47Å; K74-D99 IonicContact NZ-OD2 2.75Å; K74-D99 PolarHBondContact NZ-OD2 2.98Å; K74-V100 CarbonylContact C-O 3.51Å; K74-V100 VanDerWaalsContact CA-O 3.31Å; K74-V100 WeakPolarHBondContact CA-O 3.33Å; K74-V100 WeakPolarHBondContact CB-O 3.39Å
75	I	96.3	Very high	86.3	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132	159.5	-58.6	175.1	0	0	0	107.2	L68 I69 D99 V100 L102 I105 I136 I163	L68-I75 HydrophobicContact CD1-CG2 3.38Å; L68-I75 HydrophobicContact CG-CG2 4.32Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.29Å; I69-I75 WeakPolarHBondContact O-CA 3.29Å; I75-D99 CarbonylContact O-C 3.54Å; I75-D99 VanDerWaalsContact O-CA 3.22Å; I75-D99 WeakPolarHBondContact O-CA 3.27Å; I75-V100 PolarHBondContact N-O 3.19Å; I75-V100 PolarHBondContact O-N 3.46Å; I75-L102 HydrophobicContact CG1-CD2 4.11Å; I75-I105 HydrophobicContact CD1-CD1 3.39Å; I75-I105 HydrophobicContact CD1-CG1 4.45Å; I75-I105 HydrophobicContact CG1-CD1 4.09Å; I75-I136 HydrophobicContact CD1-CD1 3.48Å; I75-I136 VanDerWaalsContact CD1-CD1 3.48Å; I75-I163 HydrophobicContact CD1-CB 4.29Å; I75-I163 HydrophobicContact CD1-CD1 3.78Å; I75-I163 HydrophobicContact CD1-CG1 3.79Å; I75-I163 HydrophobicContact CD1-CG2 3.52Å; I75-I163 HydrophobicContact CG1-CD1 4.23Å; I75-I163 HydrophobicContact CG1-CG1 4.01Å; I75-I163 HydrophobicContact CG1-CG2 4.42Å
76	S	94.8	Very high	84.6	Confident	8 Å²	8	34 Å²	34	6%	0.056	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.6	175.2	-73.1	0	0	0	0	110.5	I69 K74 D99	I69-S76 PolarHBondContact N-O 3.31Å; I69-S76 PolarHBondContact O-N 2.79Å; K74-S76 WeakPolarHBondContact CE-OG 3.47Å; S76-D99 WeakPolarHBondContact CA-OD1 3.4Å; S76-D99 WeakPolarHBondContact CB-OD1 3.38Å; S76-D99 PolarHBondContact OG-OD1 3.48Å; S76-D99 PolarHBondContact OG-OD2 3.5Å
77	F	93.5	Very high	83.2	Confident	7 Å²	7	39.3 Å²	39.3	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.7	170.1	176.8	-99.3	0	0	0	109.2	V51 K53 L64 K67 L68 T79 H98 F146	V51-F77 HydrophobicContact CB-CE2 4.31Å; V51-F77 HydrophobicContact CG1-CE2 4.42Å; K53-F77 HydrophobicContact CB-CD1 4.11Å; K53-F77 HydrophobicContact CB-CD2 4.48Å; K53-F77 HydrophobicContact CB-CE1 3.68Å; K53-F77 HydrophobicContact CB-CE2 4.08Å; K53-F77 HydrophobicContact CB-CG 4.49Å; K53-F77 HydrophobicContact CB-CZ 3.66Å; K53-F77 HydrophobicContact CD-CD1 3.81Å; K53-F77 HydrophobicContact CD-CE1 4.05Å; K53-F77 HydrophobicContact CD-CG 4.38Å; L64-F77 HydrophobicContact CB-CE1 3.72Å; L64-F77 HydrophobicContact CB-CZ 4.02Å; L64-F77 HydrophobicContact CD1-CE1 4.23Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; L68-F77 HydrophobicContact CD1-CB 4.33Å; F77-T79 HydrophobicContact CE1-CG2 4.45Å; F77-H98 HydrophobicContact CB-CB 3.97Å; F77-H98 HydrophobicContact CD1-CB 4.24Å; F77-H98 AromaticContact CD1-CD2 3.76Å; F77-F146 HydrophobicContact CB-CE1 3.85Å; F77-F146 HydrophobicContact CB-CZ 4.03Å; F77-F146 HydrophobicContact CD2-CD1 4.14Å; F77-F146 AromaticContact CD2-CE1 3.58Å; F77-F146 HydrophobicContact CD2-CE1 3.58Å; F77-F146 HydrophobicContact CE2-CD1 4.48Å; F77-F146 HydrophobicContact CE2-CE1 4.26Å; F77-F146 AromaticContact CG-CE1 3.72Å; F77-F146 HydrophobicContact CG-CE1 3.72Å; F77-F146 HydrophobicContact CG-CZ 4.4Å
78	I	91.4	Very high	81.7	Confident	39 Å²	39	39.8 Å²	39.8	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.2	-175.1	-43.4	179.3	0	0	0	108.3	L34 P36 G66 K67 I69	L34-I78 HydrophobicContact CB-CB 4.48Å; L34-I78 HydrophobicContact CB-CG2 4.31Å; L34-I78 HydrophobicContact CD2-CB 4.42Å; L34-I78 HydrophobicContact CD2-CG2 3.78Å; P36-I78 HydrophobicContact CB-CD1 4.07Å; G66-I78 CarbonylContact C-O 3.52Å; G66-I78 WeakPolarHBondContact CA-O 3.49Å; K67-I78 PolarHBondContact N-O 2.81Å; K67-I78 PolarHBondContact O-N 3.36Å; I69-I78 HydrophobicContact CD1-CD1 3.65Å; I69-I78 HydrophobicContact CD1-CG1 4.41Å
79	T	87.8	Confident	80.7	Confident	24 Å²	24	42.7 Å²	42.7	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.2	178.6	178.3	0	0	0	0	110.1	L64 W65 F77 D81	L64-T79 HydrophobicContact CD1-CG2 4.23Å; W65-T79 PolarHBondContact O-OG1 3.23Å; W65-T79 VanDerWaalsContact O-OG1 3.11Å; F77-T79 HydrophobicContact CE1-CG2 4.45Å; T79-D81 PolarHBondContact OG1-N 2.61Å; T79-D81 VanDerWaalsContact OG1-N 3.13Å
80	D	79.6	Confident	79.9	Confident	88 Å²	88	44.3 Å²	44.3	47%	0.471	23%	0.233	S	C	.	.	S	Bend	trans	-89.2	-14.1	170.8	-84.5	-35.8	0	0	0	112.8	L34 P82	L34-D80 HydrophobicContact CD2-CB 4.41Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.4Å; D80-P82 WeakPolarHBondContact O-CD 3.43Å
81	D	72.1	Confident	79	Confident	108 Å²	108	52.8 Å²	52.8	58%	0.578	27%	0.266	S	S	*	.			trans	-111.4	77.7	-179.4	-170.6	11.7	0	0	0	111	L64 T79 M83	L64-D81 WeakPolarHBondContact CD2-O 2.93Å; T79-D81 PolarHBondContact OG1-N 2.61Å; T79-D81 VanDerWaalsContact OG1-N 3.13Å; D81-M83 PolarHBondContact O-N 3.1Å
82	P	65.1	Low	78.6	Confident	68 Å²	68	53.9 Å²	53.9	44%	0.442	27%	0.271	S	S	.	.			trans	-76	106.4	173.2	30.2	-32.2	0	0	0	109.5	D80	D80-P82 WeakPolarHBondContact O-CD 3.43Å
83	M	62.6	Low	78.4	Confident	49 Å²	49	56.5 Å²	56.5	24%	0.241	29%	0.285	C	S	.	.			trans	-56	131.4	170.4	-79.1	-72	-68	0	0	110.7	Y62 L64 D81 L85 Q86	Y62-M83 HydrophobicContact CD1-CE 4.14Å; L64-M83 HydrophobicContact CD2-CG 4.35Å; D81-M83 PolarHBondContact O-N 3.1Å; M83-L85 HydrophobicContact CE-CD1 4.18Å; M83-L85 PolarHBondContact O-N 3.2Å; M83-L85 VanDerWaalsContact O-N 3.13Å; M83-Q86 HydrophobicContact CB-CG 3.96Å; M83-Q86 PolarHBondContact O-N 3.24Å
84	P	56	Low	78.2	Confident	107 Å²	107	57 Å²	57	70%	0.695	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-57	-31.8	-178.7	-25.2	32.4	0	0	0	114.1	Q86	P84-Q86 PolarHBondContact O-N 2.91Å; P84-Q86 VanDerWaalsContact O-N 3.16Å
85	L	55.7	Low	78	Confident	144 Å²	144	57.8 Å²	57.8	75%	0.754	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69	-5.1	-177.6	-73.3	154.1	0	0	0	114.2	M83	M83-L85 HydrophobicContact CE-CD1 4.18Å; M83-L85 PolarHBondContact O-N 3.2Å; M83-L85 VanDerWaalsContact O-N 3.13Å
86	Q	55.6	Low	77.5	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.051	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-115.1	-6.6	-166.9	-60.1	-172	-12.5	0	0	115.2	M83 P84 F88 S742 V744	M83-Q86 HydrophobicContact CB-CG 3.96Å; M83-Q86 PolarHBondContact O-N 3.24Å; P84-Q86 PolarHBondContact O-N 2.91Å; P84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-F88 PolarHBondContact O-N 3.47Å; Q86-S742 PolarHBondContact O-OG 3.44Å; Q86-S742 VanDerWaalsContact O-OG 3.1Å; Q86-V744 HydrophobicContact CB-CB 4.42Å; Q86-V744 HydrophobicContact CG-CB 3.93Å; Q86-V744 HydrophobicContact CG-CG1 3.57Å; Q86-V744 HydrophobicContact CG-CG2 4.44Å; Q86-V744 VanDerWaalsContact NE2-CG1 3.32Å
87	K	62.5	Low	77	Confident	119 Å²	119	62.6 Å²	62.6	52%	0.517	32%	0.324	S	S	.	.			trans	-65.2	130.1	-171.5	-71.7	-175.2	178.8	176.7	0	111.6	H89	K87-H89 PolarHBondContact O-N 3.37Å
88	F	65.1	Low	76.7	Confident	27 Å²	27	63 Å²	63	12%	0.118	33%	0.326	C	S	.	.			trans	-65.5	134.8	168.5	-75.5	-106.7	0	0	0	108.4	Q86 Y90 E97 W664	Q86-F88 PolarHBondContact O-N 3.47Å; F88-Y90 WeakPolarHBondContact CB-O 3.43Å; F88-Y90 HydrophobicContact CD1-CD1 4.49Å; F88-Y90 AromaticContact CD1-CE1 3.84Å; F88-Y90 HydrophobicContact CD1-CE1 3.84Å; F88-Y90 PolarHBondContact O-N 2.91Å; F88-E97 HydrophobicContact CB-CG 4.35Å; F88-E97 HydrophobicContact CD2-CB 3.56Å; F88-E97 HydrophobicContact CD2-CG 3.59Å; F88-E97 HydrophobicContact CE2-CB 3.73Å; F88-E97 HydrophobicContact CE2-CG 4.29Å; F88-E97 WeakPolarHBondContact CE2-O 3.3Å; F88-E97 HydrophobicContact CG-CG 4.28Å; F88-E97 PolarHBondContact N-OE1 3.3Å; F88-W664 HydrophobicContact CE1-CH2 4.14Å; F88-W664 AromaticContact CE1-CZ3 3.94Å; F88-W664 HydrophobicContact CE1-CZ3 3.94Å; F88-W664 HydrophobicContact CZ-CZ3 4.09Å
89	H	75.3	Confident	76.8	Confident	61 Å²	61	61.8 Å²	61.8	28%	0.282	32%	0.32	S	S	.	.	S	Bend	trans	-78.5	-10.8	178.9	-67.4	-70.4	0	0	0	112.9	K87 Y717 F734 F739	K87-H89 PolarHBondContact O-N 3.37Å; H89-Y717 PolarHBondContact O-OH 3.4Å; H89-F734 AromaticContact CD2-CD2 3.69Å; H89-F734 VanDerWaalsContact CE1-CB 3.49Å; H89-F734 WeakPolarHBondContact CE1-CB 3.31Å; H89-F734 AromaticContact CE1-CD1 3.83Å; H89-F734 AromaticContact CE1-CD2 3.17Å; H89-F734 WeakPolarHBondContact CE1-CD2 3.37Å; H89-F734 AromaticContact CE1-CE2 3.77Å; H89-F734 AromaticContact CE1-CG 3.21Å; H89-F734 WeakPolarHBondContact CE1-CG 3.48Å; H89-F734 AromaticContact CG-CD2 3.94Å; H89-F734 AromaticContact ND1-CD2 3.64Å; H89-F734 AromaticContact ND1-CE2 3.76Å; H89-F734 WeakPolarHBondContact NE2-CB 3.4Å; H89-F734 AromaticContact NE2-CD2 3.18Å; H89-F734 WeakPolarHBondContact NE2-CD2 3.44Å; H89-F734 AromaticContact NE2-CG 3.45Å; H89-F734 WeakPolarHBondContact NE2-CG 3.43Å; H89-F739 HydrophobicContact CB-CD2 4.3Å; H89-F739 HydrophobicContact CB-CE2 3.66Å; H89-F739 AromaticContact CD2-CD2 4Å; H89-F739 AromaticContact CG-CE2 3.92Å
90	Y	79.6	Confident	77.1	Confident	36 Å²	36	60.8 Å²	60.8	14%	0.141	31%	0.314	C	S	.	.	S	Bend	trans	-115.2	152.5	169.2	75.4	-89.9	0	0	0	110.5	F88 N92 F544 P740 F741	F88-Y90 WeakPolarHBondContact CB-O 3.43Å; F88-Y90 HydrophobicContact CD1-CD1 4.49Å; F88-Y90 AromaticContact CD1-CE1 3.84Å; F88-Y90 HydrophobicContact CD1-CE1 3.84Å; F88-Y90 PolarHBondContact O-N 2.91Å; Y90-N92 HydrophobicContact CE2-CB 4.08Å; Y90-F544 AromaticContact CD2-CD1 3.94Å; Y90-F544 HydrophobicContact CD2-CD1 3.94Å; Y90-F544 AromaticContact CD2-CE1 3.55Å; Y90-F544 HydrophobicContact CD2-CE1 3.55Å; Y90-F544 HydrophobicContact CE2-CD1 4.42Å; Y90-F544 AromaticContact CE2-CE1 3.6Å; Y90-F544 HydrophobicContact CE2-CE1 3.6Å; Y90-F544 HydrophobicContact CE2-CZ 4.5Å; Y90-P740 HydrophobicContact CD1-CB 3.92Å; Y90-P740 HydrophobicContact CD1-CG 3.96Å; Y90-P740 WeakPolarHBondContact CD1-O 3.13Å; Y90-P740 HydrophobicContact CE1-CG 4.39Å; Y90-F741 AromaticContact CE1-CD1 3.86Å; Y90-F741 HydrophobicContact CE1-CD1 3.86Å; Y90-F741 HydrophobicContact CE1-CE1 4.25Å; Y90-F741 HydrophobicContact CE1-CG 4.46Å
91	R	80.1	Confident	77.9	Confident	179 Å²	179	56.8 Å²	56.8	68%	0.675	29%	0.292	S	S	*	.			trans	-107.6	114	174	-173.2	176.1	178.6	-179.6	-0.3	110.2	D548	R91-D548 PolarHBondContact N-OD2 2.94Å
92	N	87.5	Confident	79.1	Confident	24 Å²	24	52 Å²	52	13%	0.128	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-77.2	131.5	164.6	-170.2	-56.4	0	0	0	109.1	Y90 L94 L95 Q543 F544	Y90-N92 HydrophobicContact CE2-CB 4.08Å; N92-L94 WeakPolarHBondContact OD1-CA 3.23Å; N92-L94 WeakPolarHBondContact OD1-CB 2.94Å; N92-L94 PolarHBondContact OD1-N 3.43Å; N92-L95 HydrophobicContact CB-CB 4.43Å; N92-L95 WeakPolarHBondContact CB-O 3.26Å; N92-L95 PolarHBondContact OD1-N 3.21Å; N92-Q543 CarbonylContact C-O 3.58Å; N92-Q543 VanDerWaalsContact CA-O 3.3Å; N92-Q543 WeakPolarHBondContact CA-O 3.42Å; N92-F544 HydrophobicContact CB-CE1 4.23Å
93	L	92.4	Very high	80.5	Confident	78 Å²	78	49 Å²	49	41%	0.408	25%	0.247	S	C	.	.	S	Bend	trans	-84	-15.8	-176.4	-60.1	177.8	0	0	0	113	S541 Q543 T545	L93-S541 WeakPolarHBondContact CD1-O 3.36Å; L93-Q543 PolarHBondContact N-O 3.48Å; L93-T545 HydrophobicContact CD2-CG2 4.14Å
94	L	92.8	Very high	82.1	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	24%	0.236	C	C	.	.	S	Bend	trans	-99.4	-34.3	178.5	-54.3	178.8	0	0	0	112.5	L39 K74 N92 I497 L499 F500 L542 Q543	L39-L94 HydrophobicContact CD1-CB 4.43Å; L39-L94 HydrophobicContact CD1-CD2 3.93Å; L39-L94 HydrophobicContact CD2-CD2 4.16Å; K74-L94 PolarHBondContact NZ-O 3.17Å; N92-L94 WeakPolarHBondContact OD1-CA 3.23Å; N92-L94 WeakPolarHBondContact OD1-CB 2.94Å; N92-L94 PolarHBondContact OD1-N 3.43Å; L94-I497 HydrophobicContact CD1-CG2 4.34Å; L94-L499 HydrophobicContact CD1-CD2 3.5Å; L94-L499 HydrophobicContact CD2-CD2 3.9Å; L94-L499 HydrophobicContact CG-CD2 4.35Å; L94-F500 HydrophobicContact CD1-CE2 4.02Å; L94-F500 HydrophobicContact CD1-CZ 3.73Å; L94-L542 WeakPolarHBondContact CD2-O 3.34Å; L94-L542 WeakPolarHBondContact CG-O 3.26Å; L94-Q543 HydrophobicContact CD1-CG 3.82Å; L94-Q543 HydrophobicContact CG-CG 4.5Å
95	L	91.6	Very high	84	Confident	22 Å²	22	41.7 Å²	41.7	12%	0.115	20%	0.203	C	C	.	.	S	Bend	trans	-123.4	125.3	-172.6	-58	175.2	0	0	0	109.9	F73 K74 N92 D99 P101 I497	F73-L95 HydrophobicContact CE1-CD2 3.94Å; F73-L95 HydrophobicContact CZ-CD2 4.1Å; K74-L95 HydrophobicContact CB-CD2 4.45Å; K74-L95 HydrophobicContact CD-CD2 3.82Å; N92-L95 HydrophobicContact CB-CB 4.43Å; N92-L95 WeakPolarHBondContact CB-O 3.26Å; N92-L95 PolarHBondContact OD1-N 3.21Å; L95-D99 HydrophobicContact CB-CB 4.03Å; L95-D99 HydrophobicContact CD2-CB 4.16Å; L95-P101 HydrophobicContact CD1-CG 3.54Å; L95-P101 HydrophobicContact CD2-CG 3.92Å; L95-P101 HydrophobicContact CG-CG 4.4Å; L95-I497 HydrophobicContact CD1-CD1 3.96Å; L95-I497 HydrophobicContact CD1-CG1 4.25Å
96	G	87.2	Confident	85.7	Confident	39 Å²	39	37.9 Å²	37.9	40%	0.402	18%	0.182	S	C	.	.			trans	-66.9	169.7	166.9	0	0	0	0	0	112.3	H98 D99	G96-H98 PolarHBondContact O-N 3.26Å; G96-H98 VanDerWaalsContact O-N 3.1Å; G96-D99 PolarHBondContact N-OD2 3.28Å; G96-D99 WeakPolarHBondContact O-CB 3.32Å; G96-D99 PolarHBondContact O-N 2.72Å
97	E	83.2	Confident	87.5	Confident	73 Å²	73	41.1 Å²	41.1	34%	0.341	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.4	-175.4	-63.6	-171.3	144.9	0	0	114.2	F88	F88-E97 HydrophobicContact CB-CG 4.35Å; F88-E97 HydrophobicContact CD2-CB 3.56Å; F88-E97 HydrophobicContact CD2-CG 3.59Å; F88-E97 HydrophobicContact CE2-CB 3.73Å; F88-E97 HydrophobicContact CE2-CG 4.29Å; F88-E97 WeakPolarHBondContact CE2-O 3.3Å; F88-E97 HydrophobicContact CG-CG 4.28Å; F88-E97 PolarHBondContact N-OE1 3.3Å
98	H	87.6	Confident	89	Confident	16 Å²	16	35.6 Å²	35.6	7%	0.074	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	10.4	-179.8	-54.7	-37.5	0	0	0	113	K53 L64 F77 G96	K53-H98 PolarHBondContact NZ-ND1 3.05Å; L64-H98 WeakPolarHBondContact CD1-NE2 3.44Å; F77-H98 HydrophobicContact CB-CB 3.97Å; F77-H98 HydrophobicContact CD1-CB 4.24Å; F77-H98 AromaticContact CD1-CD2 3.76Å; G96-H98 PolarHBondContact O-N 3.26Å; G96-H98 VanDerWaalsContact O-N 3.1Å
99	D	92.6	Very high	90.3	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	17%	0.171	C	C	.	.			trans	-78.8	143.3	-179.2	-71.2	-4.4	0	0	0	111.3	K74 I75 S76 L95 G96 R142	K74-D99 HydrophobicContact CD-CB 4.13Å; K74-D99 WeakPolarHBondContact CD-OD2 3.42Å; K74-D99 WeakPolarHBondContact CE-OD2 3.47Å; K74-D99 IonicContact NZ-OD2 2.75Å; K74-D99 PolarHBondContact NZ-OD2 2.98Å; I75-D99 CarbonylContact O-C 3.54Å; I75-D99 VanDerWaalsContact O-CA 3.22Å; I75-D99 WeakPolarHBondContact O-CA 3.27Å; S76-D99 WeakPolarHBondContact CA-OD1 3.4Å; S76-D99 WeakPolarHBondContact CB-OD1 3.38Å; S76-D99 PolarHBondContact OG-OD1 3.48Å; S76-D99 PolarHBondContact OG-OD2 3.5Å; L95-D99 HydrophobicContact CB-CB 4.03Å; L95-D99 HydrophobicContact CD2-CB 4.16Å; G96-D99 PolarHBondContact N-OD2 3.28Å; G96-D99 WeakPolarHBondContact O-CB 3.32Å; G96-D99 PolarHBondContact O-N 2.72Å; D99-R142 PolarHBondContact O-NH1 3.17Å
100	V	94.3	Very high	91.3	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.3	174	-178.2	0	0	0	0	108.2	K74 I75 L102 C104 I105 V144	K74-V100 CarbonylContact C-O 3.51Å; K74-V100 VanDerWaalsContact CA-O 3.31Å; K74-V100 WeakPolarHBondContact CA-O 3.33Å; K74-V100 WeakPolarHBondContact CB-O 3.39Å; I75-V100 PolarHBondContact N-O 3.19Å; I75-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.38Å; V100-C104 HydrophobicContact CG1-CB 4.25Å; V100-I105 HydrophobicContact CG1-CG1 4.01Å; V100-V144 HydrophobicContact CG2-CG2 4.08Å
101	P	96.2	Very high	91.9	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	138.1	171.2	-22.9	32.7	0	0	0	110.5	L95 T103 C104 I497	L95-P101 HydrophobicContact CD1-CG 3.54Å; L95-P101 HydrophobicContact CD2-CG 3.92Å; L95-P101 HydrophobicContact CG-CG 4.4Å; P101-T103 PolarHBondContact O-N 2.99Å; P101-C104 HydrophobicContact CB-CB 4.25Å; P101-C104 HydrophobicContact CG-CB 4.5Å; P101-C104 WeakPolarHBondContact O-CA 3.28Å; P101-C104 VanDerWaalsContact O-CB 3.26Å; P101-C104 WeakPolarHBondContact O-CB 3.21Å; P101-C104 PolarHBondContact O-N 2.99Å; P101-I497 HydrophobicContact CG-CG1 4.25Å
102	L	96.9	Very high	92.6	Very high	8 Å²	8	23 Å²	23	4%	0.042	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.7	-37.4	-179.1	-73.9	172.6	0	0	0	112.2	S71 F73 I75 V100 C104 I105	S71-L102 WeakPolarHBondContact O-CD1 3.29Å; F73-L102 WeakPolarHBondContact O-CG 3.46Å; F73-L102 PolarHBondContact O-N 2.99Å; I75-L102 HydrophobicContact CG1-CD2 4.11Å; V100-L102 PolarHBondContact O-N 3.38Å; L102-C104 PolarHBondContact O-N 3.06Å; L102-I105 HydrophobicContact CD2-CD1 3.92Å; L102-I105 WeakPolarHBondContact O-CB 3.33Å; L102-I105 PolarHBondContact O-N 3.1Å; L102-I105 VanDerWaalsContact O-N 3.09Å
103	T	95.6	Very high	92.5	Very high	5 Å²	5	25 Å²	25	3%	0.031	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-68.1	-14.5	176	39.2	0	0	0	0	114.6	P101 L175 H452 R496	P101-T103 PolarHBondContact O-N 2.99Å; T103-L175 HydrophobicContact CG2-CD2 3.7Å; T103-H452 HydrophobicContact CG2-CB 4.06Å; T103-R496 PolarHBondContact OG1-O 3.25Å
104	C	95.6	Very high	92.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-83.6	-18.3	172.6	-164.7	0	0	0	0	112.1	V100 P101 L102 E106 C138 K139 D140 R496	V100-C104 HydrophobicContact CG1-CB 4.25Å; P101-C104 HydrophobicContact CB-CB 4.25Å; P101-C104 HydrophobicContact CG-CB 4.5Å; P101-C104 WeakPolarHBondContact O-CA 3.28Å; P101-C104 VanDerWaalsContact O-CB 3.26Å; P101-C104 WeakPolarHBondContact O-CB 3.21Å; P101-C104 PolarHBondContact O-N 2.99Å; L102-C104 PolarHBondContact O-N 3.06Å; C104-E106 PolarHBondContact O-N 3.26Å; C104-C138 CarbonylContact O-C 3.56Å; C104-C138 WeakPolarHBondContact O-CA 3.27Å; C104-K139 WeakPolarHBondContact O-CG 3.48Å; C104-K139 PolarHBondContact O-N 2.95Å; C104-D140 PolarHBondContact SG-OD2 2.83Å; C104-R496 HydrophobicContact CB-CB 4.15Å; C104-R496 VanDerWaalsContact SG-CD 3.52Å
105	I	95.5	Very high	92.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.8	-178.8	-61.9	169.5	0	0	0	109.3	I75 V100 L102 I108 I136 I163 K454	I75-I105 HydrophobicContact CD1-CD1 3.39Å; I75-I105 HydrophobicContact CD1-CG1 4.45Å; I75-I105 HydrophobicContact CG1-CD1 4.09Å; V100-I105 HydrophobicContact CG1-CG1 4.01Å; L102-I105 HydrophobicContact CD2-CD1 3.92Å; L102-I105 WeakPolarHBondContact O-CB 3.33Å; L102-I105 PolarHBondContact O-N 3.1Å; L102-I105 VanDerWaalsContact O-N 3.09Å; I105-I108 HydrophobicContact CG2-CD1 3.9Å; I105-I108 HydrophobicContact CG2-CG1 3.61Å; I105-I136 HydrophobicContact CB-CG2 4.45Å; I105-I136 HydrophobicContact CD1-CG2 4.46Å; I105-I136 HydrophobicContact CG1-CG2 3.94Å; I105-I136 HydrophobicContact CG2-CG2 3.96Å; I105-I163 HydrophobicContact CD1-CG2 4.09Å; I105-K454 WeakPolarHBondContact O-CE 3.39Å; I105-K454 PolarHBondContact O-NZ 2.89Å
106	E	92.7	Very high	92	Very high	64 Å²	64	44.5 Å²	44.5	30%	0.299	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-59	175.1	-170.3	175.3	-118.5	0	0	111.4	C104 Y137 K139 K350 K454	C104-E106 PolarHBondContact O-N 3.26Å; E106-Y137 WeakPolarHBondContact CA-O 3.37Å; E106-Y137 VanDerWaalsContact CB-O 3.26Å; E106-Y137 WeakPolarHBondContact CB-O 3.45Å; E106-Y137 PolarHBondContact N-O 3.15Å; E106-K139 HydrophobicContact CB-CG 3.99Å; E106-K139 HydrophobicContact CG-CG 4.45Å; E106-K350 IonicContact OE1-NZ 3.37Å; E106-K350 PolarHBondContact OE1-NZ 3.08Å; E106-K350 IonicContact OE2-NZ 2.67Å; E106-K350 PolarHBondContact OE2-NZ 3.28Å; E106-K454 PolarHBondContact O-NZ 3.22Å
107	Q	92.4	Very high	92.3	Very high	79 Å²	79	48.1 Å²	48.1	37%	0.369	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.4	-172.3	-172	-178.9	45.8	0	0	109.7	V109 V120 Y137	Q107-V109 HydrophobicContact CG-CG2 4.3Å; Q107-V120 HydrophobicContact CG-CG1 3.68Å; Q107-Y137 HydrophobicContact CB-CD2 4.31Å; Q107-Y137 PolarHBondContact N-O 3.41Å; Q107-Y137 PolarHBondContact O-N 3.3Å
108	I	94.7	Very high	92.7	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.3	179.3	-61.8	152.6	0	0	0	107.8	I105 V120 L121 L134 I163 A164 S167	I105-I108 HydrophobicContact CG2-CD1 3.9Å; I105-I108 HydrophobicContact CG2-CG1 3.61Å; I108-V120 CarbonylContact O-C 3.48Å; I108-V120 WeakPolarHBondContact O-CA 3.48Å; I108-L121 HydrophobicContact CB-CB 4.43Å; I108-L121 HydrophobicContact CG2-CB 4.23Å; I108-L121 HydrophobicContact CG2-CD1 4.45Å; I108-L121 PolarHBondContact O-N 3.48Å; I108-L134 HydrophobicContact CG2-CD1 3.46Å; I108-L134 VanDerWaalsContact CG2-CD1 3.46Å; I108-I163 HydrophobicContact CD1-CG2 3.64Å; I108-I163 HydrophobicContact CG1-CG2 4.14Å; I108-A164 VanDerWaalsContact CD1-CA 3.5Å; I108-A164 HydrophobicContact CD1-CB 4.05Å; I108-S167 WeakPolarHBondContact CD1-OG 3.44Å
109	V	93.2	Very high	93	Very high	13 Å²	13	54.1 Å²	54.1	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.6	178.2	-173.3	0	0	0	0	108.8	Q107 V111 V120 L134 I135 Y137	Q107-V109 HydrophobicContact CG-CG2 4.3Å; V109-V111 HydrophobicContact CG1-CG2 4.23Å; V109-V120 HydrophobicContact CG2-CG2 4.22Å; V109-L134 WeakPolarHBondContact O-CA 3.25Å; V109-I135 HydrophobicContact CB-CB 4.23Å; V109-I135 PolarHBondContact N-O 3.18Å; V109-I135 PolarHBondContact O-N 3.25Å; V109-Y137 HydrophobicContact CG2-CD2 4.27Å; V109-Y137 HydrophobicContact CG2-CE2 3.85Å
110	T	95.3	Very high	93	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136	171.9	50.2	0	0	0	0	109.7	Q118 K119 L121 L127 P131 E133 L134 C160	T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 VanDerWaalsContact O-CA 3.27Å; T110-Q118 WeakPolarHBondContact O-CA 3.4Å; T110-K119 PolarHBondContact N-O 3.27Å; T110-K119 PolarHBondContact O-N 3.04Å; T110-K119 PolarHBondContact OG1-O 3.07Å; T110-K119 VanDerWaalsContact OG1-O 3.13Å; T110-L121 HydrophobicContact CG2-CD1 3.38Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; T110-L127 HydrophobicContact CG2-CD2 4.29Å; T110-P131 HydrophobicContact CG2-CB 4.23Å; T110-E133 WeakPolarHBondContact CA-O 3.44Å; T110-L134 HydrophobicContact CG2-CD1 4.17Å; T110-C160 HydrophobicContact CG2-CB 3.96Å
111	V	92.7	Very high	92.9	Very high	18 Å²	18	57 Å²	57	11%	0.109	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.3	-178.6	-176.1	0	0	0	0	109.1	V109 K117 Q118 P131 T132 E133 I135	V109-V111 HydrophobicContact CG1-CG2 4.23Å; V111-K117 CarbonylContact C-O 3.59Å; V111-K117 WeakPolarHBondContact CA-O 3.48Å; V111-Q118 HydrophobicContact CG2-CB 4.05Å; V111-P131 CarbonylContact O-C 3.4Å; V111-P131 WeakPolarHBondContact O-CA 3.12Å; V111-T132 PolarHBondContact O-N 3.34Å; V111-T132 PolarHBondContact O-OG1 2.79Å; V111-E133 HydrophobicContact CB-CB 4.18Å; V111-E133 PolarHBondContact N-O 3.15Å; V111-E133 PolarHBondContact O-N 3.21Å; V111-E133 VanDerWaalsContact O-N 3.15Å; V111-I135 HydrophobicContact CG2-CD1 4.22Å
112	N	93.7	Very high	92.5	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.7	166	-179.8	-50.4	0	0	0	108	H114 K115 R116 K117 F129 N130 T132	N112-H114 PolarHBondContact OD1-N 3.27Å; N112-K115 HydrophobicContact CB-CB 4.43Å; N112-K115 PolarHBondContact O-N 3.11Å; N112-K115 WeakPolarHBondContact OD1-CB 3.41Å; N112-K115 WeakPolarHBondContact OD1-CG 3.43Å; N112-K115 PolarHBondContact OD1-N 3.36Å; N112-R116 WeakPolarHBondContact O-CA 3.23Å; N112-R116 PolarHBondContact O-N 3.01Å; N112-K117 PolarHBondContact N-O 3.43Å; N112-K117 PolarHBondContact O-N 3.26Å; N112-F129 HydrophobicContact CB-CD2 3.52Å; N112-F129 HydrophobicContact CB-CE2 3.83Å; N112-F129 HydrophobicContact CB-CG 4.22Å; N112-N130 PolarHBondContact ND2-O 3.44Å; N112-T132 WeakPolarHBondContact CA-OG1 3.43Å
113	D	85.7	Confident	92	Very high	64 Å²	64	59.3 Å²	59.3	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-43.1	-175.3	-62.2	-51.3	0	0	0	111.8	K115 R116 T132 R147	D113-K115 VanDerWaalsContact C-N 3.26Å; D113-K115 PolarHBondContact O-N 3.43Å; D113-R116 PolarHBondContact O-N 3.14Å; D113-T132 PolarHBondContact N-OG1 2.9Å; D113-T132 VanDerWaalsContact N-OG1 3.11Å; D113-T132 PolarHBondContact OD2-OG1 3.28Å; D113-R147 IonicContact OD2-CZ 3.86Å; D113-R147 IonicContact OD2-NH2 2.72Å; D113-R147 PolarHBondContact OD2-NH2 2.96Å
114	H	89.6	Confident	91.6	Very high	166 Å²	166	65.3 Å²	65.3	77%	0.769	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.8	-179.2	-54.8	-60.2	0	0	0	113	N112	N112-H114 PolarHBondContact OD1-N 3.27Å
115	K	89.7	Confident	91.3	Very high	122 Å²	122	69.1 Å²	69.1	53%	0.53	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.9	178.2	-63.9	-174.4	179.3	-176.6	0	112.6	N112 D113 K117 F129	N112-K115 HydrophobicContact CB-CB 4.43Å; N112-K115 PolarHBondContact O-N 3.11Å; N112-K115 WeakPolarHBondContact OD1-CB 3.41Å; N112-K115 WeakPolarHBondContact OD1-CG 3.43Å; N112-K115 PolarHBondContact OD1-N 3.36Å; D113-K115 VanDerWaalsContact C-N 3.26Å; D113-K115 PolarHBondContact O-N 3.43Å; K115-K117 HydrophobicContact CB-CB 4.45Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.07Å; K115-K117 WeakPolarHBondContact O-CG 3.44Å; K115-K117 PolarHBondContact O-N 3.08Å; K115-F129 HydrophobicContact CD-CB 4.41Å
116	R	88.2	Confident	91.1	Very high	234 Å²	234	77.5 Å²	77.5	88%	0.883	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	44.1	-170.7	-61.1	-179.3	178.7	-100.2	1.3	112.2	N112 D113	N112-R116 WeakPolarHBondContact O-CA 3.23Å; N112-R116 PolarHBondContact O-N 3.01Å; D113-R116 PolarHBondContact O-N 3.14Å
117	K	92	Very high	91	Very high	116 Å²	116	74.7 Å²	74.7	50%	0.504	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.2	179.7	-70.3	-175.9	-176.8	-173.3	0	109.7	V111 N112 K115 F129	V111-K117 CarbonylContact C-O 3.59Å; V111-K117 WeakPolarHBondContact CA-O 3.48Å; N112-K117 PolarHBondContact N-O 3.43Å; N112-K117 PolarHBondContact O-N 3.26Å; K115-K117 HydrophobicContact CB-CB 4.45Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.07Å; K115-K117 WeakPolarHBondContact O-CG 3.44Å; K115-K117 PolarHBondContact O-N 3.08Å; K117-F129 HydrophobicContact CB-CD1 4.16Å; K117-F129 HydrophobicContact CB-CE1 4.05Å; K117-F129 HydrophobicContact CB-CZ 4.47Å; K117-F129 HydrophobicContact CD-CD1 4.34Å
118	Q	92	Very high	91	Very high	151 Å²	151	80.4 Å²	80.4	71%	0.706	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.6	167.6	65.7	-178.4	11.5	0	0	109.8	T110 V111	T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 VanDerWaalsContact O-CA 3.27Å; T110-Q118 WeakPolarHBondContact O-CA 3.4Å; V111-Q118 HydrophobicContact CG2-CB 4.05Å
119	K	93.9	Very high	91	Very high	64 Å²	64	81.1 Å²	81.1	28%	0.278	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	126	177.8	-179.9	173	177	-179.5	0	110.6	T110 L121 K126 L127 F129	T110-K119 PolarHBondContact N-O 3.27Å; T110-K119 PolarHBondContact O-N 3.04Å; T110-K119 PolarHBondContact OG1-O 3.07Å; T110-K119 VanDerWaalsContact OG1-O 3.13Å; K119-L121 HydrophobicContact CD-CD2 4.2Å; K119-L121 HydrophobicContact CG-CD2 4.36Å; K119-L121 PolarHBondContact O-N 3.14Å; K119-K126 PolarHBondContact NZ-O 3.47Å; K119-L127 HydrophobicContact CD-CD1 4.22Å; K119-F129 HydrophobicContact CB-CE1 3.96Å; K119-F129 HydrophobicContact CB-CZ 4.01Å
120	V	93.5	Very high	91	Very high	73 Å²	73	83.4 Å²	83.4	44%	0.442	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121	163.5	-177.3	0	0	0	0	108.3	Q107 I108 V109 Q125	Q107-V120 HydrophobicContact CG-CG1 3.68Å; I108-V120 CarbonylContact O-C 3.48Å; I108-V120 WeakPolarHBondContact O-CA 3.48Å; V109-V120 HydrophobicContact CG2-CG2 4.22Å; V120-Q125 PolarHBondContact O-OE1 2.99Å
121	L	91.8	Very high	91.1	Very high	3 Å²	3	83.7 Å²	83.7	2%	0.016	39%	0.392	C	S	.	.			trans	-90.9	123.6	179.6	-73.7	-174.7	0	0	0	111.1	I108 T110 K119 L127 C160 A164	I108-L121 HydrophobicContact CB-CB 4.43Å; I108-L121 HydrophobicContact CG2-CB 4.23Å; I108-L121 HydrophobicContact CG2-CD1 4.45Å; I108-L121 PolarHBondContact O-N 3.48Å; T110-L121 HydrophobicContact CG2-CD1 3.38Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; K119-L121 HydrophobicContact CD-CD2 4.2Å; K119-L121 HydrophobicContact CG-CD2 4.36Å; K119-L121 PolarHBondContact O-N 3.14Å; L121-L127 HydrophobicContact CD2-CB 4.45Å; L121-L127 HydrophobicContact CD2-CD1 4.14Å; L121-C160 HydrophobicContact CD1-CB 3.92Å; L121-A164 HydrophobicContact CB-CB 3.83Å; L121-A164 HydrophobicContact CD1-CB 4.4Å
122	G	88.4	Confident	91.1	Very high	11 Å²	11	83.6 Å²	83.6	11%	0.113	39%	0.392	C	S	.	.			trans	-103.3	177.4	166.3	0	0	0	0	0	112.8
123	P	85.9	Confident	91.1	Very high	49 Å²	49	83.5 Å²	83.5	32%	0.318	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	146.1	-179.3	29	-32.1	0	0	0	109.9	Q125 Q168	P123-Q125 PolarHBondContact O-N 3.27Å; P123-Q168 HydrophobicContact CB-CB 4.2Å; P123-Q168 HydrophobicContact CG-CB 4.22Å
124	N	86.6	Confident	91.5	Very high	130 Å²	130	80.4 Å²	80.4	70%	0.695	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	11.6	179.1	-58.4	-35.8	0	0	0	115.5	H165	N124-H165 PolarHBondContact OD1-CD2 3.48Å
125	Q	89.7	Confident	91.7	Very high	81 Å²	81	73.4 Å²	73.4	38%	0.379	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-79.8	147	176.8	-66.5	-169	3.4	0	0	111.4	V120 P123 L161	V120-Q125 PolarHBondContact O-OE1 2.99Å; P123-Q125 PolarHBondContact O-N 3.27Å; Q125-L161 WeakPolarHBondContact O-CD2 3.48Å
126	K	90.6	Very high	91.8	Very high	178 Å²	178	67.7 Å²	67.7	77%	0.774	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-87.2	142	170.6	-62.2	-177.3	-178.8	-179.9	0	110.7	K119	K119-K126 PolarHBondContact NZ-O 3.47Å
127	L	92.3	Very high	92	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-102.9	117.8	171.2	-172.7	57.8	0	0	0	109.8	T110 K119 L121 F129 P131 K157 L161	T110-L127 HydrophobicContact CG2-CD2 4.29Å; K119-L127 HydrophobicContact CD-CD1 4.22Å; L121-L127 HydrophobicContact CD2-CB 4.45Å; L121-L127 HydrophobicContact CD2-CD1 4.14Å; L127-F129 HydrophobicContact CD1-CD1 3.96Å; L127-F129 HydrophobicContact CD1-CD2 4.16Å; L127-F129 HydrophobicContact CD1-CE1 3.62Å; L127-F129 HydrophobicContact CD1-CE2 3.85Å; L127-F129 HydrophobicContact CD1-CG 4.24Å; L127-F129 HydrophobicContact CD1-CZ 3.58Å; L127-F129 WeakPolarHBondContact CG-O 3.49Å; L127-P131 HydrophobicContact CD2-CB 4.3Å; L127-P131 HydrophobicContact CD2-CG 4.02Å; L127-K157 HydrophobicContact CD2-CG 4.3Å; L127-K157 WeakPolarHBondContact O-CE 3.33Å; L127-K157 PolarHBondContact O-NZ 3.09Å; L127-K157 VanDerWaalsContact O-NZ 3.1Å; L127-L161 HydrophobicContact CB-CD2 4.12Å
128	K	91.3	Very high	92.1	Very high	200 Å²	200	53.9 Å²	53.9	87%	0.87	26%	0.263	S	S	*	.			trans	-88.9	-0.9	-173.7	-65.4	-175.8	179	-179.4	0	114
129	F	94	Very high	92.1	Very high	16 Å²	16	46.8 Å²	46.8	7%	0.07	23%	0.23	C	C	.	.	S	Bend	trans	-134.8	164.5	178.4	59.9	-100.4	0	0	0	110	N112 K115 K117 K119 L127	N112-F129 HydrophobicContact CB-CD2 3.52Å; N112-F129 HydrophobicContact CB-CE2 3.83Å; N112-F129 HydrophobicContact CB-CG 4.22Å; K115-F129 HydrophobicContact CD-CB 4.41Å; K117-F129 HydrophobicContact CB-CD1 4.16Å; K117-F129 HydrophobicContact CB-CE1 4.05Å; K117-F129 HydrophobicContact CB-CZ 4.47Å; K117-F129 HydrophobicContact CD-CD1 4.34Å; K119-F129 HydrophobicContact CB-CE1 3.96Å; K119-F129 HydrophobicContact CB-CZ 4.01Å; L127-F129 HydrophobicContact CD1-CD1 3.96Å; L127-F129 HydrophobicContact CD1-CD2 4.16Å; L127-F129 HydrophobicContact CD1-CE1 3.62Å; L127-F129 HydrophobicContact CD1-CE2 3.85Å; L127-F129 HydrophobicContact CD1-CG 4.24Å; L127-F129 HydrophobicContact CD1-CZ 3.58Å; L127-F129 WeakPolarHBondContact CG-O 3.49Å
130	N	94.9	Very high	92.1	Very high	61 Å²	61	44 Å²	44	33%	0.326	22%	0.218	S	C	.	.			trans	-87.4	121	174	-64.6	-14.1	0	0	0	107.7	N112 P153	N112-N130 PolarHBondContact ND2-O 3.44Å; N130-P153 HydrophobicContact CB-CB 4Å
131	P	95.7	Very high	91.9	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.039	20%	0.198	C	C	.	.			trans	-69.2	134.4	-177.7	28.7	-32.5	0	0	0	110.2	T110 V111 L127 F148 A156	T110-P131 HydrophobicContact CG2-CB 4.23Å; V111-P131 CarbonylContact O-C 3.4Å; V111-P131 WeakPolarHBondContact O-CA 3.12Å; L127-P131 HydrophobicContact CD2-CB 4.3Å; L127-P131 HydrophobicContact CD2-CG 4.02Å; P131-F148 HydrophobicContact CB-CD2 4.24Å; P131-F148 HydrophobicContact CB-CE2 4.34Å; P131-F148 HydrophobicContact CG-CD2 4.23Å; P131-F148 HydrophobicContact CG-CE2 4.28Å; P131-A156 HydrophobicContact CG-CB 4.3Å
132	T	94.7	Very high	91.8	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.098	20%	0.201	C	C	.	.	S	Bend	trans	-92.5	-25.5	167	57.5	0	0	0	0	111	V111 N112 D113 R147 F148	V111-T132 PolarHBondContact O-N 3.34Å; V111-T132 PolarHBondContact O-OG1 2.79Å; N112-T132 WeakPolarHBondContact CA-OG1 3.43Å; D113-T132 PolarHBondContact N-OG1 2.9Å; D113-T132 VanDerWaalsContact N-OG1 3.11Å; D113-T132 PolarHBondContact OD2-OG1 3.28Å; T132-R147 CarbonylContact O-C 3.35Å; T132-R147 VanDerWaalsContact O-CA 3.31Å; T132-R147 WeakPolarHBondContact O-CA 3.33Å; T132-F148 PolarHBondContact O-N 3.17Å
133	E	92.6	Very high	91.8	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.4	179.9	175.4	177.9	-168.1	0	0	111.5	T110 V111 I135 R145 F146 R147	T110-E133 WeakPolarHBondContact CA-O 3.44Å; V111-E133 HydrophobicContact CB-CB 4.18Å; V111-E133 PolarHBondContact N-O 3.15Å; V111-E133 PolarHBondContact O-N 3.21Å; V111-E133 VanDerWaalsContact O-N 3.15Å; E133-I135 HydrophobicContact CG-CG1 3.97Å; E133-R145 IonicContact OE1-CZ 3.29Å; E133-R145 IonicContact OE1-NE 3.54Å; E133-R145 PolarHBondContact OE1-NE 3.35Å; E133-R145 IonicContact OE1-NH2 3.11Å; E133-R145 PolarHBondContact OE1-NH2 2.89Å; E133-R145 IonicContact OE2-NH2 2.66Å; E133-F146 CarbonylContact C-O 3.21Å; E133-F146 VanDerWaalsContact CA-O 3.26Å; E133-F146 WeakPolarHBondContact CA-O 3.45Å; E133-F146 WeakPolarHBondContact CG-O 3.42Å; E133-R147 HydrophobicContact CB-CG 4.15Å; E133-R147 HydrophobicContact CG-CG 4.16Å
134	L	94.7	Very high	92	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.9	173.8	170.3	66.7	0	0	0	108.8	L68 I108 V109 T110 I136 R145 F146 F148 I163	L68-L134 HydrophobicContact CD2-CD2 4.02Å; I108-L134 HydrophobicContact CG2-CD1 3.46Å; I108-L134 VanDerWaalsContact CG2-CD1 3.46Å; V109-L134 WeakPolarHBondContact O-CA 3.25Å; T110-L134 HydrophobicContact CG2-CD1 4.17Å; L134-I136 HydrophobicContact CD1-CG1 4.32Å; L134-I136 HydrophobicContact CD2-CD1 4.2Å; L134-I136 HydrophobicContact CD2-CG1 4.43Å; L134-I136 HydrophobicContact CG-CD1 4.39Å; L134-I136 HydrophobicContact CG-CG1 4.08Å; L134-R145 CarbonylContact O-C 3.49Å; L134-R145 WeakPolarHBondContact O-CA 3.29Å; L134-F146 HydrophobicContact CB-CB 4.32Å; L134-F146 HydrophobicContact CD2-CD2 4.19Å; L134-F146 PolarHBondContact N-O 3.47Å; L134-F146 PolarHBondContact O-N 3.14Å; L134-F148 HydrophobicContact CB-CE2 3.63Å; L134-F148 HydrophobicContact CB-CZ 3.8Å; L134-F148 HydrophobicContact CD2-CZ 4.04Å; L134-I163 HydrophobicContact CD2-CD1 3.89Å
135	I	92.3	Very high	92.2	Very high	19 Å²	19	36.5 Å²	36.5	10%	0.097	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.4	177.5	-49.9	175.2	0	0	0	107.9	V109 V111 E133 Y137 I143 R145	V109-I135 HydrophobicContact CB-CB 4.23Å; V109-I135 PolarHBondContact N-O 3.18Å; V109-I135 PolarHBondContact O-N 3.25Å; V111-I135 HydrophobicContact CG2-CD1 4.22Å; E133-I135 HydrophobicContact CG-CG1 3.97Å; I135-Y137 HydrophobicContact CB-CE2 4.38Å; I135-Y137 HydrophobicContact CG2-CD2 4.15Å; I135-Y137 HydrophobicContact CG2-CE2 3.54Å; I135-I143 HydrophobicContact CG2-CG2 3.5Å; I135-I143 VanDerWaalsContact CG2-CG2 3.5Å; I135-R145 HydrophobicContact CG1-CG 4.31Å; I135-R145 HydrophobicContact CG2-CG 4.16Å
136	I	93.3	Very high	92.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.4	-178.1	-54.1	-178	0	0	0	108.1	I75 I105 L134 I143 V144 F146	I75-I136 HydrophobicContact CD1-CD1 3.48Å; I75-I136 VanDerWaalsContact CD1-CD1 3.48Å; I105-I136 HydrophobicContact CB-CG2 4.45Å; I105-I136 HydrophobicContact CD1-CG2 4.46Å; I105-I136 HydrophobicContact CG1-CG2 3.94Å; I105-I136 HydrophobicContact CG2-CG2 3.96Å; L134-I136 HydrophobicContact CD1-CG1 4.32Å; L134-I136 HydrophobicContact CD2-CD1 4.2Å; L134-I136 HydrophobicContact CD2-CG1 4.43Å; L134-I136 HydrophobicContact CG-CD1 4.39Å; L134-I136 HydrophobicContact CG-CG1 4.08Å; I136-I143 CarbonylContact O-C 3.53Å; I136-I143 VanDerWaalsContact O-CA 3.29Å; I136-I143 WeakPolarHBondContact O-CA 3.38Å; I136-V144 HydrophobicContact CB-CB 4.38Å; I136-V144 PolarHBondContact N-O 3.37Å; I136-V144 PolarHBondContact O-N 3.06Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 4.04Å
137	Y	92	Very high	92.4	Very high	59 Å²	59	27.1 Å²	27.1	23%	0.231	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.7	170.3	-64.5	-96.6	0	0	0	108.3	E106 Q107 V109 I135 I143 V354	E106-Y137 WeakPolarHBondContact CA-O 3.37Å; E106-Y137 VanDerWaalsContact CB-O 3.26Å; E106-Y137 WeakPolarHBondContact CB-O 3.45Å; E106-Y137 PolarHBondContact N-O 3.15Å; Q107-Y137 HydrophobicContact CB-CD2 4.31Å; Q107-Y137 PolarHBondContact N-O 3.41Å; Q107-Y137 PolarHBondContact O-N 3.3Å; V109-Y137 HydrophobicContact CG2-CD2 4.27Å; V109-Y137 HydrophobicContact CG2-CE2 3.85Å; I135-Y137 HydrophobicContact CB-CE2 4.38Å; I135-Y137 HydrophobicContact CG2-CD2 4.15Å; I135-Y137 HydrophobicContact CG2-CE2 3.54Å; Y137-I143 HydrophobicContact CD1-CD1 3.91Å; Y137-I143 HydrophobicContact CD1-CG1 3.74Å; Y137-I143 HydrophobicContact CE1-CD1 3.49Å; Y137-I143 VanDerWaalsContact CE1-CD1 3.49Å; Y137-I143 HydrophobicContact CE1-CG1 3.85Å; Y137-I143 HydrophobicContact CE1-CG2 4.36Å; Y137-V354 HydrophobicContact CD1-CG1 4.4Å
138	C	93.5	Very high	92.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	153.4	-178.9	-60.9	0	0	0	0	110.9	C104 D140 F141 R142 K350	C104-C138 CarbonylContact O-C 3.56Å; C104-C138 WeakPolarHBondContact O-CA 3.27Å; C138-D140 WeakPolarHBondContact CB-OD1 3.43Å; C138-D140 PolarHBondContact O-N 3.22Å; C138-F141 PolarHBondContact O-N 3.27Å; C138-R142 HydrophobicContact CB-CB 3.93Å; C138-R142 WeakPolarHBondContact CB-O 3.47Å; C138-R142 PolarHBondContact N-O 3.2Å; C138-K350 VanDerWaalsContact O-CE 3.29Å; C138-K350 WeakPolarHBondContact O-CE 3.36Å; C138-K350 PolarHBondContact O-NZ 3.36Å
139	K	93.3	Very high	92.6	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.013	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15	177	-63.7	-176.6	175.8	177.7	0	113.2	C104 E106 C450 N451 E459 Y492 R496	C104-K139 WeakPolarHBondContact O-CG 3.48Å; C104-K139 PolarHBondContact O-N 2.95Å; E106-K139 HydrophobicContact CB-CG 3.99Å; E106-K139 HydrophobicContact CG-CG 4.45Å; K139-C450 PolarHBondContact NZ-O 3.04Å; K139-N451 PolarHBondContact NZ-O 2.89Å; K139-E459 IonicContact NZ-OE1 3.17Å; K139-Y492 PolarHBondContact O-OH 3.48Å; K139-R496 VanDerWaalsContact CB-NH1 3.3Å; K139-R496 VanDerWaalsContact CD-NH1 3.25Å; K139-R496 PolarHBondContact O-NH2 2.77Å
140	D	92.1	Very high	92.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.027	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	20.8	176.6	63.2	6.8	0	0	0	113.6	C104 C138 R142 W664	C104-D140 PolarHBondContact SG-OD2 2.83Å; C138-D140 WeakPolarHBondContact CB-OD1 3.43Å; C138-D140 PolarHBondContact O-N 3.22Å; D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 VanDerWaalsContact CG-NE 3.33Å; D140-R142 PolarHBondContact O-N 3.11Å; D140-R142 WeakPolarHBondContact OD1-CG 3.4Å; D140-R142 PolarHBondContact OD1-N 3.25Å; D140-R142 IonicContact OD1-NE 2.85Å; D140-R142 PolarHBondContact OD1-NE 2.95Å; D140-R142 VanDerWaalsContact OD1-NE 3.15Å; D140-R142 IonicContact OD2-CZ 3.89Å; D140-R142 IonicContact OD2-NE 2.73Å; D140-R142 PolarHBondContact OD2-NE 2.9Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 2.9Å; D140-W664 PolarHBondContact O-NE1 3.33Å
141	F	91.2	Very high	92.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.018	12%	0.116	C	C	.	.	S	Bend	trans	76	-1.9	179.3	-57.2	-107.6	0	0	0	116	C138 F346 K350 C353 V354 Y661	C138-F141 PolarHBondContact O-N 3.27Å; F141-F346 AromaticContact CE2-CE2 3.99Å; F141-F346 HydrophobicContact CE2-CE2 3.99Å; F141-F346 AromaticContact CE2-CZ 3.94Å; F141-F346 HydrophobicContact CE2-CZ 3.94Å; F141-F346 AromaticContact CZ-CE2 3.62Å; F141-F346 HydrophobicContact CZ-CE2 3.62Å; F141-F346 AromaticContact CZ-CZ 3.86Å; F141-F346 HydrophobicContact CZ-CZ 3.86Å; F141-K350 HydrophobicContact CD1-CG 3.91Å; F141-K350 HydrophobicContact CE1-CB 3.95Å; F141-K350 HydrophobicContact CE1-CG 3.81Å; F141-K350 HydrophobicContact CZ-CB 4.38Å; F141-K350 HydrophobicContact CZ-CG 4.36Å; F141-C353 HydrophobicContact CD1-CB 3.82Å; F141-C353 HydrophobicContact CE1-CB 3.77Å; F141-V354 HydrophobicContact CB-CG2 4.17Å; F141-V354 HydrophobicContact CD1-CG2 3.81Å; F141-V354 HydrophobicContact CG-CG2 4.42Å; F141-Y661 HydrophobicContact CE1-CD1 4.07Å; F141-Y661 AromaticContact CE2-CD1 3.76Å; F141-Y661 HydrophobicContact CE2-CD1 3.76Å; F141-Y661 HydrophobicContact CE2-CE1 4.29Å; F141-Y661 AromaticContact CZ-CD1 3.4Å; F141-Y661 HydrophobicContact CZ-CD1 3.4Å; F141-Y661 VanDerWaalsContact CZ-CD1 3.4Å; F141-Y661 HydrophobicContact CZ-CE1 4.02Å; F141-Y661 HydrophobicContact CZ-CG 4.38Å
142	R	89.2	Confident	92.3	Very high	19 Å²	19	26.7 Å²	26.7	7%	0.072	13%	0.133	C	C	.	.			trans	-69.9	141.1	172.4	-60.8	-176.6	-75.2	172	-7.8	111.7	D99 C138 D140 V144 W664 N746	D99-R142 PolarHBondContact O-NH1 3.17Å; C138-R142 HydrophobicContact CB-CB 3.93Å; C138-R142 WeakPolarHBondContact CB-O 3.47Å; C138-R142 PolarHBondContact N-O 3.2Å; D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 VanDerWaalsContact CG-NE 3.33Å; D140-R142 PolarHBondContact O-N 3.11Å; D140-R142 WeakPolarHBondContact OD1-CG 3.4Å; D140-R142 PolarHBondContact OD1-N 3.25Å; D140-R142 IonicContact OD1-NE 2.85Å; D140-R142 PolarHBondContact OD1-NE 2.95Å; D140-R142 VanDerWaalsContact OD1-NE 3.15Å; D140-R142 IonicContact OD2-CZ 3.89Å; D140-R142 IonicContact OD2-NE 2.73Å; D140-R142 PolarHBondContact OD2-NE 2.9Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 2.9Å; R142-V144 HydrophobicContact CB-CG2 4.46Å; R142-W664 HydrophobicContact CG-CB 4.2Å; R142-W664 HydrophobicContact CG-CD2 3.56Å; R142-W664 HydrophobicContact CG-CE3 4.21Å; R142-W664 HydrophobicContact CG-CG 3.53Å; R142-W664 HydrophobicContact CG-CZ2 4.35Å; R142-N746 CarbonylContact C-O 3.59Å; R142-N746 WeakPolarHBondContact CA-O 3.38Å; R142-N746 HydrophobicContact CB-CB 4.44Å; R142-N746 HydrophobicContact CG-CB 4.03Å
143	I	88.3	Confident	92.3	Very high	20 Å²	20	29.2 Å²	29.2	10%	0.103	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.3	157.8	-53.7	177.9	0	0	0	108.4	I135 I136 Y137 R145 V354 N746 L747	I135-I143 HydrophobicContact CG2-CG2 3.5Å; I135-I143 VanDerWaalsContact CG2-CG2 3.5Å; I136-I143 CarbonylContact O-C 3.53Å; I136-I143 VanDerWaalsContact O-CA 3.29Å; I136-I143 WeakPolarHBondContact O-CA 3.38Å; Y137-I143 HydrophobicContact CD1-CD1 3.91Å; Y137-I143 HydrophobicContact CD1-CG1 3.74Å; Y137-I143 HydrophobicContact CE1-CD1 3.49Å; Y137-I143 VanDerWaalsContact CE1-CD1 3.49Å; Y137-I143 HydrophobicContact CE1-CG1 3.85Å; Y137-I143 HydrophobicContact CE1-CG2 4.36Å; I143-R145 HydrophobicContact CG2-CG 4.16Å; I143-V354 HydrophobicContact CD1-CG1 3.48Å; I143-V354 VanDerWaalsContact CD1-CG1 3.48Å; I143-V354 HydrophobicContact CG1-CG1 3.73Å; I143-N746 CarbonylContact C-O 3.56Å; I143-N746 VanDerWaalsContact C-O 3.3Å; I143-N746 PolarHBondContact N-O 2.88Å; I143-N746 CarbonylContact O-C 3.5Å; I143-N746 VanDerWaalsContact O-C 3.29Å; I143-L747 HydrophobicContact CB-CD1 3.71Å; I143-L747 HydrophobicContact CD1-CD1 3.42Å; I143-L747 VanDerWaalsContact CD1-CD1 3.42Å; I143-L747 HydrophobicContact CG1-CD1 3.36Å
144	V	89.4	Confident	92.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.4	176.8	-169.3	0	0	0	0	109.5	V100 I136 R142 F146	V100-V144 HydrophobicContact CG2-CG2 4.08Å; I136-V144 HydrophobicContact CB-CB 4.38Å; I136-V144 PolarHBondContact N-O 3.37Å; I136-V144 PolarHBondContact O-N 3.06Å; R142-V144 HydrophobicContact CB-CG2 4.46Å; V144-F146 HydrophobicContact CB-CE2 4.31Å; V144-F146 HydrophobicContact CG1-CD2 4.18Å; V144-F146 HydrophobicContact CG1-CE1 4.19Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.42Å; V144-F146 VanDerWaalsContact CG1-CZ 3.42Å
145	R	90.3	Very high	92.5	Very high	64 Å²	64	36.4 Å²	36.4	24%	0.242	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.5	-177.7	-64.8	179.4	71.8	-177.4	3.3	110.4	C54 E133 L134 I135 I143	C54-R145 HydrophobicContact CB-CB 3.9Å; C54-R145 PolarHBondContact N-O 3.05Å; E133-R145 IonicContact OE1-CZ 3.29Å; E133-R145 IonicContact OE1-NE 3.54Å; E133-R145 PolarHBondContact OE1-NE 3.35Å; E133-R145 IonicContact OE1-NH2 3.11Å; E133-R145 PolarHBondContact OE1-NH2 2.89Å; E133-R145 IonicContact OE2-NH2 2.66Å; L134-R145 CarbonylContact O-C 3.49Å; L134-R145 WeakPolarHBondContact O-CA 3.29Å; I135-R145 HydrophobicContact CG1-CG 4.31Å; I135-R145 HydrophobicContact CG2-CG 4.16Å; I143-R145 HydrophobicContact CG2-CG 4.16Å
146	F	93.3	Very high	92.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.6	176.5	-62.6	-71.6	0	0	0	110.3	V51 R52 K53 L68 F77 E133 L134 I136 V144	V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.79Å; V51-F146 HydrophobicContact CG1-CG 4.11Å; R52-F146 CarbonylContact O-C 3.6Å; R52-F146 VanDerWaalsContact O-CA 3.25Å; R52-F146 WeakPolarHBondContact O-CA 3.39Å; K53-F146 HydrophobicContact CB-CD1 3.89Å; K53-F146 HydrophobicContact CB-CE1 3.81Å; K53-F146 HydrophobicContact CD-CE1 4.09Å; K53-F146 HydrophobicContact CG-CD1 4.13Å; K53-F146 HydrophobicContact CG-CE1 3.78Å; L68-F146 HydrophobicContact CD1-CD1 4.42Å; L68-F146 HydrophobicContact CD1-CD2 4.22Å; L68-F146 HydrophobicContact CD1-CE1 3.97Å; L68-F146 HydrophobicContact CD1-CE2 3.73Å; L68-F146 HydrophobicContact CD1-CZ 3.59Å; L68-F146 HydrophobicContact CD2-CD2 4.09Å; L68-F146 HydrophobicContact CD2-CE2 4.4Å; L68-F146 HydrophobicContact CD2-CG 4.23Å; F77-F146 HydrophobicContact CB-CE1 3.85Å; F77-F146 HydrophobicContact CB-CZ 4.03Å; F77-F146 HydrophobicContact CD2-CD1 4.14Å; F77-F146 AromaticContact CD2-CE1 3.58Å; F77-F146 HydrophobicContact CD2-CE1 3.58Å; F77-F146 HydrophobicContact CE2-CD1 4.48Å; F77-F146 HydrophobicContact CE2-CE1 4.26Å; F77-F146 AromaticContact CG-CE1 3.72Å; F77-F146 HydrophobicContact CG-CE1 3.72Å; F77-F146 HydrophobicContact CG-CZ 4.4Å; E133-F146 CarbonylContact C-O 3.21Å; E133-F146 VanDerWaalsContact CA-O 3.26Å; E133-F146 WeakPolarHBondContact CA-O 3.45Å; E133-F146 WeakPolarHBondContact CG-O 3.42Å; L134-F146 HydrophobicContact CB-CB 4.32Å; L134-F146 HydrophobicContact CD2-CD2 4.19Å; L134-F146 PolarHBondContact N-O 3.47Å; L134-F146 PolarHBondContact O-N 3.14Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 4.04Å; V144-F146 HydrophobicContact CB-CE2 4.31Å; V144-F146 HydrophobicContact CG1-CD2 4.18Å; V144-F146 HydrophobicContact CG1-CE1 4.19Å; V144-F146 HydrophobicContact CG1-CE2 3.42Å; V144-F146 VanDerWaalsContact CG1-CE2 3.42Å; V144-F146 HydrophobicContact CG1-CZ 3.42Å; V144-F146 VanDerWaalsContact CG1-CZ 3.42Å
147	R	92.8	Very high	92.8	Very high	59 Å²	59	37.7 Å²	37.7	22%	0.223	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.4	172.9	-60.7	-174.8	88.4	143.5	13.9	111	R52 C54 D113 T132 E133 D149	R52-R147 HydrophobicContact CB-CB 4.35Å; R52-R147 PolarHBondContact N-O 3.04Å; R52-R147 PolarHBondContact O-N 3.43Å; C54-R147 VanDerWaalsContact SG-CD 3.6Å; D113-R147 IonicContact OD2-CZ 3.86Å; D113-R147 IonicContact OD2-NH2 2.72Å; D113-R147 PolarHBondContact OD2-NH2 2.96Å; T132-R147 CarbonylContact O-C 3.35Å; T132-R147 VanDerWaalsContact O-CA 3.31Å; T132-R147 WeakPolarHBondContact O-CA 3.33Å; E133-R147 HydrophobicContact CB-CG 4.15Å; E133-R147 HydrophobicContact CG-CG 4.16Å; R147-D149 WeakPolarHBondContact CB-OD2 3.23Å
148	F	95.8	Very high	93	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	21%	0.208	C	C	.	.			trans	-113.8	28.6	-171.5	-61.1	-56	0	0	0	111.8	V48 V51 L68 P131 T132 L134 E150 S151 A156 V159 C160	V48-F148 HydrophobicContact CG1-CE1 4.11Å; V51-F148 HydrophobicContact CG1-CD1 4.22Å; V51-F148 HydrophobicContact CG1-CE1 4.01Å; V51-F148 HydrophobicContact CG2-CD1 3.98Å; V51-F148 HydrophobicContact CG2-CE1 3.92Å; L68-F148 HydrophobicContact CD2-CE1 4.29Å; L68-F148 HydrophobicContact CD2-CZ 4.39Å; P131-F148 HydrophobicContact CB-CD2 4.24Å; P131-F148 HydrophobicContact CB-CE2 4.34Å; P131-F148 HydrophobicContact CG-CD2 4.23Å; P131-F148 HydrophobicContact CG-CE2 4.28Å; T132-F148 PolarHBondContact O-N 3.17Å; L134-F148 HydrophobicContact CB-CE2 3.63Å; L134-F148 HydrophobicContact CB-CZ 3.8Å; L134-F148 HydrophobicContact CD2-CZ 4.04Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 2.81Å; F148-S151 PolarHBondContact O-N 2.91Å; F148-S151 VanDerWaalsContact O-N 3.1Å; F148-A156 HydrophobicContact CB-CB 3.84Å; F148-A156 HydrophobicContact CD1-CB 3.78Å; F148-A156 HydrophobicContact CD2-CB 3.77Å; F148-A156 HydrophobicContact CE1-CB 4.25Å; F148-A156 HydrophobicContact CE2-CB 4.21Å; F148-A156 HydrophobicContact CG-CB 3.52Å; F148-A156 HydrophobicContact CZ-CB 4.45Å; F148-V159 HydrophobicContact CE1-CG1 4.31Å; F148-V159 HydrophobicContact CZ-CG1 4.15Å; F148-C160 VanDerWaalsContact CE2-SG 3.59Å
149	D	90.5	Very high	93.2	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.5	-171.3	-51.1	-56.5	0	0	0	112.6	R52 R147	R52-D149 IonicContact CZ-OD2 3.27Å; R52-D149 VanDerWaalsContact CZ-OD2 3.27Å; R52-D149 IonicContact NE-OD2 3.05Å; R52-D149 PolarHBondContact NE-OD2 2.88Å; R52-D149 IonicContact NH2-OD2 2.69Å; R52-D149 PolarHBondContact NH2-OD2 3.27Å; R147-D149 WeakPolarHBondContact CB-OD2 3.23Å
150	E	92.6	Very high	93.4	Very high	141 Å²	141	40.6 Å²	40.6	66%	0.659	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-2	178.4	-62.8	-90.6	157.1	0	0	112.4	F50 W65 F148	F50-E150 HydrophobicContact CB-CB 3.93Å; W65-E150 HydrophobicContact CH2-CB 4.17Å; W65-E150 HydrophobicContact CH2-CG 3.52Å; W65-E150 HydrophobicContact CZ3-CB 3.84Å; W65-E150 HydrophobicContact CZ3-CG 3.68Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 2.81Å
151	S	94.8	Very high	93.6	Very high	11 Å²	11	43 Å²	43	8%	0.077	22%	0.22	C	C	.	.	S	Bend	trans	-80.7	148.7	-176.7	-60.8	0	0	0	0	111.3	N49 F50 F148 P153	N49-S151 PolarHBondContact O-OG 3.05Å; N49-S151 VanDerWaalsContact O-OG 3.11Å; F50-S151 PolarHBondContact O-OG 2.96Å; F148-S151 PolarHBondContact O-N 2.91Å; F148-S151 VanDerWaalsContact O-N 3.1Å; S151-P153 WeakPolarHBondContact O-CD 3.41Å
152	G	92.6	Very high	93.9	Very high	39 Å²	39	43.1 Å²	43.1	40%	0.402	22%	0.222	S	C	.	.			trans	-59.2	122.3	170.3	0	0	0	0	0	111.1	E154 S155 A156	G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 2.83Å; G152-S155 WeakPolarHBondContact O-CB 3.43Å; G152-S155 PolarHBondContact O-N 2.89Å; G152-A156 PolarHBondContact O-N 3.46Å
153	P	93.7	Very high	94.2	Very high	68 Å²	68	42.2 Å²	42.2	44%	0.442	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-33.5	-170.8	20.9	-32.9	0	0	0	113.4	N130 S151 K157	N130-P153 HydrophobicContact CB-CB 4Å; S151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-K157 VanDerWaalsContact O-CB 3.3Å; P153-K157 WeakPolarHBondContact O-CB 3.26Å; P153-K157 PolarHBondContact O-N 3.47Å
154	E	94.8	Very high	94.6	Very high	105 Å²	105	41.3 Å²	41.3	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-38.9	175	-66.9	-55.7	139.9	0	0	112.1	G152 K157 K158	G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 2.83Å; E154-K157 PolarHBondContact O-N 3.29Å; E154-K158 WeakPolarHBondContact O-CB 3.29Å; E154-K158 VanDerWaalsContact O-CG 3.24Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.38Å
155	S	96.1	Very high	94.8	Very high	53 Å²	53	44.9 Å²	44.9	37%	0.371	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-43.1	176.3	-57	0	0	0	0	111.4	G152 K157 K158 V159	G152-S155 WeakPolarHBondContact O-CB 3.43Å; G152-S155 PolarHBondContact O-N 2.89Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 3.21Å; S155-K158 PolarHBondContact O-N 2.67Å; S155-V159 PolarHBondContact O-N 3.39Å
156	A	96.8	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-45.3	173.8	0	0	0	0	0	111.6	P131 F148 G152 V159 C160	P131-A156 HydrophobicContact CG-CB 4.3Å; F148-A156 HydrophobicContact CB-CB 3.84Å; F148-A156 HydrophobicContact CD1-CB 3.78Å; F148-A156 HydrophobicContact CD2-CB 3.77Å; F148-A156 HydrophobicContact CE1-CB 4.25Å; F148-A156 HydrophobicContact CE2-CB 4.21Å; F148-A156 HydrophobicContact CG-CB 3.52Å; F148-A156 HydrophobicContact CZ-CB 4.45Å; G152-A156 PolarHBondContact O-N 3.46Å; A156-V159 VanDerWaalsContact O-CG1 3.25Å; A156-V159 WeakPolarHBondContact O-CG1 3.3Å; A156-C160 PolarHBondContact O-N 3.19Å; A156-C160 VanDerWaalsContact O-N 3.13Å; A156-C160 PolarHBondContact O-SG 3.31Å
157	K	96.5	Very high	95.1	Very high	47 Å²	47	46 Å²	46	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-46.2	174.8	-176.4	176.9	-176.1	178	0	112.3	L127 P153 E154 S155 C160 L161	L127-K157 HydrophobicContact CD2-CG 4.3Å; L127-K157 WeakPolarHBondContact O-CE 3.33Å; L127-K157 PolarHBondContact O-NZ 3.09Å; L127-K157 VanDerWaalsContact O-NZ 3.1Å; P153-K157 VanDerWaalsContact O-CB 3.3Å; P153-K157 WeakPolarHBondContact O-CB 3.26Å; P153-K157 PolarHBondContact O-N 3.47Å; E154-K157 PolarHBondContact O-N 3.29Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 3.21Å; K157-C160 PolarHBondContact O-N 3.23Å; K157-L161 HydrophobicContact CG-CD1 4.22Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.34Å; K157-L161 PolarHBondContact O-N 3.11Å; K157-L161 VanDerWaalsContact O-N 3.08Å
158	K	96.5	Very high	95.1	Very high	123 Å²	123	45.3 Å²	45.3	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-43.4	178.9	-78.4	175.6	-177.6	-178.7	0	112.4	N46 E154 S155 L161 A162	N46-K158 VanDerWaalsContact ND2-C 3.31Å; N46-K158 PolarHBondContact ND2-O 3.45Å; E154-K158 WeakPolarHBondContact O-CB 3.29Å; E154-K158 VanDerWaalsContact O-CG 3.24Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.38Å; S155-K158 PolarHBondContact O-N 2.67Å; K158-L161 PolarHBondContact O-N 2.97Å; K158-A162 WeakPolarHBondContact O-CB 3.44Å; K158-A162 PolarHBondContact O-N 2.92Å
159	V	97.2	Very high	95	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-41.1	178.3	76.9	0	0	0	0	111.2	N46 V48 L68 C70 F148 S155 A156 L161 A162 I163	N46-V159 HydrophobicContact CB-CG2 4.47Å; V48-V159 HydrophobicContact CB-CG1 4.3Å; V48-V159 HydrophobicContact CG1-CB 4.03Å; V48-V159 HydrophobicContact CG1-CG1 3.52Å; V48-V159 HydrophobicContact CG1-CG2 4.29Å; L68-V159 HydrophobicContact CD2-CG1 4.36Å; L68-V159 HydrophobicContact CD2-CG2 4.42Å; C70-V159 HydrophobicContact CB-CG2 4.3Å; F148-V159 HydrophobicContact CE1-CG1 4.31Å; F148-V159 HydrophobicContact CZ-CG1 4.15Å; S155-V159 PolarHBondContact O-N 3.39Å; A156-V159 VanDerWaalsContact O-CG1 3.25Å; A156-V159 WeakPolarHBondContact O-CG1 3.3Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.33Å; V159-A162 PolarHBondContact O-N 2.6Å; V159-I163 HydrophobicContact CG2-CD1 3.96Å; V159-I163 HydrophobicContact CG2-CG1 4.4Å; V159-I163 WeakPolarHBondContact O-CB 3.21Å; V159-I163 VanDerWaalsContact O-CG1 3.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.49Å; V159-I163 PolarHBondContact O-N 2.64Å
160	C	97.4	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-43.4	177.4	-68.9	0	0	0	0	111.7	T110 L121 F148 A156 K157 A164	T110-C160 HydrophobicContact CG2-CB 3.96Å; L121-C160 HydrophobicContact CD1-CB 3.92Å; F148-C160 VanDerWaalsContact CE2-SG 3.59Å; A156-C160 PolarHBondContact O-N 3.19Å; A156-C160 VanDerWaalsContact O-N 3.13Å; A156-C160 PolarHBondContact O-SG 3.31Å; K157-C160 PolarHBondContact O-N 3.23Å; C160-A164 WeakPolarHBondContact O-CB 3.23Å; C160-A164 PolarHBondContact O-N 3.48Å
161	L	96.7	Very high	94.9	Very high	55 Å²	55	41.6 Å²	41.6	29%	0.288	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-40	176.8	-69.2	174	0	0	0	112.2	Q125 L127 K157 K158 V159 A164 H165	Q125-L161 WeakPolarHBondContact O-CD2 3.48Å; L127-L161 HydrophobicContact CB-CD2 4.12Å; K157-L161 HydrophobicContact CG-CD1 4.22Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.34Å; K157-L161 PolarHBondContact O-N 3.11Å; K157-L161 VanDerWaalsContact O-N 3.08Å; K158-L161 PolarHBondContact O-N 2.97Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.33Å; L161-A164 PolarHBondContact O-N 2.71Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 3.4Å
162	A	96.2	Very high	94.9	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.1	0	0	0	0	0	111.7	V45 N46 K158 V159 A164 H165 Y166	V45-A162 HydrophobicContact CG1-CB 3.97Å; N46-A162 HydrophobicContact CB-CB 3.87Å; N46-A162 WeakPolarHBondContact ND2-CB 3.36Å; K158-A162 WeakPolarHBondContact O-CB 3.44Å; K158-A162 PolarHBondContact O-N 2.92Å; V159-A162 PolarHBondContact O-N 2.6Å; A162-A164 VanDerWaalsContact C-N 3.31Å; A162-A164 PolarHBondContact O-N 2.91Å; A162-H165 PolarHBondContact O-N 3.04Å; A162-H165 VanDerWaalsContact O-N 3.14Å; A162-Y166 WeakPolarHBondContact O-CD2 3.46Å; A162-Y166 PolarHBondContact O-N 2.94Å
163	I	96.9	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-45.4	175.8	-70.5	166.1	0	0	0	110.7	L68 C70 I75 I105 I108 L134 V159 H165 S167	L68-I163 HydrophobicContact CD2-CD1 4.31Å; C70-I163 HydrophobicContact CB-CG1 3.82Å; I75-I163 HydrophobicContact CD1-CB 4.29Å; I75-I163 HydrophobicContact CD1-CD1 3.78Å; I75-I163 HydrophobicContact CD1-CG1 3.79Å; I75-I163 HydrophobicContact CD1-CG2 3.52Å; I75-I163 HydrophobicContact CG1-CD1 4.23Å; I75-I163 HydrophobicContact CG1-CG1 4.01Å; I75-I163 HydrophobicContact CG1-CG2 4.42Å; I105-I163 HydrophobicContact CD1-CG2 4.09Å; I108-I163 HydrophobicContact CD1-CG2 3.64Å; I108-I163 HydrophobicContact CG1-CG2 4.14Å; L134-I163 HydrophobicContact CD2-CD1 3.89Å; V159-I163 HydrophobicContact CG2-CD1 3.96Å; V159-I163 HydrophobicContact CG2-CG1 4.4Å; V159-I163 WeakPolarHBondContact O-CB 3.21Å; V159-I163 VanDerWaalsContact O-CG1 3.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.49Å; V159-I163 PolarHBondContact O-N 2.64Å; I163-H165 VanDerWaalsContact C-N 3.33Å; I163-H165 PolarHBondContact O-N 3.21Å; I163-S167 WeakPolarHBondContact O-CB 3.33Å; I163-S167 PolarHBondContact O-N 3.46Å; I163-S167 PolarHBondContact O-OG 3.18Å
164	A	95.2	Very high	95.1	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-34.7	177.7	0	0	0	0	0	113.6	I108 L121 C160 L161 A162 S167	I108-A164 VanDerWaalsContact CD1-CA 3.5Å; I108-A164 HydrophobicContact CD1-CB 4.05Å; L121-A164 HydrophobicContact CB-CB 3.83Å; L121-A164 HydrophobicContact CD1-CB 4.4Å; C160-A164 WeakPolarHBondContact O-CB 3.23Å; C160-A164 PolarHBondContact O-N 3.48Å; L161-A164 PolarHBondContact O-N 2.71Å; A162-A164 VanDerWaalsContact C-N 3.31Å; A162-A164 PolarHBondContact O-N 2.91Å; A164-S167 PolarHBondContact O-OG 3.32Å
165	H	94.5	Very high	95.2	Very high	77 Å²	77	38 Å²	38	36%	0.356	19%	0.192	S	C	.	.	H	α-helix	trans	-72.6	-52.3	176.6	177.7	-93.4	0	0	0	112	N124 L161 A162 I163 Q168	N124-H165 PolarHBondContact OD1-CD2 3.48Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 3.4Å; A162-H165 PolarHBondContact O-N 3.04Å; A162-H165 VanDerWaalsContact O-N 3.14Å; I163-H165 VanDerWaalsContact C-N 3.33Å; I163-H165 PolarHBondContact O-N 3.21Å; H165-Q168 PolarHBondContact O-N 3.29Å
166	Y	94.6	Very high	95.2	Very high	88 Å²	88	35.6 Å²	35.6	35%	0.345	18%	0.175	S	C	.	.	H	α-helix	trans	-79.1	-19.3	-172.2	-78.1	-95.8	0	0	0	113.9	V45 N72 A162 Q168	V45-Y166 HydrophobicContact CB-CE2 4.18Å; V45-Y166 HydrophobicContact CG1-CD2 3.81Å; V45-Y166 HydrophobicContact CG1-CE2 3.27Å; V45-Y166 HydrophobicContact CG2-CD1 4.11Å; V45-Y166 HydrophobicContact CG2-CD2 4.22Å; V45-Y166 HydrophobicContact CG2-CE1 3.71Å; V45-Y166 HydrophobicContact CG2-CE2 3.87Å; V45-Y166 HydrophobicContact CG2-CG 4.33Å; N72-Y166 HydrophobicContact CB-CD1 4.46Å; N72-Y166 HydrophobicContact CB-CE1 4.48Å; A162-Y166 WeakPolarHBondContact O-CD2 3.46Å; A162-Y166 PolarHBondContact O-N 2.94Å; Y166-Q168 PolarHBondContact O-N 3.44Å
167	S	94.8	Very high	95.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	170.9	59.5	0	0	0	0	114.2	I108 I163 A164	I108-S167 WeakPolarHBondContact CD1-OG 3.44Å; I163-S167 WeakPolarHBondContact O-CB 3.33Å; I163-S167 PolarHBondContact O-N 3.46Å; I163-S167 PolarHBondContact O-OG 3.18Å; A164-S167 PolarHBondContact O-OG 3.32Å
168	Q	92.9	Very high	95.2	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	17%	0.165	C	C	.	.	S	Bend	trans	-130.2	66.8	-178.5	-46.6	-153.9	3.6	0	0	111	P123 H165 Y166 T170 K454	P123-Q168 HydrophobicContact CB-CB 4.2Å; P123-Q168 HydrophobicContact CG-CB 4.22Å; H165-Q168 PolarHBondContact O-N 3.29Å; Y166-Q168 PolarHBondContact O-N 3.44Å; Q168-T170 PolarHBondContact O-N 3.37Å; Q168-K454 HydrophobicContact CB-CB 4.05Å; Q168-K454 HydrophobicContact CB-CG 4.2Å; Q168-K454 HydrophobicContact CG-CB 4.04Å; Q168-K454 HydrophobicContact CG-CG 3.88Å
169	P	92.9	Very high	95.1	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.078	15%	0.153	C	C	.	.			trans	-59.8	136.8	-177.3	25.1	-33.7	0	0	0	111.4	D171 L174 L175 L453	P169-D171 VanDerWaalsContact C-N 3.3Å; P169-D171 PolarHBondContact O-N 3.33Å; P169-L174 HydrophobicContact CB-CB 3.9Å; P169-L175 HydrophobicContact CB-CD2 4.48Å; P169-L175 HydrophobicContact CG-CD2 3.69Å; P169-L453 HydrophobicContact CG-CD2 3.95Å
170	T	90.2	Very high	95	Very high	70 Å²	70	32.1 Å²	32.1	43%	0.429	16%	0.16	S	C	.	.	S	Bend	trans	-78.4	-15.7	-176.9	58.8	0	0	0	0	114.2	Q168 L174 R455	Q168-T170 PolarHBondContact O-N 3.37Å; T170-L174 VanDerWaalsContact OG1-CD1 3.26Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.46Å; T170-R455 VanDerWaalsContact CG2-NH2 3.28Å; T170-R455 PolarHBondContact O-NH1 3.42Å
171	D	92.4	Very high	94.9	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	16%	0.16	S	C	.	.	S	Bend	trans	-147.5	153.7	-178.5	-171.9	16.2	0	0	0	109.6	P169 Q173 L174	P169-D171 VanDerWaalsContact C-N 3.3Å; P169-D171 PolarHBondContact O-N 3.33Å; D171-Q173 VanDerWaalsContact C-N 3.26Å; D171-Q173 PolarHBondContact O-N 3.13Å; D171-L174 HydrophobicContact CB-CD1 4.43Å; D171-L174 HydrophobicContact CB-CG 4.4Å; D171-L174 WeakPolarHBondContact O-CB 3.43Å; D171-L174 PolarHBondContact O-N 3.24Å; D171-L174 VanDerWaalsContact O-N 3.15Å
172	L	94.3	Very high	94.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.1	-38	179.3	-178.4	67.3	0	0	0	112.1	L174 L175 F178 L447 F505 Q514	L172-L174 PolarHBondContact O-N 3.03Å; L172-L175 HydrophobicContact CD1-CD1 3.59Å; L172-L175 HydrophobicContact CD1-CG 4.5Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 WeakPolarHBondContact O-CG 3.42Å; L172-L175 PolarHBondContact O-N 2.72Å; L172-F178 HydrophobicContact CD2-CE2 4.49Å; L172-F178 HydrophobicContact CD2-CZ 4.32Å; L172-F178 HydrophobicContact CG-CE2 3.91Å; L172-F178 HydrophobicContact CG-CZ 4.18Å; L172-F178 WeakPolarHBondContact O-CD2 3.12Å; L172-F178 WeakPolarHBondContact O-CE2 3.43Å; L172-L447 HydrophobicContact CD1-CD1 3.47Å; L172-L447 VanDerWaalsContact CD1-CD1 3.47Å; L172-L447 HydrophobicContact CD1-CD2 3.76Å; L172-L447 HydrophobicContact CD1-CG 4.22Å; L172-L447 HydrophobicContact CD2-CD2 4.33Å; L172-L447 HydrophobicContact CG-CD2 4.49Å; L172-F505 HydrophobicContact CD2-CD1 3.74Å; L172-F505 HydrophobicContact CD2-CE1 3.72Å; L172-F505 HydrophobicContact CG-CE1 4.49Å; L172-Q514 HydrophobicContact CD2-CB 4.04Å; L172-Q514 HydrophobicContact CD2-CG 3.77Å
173	Q	95.3	Very high	94.2	Very high	35 Å²	35	33.3 Å²	33.3	16%	0.164	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-68	-13.4	-179.5	-64.2	-176.1	14.7	0	0	113.6	D171 L175 F178 F518	D171-Q173 VanDerWaalsContact C-N 3.26Å; D171-Q173 PolarHBondContact O-N 3.13Å; Q173-L175 VanDerWaalsContact C-N 3.28Å; Q173-F178 HydrophobicContact CG-CD1 4.3Å; Q173-F178 HydrophobicContact CG-CE1 4.02Å; Q173-F178 HydrophobicContact CG-CZ 4.23Å; Q173-F518 HydrophobicContact CB-CD2 3.98Å; Q173-F518 HydrophobicContact CG-CB 4.34Å; Q173-F518 HydrophobicContact CG-CD2 4.15Å
174	L	95.1	Very high	93.7	Very high	105 Å²	105	39.4 Å²	39.4	55%	0.55	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-82	-7.3	172.7	-62.3	175.7	0	0	0	112.8	P169 T170 D171 L172	P169-L174 HydrophobicContact CB-CB 3.9Å; T170-L174 VanDerWaalsContact OG1-CD1 3.26Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.46Å; D171-L174 HydrophobicContact CB-CD1 4.43Å; D171-L174 HydrophobicContact CB-CG 4.4Å; D171-L174 WeakPolarHBondContact O-CB 3.43Å; D171-L174 PolarHBondContact O-N 3.24Å; D171-L174 VanDerWaalsContact O-N 3.15Å; L172-L174 PolarHBondContact O-N 3.03Å
175	L	96.2	Very high	93.2	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	20%	0.197	C	C	.	.	S	Bend	trans	-69.1	139.2	171.3	-65.5	-179.7	0	0	0	110.5	T103 P169 L172 Q173 A177 F178 L447 H452 L453 L504	T103-L175 HydrophobicContact CG2-CD2 3.7Å; P169-L175 HydrophobicContact CB-CD2 4.48Å; P169-L175 HydrophobicContact CG-CD2 3.69Å; L172-L175 HydrophobicContact CD1-CD1 3.59Å; L172-L175 HydrophobicContact CD1-CG 4.5Å; L172-L175 VanDerWaalsContact O-CB 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 WeakPolarHBondContact O-CG 3.42Å; L172-L175 PolarHBondContact O-N 2.72Å; Q173-L175 VanDerWaalsContact C-N 3.28Å; L175-A177 PolarHBondContact O-N 3.39Å; L175-F178 PolarHBondContact O-N 3.16Å; L175-F178 VanDerWaalsContact O-N 3.1Å; L175-L447 HydrophobicContact CD1-CD1 4.42Å; L175-H452 HydrophobicContact CD1-CB 4.37Å; L175-L453 HydrophobicContact CD1-CD2 4.48Å; L175-L453 HydrophobicContact CG-CD2 4.47Å; L175-L504 HydrophobicContact CD1-CD2 3.64Å
176	F	96.7	Very high	92.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-50.8	-35.2	-173.4	177.2	-117.7	0	0	0	114.8	L39 E42 F73 F178 E179 Y180 L499	L39-F176 HydrophobicContact CB-CE1 4.22Å; L39-F176 HydrophobicContact CB-CZ 3.8Å; L39-F176 HydrophobicContact CD1-CE1 3.88Å; L39-F176 HydrophobicContact CD1-CZ 4.32Å; E42-F176 HydrophobicContact CB-CE2 3.74Å; E42-F176 HydrophobicContact CB-CZ 3.94Å; E42-F176 HydrophobicContact CG-CE2 4.32Å; F73-F176 HydrophobicContact CB-CB 3.93Å; F73-F176 HydrophobicContact CB-CD1 3.79Å; F73-F176 HydrophobicContact CB-CD2 3.77Å; F73-F176 HydrophobicContact CB-CE1 4.23Å; F73-F176 HydrophobicContact CB-CE2 4.24Å; F73-F176 HydrophobicContact CB-CG 3.53Å; F73-F176 HydrophobicContact CB-CZ 4.45Å; F73-F176 AromaticContact CD1-CD1 3.99Å; F73-F176 HydrophobicContact CD1-CD1 3.99Å; F73-F176 AromaticContact CD1-CE1 3.97Å; F73-F176 HydrophobicContact CD1-CE1 3.97Å; F73-F176 HydrophobicContact CD2-CB 3.67Å; F73-F176 AromaticContact CD2-CD1 3.25Å; F73-F176 HydrophobicContact CD2-CD1 3.25Å; F73-F176 HydrophobicContact CD2-CE1 4.07Å; F73-F176 AromaticContact CD2-CG 3.6Å; F73-F176 HydrophobicContact CD2-CG 3.6Å; F73-F176 HydrophobicContact CE1-CD1 4.41Å; F73-F176 HydrophobicContact CE1-CE1 4.34Å; F73-F176 AromaticContact CE2-CD1 3.75Å; F73-F176 HydrophobicContact CE2-CD1 3.75Å; F73-F176 HydrophobicContact CE2-CE1 4.43Å; F73-F176 HydrophobicContact CE2-CG 4.48Å; F73-F176 HydrophobicContact CG-CB 4.12Å; F73-F176 AromaticContact CG-CD1 3.38Å; F73-F176 HydrophobicContact CG-CD1 3.38Å; F73-F176 HydrophobicContact CG-CD2 4.31Å; F73-F176 AromaticContact CG-CE1 3.82Å; F73-F176 HydrophobicContact CG-CE1 3.82Å; F73-F176 AromaticContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CZ 4.47Å; F73-F176 HydrophobicContact CZ-CD1 4.3Å; F176-F178 PolarHBondContact O-N 3.14Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F176-E179 PolarHBondContact O-N 2.96Å; F176-E179 VanDerWaalsContact O-N 3.15Å; F176-Y180 HydrophobicContact CE1-CD2 4.05Å; F176-Y180 HydrophobicContact CE1-CG 4.38Å; F176-Y180 HydrophobicContact CZ-CD2 4.02Å; F176-Y180 HydrophobicContact CZ-CG 4.48Å; F176-Y180 PolarHBondContact O-N 3.01Å; F176-L499 HydrophobicContact CD1-CD1 3.98Å; F176-L499 HydrophobicContact CE1-CD1 3.79Å
177	A	96.7	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-49.6	-37.4	178.8	0	0	0	0	0	114	L175 V181 S498 L504 F534	L175-A177 PolarHBondContact O-N 3.39Å; A177-V181 VanDerWaalsContact O-CG2 3.29Å; A177-V181 WeakPolarHBondContact O-CG2 3.31Å; A177-V181 PolarHBondContact O-N 3Å; A177-S498 WeakPolarHBondContact CB-O 3.14Å; A177-S498 PolarHBondContact N-O 2.82Å; A177-L504 HydrophobicContact CB-CD1 3.39Å; A177-F534 HydrophobicContact CB-CD1 3.94Å; A177-F534 HydrophobicContact CB-CE1 3.95Å
178	F	96.6	Very high	90.7	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-68.5	-47.1	-179.6	-77	-93.5	0	0	0	112.2	L172 Q173 L175 F176 Y180 V181 G182 F505 Q514 F518 F534	L172-F178 HydrophobicContact CD2-CE2 4.49Å; L172-F178 HydrophobicContact CD2-CZ 4.32Å; L172-F178 HydrophobicContact CG-CE2 3.91Å; L172-F178 HydrophobicContact CG-CZ 4.18Å; L172-F178 WeakPolarHBondContact O-CD2 3.12Å; L172-F178 WeakPolarHBondContact O-CE2 3.43Å; Q173-F178 HydrophobicContact CG-CD1 4.3Å; Q173-F178 HydrophobicContact CG-CE1 4.02Å; Q173-F178 HydrophobicContact CG-CZ 4.23Å; L175-F178 PolarHBondContact O-N 3.16Å; L175-F178 VanDerWaalsContact O-N 3.1Å; F176-F178 PolarHBondContact O-N 3.14Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F178-Y180 VanDerWaalsContact C-N 3.35Å; F178-V181 PolarHBondContact O-N 2.93Å; F178-G182 PolarHBondContact O-N 2.78Å; F178-F505 HydrophobicContact CE2-CE1 4.39Å; F178-F505 HydrophobicContact CE2-CZ 4.48Å; F178-F505 AromaticContact CZ-CE1 4Å; F178-F505 HydrophobicContact CZ-CE1 4Å; F178-F505 HydrophobicContact CZ-CZ 4.24Å; F178-Q514 HydrophobicContact CE1-CB 4.45Å; F178-Q514 HydrophobicContact CZ-CB 4.15Å; F178-F518 HydrophobicContact CB-CD1 4.49Å; F178-F518 HydrophobicContact CB-CD2 4.05Å; F178-F518 HydrophobicContact CB-CE1 4.2Å; F178-F518 HydrophobicContact CB-CE2 3.75Å; F178-F518 HydrophobicContact CB-CG 4.39Å; F178-F518 HydrophobicContact CB-CZ 3.81Å; F178-F518 HydrophobicContact CD1-CB 3.71Å; F178-F518 HydrophobicContact CD1-CD1 4.01Å; F178-F518 AromaticContact CD1-CD2 3.76Å; F178-F518 HydrophobicContact CD1-CD2 3.76Å; F178-F518 HydrophobicContact CD1-CE2 4.33Å; F178-F518 AromaticContact CD1-CG 3.55Å; F178-F518 HydrophobicContact CD1-CG 3.55Å; F178-F518 HydrophobicContact CE1-CB 3.95Å; F178-F518 HydrophobicContact CE1-CG 4.3Å; F178-F518 HydrophobicContact CG-CD2 4.24Å; F178-F518 HydrophobicContact CG-CE2 4.41Å; F178-F518 HydrophobicContact CG-CG 4.39Å; F178-F534 HydrophobicContact CD1-CE1 4.41Å; F178-F534 AromaticContact CD1-CZ 3.97Å; F178-F534 HydrophobicContact CD1-CZ 3.97Å; F178-F534 HydrophobicContact CD2-CE1 4.37Å; F178-F534 HydrophobicContact CD2-CZ 4.5Å; F178-F534 AromaticContact CE1-CZ 3.81Å; F178-F534 HydrophobicContact CE1-CZ 3.81Å; F178-F534 HydrophobicContact CE2-CE1 4.46Å; F178-F534 HydrophobicContact CE2-CZ 4.31Å; F178-F534 HydrophobicContact CG-CE1 4.34Å; F178-F534 HydrophobicContact CG-CZ 4.34Å; F178-F534 AromaticContact CZ-CZ 3.99Å; F178-F534 HydrophobicContact CZ-CZ 3.99Å
179	E	94.8	Very high	89.1	Confident	58 Å²	58	45.9 Å²	45.9	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-37.7	176	-74.4	-65.9	155.4	0	0	111.5	F176 G182 K183 K522	F176-E179 PolarHBondContact O-N 2.96Å; F176-E179 VanDerWaalsContact O-N 3.15Å; E179-G182 PolarHBondContact O-N 2.8Å; E179-K183 WeakPolarHBondContact O-CG 3.4Å; E179-K183 PolarHBondContact O-N 2.83Å; E179-K522 IonicContact OE1-NZ 2.81Å; E179-K522 PolarHBondContact OE1-NZ 2.78Å
180	Y	95.1	Very high	87.2	Confident	39 Å²	39	51.1 Å²	51.1	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-51.4	175.2	177.8	-93.6	0	0	0	112	P40 F176 F178 K184 L499 P535	P40-Y180 HydrophobicContact CB-CD2 4.47Å; P40-Y180 HydrophobicContact CB-CE2 4.46Å; P40-Y180 HydrophobicContact CG-CE2 4.37Å; P40-Y180 WeakPolarHBondContact O-CA 3.4Å; P40-Y180 VanDerWaalsContact O-CD2 3.24Å; P40-Y180 WeakPolarHBondContact O-CD2 3.39Å; F176-Y180 HydrophobicContact CE1-CD2 4.05Å; F176-Y180 HydrophobicContact CE1-CG 4.38Å; F176-Y180 HydrophobicContact CZ-CD2 4.02Å; F176-Y180 HydrophobicContact CZ-CG 4.48Å; F176-Y180 PolarHBondContact O-N 3.01Å; F178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-K184 PolarHBondContact O-N 2.94Å; Y180-L499 HydrophobicContact CD1-CD1 3.53Å; Y180-L499 HydrophobicContact CD2-CD1 3.67Å; Y180-L499 HydrophobicContact CE1-CD1 3.95Å; Y180-L499 HydrophobicContact CE2-CD1 4.08Å; Y180-L499 HydrophobicContact CG-CD1 3.38Å; Y180-P535 HydrophobicContact CE1-CG 4.27Å
181	V	94.1	Very high	85.5	Confident	1 Å²	1	55 Å²	55	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-39.6	179.6	-178.7	0	0	0	0	111	A177 F178 K183 K184 Y185 L532 F534	A177-V181 VanDerWaalsContact O-CG2 3.29Å; A177-V181 WeakPolarHBondContact O-CG2 3.31Å; A177-V181 PolarHBondContact O-N 3Å; F178-V181 PolarHBondContact O-N 2.93Å; V181-K183 PolarHBondContact O-N 2.87Å; V181-K184 WeakPolarHBondContact O-CA 3.26Å; V181-K184 VanDerWaalsContact O-CB 3.3Å; V181-K184 WeakPolarHBondContact O-CB 3.42Å; V181-K184 PolarHBondContact O-N 3.06Å; V181-Y185 HydrophobicContact CG1-CD2 3.82Å; V181-Y185 HydrophobicContact CG1-CE2 3.63Å; V181-Y185 WeakPolarHBondContact O-CD2 3.43Å; V181-Y185 PolarHBondContact O-N 3.38Å; V181-Y185 VanDerWaalsContact O-N 3.15Å; V181-L532 HydrophobicContact CG1-CB 3.9Å; V181-L532 HydrophobicContact CG1-CD1 4.45Å; V181-L532 HydrophobicContact CG1-CD2 4.29Å; V181-L532 HydrophobicContact CG1-CG 4.46Å; V181-F534 HydrophobicContact CG2-CD1 3.75Å; V181-F534 HydrophobicContact CG2-CE1 4.2Å; V181-F534 HydrophobicContact CG2-CG 4.31Å
182	G	91.6	Very high	83.1	Confident	4 Å²	4	58.2 Å²	58.2	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-46.3	177.5	0	0	0	0	0	112.6	F178 E179 K184 Y185 H186	F178-G182 PolarHBondContact O-N 2.78Å; E179-G182 PolarHBondContact O-N 2.8Å; G182-K184 VanDerWaalsContact C-N 3.29Å; G182-K184 PolarHBondContact O-N 3.32Å; G182-Y185 PolarHBondContact O-N 2.86Å; G182-H186 PolarHBondContact O-CD2 2.88Å; G182-H186 VanDerWaalsContact O-CD2 3.3Å; G182-H186 PolarHBondContact O-N 3.45Å; G182-H186 VanDerWaalsContact O-N 3.14Å
183	K	88.4	Confident	80.4	Confident	82 Å²	82	65.7 Å²	65.7	36%	0.357	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-33.9	174.9	-73.4	-144.9	-173	160.8	0	113.1	G41 E179 V181 H186 N187	G41-K183 VanDerWaalsContact CA-CE 3.5Å; E179-K183 WeakPolarHBondContact O-CG 3.4Å; E179-K183 PolarHBondContact O-N 2.83Å; V181-K183 PolarHBondContact O-N 2.87Å; K183-H186 PolarHBondContact O-N 2.61Å; K183-N187 WeakPolarHBondContact O-CB 3.46Å; K183-N187 VanDerWaalsContact O-CG 3.28Å; K183-N187 PolarHBondContact O-N 3.31Å
184	K	86.2	Confident	77.3	Confident	129 Å²	129	66.3 Å²	66.3	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-62.8	-43.2	176.1	-171.3	-180	177.6	179.6	0	111.7	Y180 V181 G182 N187 S188	Y180-K184 PolarHBondContact O-N 2.94Å; V181-K184 WeakPolarHBondContact O-CA 3.26Å; V181-K184 VanDerWaalsContact O-CB 3.3Å; V181-K184 WeakPolarHBondContact O-CB 3.42Å; V181-K184 PolarHBondContact O-N 3.06Å; G182-K184 VanDerWaalsContact C-N 3.29Å; G182-K184 PolarHBondContact O-N 3.32Å; K184-N187 PolarHBondContact O-N 3.35Å; K184-S188 PolarHBondContact O-N 3.33Å; K184-S188 PolarHBondContact O-OG 3.48Å
185	Y	83.9	Confident	74.3	Confident	44 Å²	44	68.4 Å²	68.4	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-67.2	-41.4	177.4	-83.5	-102.4	0	0	0	112.5	V181 G182 N187 S188 A189 I524 L526 L532 K533	V181-Y185 HydrophobicContact CG1-CD2 3.82Å; V181-Y185 HydrophobicContact CG1-CE2 3.63Å; V181-Y185 WeakPolarHBondContact O-CD2 3.43Å; V181-Y185 PolarHBondContact O-N 3.38Å; V181-Y185 VanDerWaalsContact O-N 3.15Å; G182-Y185 PolarHBondContact O-N 2.86Å; Y185-N187 PolarHBondContact O-N 3.01Å; Y185-S188 PolarHBondContact O-N 3.4Å; Y185-A189 PolarHBondContact O-N 3.49Å; Y185-I524 HydrophobicContact CD1-CG2 3.83Å; Y185-I524 HydrophobicContact CG-CG2 3.88Å; Y185-L526 HydrophobicContact CE1-CD2 4.22Å; Y185-L532 HydrophobicContact CD2-CD2 3.79Å; Y185-L532 HydrophobicContact CE2-CD2 3.76Å; Y185-L532 HydrophobicContact CG-CD2 4.21Å; Y185-K533 PolarHBondContact OH-N 3.48Å
186	H	83.1	Confident	71.1	Confident	82 Å²	82	74 Å²	74	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-40.5	174.3	-77.1	-65.2	0	0	0	112.7	G182 K183 A189 N190	G182-H186 PolarHBondContact O-CD2 2.88Å; G182-H186 VanDerWaalsContact O-CD2 3.3Å; G182-H186 PolarHBondContact O-N 3.45Å; G182-H186 VanDerWaalsContact O-N 3.14Å; K183-H186 PolarHBondContact O-N 2.61Å; H186-A189 PolarHBondContact O-N 2.93Å; H186-N190 PolarHBondContact O-N 3.04Å
187	N	78.6	Confident	68	Low	98 Å²	98	79 Å²	79	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-37	177	-73.8	-13.9	0	0	0	112.4	K183 K184 Y185 K191	K183-N187 WeakPolarHBondContact O-CB 3.46Å; K183-N187 VanDerWaalsContact O-CG 3.28Å; K183-N187 PolarHBondContact O-N 3.31Å; K184-N187 PolarHBondContact O-N 3.35Å; Y185-N187 PolarHBondContact O-N 3.01Å; N187-K191 PolarHBondContact O-N 3.46Å
188	S	69	Low	64.5	Low	73 Å²	73	82.3 Å²	82.3	51%	0.51	47%	0.466	S	S	.	.	H	α-helix	trans	-66.3	-40.1	173	-72.7	0	0	0	0	112.2	K184 Y185 K191	K184-S188 PolarHBondContact O-N 3.33Å; K184-S188 PolarHBondContact O-OG 3.48Å; Y185-S188 PolarHBondContact O-N 3.4Å; S188-K191 PolarHBondContact O-N 2.98Å
189	A	60.5	Low	61.5	Low	50 Å²	50	90.7 Å²	90.7	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.6	0	0	0	0	0	112.6	Y185 H186 K191 I192	Y185-A189 PolarHBondContact O-N 3.49Å; H186-A189 PolarHBondContact O-N 2.93Å; A189-K191 PolarHBondContact O-N 3.22Å; A189-I192 WeakPolarHBondContact O-CB 2.98Å; A189-I192 PolarHBondContact O-N 3.36Å
190	N	53.3	Low	58.2	Low	123 Å²	123	91.6 Å²	91.6	66%	0.658	54%	0.536	S	S	*	.	H	α-helix	trans	-66.1	-23.3	177.7	-76.2	-11.5	0	0	0	113.4	H186 I192	H186-N190 PolarHBondContact O-N 3.04Å; N190-I192 PolarHBondContact O-N 2.78Å
191	K	53.2	Low	54.8	Low	151 Å²	151	93.5 Å²	93.5	66%	0.657	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-72.3	-14	172.5	-74.8	-173.1	176.6	-172.1	0	113.5	N187 S188 A189	N187-K191 PolarHBondContact O-N 3.46Å; S188-K191 PolarHBondContact O-N 2.98Å; A189-K191 PolarHBondContact O-N 3.22Å
192	I	42.9	Very low	51.4	Low	138 Å²	138	97.7 Å²	97.7	71%	0.708	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-78.6	-23.4	-177.8	-61	173.8	0	0	0	111.8	A189 N190	A189-I192 WeakPolarHBondContact O-CB 2.98Å; A189-I192 PolarHBondContact O-N 3.36Å; N190-I192 PolarHBondContact O-N 2.78Å
193	N	36.9	Very low	48.2	Very low	159 Å²	159	101.1 Å²	101.1	85%	0.85	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-97.3	15.8	-178	-77.7	-10.8	0	0	0	115.2
194	G	30.5	Very low	45.1	Very low	48 Å²	48	101.7 Å²	101.7	50%	0.495	68%	0.676	S	S	.	*	S	Bend	trans	-156.5	94.7	178	0	0	0	0	0	112.1
195	I	31.3	Very low	42.2	Very low	150 Å²	150	99.1 Å²	99.1	77%	0.769	69%	0.685	S	S	*	*			trans	65.1	120.9	171.1	-49.8	173.1	0	0	0	113.7	S197	I195-S197 PolarHBondContact O-N 2.83Å
196	P	29.2	Very low	39.2	Very low	123 Å²	123	101.4 Å²	101.4	80%	0.799	72%	0.722	S	S	*	*			trans	-64.7	112.9	179.5	25.6	-30.6	0	0	0	109.9	G198	P196-G198 VanDerWaalsContact C-N 3.32Å; P196-G198 PolarHBondContact O-N 3.32Å
197	S	31.1	Very low	36.5	Very low	105 Å²	105	100.6 Å²	100.6	73%	0.734	74%	0.736	S	S	*	*			trans	-68.9	98.2	157.5	-61.6	0	0	0	0	106.5	I195 D199	I195-S197 PolarHBondContact O-N 2.83Å; S197-D199 PolarHBondContact O-N 3.17Å; S197-D199 VanDerWaalsContact O-N 3.14Å
198	G	25.1	Very low	33.9	Very low	71 Å²	71	104.1 Å²	104.1	73%	0.732	76%	0.755	S	S	*	*			trans	-59.9	112.5	172.1	0	0	0	0	0	109.9	P196	P196-G198 VanDerWaalsContact C-N 3.32Å; P196-G198 PolarHBondContact O-N 3.32Å
199	D	31.8	Very low	32	Very low	177 Å²	177	104 Å²	104	95%	0.947	77%	0.765	S	S	*	*			trans	-130.9	40.6	155.5	-146.4	10.6	0	0	0	109.6	S197	S197-D199 PolarHBondContact O-N 3.17Å; S197-D199 VanDerWaalsContact O-N 3.14Å
200	G	25.5	Very low	30.4	Very low	77 Å²	77	106.5 Å²	106.5	79%	0.794	79%	0.786	S	S	*	*	S	Bend	trans	-149.8	83.7	174.5	0	0	0	0	0	109
201	G	23.7	Very low	29	Very low	78 Å²	78	104.2 Å²	104.2	80%	0.804	79%	0.791	S	S	*	*	S	Bend	trans	159.2	107.2	176.7	0	0	0	0	0	112
202	G	23.4	Very low	27.7	Very low	89 Å²	89	100.7 Å²	100.7	92%	0.918	80%	0.798	S	S	*	*			trans	-68.8	166.2	-169	0	0	0	0	0	117.1
203	G	23.8	Very low	27	Very low	77 Å²	77	97 Å²	97	79%	0.794	79%	0.794	S	S	*	*			trans	-179.5	111.7	168.9	0	0	0	0	0	109.5
204	G	24	Very low	26.8	Very low	94 Å²	94	94.8 Å²	94.8	97%	0.969	79%	0.791	S	S	*	*			trans	-60.3	136.2	-172	0	0	0	0	0	114.5
205	G	24.6	Very low	27.6	Very low	74 Å²	74	98 Å²	98	76%	0.763	81%	0.806	S	S	*	*			trans	-145.8	91	165.1	0	0	0	0	0	107.6	G207	G205-G207 VanDerWaalsContact C-N 3.32Å; G205-G207 PolarHBondContact O-N 2.93Å
206	G	22.7	Very low	28.8	Very low	92 Å²	92	97.5 Å²	97.5	95%	0.948	80%	0.8	S	S	*	*			trans	-62.8	93.4	172.3	0	0	0	0	0	109.8
207	G	25.3	Very low	31.5	Very low	66 Å²	66	100.6 Å²	100.6	68%	0.68	80%	0.801	S	S	*	*			trans	-111.2	103.3	163.5	0	0	0	0	0	107.7	G205 G209	G205-G207 VanDerWaalsContact C-N 3.32Å; G205-G207 PolarHBondContact O-N 2.93Å; G207-G209 PolarHBondContact O-N 3.23Å
208	N	25.2	Very low	34.5	Very low	172 Å²	172	96.3 Å²	96.3	92%	0.92	77%	0.771	S	S	*	*			trans	-62.6	79.3	167.4	-85.8	-13.6	0	0	0	109.3	A210	N208-A210 VanDerWaalsContact C-N 3.28Å; N208-A210 PolarHBondContact O-N 3.45Å; N208-A210 VanDerWaalsContact O-N 3.11Å
209	G	27.4	Very low	37.8	Very low	70 Å²	70	94.7 Å²	94.7	72%	0.722	75%	0.747	S	S	*	*			trans	-79.3	78.4	166.2	0	0	0	0	0	109.4	G207 G211	G207-G209 PolarHBondContact O-N 3.23Å; G209-G211 PolarHBondContact O-N 2.94Å
210	A	27.3	Very low	40.8	Very low	103 Å²	103	88.6 Å²	88.6	85%	0.851	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	92	169.9	0	0	0	0	0	109.3	N208	N208-A210 VanDerWaalsContact C-N 3.28Å; N208-A210 PolarHBondContact O-N 3.45Å; N208-A210 VanDerWaalsContact O-N 3.11Å
211	G	24.8	Very low	44.2	Very low	74 Å²	74	85 Å²	85	76%	0.763	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	180	-14.9	177.7	0	0	0	0	0	117	G209 G213	G209-G211 PolarHBondContact O-N 2.94Å; G211-G213 PolarHBondContact O-N 3.39Å
212	G	26.3	Very low	47.6	Very low	77 Å²	77	84.4 Å²	84.4	79%	0.794	65%	0.653	S	S	*	*			trans	-80.6	77.6	173.8	0	0	0	0	0	111.7	S214	G212-S214 PolarHBondContact O-N 2.84Å; G212-S214 VanDerWaalsContact O-N 3.13Å
213	G	27.7	Very low	51	Low	62 Å²	62	83.4 Å²	83.4	64%	0.639	63%	0.629	S	S	*	*			trans	-51.6	122.9	167.5	0	0	0	0	0	108.9	G211 S215	G211-G213 PolarHBondContact O-N 3.39Å; G213-S215 PolarHBondContact O-N 3.35Å
214	S	31.7	Very low	54.5	Low	111 Å²	111	84.8 Å²	84.8	78%	0.776	61%	0.611	S	S	*	*			trans	-59.8	85.4	178.9	65.7	0	0	0	0	109.3	G212 Q216	G212-S214 PolarHBondContact O-N 2.84Å; G212-S214 VanDerWaalsContact O-N 3.13Å; S214-Q216 PolarHBondContact O-N 3.12Å
215	S	47	Very low	58	Low	115 Å²	115	83.3 Å²	83.3	80%	0.804	59%	0.586	S	S	*	*			trans	-64.7	104.4	172.2	-66.3	0	0	0	0	105.2	G213 K217	G213-S215 PolarHBondContact O-N 3.35Å; S215-K217 PolarHBondContact O-N 2.69Å
216	Q	58.4	Low	61.5	Low	141 Å²	141	81 Å²	81	66%	0.659	56%	0.556	S	S	*	*			trans	-57.9	107.5	177.7	-73.6	-171.4	-18.6	0	0	107.3	S214 T218 T429	S214-Q216 PolarHBondContact O-N 3.12Å; Q216-T218 PolarHBondContact O-N 2.96Å; Q216-T429 HydrophobicContact CB-CG2 4.42Å; Q216-T429 WeakPolarHBondContact O-CG2 3.36Å
217	K	85.3	Confident	65.1	Low	188 Å²	188	76.7 Å²	76.7	82%	0.817	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-57.7	130.3	179.6	-174.3	177.8	-180	-179.3	0	108.7	S215 P219	S215-K217 PolarHBondContact O-N 2.69Å; K217-P219 WeakPolarHBondContact O-CD 3.49Å
218	T	93.7	Very high	68.5	Low	15 Å²	15	75.7 Å²	75.7	9%	0.092	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-56.8	122.2	178.8	-57.6	0	0	0	0	110.4	Q216 L220 Q432 W538	Q216-T218 PolarHBondContact O-N 2.96Å; T218-L220 PolarHBondContact O-N 3.3Å; T218-Q432 HydrophobicContact CG2-CB 3.51Å; T218-Q432 PolarHBondContact OG1-OE1 2.8Å; T218-W538 HydrophobicContact CG2-CG 4.02Å
219	P	94.7	Very high	72	Confident	37 Å²	37	75.8 Å²	75.8	24%	0.24	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-59.9	133.8	175.3	-22.5	33.3	0	0	0	111.1	K217 F221 Q436	K217-P219 WeakPolarHBondContact O-CD 3.49Å; P219-F221 HydrophobicContact CB-CD2 4.24Å; P219-F221 HydrophobicContact CB-CE2 3.86Å; P219-F221 HydrophobicContact CB-CZ 4.22Å; P219-Q436 WeakPolarHBondContact O-CG 3.37Å
220	L	95.5	Very high	75.3	Confident	48 Å²	48	72.8 Å²	72.8	25%	0.251	45%	0.445	S	S	.	.			trans	-93.1	-13.1	-179.4	-62.3	-176.3	0	0	0	113.9	T218 E222 Q436 M441	T218-L220 PolarHBondContact O-N 3.3Å; L220-E222 HydrophobicContact CB-CG 3.97Å; L220-E222 PolarHBondContact O-N 3.38Å; L220-Q436 HydrophobicContact CD2-CG 4.16Å; L220-Q436 WeakPolarHBondContact O-CG 3.36Å; L220-Q436 PolarHBondContact O-NE2 3.24Å; L220-M441 VanDerWaalsContact O-CG 3.27Å; L220-M441 WeakPolarHBondContact O-CG 3.06Å
221	F	96.8	Very high	78.7	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.009	41%	0.408	C	S	.	.			trans	59.6	28.9	-178.8	-64.4	-87	0	0	0	114	P219 D226 W227 E230 S433 Q436 K437 M441	P219-F221 HydrophobicContact CB-CD2 4.24Å; P219-F221 HydrophobicContact CB-CE2 3.86Å; P219-F221 HydrophobicContact CB-CZ 4.22Å; F221-D226 HydrophobicContact CD1-CB 4.28Å; F221-W227 HydrophobicContact CB-CZ2 4.02Å; F221-W227 HydrophobicContact CD1-CD2 4.02Å; F221-W227 HydrophobicContact CD1-CE3 4.21Å; F221-W227 HydrophobicContact CD1-CG 4.43Å; F221-W227 HydrophobicContact CD1-CZ2 4.43Å; F221-W227 PolarHBondContact O-NE1 2.87Å; F221-E230 HydrophobicContact CE1-CB 3.75Å; F221-E230 HydrophobicContact CE1-CG 3.94Å; F221-E230 HydrophobicContact CZ-CB 4.36Å; F221-E230 HydrophobicContact CZ-CG 4.28Å; F221-S433 WeakPolarHBondContact CE2-O 3.48Å; F221-S433 VanDerWaalsContact CE2-OG 3.22Å; F221-S433 WeakPolarHBondContact CE2-OG 3.47Å; F221-S433 WeakPolarHBondContact CZ-OG 3.22Å; F221-Q436 HydrophobicContact CD2-CG 4.33Å; F221-K437 HydrophobicContact CD1-CB 4.44Å; F221-K437 HydrophobicContact CD1-CD 4.3Å; F221-K437 HydrophobicContact CD1-CG 4.2Å; F221-K437 HydrophobicContact CD2-CB 3.74Å; F221-K437 HydrophobicContact CD2-CG 4.37Å; F221-K437 HydrophobicContact CE1-CB 4.37Å; F221-K437 HydrophobicContact CE1-CD 3.8Å; F221-K437 HydrophobicContact CE1-CG 4.15Å; F221-K437 HydrophobicContact CE2-CB 3.66Å; F221-K437 HydrophobicContact CE2-CD 4.43Å; F221-K437 HydrophobicContact CE2-CG 4.32Å; F221-K437 HydrophobicContact CG-CB 4.14Å; F221-K437 HydrophobicContact CG-CG 4.31Å; F221-K437 HydrophobicContact CZ-CB 3.99Å; F221-K437 HydrophobicContact CZ-CD 3.87Å; F221-K437 HydrophobicContact CZ-CG 4.21Å; F221-M441 HydrophobicContact CB-CB 4.38Å; F221-M441 HydrophobicContact CB-CG 3.71Å; F221-M441 WeakPolarHBondContact O-CE 3.16Å
222	E	94	Very high	82.2	Confident	66 Å²	66	71.9 Å²	71.9	31%	0.308	40%	0.401	S	S	.	.			trans	-92.9	-16.9	-179.3	-63.7	-178.9	159.1	0	0	112.3	L220 D226 Y257 M441 R511	L220-E222 HydrophobicContact CB-CG 3.97Å; L220-E222 PolarHBondContact O-N 3.38Å; E222-D226 PolarHBondContact N-OD2 3.24Å; E222-Y257 WeakPolarHBondContact O-CE2 3.33Å; E222-M441 HydrophobicContact CG-CE 4.05Å; E222-M441 HydrophobicContact CG-SD 4.05Å; E222-R511 IonicContact OE1-CZ 3.43Å; E222-R511 IonicContact OE1-NH1 3.3Å; E222-R511 PolarHBondContact OE1-NH1 3Å; E222-R511 IonicContact OE1-NH2 3.41Å; E222-R511 PolarHBondContact OE1-NH2 3.18Å
223	T	95.4	Very high	85.5	Confident	67 Å²	67	72.3 Å²	72.3	41%	0.411	38%	0.379	S	S	.	.	S	Bend	trans	-117	153.9	-176.9	70.5	0	0	0	0	111.7	S225 D226 W227	T223-S225 PolarHBondContact O-N 2.86Å; T223-D226 PolarHBondContact N-OD2 2.95Å; T223-D226 VanDerWaalsContact N-OD2 3.14Å; T223-D226 WeakPolarHBondContact O-CB 3.3Å; T223-D226 PolarHBondContact O-N 3.49Å; T223-D226 VanDerWaalsContact O-N 3.09Å; T223-D226 PolarHBondContact OG1-N 3.35Å; T223-D226 PolarHBondContact OG1-OD2 2.77Å; T223-W227 VanDerWaalsContact O-CD1 3.32Å
224	Y	97.6	Very high	88.8	Confident	107 Å²	107	70 Å²	70	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-48.5	-44	171.8	-177.9	-78	0	0	0	112.2	D226 W227 D228 V241 Y257	Y224-D226 VanDerWaalsContact C-N 3.31Å; Y224-D226 PolarHBondContact O-N 2.76Å; Y224-W227 PolarHBondContact O-N 2.94Å; Y224-D228 HydrophobicContact CD1-CB 4.4Å; Y224-D228 HydrophobicContact CE1-CB 4.17Å; Y224-D228 PolarHBondContact O-N 2.87Å; Y224-V241 HydrophobicContact CD2-CB 3.86Å; Y224-V241 HydrophobicContact CD2-CG1 3.42Å; Y224-V241 VanDerWaalsContact CD2-CG1 3.42Å; Y224-V241 HydrophobicContact CE1-CB 4.25Å; Y224-V241 HydrophobicContact CE1-CG2 4.36Å; Y224-V241 HydrophobicContact CE2-CB 3.45Å; Y224-V241 VanDerWaalsContact CE2-CB 3.45Å; Y224-V241 HydrophobicContact CE2-CG1 3.57Å; Y224-V241 HydrophobicContact CE2-CG2 4.39Å; Y224-V241 HydrophobicContact CG-CB 4.42Å; Y224-V241 HydrophobicContact CG-CG1 3.96Å; Y224-Y257 HydrophobicContact CD2-CD1 4.27Å
225	S	97.7	Very high	91.9	Very high	62 Å²	62	67.4 Å²	67.4	43%	0.434	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-31.9	-178	-62.8	0	0	0	0	113.7	T223 R229	T223-S225 PolarHBondContact O-N 2.86Å; S225-R229 WeakPolarHBondContact O-CB 3.42Å; S225-R229 VanDerWaalsContact O-CG 3.22Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-N 3.1Å
226	D	97.1	Very high	94.3	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-44.3	177.3	-64.3	-45.1	0	0	0	110.8	F221 E222 T223 Y224 R229 E230	F221-D226 HydrophobicContact CD1-CB 4.28Å; E222-D226 PolarHBondContact N-OD2 3.24Å; T223-D226 PolarHBondContact N-OD2 2.95Å; T223-D226 VanDerWaalsContact N-OD2 3.14Å; T223-D226 WeakPolarHBondContact O-CB 3.3Å; T223-D226 PolarHBondContact O-N 3.49Å; T223-D226 VanDerWaalsContact O-N 3.09Å; T223-D226 PolarHBondContact OG1-N 3.35Å; T223-D226 PolarHBondContact OG1-OD2 2.77Å; Y224-D226 VanDerWaalsContact C-N 3.31Å; Y224-D226 PolarHBondContact O-N 2.76Å; D226-R229 PolarHBondContact O-N 3.45Å; D226-E230 PolarHBondContact O-N 3.38Å
227	W	98	Very high	95.9	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-42.2	177.1	-67.7	96	0	0	0	112.1	F221 T223 Y224 R229 E230 I231 V241 P255 Y257 V259 K437 M441	F221-W227 HydrophobicContact CB-CZ2 4.02Å; F221-W227 HydrophobicContact CD1-CD2 4.02Å; F221-W227 HydrophobicContact CD1-CE3 4.21Å; F221-W227 HydrophobicContact CD1-CG 4.43Å; F221-W227 HydrophobicContact CD1-CZ2 4.43Å; F221-W227 PolarHBondContact O-NE1 2.87Å; T223-W227 VanDerWaalsContact O-CD1 3.32Å; Y224-W227 PolarHBondContact O-N 2.94Å; W227-R229 VanDerWaalsContact C-N 3.35Å; W227-R229 PolarHBondContact O-N 3.41Å; W227-E230 PolarHBondContact O-N 3.21Å; W227-I231 WeakPolarHBondContact O-CG1 3.39Å; W227-I231 PolarHBondContact O-N 3.16Å; W227-V241 HydrophobicContact CB-CG1 4.02Å; W227-V241 HydrophobicContact CB-CG2 3.71Å; W227-P255 HydrophobicContact CZ2-CG 4.05Å; W227-Y257 PolarHBondContact NE1-O 3.41Å; W227-V259 HydrophobicContact CB-CG2 3.99Å; W227-V259 HydrophobicContact CD2-CG2 4.18Å; W227-V259 HydrophobicContact CE3-CG2 3.6Å; W227-V259 HydrophobicContact CG-CG2 4.38Å; W227-V259 HydrophobicContact CZ3-CG2 4.42Å; W227-K437 HydrophobicContact CH2-CG 4.02Å; W227-K437 HydrophobicContact CZ3-CD 4.26Å; W227-K437 HydrophobicContact CZ3-CG 4.06Å; W227-M441 HydrophobicContact CZ2-CB 4.39Å
228	D	98	Very high	96.5	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-39.3	176.9	177.3	68.9	0	0	0	112.3	Y224 E230 I231 K232 V241	Y224-D228 HydrophobicContact CD1-CB 4.4Å; Y224-D228 HydrophobicContact CE1-CB 4.17Å; Y224-D228 PolarHBondContact O-N 2.87Å; D228-E230 VanDerWaalsContact C-N 3.33Å; D228-E230 PolarHBondContact O-N 3.36Å; D228-I231 PolarHBondContact O-N 2.88Å; D228-K232 WeakPolarHBondContact O-CG 3.49Å; D228-K232 PolarHBondContact O-N 2.98Å; D228-K232 IonicContact OD1-NZ 3.15Å; D228-K232 WeakPolarHBondContact OD2-CE 3.24Å; D228-K232 IonicContact OD2-NZ 2.84Å; D228-K232 PolarHBondContact OD2-NZ 3.06Å; D228-V241 HydrophobicContact CB-CG2 4.04Å
229	R	97.7	Very high	96.7	Very high	174 Å²	174	52.2 Å²	52.2	66%	0.657	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-39.1	173.2	-73.9	173.1	-165.7	-173.7	5.8	112.2	S225 D226 W227 K232 R233	S225-R229 WeakPolarHBondContact O-CB 3.42Å; S225-R229 VanDerWaalsContact O-CG 3.22Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-N 3.1Å; D226-R229 PolarHBondContact O-N 3.45Å; W227-R229 VanDerWaalsContact C-N 3.35Å; W227-R229 PolarHBondContact O-N 3.41Å; R229-K232 PolarHBondContact O-N 3.21Å; R229-R233 WeakPolarHBondContact O-CB 3.45Å; R229-R233 PolarHBondContact O-N 3.3Å
230	E	97.4	Very high	96.8	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-37.2	178.6	-176.6	64	-178.6	0	0	112.3	F221 D226 W227 D228 K232 R233 T234 W284 K437	F221-E230 HydrophobicContact CE1-CB 3.75Å; F221-E230 HydrophobicContact CE1-CG 3.94Å; F221-E230 HydrophobicContact CZ-CB 4.36Å; F221-E230 HydrophobicContact CZ-CG 4.28Å; D226-E230 PolarHBondContact O-N 3.38Å; W227-E230 PolarHBondContact O-N 3.21Å; D228-E230 VanDerWaalsContact C-N 3.33Å; D228-E230 PolarHBondContact O-N 3.36Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.43Å; E230-R233 PolarHBondContact O-N 2.68Å; E230-R233 IonicContact OE1-CZ 2.68Å; E230-R233 IonicContact OE1-NE 3.64Å; E230-R233 IonicContact OE1-NH2 2.8Å; E230-R233 PolarHBondContact OE1-NH2 3.08Å; E230-R233 IonicContact OE2-CZ 2.78Å; E230-R233 IonicContact OE2-NE 3.6Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 3.5Å; E230-T234 WeakPolarHBondContact O-CG2 3.45Å; E230-T234 PolarHBondContact O-N 2.92Å; E230-T234 PolarHBondContact O-OG1 3.05Å; E230-W284 HydrophobicContact CG-CH2 3.92Å; E230-W284 HydrophobicContact CG-CZ3 3.98Å; E230-K437 HydrophobicContact CG-CD 4.29Å; E230-K437 IonicContact OE1-NZ 3.62Å; E230-K437 PolarHBondContact OE1-NZ 3.26Å; E230-K437 VanDerWaalsContact OE1-NZ 3.09Å
231	I	97.9	Very high	96.9	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-47.4	169	-71.5	174.1	0	0	0	110.2	W227 D228 T234 G235 A236 V241 V259 W284	W227-I231 WeakPolarHBondContact O-CG1 3.39Å; W227-I231 PolarHBondContact O-N 3.16Å; D228-I231 PolarHBondContact O-N 2.88Å; I231-T234 PolarHBondContact O-N 3.04Å; I231-T234 PolarHBondContact O-OG1 3.3Å; I231-T234 VanDerWaalsContact O-OG1 3.13Å; I231-G235 PolarHBondContact O-N 3.46Å; I231-A236 HydrophobicContact CG2-CB 4.12Å; I231-A236 PolarHBondContact O-N 3.25Å; I231-V241 HydrophobicContact CD1-CG2 3.68Å; I231-V259 HydrophobicContact CD1-CB 4.43Å; I231-V259 HydrophobicContact CD1-CG1 3.66Å; I231-V259 HydrophobicContact CD1-CG2 3.86Å; I231-V259 HydrophobicContact CG1-CG1 3.97Å; I231-V259 HydrophobicContact CG1-CG2 4.21Å; I231-W284 HydrophobicContact CG1-CH2 4.29Å; I231-W284 HydrophobicContact CG1-CZ3 4.31Å
232	K	97.7	Very high	96.9	Very high	144 Å²	144	51.3 Å²	51.3	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-64.7	-41.1	178.8	-73	167.7	178.8	168	0	112.4	D228 R229 E230 T234 G235	D228-K232 WeakPolarHBondContact O-CG 3.49Å; D228-K232 PolarHBondContact O-N 2.98Å; D228-K232 IonicContact OD1-NZ 3.15Å; D228-K232 WeakPolarHBondContact OD2-CE 3.24Å; D228-K232 IonicContact OD2-NZ 2.84Å; D228-K232 PolarHBondContact OD2-NZ 3.06Å; R229-K232 PolarHBondContact O-N 3.21Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.43Å; K232-T234 VanDerWaalsContact C-N 3.32Å; K232-T234 PolarHBondContact O-N 3.31Å; K232-G235 PolarHBondContact O-N 2.94Å
233	R	96.6	Very high	97.1	Very high	85 Å²	85	50.6 Å²	50.6	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-39.6	178.4	-169.8	-165.8	67.7	76.8	-3.1	112.1	R229 E230 D422	R229-R233 WeakPolarHBondContact O-CB 3.45Å; R229-R233 PolarHBondContact O-N 3.3Å; E230-R233 PolarHBondContact O-N 2.68Å; E230-R233 IonicContact OE1-CZ 2.68Å; E230-R233 IonicContact OE1-NE 3.64Å; E230-R233 IonicContact OE1-NH2 2.8Å; E230-R233 PolarHBondContact OE1-NH2 3.08Å; E230-R233 IonicContact OE2-CZ 2.78Å; E230-R233 IonicContact OE2-NE 3.6Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 3.5Å; R233-D422 IonicContact CZ-OD2 3.79Å; R233-D422 VanDerWaalsContact CZ-OD2 3.23Å; R233-D422 IonicContact NH1-OD1 3.31Å; R233-D422 IonicContact NH1-OD2 2.65Å; R233-D422 PolarHBondContact NH1-OD2 2.76Å; R233-D422 IonicContact NH2-OD2 2.82Å; R233-D422 PolarHBondContact NH2-OD2 3.26Å
234	T	96.9	Very high	97.1	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-87	-9.8	-179.3	55.2	0	0	0	0	113.5	E230 I231 K232 A236 W284 W286	E230-T234 WeakPolarHBondContact O-CG2 3.45Å; E230-T234 PolarHBondContact O-N 2.92Å; E230-T234 PolarHBondContact O-OG1 3.05Å; I231-T234 PolarHBondContact O-N 3.04Å; I231-T234 PolarHBondContact O-OG1 3.3Å; I231-T234 VanDerWaalsContact O-OG1 3.13Å; K232-T234 VanDerWaalsContact C-N 3.32Å; K232-T234 PolarHBondContact O-N 3.31Å; T234-A236 VanDerWaalsContact C-N 3.31Å; T234-W284 HydrophobicContact CG2-CH2 4.28Å; T234-W284 HydrophobicContact CG2-CZ2 4.34Å; T234-W284 WeakPolarHBondContact OG1-CZ2 3.39Å; T234-W286 VanDerWaalsContact CG2-CD1 3.49Å; T234-W286 HydrophobicContact CG2-CG 4.33Å
235	G	96.3	Very high	97.1	Very high	56 Å²	56	43.1 Å²	43.1	58%	0.577	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	25.4	-177	0	0	0	0	0	113.6	I231 K232 S237	I231-G235 PolarHBondContact O-N 3.46Å; K232-G235 PolarHBondContact O-N 2.94Å; G235-S237 PolarHBondContact O-N 3.37Å
236	A	96.8	Very high	97	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.033	23%	0.234	C	C	.	.			trans	-76.3	59.7	-174.2	0	0	0	0	0	113.3	I231 T234 G238 W239 W284 S287	I231-A236 HydrophobicContact CG2-CB 4.12Å; I231-A236 PolarHBondContact O-N 3.25Å; T234-A236 VanDerWaalsContact C-N 3.31Å; A236-G238 VanDerWaalsContact C-N 3.27Å; A236-G238 PolarHBondContact O-N 3.3Å; A236-W239 HydrophobicContact CB-CB 4.24Å; A236-W239 HydrophobicContact CB-CG 4.23Å; A236-W239 WeakPolarHBondContact O-CB 3.31Å; A236-W239 PolarHBondContact O-N 3.21Å; A236-W284 HydrophobicContact CB-CZ2 3.75Å; A236-S287 WeakPolarHBondContact CB-OG 3.14Å
237	S	93	Very high	96.9	Very high	107 Å²	107	45.5 Å²	45.5	75%	0.748	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	-172.6	59.6	0	0	0	0	115.5	G235 W239	G235-S237 PolarHBondContact O-N 3.37Å; S237-W239 PolarHBondContact O-N 3.07Å
238	G	96.9	Very high	96.7	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.1	175.2	0	0	0	0	0	115	A236 S262 S320	A236-G238 VanDerWaalsContact C-N 3.27Å; A236-G238 PolarHBondContact O-N 3.3Å; G238-S262 PolarHBondContact O-N 3.48Å; G238-S262 PolarHBondContact O-OG 3.34Å; G238-S320 WeakPolarHBondContact O-CB 3.47Å
239	W	98.3	Very high	96.5	Very high	13 Å²	13	51.5 Å²	51.5	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.1	-172.8	-59.7	79.5	0	0	0	111.1	A236 S237 V259 V260 P261 S262 W284 A293 V295 I317 S320	A236-W239 HydrophobicContact CB-CB 4.24Å; A236-W239 HydrophobicContact CB-CG 4.23Å; A236-W239 WeakPolarHBondContact O-CB 3.31Å; A236-W239 PolarHBondContact O-N 3.21Å; S237-W239 PolarHBondContact O-N 3.07Å; W239-V259 HydrophobicContact CB-CG1 3.86Å; W239-V259 HydrophobicContact CE3-CG1 4.27Å; W239-V260 WeakPolarHBondContact CA-O 3.31Å; W239-P261 HydrophobicContact CE3-CG 4.12Å; W239-P261 HydrophobicContact CH2-CG 3.75Å; W239-P261 HydrophobicContact CZ2-CG 4.41Å; W239-P261 HydrophobicContact CZ3-CG 3.6Å; W239-S262 VanDerWaalsContact C-OG 3.29Å; W239-W284 HydrophobicContact CD2-CB 4.35Å; W239-W284 AromaticContact CD2-CD1 3.38Å; W239-W284 AromaticContact CD2-CG 3.99Å; W239-W284 HydrophobicContact CD2-CG 3.99Å; W239-W284 AromaticContact CD2-NE1 3.98Å; W239-W284 AromaticContact CE2-CD1 3.63Å; W239-W284 HydrophobicContact CE3-CB 3.54Å; W239-W284 AromaticContact CE3-CD1 3.44Å; W239-W284 VanDerWaalsContact CE3-CD1 3.44Å; W239-W284 AromaticContact CE3-CG 3.67Å; W239-W284 HydrophobicContact CE3-CG 3.67Å; W239-W284 AromaticContact CG-CD1 3.96Å; W239-W284 HydrophobicContact CH2-CB 4.48Å; W239-W284 AromaticContact CZ2-CD1 3.98Å; W239-W284 HydrophobicContact CZ3-CB 3.6Å; W239-W284 AromaticContact CZ3-CD1 3.75Å; W239-W284 HydrophobicContact CZ3-CG 4.03Å; W239-A293 HydrophobicContact CH2-CB 4.16Å; W239-A293 HydrophobicContact CZ2-CB 3.26Å; W239-V295 HydrophobicContact CH2-CG2 3.44Å; W239-V295 VanDerWaalsContact CH2-CG2 3.44Å; W239-V295 HydrophobicContact CZ2-CG2 4.15Å; W239-V295 HydrophobicContact CZ3-CG2 4.21Å; W239-I317 HydrophobicContact CH2-CG1 4.13Å; W239-I317 HydrophobicContact CZ2-CG2 4.4Å; W239-S320 VanDerWaalsContact CZ2-OG 3.29Å; W239-S320 WeakPolarHBondContact CZ2-OG 3.31Å; W239-S320 PolarHBondContact NE1-OG 3.13Å
240	R	97.7	Very high	96.4	Very high	61 Å²	61	44.4 Å²	44.4	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	178	67.5	178.8	179	87.8	1.9	111.5	V259 V260 L264 D266	R240-V259 WeakPolarHBondContact O-CA 3.34Å; R240-V260 HydrophobicContact CG-CG2 4.07Å; R240-V260 PolarHBondContact N-O 3.14Å; R240-V260 PolarHBondContact O-N 3.12Å; R240-L264 PolarHBondContact NH2-O 3.15Å; R240-D266 IonicContact CZ-OD1 2.83Å; R240-D266 VanDerWaalsContact CZ-OD1 3.27Å; R240-D266 IonicContact NH1-OD1 2.87Å; R240-D266 PolarHBondContact NH1-OD1 3.11Å; R240-D266 IonicContact NH1-OD2 3.23Å; R240-D266 IonicContact NH2-OD1 3.61Å; R240-D266 PolarHBondContact NH2-OD1 3.26Å
241	V	98.1	Very high	96.2	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.4	166.4	-170	0	0	0	0	108.8	Y224 W227 D228 I231 I258 V259	Y224-V241 HydrophobicContact CD2-CB 3.86Å; Y224-V241 HydrophobicContact CD2-CG1 3.42Å; Y224-V241 VanDerWaalsContact CD2-CG1 3.42Å; Y224-V241 HydrophobicContact CE1-CB 4.25Å; Y224-V241 HydrophobicContact CE1-CG2 4.36Å; Y224-V241 HydrophobicContact CE2-CB 3.45Å; Y224-V241 VanDerWaalsContact CE2-CB 3.45Å; Y224-V241 HydrophobicContact CE2-CG1 3.57Å; Y224-V241 HydrophobicContact CE2-CG2 4.39Å; Y224-V241 HydrophobicContact CG-CB 4.42Å; Y224-V241 HydrophobicContact CG-CG1 3.96Å; W227-V241 HydrophobicContact CB-CG1 4.02Å; W227-V241 HydrophobicContact CB-CG2 3.71Å; D228-V241 HydrophobicContact CB-CG2 4.04Å; I231-V241 HydrophobicContact CD1-CG2 3.68Å; V241-I258 CarbonylContact C-O 3.47Å; V241-V259 HydrophobicContact CG2-CG2 4.28Å
242	C	96.8	Very high	96.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.2	-176.7	177.2	0	0	0	0	109	I244 Y257 I258 V260 D266	C242-I244 VanDerWaalsContact SG-CG1 3.58Å; C242-Y257 WeakPolarHBondContact O-CA 3.14Å; C242-I258 HydrophobicContact CB-CG1 4.19Å; C242-I258 WeakPolarHBondContact CB-O 3.07Å; C242-I258 PolarHBondContact N-O 2.93Å; C242-I258 PolarHBondContact O-N 3.05Å; C242-I258 VanDerWaalsContact O-N 3.07Å; C242-V260 HydrophobicContact CB-CG1 4.35Å; C242-V260 HydrophobicContact CB-CG2 3.7Å; C242-D266 PolarHBondContact SG-OD1 3.25Å; C242-D266 VanDerWaalsContact SG-OD1 3.39Å
243	S	96.8	Very high	95.8	Very high	50 Å²	50	40.9 Å²	40.9	35%	0.35	25%	0.245	S	C	.	.			trans	-106.2	13	-175.6	56.1	0	0	0	0	113.4	N245 E246	S243-N245 PolarHBondContact O-N 3.16Å; S243-E246 VanDerWaalsContact O-CB 3.24Å; S243-E246 WeakPolarHBondContact O-CB 3.38Å; S243-E246 PolarHBondContact O-N 2.91Å
244	I	96.1	Very high	95.7	Very high	18 Å²	18	37 Å²	37	9%	0.092	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22	179.9	65.3	-179.4	0	0	0	113.5	C242 I250 D266 L269 M281	C242-I244 VanDerWaalsContact SG-CG1 3.58Å; I244-I250 VanDerWaalsContact O-CG1 3.25Å; I244-I250 WeakPolarHBondContact O-CG1 3.41Å; I244-D266 HydrophobicContact CG2-CB 3.53Å; I244-D266 VanDerWaalsContact CG2-CG 3.41Å; I244-L269 HydrophobicContact CD1-CB 3.43Å; I244-L269 VanDerWaalsContact CD1-CB 3.43Å; I244-L269 HydrophobicContact CD1-CD1 3.94Å; I244-L269 HydrophobicContact CD1-CG 4.31Å; I244-M281 HydrophobicContact CD1-CE 3.99Å; I244-M281 HydrophobicContact CD1-SD 3.75Å; I244-M281 HydrophobicContact CG1-CE 4.19Å
245	N	96.5	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11.6	178.9	-161.2	45.3	0	0	0	113.1	S243 G247 Y248 I250 S251 L254 P255 E256 M281	S243-N245 PolarHBondContact O-N 3.16Å; N245-G247 PolarHBondContact O-N 3.23Å; N245-Y248 VanDerWaalsContact O-CA 3.23Å; N245-Y248 WeakPolarHBondContact O-CA 3.31Å; N245-Y248 PolarHBondContact O-N 2.86Å; N245-I250 WeakPolarHBondContact OD1-CB 3.45Å; N245-I250 PolarHBondContact OD1-N 2.77Å; N245-S251 PolarHBondContact ND2-O 2.87Å; N245-S251 PolarHBondContact OD1-N 3.42Å; N245-S251 PolarHBondContact OD1-O 3.42Å; N245-L254 PolarHBondContact ND2-O 2.82Å; N245-P255 PolarHBondContact ND2-O 2.88Å; N245-E256 CarbonylContact C-O 3.54Å; N245-E256 WeakPolarHBondContact O-CA 3.04Å; N245-M281 HydrophobicContact CB-CE 4.25Å
246	E	96.2	Very high	95.6	Very high	92 Å²	92	34.5 Å²	34.5	43%	0.43	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-54.4	137.8	171.4	-176.3	162.9	-143.5	0	0	110.3	S243 Y248 M249 E256 Y257	S243-E246 VanDerWaalsContact O-CB 3.24Å; S243-E246 WeakPolarHBondContact O-CB 3.38Å; S243-E246 PolarHBondContact O-N 2.91Å; E246-Y248 PolarHBondContact O-N 2.94Å; E246-M249 WeakPolarHBondContact O-CG 3.44Å; E246-M249 PolarHBondContact O-N 2.8Å; E246-E256 PolarHBondContact N-O 2.84Å; E246-Y257 PolarHBondContact OE1-OH 3.03Å
247	G	94.6	Very high	95.6	Very high	45 Å²	45	35.8 Å²	35.8	46%	0.464	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	66.6	11.1	-170.4	0	0	0	0	0	114.7	N245 M249 E256	N245-G247 PolarHBondContact O-N 3.23Å; G247-M249 PolarHBondContact O-N 3.31Å; G247-E256 PolarHBondContact N-OE1 2.89Å
248	Y	95.3	Very high	95.8	Very high	22 Å²	22	30.7 Å²	30.7	9%	0.086	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	59.7	29	-175.5	-48.9	-80.5	0	0	0	113.9	N245 E246 I250 L254 E256 P508 H509 V512	N245-Y248 VanDerWaalsContact O-CA 3.23Å; N245-Y248 WeakPolarHBondContact O-CA 3.31Å; N245-Y248 PolarHBondContact O-N 2.86Å; E246-Y248 PolarHBondContact O-N 2.94Å; Y248-I250 PolarHBondContact O-N 3.28Å; Y248-L254 WeakPolarHBondContact CD1-O 3.26Å; Y248-E256 HydrophobicContact CD1-CG 4.23Å; Y248-E256 HydrophobicContact CD2-CG 4.31Å; Y248-E256 HydrophobicContact CE1-CG 3.84Å; Y248-E256 HydrophobicContact CE2-CG 3.9Å; Y248-E256 HydrophobicContact CG-CG 4.48Å; Y248-P508 HydrophobicContact CE1-CB 4.18Å; Y248-P508 VanDerWaalsContact OH-C 3.28Å; Y248-P508 WeakPolarHBondContact OH-CB 3.21Å; Y248-P508 PolarHBondContact OH-O 3.31Å; Y248-H509 HydrophobicContact CD1-CB 3.59Å; Y248-H509 HydrophobicContact CD2-CB 4.01Å; Y248-H509 AromaticContact CD2-CD2 3.57Å; Y248-H509 HydrophobicContact CE1-CB 3.69Å; Y248-H509 HydrophobicContact CE2-CB 4.13Å; Y248-H509 HydrophobicContact CG-CB 3.73Å; Y248-H509 AromaticContact CG-CD2 3.59Å; Y248-H509 PolarHBondContact OH-N 3.03Å; Y248-V512 HydrophobicContact CE2-CB 4.37Å; Y248-V512 HydrophobicContact CE2-CG2 4.22Å
249	M	94	Very high	95.8	Very high	151 Å²	151	30 Å²	30	74%	0.744	16%	0.163	S	C	*	.	S	Bend	trans	-64.6	-23.1	-173.1	-68.5	-64.1	-68.5	0	0	114.2	E246 G247	E246-M249 WeakPolarHBondContact O-CG 3.44Å; E246-M249 PolarHBondContact O-N 2.8Å; G247-M249 PolarHBondContact O-N 3.31Å
250	I	94.1	Very high	95.8	Very high	24 Å²	24	29.4 Å²	29.4	12%	0.123	16%	0.161	C	C	.	.	S	Bend	trans	-104.1	-50.3	-178.1	-61.1	-63.1	0	0	0	111.3	I244 N245 Y248 K270 S273 R279 M281	I244-I250 VanDerWaalsContact O-CG1 3.25Å; I244-I250 WeakPolarHBondContact O-CG1 3.41Å; N245-I250 WeakPolarHBondContact OD1-CB 3.45Å; N245-I250 PolarHBondContact OD1-N 2.77Å; Y248-I250 PolarHBondContact O-N 3.28Å; I250-K270 HydrophobicContact CD1-CG 4.03Å; I250-S273 WeakPolarHBondContact CG2-OG 3.47Å; I250-R279 WeakPolarHBondContact O-CD 3.43Å; I250-R279 PolarHBondContact O-NH1 2.95Å; I250-M281 HydrophobicContact CG2-CE 4.16Å
251	S	94.8	Very high	95.8	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	15%	0.151	C	C	.	.			trans	-142.9	126.2	-179.1	-179.4	0	0	0	0	111.4	N245 C253 G278 R279	N245-S251 PolarHBondContact ND2-O 2.87Å; N245-S251 PolarHBondContact OD1-N 3.42Å; N245-S251 PolarHBondContact OD1-O 3.42Å; S251-C253 PolarHBondContact O-N 2.83Å; S251-C253 PolarHBondContact OG-N 3.01Å; S251-G278 PolarHBondContact OG-O 3.38Å; S251-R279 WeakPolarHBondContact CB-O 3.43Å
252	T	95	Very high	95.8	Very high	68 Å²	68	29.3 Å²	29.3	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.6	172.5	57.3	0	0	0	0	113.4	S507 H509	T252-S507 PolarHBondContact O-OG 3.21Å; T252-S507 VanDerWaalsContact O-OG 3.05Å; T252-H509 VanDerWaalsContact O-CB 3.31Å; T252-H509 WeakPolarHBondContact O-CB 3.43Å
253	C	91.9	Very high	95.8	Very high	20 Å²	20	31.4 Å²	31.4	14%	0.135	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-20.4	178	-62.2	0	0	0	0	112.1	S251 R280	S251-C253 PolarHBondContact O-N 2.83Å; S251-C253 PolarHBondContact OG-N 3.01Å; C253-R280 VanDerWaalsContact C-NH1 3.33Å; C253-R280 HydrophobicContact CB-CG 3.94Å; C253-R280 PolarHBondContact O-NH1 3.19Å
254	L	94.1	Very high	95.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-97.5	158.3	179.4	-73	173.4	0	0	0	111.5	N245 Y248 I258 R280 M281	N245-L254 PolarHBondContact ND2-O 2.82Å; Y248-L254 WeakPolarHBondContact CD1-O 3.26Å; L254-I258 HydrophobicContact CB-CG2 4.39Å; L254-R280 HydrophobicContact CD2-CG 4.4Å; L254-R280 HydrophobicContact CG-CG 4.21Å; L254-M281 HydrophobicContact CD1-CE 3.47Å; L254-M281 VanDerWaalsContact CD1-CE 3.47Å; L254-M281 HydrophobicContact CD1-CG 3.74Å; L254-M281 HydrophobicContact CD1-SD 4.41Å
255	P	95.4	Very high	95.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.184	C	C	.	.			trans	-66.4	162.2	168.3	21.8	-22.4	0	0	0	111.6	W227 N245 Y257 I258 M441	W227-P255 HydrophobicContact CZ2-CG 4.05Å; N245-P255 PolarHBondContact ND2-O 2.88Å; P255-Y257 PolarHBondContact O-N 2.78Å; P255-I258 HydrophobicContact CG-CG2 4.02Å; P255-M441 HydrophobicContact CB-CB 4.4Å; P255-M441 HydrophobicContact CB-CE 3.91Å; P255-M441 WeakPolarHBondContact CD-O 3.41Å; P255-M441 HydrophobicContact CG-CB 4.48Å; P255-M441 VanDerWaalsContact CG-O 3.27Å; P255-M441 WeakPolarHBondContact CG-O 3.48Å
256	E	95.8	Very high	95.8	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.089	20%	0.198	C	C	.	.	S	Bend	trans	-60.4	-36.7	179.4	-71.4	-169.6	93.9	0	0	112.2	N245 E246 G247 Y248 K530	N245-E256 CarbonylContact C-O 3.54Å; N245-E256 WeakPolarHBondContact O-CA 3.04Å; E246-E256 PolarHBondContact N-O 2.84Å; G247-E256 PolarHBondContact N-OE1 2.89Å; Y248-E256 HydrophobicContact CD1-CG 4.23Å; Y248-E256 HydrophobicContact CD2-CG 4.31Å; Y248-E256 HydrophobicContact CE1-CG 3.84Å; Y248-E256 HydrophobicContact CE2-CG 3.9Å; Y248-E256 HydrophobicContact CG-CG 4.48Å; E256-K530 IonicContact OE1-NZ 3.78Å; E256-K530 PolarHBondContact OE1-NZ 2.86Å; E256-K530 IonicContact OE2-NZ 2.71Å; E256-K530 PolarHBondContact OE2-NZ 2.9Å
257	Y	97.2	Very high	95.7	Very high	31 Å²	31	34.6 Å²	34.6	12%	0.122	20%	0.204	C	C	.	.	S	Bend	trans	-114.4	130.7	177.3	-50.7	-73.2	0	0	0	109.4	E222 Y224 W227 C242 E246 P255	E222-Y257 WeakPolarHBondContact O-CE2 3.33Å; Y224-Y257 HydrophobicContact CD2-CD1 4.27Å; W227-Y257 PolarHBondContact NE1-O 3.41Å; C242-Y257 WeakPolarHBondContact O-CA 3.14Å; E246-Y257 PolarHBondContact OE1-OH 3.03Å; P255-Y257 PolarHBondContact O-N 2.78Å
258	I	96	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160.1	176.1	58.3	156.1	0	0	0	109.9	V241 C242 L254 P255 V260 M281 L283	V241-I258 CarbonylContact C-O 3.47Å; C242-I258 HydrophobicContact CB-CG1 4.19Å; C242-I258 WeakPolarHBondContact CB-O 3.07Å; C242-I258 PolarHBondContact N-O 2.93Å; C242-I258 PolarHBondContact O-N 3.05Å; C242-I258 VanDerWaalsContact O-N 3.07Å; L254-I258 HydrophobicContact CB-CG2 4.39Å; P255-I258 HydrophobicContact CG-CG2 4.02Å; I258-V260 HydrophobicContact CD1-CG1 3.67Å; I258-V260 HydrophobicContact CG1-CG1 4.22Å; I258-M281 HydrophobicContact CD1-CE 3.53Å; I258-M281 HydrophobicContact CD1-CG 3.7Å; I258-M281 HydrophobicContact CD1-SD 3.78Å; I258-M281 HydrophobicContact CG1-CE 4.41Å; I258-L283 HydrophobicContact CB-CD1 3.88Å; I258-L283 HydrophobicContact CG2-CD1 3.86Å
259	V	98.2	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.8	177.5	176.9	0	0	0	0	110	W227 I231 W239 R240 V241 W284	W227-V259 HydrophobicContact CB-CG2 3.99Å; W227-V259 HydrophobicContact CD2-CG2 4.18Å; W227-V259 HydrophobicContact CE3-CG2 3.6Å; W227-V259 HydrophobicContact CG-CG2 4.38Å; W227-V259 HydrophobicContact CZ3-CG2 4.42Å; I231-V259 HydrophobicContact CD1-CB 4.43Å; I231-V259 HydrophobicContact CD1-CG1 3.66Å; I231-V259 HydrophobicContact CD1-CG2 3.86Å; I231-V259 HydrophobicContact CG1-CG1 3.97Å; I231-V259 HydrophobicContact CG1-CG2 4.21Å; W239-V259 HydrophobicContact CB-CG1 3.86Å; W239-V259 HydrophobicContact CE3-CG1 4.27Å; R240-V259 WeakPolarHBondContact O-CA 3.34Å; V241-V259 HydrophobicContact CG2-CG2 4.28Å; V259-W284 HydrophobicContact CB-CB 3.81Å; V259-W284 HydrophobicContact CB-CD2 4.11Å; V259-W284 HydrophobicContact CB-CE3 3.66Å; V259-W284 HydrophobicContact CB-CG 4.22Å; V259-W284 HydrophobicContact CG1-CB 3.68Å; V259-W284 HydrophobicContact CG1-CD2 3.66Å; V259-W284 HydrophobicContact CG1-CE3 3.62Å; V259-W284 HydrophobicContact CG1-CG 3.73Å; V259-W284 HydrophobicContact CG1-CZ3 4.41Å; V259-W284 HydrophobicContact CG2-CE3 3.99Å; V259-W284 HydrophobicContact CG2-CZ3 4.41Å; V259-W284 VanDerWaalsContact O-CB 3.25Å; V259-W284 WeakPolarHBondContact O-CB 3.48Å; V259-W284 PolarHBondContact O-N 3.06Å; V259-W284 VanDerWaalsContact O-N 3.09Å
260	V	97.6	Very high	95.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.7	-173.2	-60.1	0	0	0	0	110.6	W239 R240 C242 I258 S262 L269	W239-V260 WeakPolarHBondContact CA-O 3.31Å; R240-V260 HydrophobicContact CG-CG2 4.07Å; R240-V260 PolarHBondContact N-O 3.14Å; R240-V260 PolarHBondContact O-N 3.12Å; C242-V260 HydrophobicContact CB-CG1 4.35Å; C242-V260 HydrophobicContact CB-CG2 3.7Å; I258-V260 HydrophobicContact CD1-CG1 3.67Å; I258-V260 HydrophobicContact CG1-CG1 4.22Å; V260-S262 PolarHBondContact O-N 3.19Å; V260-L269 HydrophobicContact CB-CD1 4.33Å; V260-L269 HydrophobicContact CG1-CD1 4.06Å; V260-L269 HydrophobicContact CG1-CD2 4.5Å; V260-L269 HydrophobicContact CG2-CD1 4Å
261	P	98	Very high	95.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135.4	172.9	-23.4	33.7	0	0	0	111	W239 S263 L264 A316 I317	W239-P261 HydrophobicContact CE3-CG 4.12Å; W239-P261 HydrophobicContact CH2-CG 3.75Å; W239-P261 HydrophobicContact CZ2-CG 4.41Å; W239-P261 HydrophobicContact CZ3-CG 3.6Å; P261-S263 PolarHBondContact O-N 2.88Å; P261-L264 HydrophobicContact CB-CG 4.41Å; P261-L264 HydrophobicContact CG-CD1 4.21Å; P261-L264 HydrophobicContact CG-CG 4.47Å; P261-L264 PolarHBondContact O-N 2.87Å; P261-A316 HydrophobicContact CB-CB 4.01Å; P261-A316 HydrophobicContact CG-CB 4.22Å; P261-I317 HydrophobicContact CG-CG1 4.05Å
262	S	97.5	Very high	95.7	Very high	61 Å²	61	34.5 Å²	34.5	43%	0.427	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.3	-178.8	-60.3	0	0	0	0	113.4	G238 W239 V260	G238-S262 PolarHBondContact O-N 3.48Å; G238-S262 PolarHBondContact O-OG 3.34Å; W239-S262 VanDerWaalsContact C-OG 3.29Å; V260-S262 PolarHBondContact O-N 3.19Å
263	S	97.1	Very high	95.7	Very high	46 Å²	46	31.2 Å²	31.2	32%	0.322	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.6	178	66.7	0	0	0	0	115.1	P261 A316	P261-S263 PolarHBondContact O-N 2.88Å; S263-A316 WeakPolarHBondContact OG-CA 3.41Å; S263-A316 WeakPolarHBondContact OG-CB 3.12Å; S263-A316 PolarHBondContact OG-O 3.4Å
264	L	95.8	Very high	95.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.185	C	C	.	.	S	Bend	trans	-85	124.8	170.2	-70.4	-177.7	0	0	0	109.5	R240 P261 L269 R312 A316	R240-L264 PolarHBondContact NH2-O 3.15Å; P261-L264 HydrophobicContact CB-CG 4.41Å; P261-L264 HydrophobicContact CG-CD1 4.21Å; P261-L264 HydrophobicContact CG-CG 4.47Å; P261-L264 PolarHBondContact O-N 2.87Å; L264-L269 HydrophobicContact CB-CD2 4.44Å; L264-L269 HydrophobicContact CB-CG 4.44Å; L264-L269 HydrophobicContact CD1-CD2 3.96Å; L264-R312 HydrophobicContact CD2-CG 4.26Å; L264-A316 HydrophobicContact CD1-CB 4.14Å; L264-A316 HydrophobicContact CD2-CB 3.41Å; L264-A316 VanDerWaalsContact CD2-CB 3.41Å; L264-A316 HydrophobicContact CG-CB 3.45Å; L264-A316 VanDerWaalsContact CG-CB 3.45Å
265	A	95.9	Very high	95.9	Very high	48 Å²	48	35.3 Å²	35.3	40%	0.397	19%	0.189	S	C	.	.			trans	-78.4	149.9	175.5	0	0	0	0	0	111.2	Q267 D268 L269	A265-Q267 PolarHBondContact O-N 3.16Å; A265-D268 WeakPolarHBondContact O-CB 3.41Å; A265-D268 PolarHBondContact O-N 3.32Å; A265-D268 VanDerWaalsContact O-N 3.15Å; A265-L269 PolarHBondContact O-N 3.26Å; A265-L269 VanDerWaalsContact O-N 3.17Å
266	D	96.4	Very high	95.9	Very high	57 Å²	57	35.3 Å²	35.3	31%	0.305	19%	0.189	S	C	.	.	H	α-helix	trans	-60.5	-33.7	178	-73.6	-7.5	0	0	0	112.6	R240 C242 I244 L269 K270	R240-D266 IonicContact CZ-OD1 2.83Å; R240-D266 VanDerWaalsContact CZ-OD1 3.27Å; R240-D266 IonicContact NH1-OD1 2.87Å; R240-D266 PolarHBondContact NH1-OD1 3.11Å; R240-D266 IonicContact NH1-OD2 3.23Å; R240-D266 IonicContact NH2-OD1 3.61Å; R240-D266 PolarHBondContact NH2-OD1 3.26Å; C242-D266 PolarHBondContact SG-OD1 3.25Å; C242-D266 VanDerWaalsContact SG-OD1 3.39Å; I244-D266 HydrophobicContact CG2-CB 3.53Å; I244-D266 VanDerWaalsContact CG2-CG 3.41Å; D266-L269 PolarHBondContact O-N 3.02Å; D266-K270 WeakPolarHBondContact O-CG 3.37Å; D266-K270 PolarHBondContact O-N 3.15Å
267	Q	96	Very high	95.8	Very high	119 Å²	119	36 Å²	36	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-64.9	-41.1	176.7	-171.4	62	18	0	0	112.2	A265 K270 I271	A265-Q267 PolarHBondContact O-N 3.16Å; Q267-K270 PolarHBondContact O-N 3.32Å; Q267-I271 HydrophobicContact CG-CD1 4.24Å; Q267-I271 WeakPolarHBondContact O-CG1 3.3Å; Q267-I271 PolarHBondContact O-N 3.48Å; Q267-I271 VanDerWaalsContact O-N 3.13Å
268	D	94.2	Very high	95.6	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-47.6	175.3	-75.4	-14.4	0	0	0	110	A265 K270 I271 F272 R312	A265-D268 WeakPolarHBondContact O-CB 3.41Å; A265-D268 PolarHBondContact O-N 3.32Å; A265-D268 VanDerWaalsContact O-N 3.15Å; D268-K270 PolarHBondContact O-N 2.96Å; D268-I271 PolarHBondContact O-N 3.15Å; D268-F272 HydrophobicContact CB-CD2 4.21Å; D268-F272 HydrophobicContact CB-CE2 3.62Å; D268-F272 HydrophobicContact CB-CZ 3.91Å; D268-F272 WeakPolarHBondContact O-CB 3.35Å; D268-F272 WeakPolarHBondContact O-CD1 3.49Å; D268-F272 VanDerWaalsContact O-CD2 3.26Å; D268-F272 WeakPolarHBondContact O-CD2 3.13Å; D268-F272 WeakPolarHBondContact O-CG 3.34Å; D268-F272 PolarHBondContact O-N 3.44Å; D268-R312 IonicContact OD2-CZ 2.6Å; D268-R312 IonicContact OD2-NE 3.63Å; D268-R312 PolarHBondContact OD2-NE 3.07Å; D268-R312 IonicContact OD2-NH2 2.64Å; D268-R312 PolarHBondContact OD2-NH2 3.41Å
269	L	94.6	Very high	95.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-44	179.6	-67.2	170.4	0	0	0	112.2	I244 V260 L264 A265 D266 I271 F272 S273	I244-L269 HydrophobicContact CD1-CB 3.43Å; I244-L269 VanDerWaalsContact CD1-CB 3.43Å; I244-L269 HydrophobicContact CD1-CD1 3.94Å; I244-L269 HydrophobicContact CD1-CG 4.31Å; V260-L269 HydrophobicContact CB-CD1 4.33Å; V260-L269 HydrophobicContact CG1-CD1 4.06Å; V260-L269 HydrophobicContact CG1-CD2 4.5Å; V260-L269 HydrophobicContact CG2-CD1 4Å; L264-L269 HydrophobicContact CB-CD2 4.44Å; L264-L269 HydrophobicContact CB-CG 4.44Å; L264-L269 HydrophobicContact CD1-CD2 3.96Å; A265-L269 PolarHBondContact O-N 3.26Å; A265-L269 VanDerWaalsContact O-N 3.17Å; D266-L269 PolarHBondContact O-N 3.02Å; L269-I271 VanDerWaalsContact C-N 3.33Å; L269-I271 PolarHBondContact O-N 2.91Å; L269-F272 PolarHBondContact O-N 3.3Å; L269-S273 VanDerWaalsContact O-CB 3.3Å; L269-S273 WeakPolarHBondContact O-CB 3.42Å; L269-S273 PolarHBondContact O-N 3.38Å
270	K	95.2	Very high	95.2	Very high	89 Å²	89	41.6 Å²	41.6	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-58.5	-44.6	175.9	-73.8	176.1	-177.5	179.8	0	111.5	I250 D266 Q267 D268 S273 H274	I250-K270 HydrophobicContact CD1-CG 4.03Å; D266-K270 WeakPolarHBondContact O-CG 3.37Å; D266-K270 PolarHBondContact O-N 3.15Å; Q267-K270 PolarHBondContact O-N 3.32Å; D268-K270 PolarHBondContact O-N 2.96Å; K270-S273 PolarHBondContact O-OG 3.39Å; K270-H274 PolarHBondContact O-CE1 2.91Å; K270-H274 VanDerWaalsContact O-CE1 3.32Å; K270-H274 PolarHBondContact O-ND1 2.79Å
271	I	94.3	Very high	94.9	Very high	92 Å²	92	41.7 Å²	41.7	47%	0.472	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-54.3	178.2	-66.2	166.5	0	0	0	110.1	Q267 D268 L269 S273 H274	Q267-I271 HydrophobicContact CG-CD1 4.24Å; Q267-I271 WeakPolarHBondContact O-CG1 3.3Å; Q267-I271 PolarHBondContact O-N 3.48Å; Q267-I271 VanDerWaalsContact O-N 3.13Å; D268-I271 PolarHBondContact O-N 3.15Å; L269-I271 VanDerWaalsContact C-N 3.33Å; L269-I271 PolarHBondContact O-N 2.91Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.05Å; I271-H274 PolarHBondContact O-N 3.34Å; I271-H274 PolarHBondContact O-ND1 3.27Å
272	F	94.2	Very high	94.6	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.096	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-29.7	-174.3	-57	-22	0	0	0	113	D268 L269 H274 S275 F276 I309 R312	D268-F272 HydrophobicContact CB-CD2 4.21Å; D268-F272 HydrophobicContact CB-CE2 3.62Å; D268-F272 HydrophobicContact CB-CZ 3.91Å; D268-F272 WeakPolarHBondContact O-CB 3.35Å; D268-F272 WeakPolarHBondContact O-CD1 3.49Å; D268-F272 VanDerWaalsContact O-CD2 3.26Å; D268-F272 WeakPolarHBondContact O-CD2 3.13Å; D268-F272 WeakPolarHBondContact O-CG 3.34Å; D268-F272 PolarHBondContact O-N 3.44Å; L269-F272 PolarHBondContact O-N 3.3Å; F272-H274 PolarHBondContact O-N 2.92Å; F272-S275 WeakPolarHBondContact O-CB 3.39Å; F272-S275 PolarHBondContact O-N 3.29Å; F272-F276 HydrophobicContact CB-CE2 4.24Å; F272-F276 VanDerWaalsContact O-CD2 3.27Å; F272-F276 WeakPolarHBondContact O-CD2 3.41Å; F272-I309 HydrophobicContact CB-CD1 4.29Å; F272-I309 HydrophobicContact CB-CG1 4.49Å; F272-I309 HydrophobicContact CB-CG2 4.14Å; F272-I309 HydrophobicContact CD1-CD1 4.08Å; F272-I309 HydrophobicContact CD1-CG1 3.77Å; F272-I309 HydrophobicContact CD2-CG2 4.37Å; F272-I309 HydrophobicContact CE1-CG1 4.22Å; F272-I309 HydrophobicContact CG-CD1 4.38Å; F272-I309 HydrophobicContact CG-CG1 4.12Å; F272-I309 HydrophobicContact CG-CG2 4.14Å; F272-R312 HydrophobicContact CE2-CB 4.34Å; F272-R312 HydrophobicContact CE2-CG 3.66Å; F272-R312 HydrophobicContact CZ-CB 4.49Å; F272-R312 HydrophobicContact CZ-CG 3.9Å
273	S	94.3	Very high	94.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-51.7	-34	-179.8	71.3	0	0	0	0	113	I250 L269 K270 I271 S275 F276 R279	I250-S273 WeakPolarHBondContact CG2-OG 3.47Å; L269-S273 VanDerWaalsContact O-CB 3.3Å; L269-S273 WeakPolarHBondContact O-CB 3.42Å; L269-S273 PolarHBondContact O-N 3.38Å; K270-S273 PolarHBondContact O-OG 3.39Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.05Å; S273-S275 PolarHBondContact O-N 2.74Å; S273-F276 PolarHBondContact O-N 2.83Å; S273-R279 VanDerWaalsContact O-CA 3.25Å; S273-R279 WeakPolarHBondContact O-CA 3.42Å; S273-R279 WeakPolarHBondContact O-CB 3.35Å; S273-R279 WeakPolarHBondContact O-CG 3.49Å
274	H	94.8	Very high	94.4	Very high	95 Å²	95	37 Å²	37	44%	0.44	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27	179.9	-64.3	86.6	0	0	0	113.6	K270 I271 F272 K301	K270-H274 PolarHBondContact O-CE1 2.91Å; K270-H274 VanDerWaalsContact O-CE1 3.32Å; K270-H274 PolarHBondContact O-ND1 2.79Å; I271-H274 PolarHBondContact O-N 3.34Å; I271-H274 PolarHBondContact O-ND1 3.27Å; F272-H274 PolarHBondContact O-N 2.92Å; H274-K301 WeakPolarHBondContact O-CE 3.26Å
275	S	95.4	Very high	94.5	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.4	-178.6	-57.8	0	0	0	0	113.2	F272 S273 I300 K301 I309	F272-S275 WeakPolarHBondContact O-CB 3.39Å; F272-S275 PolarHBondContact O-N 3.29Å; S273-S275 PolarHBondContact O-N 2.74Å; S275-I300 CarbonylContact O-C 3.6Å; S275-I300 WeakPolarHBondContact O-CA 3.48Å; S275-I300 WeakPolarHBondContact O-CG2 3.3Å; S275-K301 WeakPolarHBondContact O-CG 3.4Å; S275-K301 PolarHBondContact O-N 3.26Å; S275-I309 VanDerWaalsContact CB-CD1 3.46Å; S275-I309 WeakPolarHBondContact OG-CD1 3.26Å
276	F	95	Very high	94.7	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-86.7	146.1	177.1	-75.2	-85.5	0	0	0	112.5	F272 S273 G278 R279 R280 P282 M297 A298 I300 I309 I313	F272-F276 HydrophobicContact CB-CE2 4.24Å; F272-F276 VanDerWaalsContact O-CD2 3.27Å; F272-F276 WeakPolarHBondContact O-CD2 3.41Å; S273-F276 PolarHBondContact O-N 2.83Å; F276-G278 PolarHBondContact O-N 3.4Å; F276-R279 PolarHBondContact O-N 2.61Å; F276-R279 VanDerWaalsContact O-N 3.08Å; F276-R280 WeakPolarHBondContact CD1-O 3.32Å; F276-P282 HydrophobicContact CZ-CG 4.36Å; F276-M297 HydrophobicContact CE1-CE 3.84Å; F276-M297 HydrophobicContact CE1-CG 3.69Å; F276-M297 HydrophobicContact CE1-SD 4.23Å; F276-M297 HydrophobicContact CZ-CE 4.25Å; F276-M297 HydrophobicContact CZ-CG 4.44Å; F276-A298 HydrophobicContact CD1-CB 4.45Å; F276-A298 VanDerWaalsContact CD1-O 3.31Å; F276-A298 WeakPolarHBondContact CD1-O 3.35Å; F276-A298 WeakPolarHBondContact CE1-O 3.36Å; F276-I300 HydrophobicContact CD1-CG1 3.96Å; F276-I300 HydrophobicContact CE1-CD1 4.23Å; F276-I300 HydrophobicContact CE1-CG1 3.48Å; F276-I300 VanDerWaalsContact CE1-CG1 3.48Å; F276-I300 HydrophobicContact CE2-CG1 4.39Å; F276-I300 HydrophobicContact CZ-CD1 4.1Å; F276-I300 HydrophobicContact CZ-CG1 3.7Å; F276-I309 HydrophobicContact CE2-CG2 3.92Å; F276-I309 HydrophobicContact CZ-CG2 3.97Å; F276-I313 HydrophobicContact CE2-CD1 4.1Å; F276-I313 HydrophobicContact CZ-CD1 3.52Å
277	V	94.4	Very high	94.7	Very high	33 Å²	33	32.7 Å²	32.7	20%	0.2	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.1	132.1	165.8	176.9	0	0	0	0	109.1	R279 R280 L299 K301 E404 E405	V277-R279 PolarHBondContact O-N 2.95Å; V277-R280 PolarHBondContact O-N 3.24Å; V277-L299 HydrophobicContact CG2-CB 4.31Å; V277-L299 WeakPolarHBondContact CG2-O 3.43Å; V277-L299 PolarHBondContact N-O 2.82Å; V277-K301 HydrophobicContact CG2-CB 4.17Å; V277-E404 WeakPolarHBondContact CB-O 3.48Å; V277-E405 HydrophobicContact CG1-CG 4.17Å
278	G	91.9	Very high	94.8	Very high	39 Å²	39	27.9 Å²	27.9	40%	0.402	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	59.7	12.8	-175.5	0	0	0	0	0	115.4	S251 F276 R280	S251-G278 PolarHBondContact OG-O 3.38Å; F276-G278 PolarHBondContact O-N 3.4Å; G278-R280 PolarHBondContact O-N 3.26Å
279	R	94.7	Very high	94.8	Very high	101 Å²	101	31.6 Å²	31.6	38%	0.381	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	54.1	30.7	-168.8	-56.1	-178.1	176.9	-167.2	-2.8	113.5	I250 S251 S273 F276 V277 M281	I250-R279 WeakPolarHBondContact O-CD 3.43Å; I250-R279 PolarHBondContact O-NH1 2.95Å; S251-R279 WeakPolarHBondContact CB-O 3.43Å; S273-R279 VanDerWaalsContact O-CA 3.25Å; S273-R279 WeakPolarHBondContact O-CA 3.42Å; S273-R279 WeakPolarHBondContact O-CB 3.35Å; S273-R279 WeakPolarHBondContact O-CG 3.49Å; F276-R279 PolarHBondContact O-N 2.61Å; F276-R279 VanDerWaalsContact O-N 3.08Å; V277-R279 PolarHBondContact O-N 2.95Å; R279-M281 PolarHBondContact O-N 2.97Å
280	R	92.6	Very high	94.9	Very high	9 Å²	9	33 Å²	33	3%	0.034	18%	0.178	C	C	.	.			trans	-87.9	84.5	-177.8	-68.9	-178.4	63.7	84.7	-3.5	110.8	C253 L254 F276 V277 G278 A298 E405 G406 R407 A442	C253-R280 VanDerWaalsContact C-NH1 3.33Å; C253-R280 HydrophobicContact CB-CG 3.94Å; C253-R280 PolarHBondContact O-NH1 3.19Å; L254-R280 HydrophobicContact CD2-CG 4.4Å; L254-R280 HydrophobicContact CG-CG 4.21Å; F276-R280 WeakPolarHBondContact CD1-O 3.32Å; V277-R280 PolarHBondContact O-N 3.24Å; G278-R280 PolarHBondContact O-N 3.26Å; R280-A298 HydrophobicContact CB-CB 3.77Å; R280-E405 WeakPolarHBondContact CD-O 3.1Å; R280-E405 PolarHBondContact NE-O 3.31Å; R280-E405 VanDerWaalsContact NE-O 3.15Å; R280-G406 PolarHBondContact NE-O 3.42Å; R280-G406 PolarHBondContact NH2-O 3.42Å; R280-R407 VanDerWaalsContact CZ-CG 3.49Å; R280-A442 PolarHBondContact NH1-O 2.75Å; R280-A442 PolarHBondContact NH2-O 3.42Å
281	M	89.6	Confident	94.9	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.02	17%	0.166	C	C	.	.			trans	-60.6	162.1	170.6	60.5	-153.7	150.4	0	0	112.2	I244 N245 I250 L254 I258 R279 L283	I244-M281 HydrophobicContact CD1-CE 3.99Å; I244-M281 HydrophobicContact CD1-SD 3.75Å; I244-M281 HydrophobicContact CG1-CE 4.19Å; N245-M281 HydrophobicContact CB-CE 4.25Å; I250-M281 HydrophobicContact CG2-CE 4.16Å; L254-M281 HydrophobicContact CD1-CE 3.47Å; L254-M281 VanDerWaalsContact CD1-CE 3.47Å; L254-M281 HydrophobicContact CD1-CG 3.74Å; L254-M281 HydrophobicContact CD1-SD 4.41Å; I258-M281 HydrophobicContact CD1-CE 3.53Å; I258-M281 HydrophobicContact CD1-CG 3.7Å; I258-M281 HydrophobicContact CD1-SD 3.78Å; I258-M281 HydrophobicContact CG1-CE 4.41Å; R279-M281 PolarHBondContact O-N 2.97Å; M281-L283 PolarHBondContact O-N 3.28Å
282	P	92.8	Very high	95.1	Very high	7 Å²	7	25 Å²	25	5%	0.045	14%	0.143	C	C	.	.			trans	-54.3	132.8	-179	-24.2	31.5	0	0	0	112.8	F276 V295 R296 M297 I313	F276-P282 HydrophobicContact CZ-CG 4.36Å; P282-V295 HydrophobicContact CB-CG1 3.93Å; P282-R296 CarbonylContact C-O 3.57Å; P282-R296 VanDerWaalsContact CA-O 3.3Å; P282-R296 WeakPolarHBondContact CA-O 3.47Å; P282-M297 HydrophobicContact CG-CG 4.08Å; P282-M297 HydrophobicContact CG-SD 4.07Å; P282-I313 HydrophobicContact CB-CG2 4.35Å; P282-I313 HydrophobicContact CG-CD1 3.64Å; P282-I313 HydrophobicContact CG-CG1 4.12Å; P282-I313 HydrophobicContact CG-CG2 3.68Å
283	L	92.9	Very high	95.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118	-179.2	179.2	63.9	0	0	0	109.1	I258 M281 V295 R296 A442	I258-L283 HydrophobicContact CB-CD1 3.88Å; I258-L283 HydrophobicContact CG2-CD1 3.86Å; M281-L283 PolarHBondContact O-N 3.28Å; L283-V295 CarbonylContact O-C 3.48Å; L283-V295 WeakPolarHBondContact O-CA 3.02Å; L283-R296 VanDerWaalsContact CD2-NH2 3.29Å; L283-R296 PolarHBondContact N-O 2.81Å; L283-R296 PolarHBondContact O-N 3.37Å; L283-A442 HydrophobicContact CD2-CB 4.19Å
284	W	98.1	Very high	95.5	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.3	168.9	174	85.5	0	0	0	111.1	E230 I231 T234 A236 W239 V259 W286 S287	E230-W284 HydrophobicContact CG-CH2 3.92Å; E230-W284 HydrophobicContact CG-CZ3 3.98Å; I231-W284 HydrophobicContact CG1-CH2 4.29Å; I231-W284 HydrophobicContact CG1-CZ3 4.31Å; T234-W284 HydrophobicContact CG2-CH2 4.28Å; T234-W284 HydrophobicContact CG2-CZ2 4.34Å; T234-W284 WeakPolarHBondContact OG1-CZ2 3.39Å; A236-W284 HydrophobicContact CB-CZ2 3.75Å; W239-W284 HydrophobicContact CD2-CB 4.35Å; W239-W284 AromaticContact CD2-CD1 3.38Å; W239-W284 AromaticContact CD2-CG 3.99Å; W239-W284 HydrophobicContact CD2-CG 3.99Å; W239-W284 AromaticContact CD2-NE1 3.98Å; W239-W284 AromaticContact CE2-CD1 3.63Å; W239-W284 HydrophobicContact CE3-CB 3.54Å; W239-W284 AromaticContact CE3-CD1 3.44Å; W239-W284 VanDerWaalsContact CE3-CD1 3.44Å; W239-W284 AromaticContact CE3-CG 3.67Å; W239-W284 HydrophobicContact CE3-CG 3.67Å; W239-W284 AromaticContact CG-CD1 3.96Å; W239-W284 HydrophobicContact CH2-CB 4.48Å; W239-W284 AromaticContact CZ2-CD1 3.98Å; W239-W284 HydrophobicContact CZ3-CB 3.6Å; W239-W284 AromaticContact CZ3-CD1 3.75Å; W239-W284 HydrophobicContact CZ3-CG 4.03Å; V259-W284 HydrophobicContact CB-CB 3.81Å; V259-W284 HydrophobicContact CB-CD2 4.11Å; V259-W284 HydrophobicContact CB-CE3 3.66Å; V259-W284 HydrophobicContact CB-CG 4.22Å; V259-W284 HydrophobicContact CG1-CB 3.68Å; V259-W284 HydrophobicContact CG1-CD2 3.66Å; V259-W284 HydrophobicContact CG1-CE3 3.62Å; V259-W284 HydrophobicContact CG1-CG 3.73Å; V259-W284 HydrophobicContact CG1-CZ3 4.41Å; V259-W284 HydrophobicContact CG2-CE3 3.99Å; V259-W284 HydrophobicContact CG2-CZ3 4.41Å; V259-W284 VanDerWaalsContact O-CB 3.25Å; V259-W284 WeakPolarHBondContact O-CB 3.48Å; V259-W284 PolarHBondContact O-N 3.06Å; V259-W284 VanDerWaalsContact O-N 3.09Å; W284-W286 VanDerWaalsContact NE1-C 3.3Å; W284-W286 PolarHBondContact NE1-O 2.9Å; W284-S287 PolarHBondContact NE1-OG 3.3Å
285	C	98.2	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-49.8	175.1	-67.9	0	0	0	0	111.2	L294 R296 K437 E438	C285-L294 HydrophobicContact CB-CB 4.38Å; C285-L294 HydrophobicContact CB-CD2 4.18Å; C285-L294 HydrophobicContact CB-CG 4.12Å; C285-L294 WeakPolarHBondContact CB-O 3.14Å; C285-L294 PolarHBondContact N-O 3.47Å; C285-R296 VanDerWaalsContact SG-CG 3.55Å; C285-R296 PolarHBondContact SG-NE 3.48Å; C285-K437 PolarHBondContact O-NZ 3.12Å; C285-E438 WeakPolarHBondContact CA-OE1 3.49Å; C285-E438 WeakPolarHBondContact CB-OE1 3.35Å; C285-E438 PolarHBondContact SG-OE2 3.44Å
286	W	98.4	Very high	95.8	Very high	13 Å²	13	19 Å²	19	5%	0.049	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	157.9	-168.4	-174	85.5	0	0	0	111.7	T234 W284 H288 L294 Q418 L421 D422 F425	T234-W286 VanDerWaalsContact CG2-CD1 3.49Å; T234-W286 HydrophobicContact CG2-CG 4.33Å; W284-W286 VanDerWaalsContact NE1-C 3.3Å; W284-W286 PolarHBondContact NE1-O 2.9Å; W286-H288 HydrophobicContact CE3-CB 4.46Å; W286-H288 HydrophobicContact CH2-CB 3.77Å; W286-H288 AromaticContact CH2-CD2 3.38Å; W286-H288 WeakPolarHBondContact CH2-CD2 3.44Å; W286-H288 AromaticContact CH2-CG 3.92Å; W286-H288 HydrophobicContact CZ3-CB 3.49Å; W286-H288 VanDerWaalsContact CZ3-CB 3.49Å; W286-H288 AromaticContact CZ3-CD2 3.72Å; W286-H288 VanDerWaalsContact CZ3-N 3.25Å; W286-L294 PolarHBondContact N-O 2.83Å; W286-L294 PolarHBondContact O-N 2.76Å; W286-Q418 HydrophobicContact CB-CG 3.75Å; W286-Q418 HydrophobicContact CD2-CG 4.44Å; W286-Q418 HydrophobicContact CG-CG 3.88Å; W286-L421 HydrophobicContact CE3-CD1 4.38Å; W286-L421 HydrophobicContact CH2-CB 3.74Å; W286-L421 HydrophobicContact CH2-CD1 4.12Å; W286-L421 HydrophobicContact CH2-CG 4.45Å; W286-L421 HydrophobicContact CZ2-CB 4.32Å; W286-L421 HydrophobicContact CZ3-CB 4.09Å; W286-L421 HydrophobicContact CZ3-CD1 3.62Å; W286-L421 HydrophobicContact CZ3-CG 4.43Å; W286-D422 HydrophobicContact CZ2-CB 3.9Å; W286-D422 PolarHBondContact NE1-OD2 2.9Å; W286-F425 AromaticContact CD1-CE2 3.77Å; W286-F425 AromaticContact NE1-CE2 3.96Å
287	S	98.1	Very high	95.8	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.7	171.9	-64.6	0	0	0	0	111.7	A236 W284 S292	A236-S287 WeakPolarHBondContact CB-OG 3.14Å; W284-S287 PolarHBondContact NE1-OG 3.3Å; S287-S292 WeakPolarHBondContact CA-O 3.21Å
288	H	97.3	Very high	95.9	Very high	19 Å²	19	17.8 Å²	17.8	9%	0.088	11%	0.107	C	C	.	.			trans	-75.4	155.1	173.2	-164.4	-91.9	0	0	0	111.1	W286 N290 G291 S292 E393	W286-H288 HydrophobicContact CE3-CB 4.46Å; W286-H288 HydrophobicContact CH2-CB 3.77Å; W286-H288 AromaticContact CH2-CD2 3.38Å; W286-H288 WeakPolarHBondContact CH2-CD2 3.44Å; W286-H288 AromaticContact CH2-CG 3.92Å; W286-H288 HydrophobicContact CZ3-CB 3.49Å; W286-H288 VanDerWaalsContact CZ3-CB 3.49Å; W286-H288 AromaticContact CZ3-CD2 3.72Å; W286-H288 VanDerWaalsContact CZ3-N 3.25Å; H288-N290 VanDerWaalsContact CB-OD1 3.32Å; H288-N290 WeakPolarHBondContact CB-OD1 3.28Å; H288-N290 PolarHBondContact ND1-N 2.78Å; H288-N290 PolarHBondContact ND1-ND2 3.02Å; H288-N290 PolarHBondContact ND1-OD1 3.13Å; H288-N290 VanDerWaalsContact ND1-OD1 3.11Å; H288-N290 PolarHBondContact O-N 2.93Å; H288-G291 WeakPolarHBondContact O-CA 3.2Å; H288-G291 PolarHBondContact O-N 2.83Å; H288-S292 WeakPolarHBondContact CB-O 3.45Å; H288-S292 PolarHBondContact N-O 3.42Å; H288-E393 IonicContact CD2-OE2 2.86Å; H288-E393 IonicContact CE1-OE2 2.98Å; H288-E393 PolarHBondContact CE1-OE2 3.36Å; H288-E393 IonicContact ND1-OE2 2.66Å; H288-E393 IonicContact NE2-OE2 2.61Å; H288-E393 PolarHBondContact NE2-OE2 3.01Å
289	S	94.9	Very high	96.1	Very high	115 Å²	115	18.6 Å²	18.6	80%	0.804	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.7	179.3	61.3	0	0	0	0	113.8	G291	S289-G291 VanDerWaalsContact C-N 3.29Å
290	N	95.7	Very high	96.1	Very high	32 Å²	32	14.2 Å²	14.2	17%	0.171	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.1	171.8	68.6	7.9	0	0	0	113.4	H288 S292 L392 H396	H288-N290 VanDerWaalsContact CB-OD1 3.32Å; H288-N290 WeakPolarHBondContact CB-OD1 3.28Å; H288-N290 PolarHBondContact ND1-N 2.78Å; H288-N290 PolarHBondContact ND1-ND2 3.02Å; H288-N290 PolarHBondContact ND1-OD1 3.13Å; H288-N290 VanDerWaalsContact ND1-OD1 3.11Å; H288-N290 PolarHBondContact O-N 2.93Å; N290-S292 VanDerWaalsContact OD1-CB 3.23Å; N290-S292 WeakPolarHBondContact OD1-CB 3.46Å; N290-S292 PolarHBondContact OD1-N 2.98Å; N290-S292 PolarHBondContact OD1-OG 3.1Å; N290-L392 PolarHBondContact ND2-O 3.16Å; N290-H396 PolarHBondContact ND2-CD2 3.4Å
291	G	96.5	Very high	96.1	Very high	13 Å²	13	20.2 Å²	20.2	13%	0.134	11%	0.112	C	C	.	.	S	Bend	trans	97.3	-6.4	-178.9	0	0	0	0	0	115.7	H288 S289 H321	H288-G291 WeakPolarHBondContact O-CA 3.2Å; H288-G291 PolarHBondContact O-N 2.83Å; S289-G291 VanDerWaalsContact C-N 3.29Å; G291-H321 PolarHBondContact O-CD2 2.74Å
292	S	98.2	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.			trans	-66.6	130.5	175.4	-66.4	0	0	0	0	111.3	S287 H288 N290 H321 H396 L397	S287-S292 WeakPolarHBondContact CA-O 3.21Å; H288-S292 WeakPolarHBondContact CB-O 3.45Å; H288-S292 PolarHBondContact N-O 3.42Å; N290-S292 VanDerWaalsContact OD1-CB 3.23Å; N290-S292 WeakPolarHBondContact OD1-CB 3.46Å; N290-S292 PolarHBondContact OD1-N 2.98Å; N290-S292 PolarHBondContact OD1-OG 3.1Å; S292-H321 PolarHBondContact N-CD2 2.87Å; S292-H321 PolarHBondContact N-NE2 2.83Å; S292-H321 PolarHBondContact OG-NE2 2.97Å; S292-H396 WeakPolarHBondContact OG-CA 3.48Å; S292-H396 PolarHBondContact OG-O 2.64Å; S292-H396 VanDerWaalsContact OG-O 3.1Å; S292-L397 WeakPolarHBondContact CB-O 3.41Å; S292-L397 PolarHBondContact OG-N 3.37Å; S292-L397 PolarHBondContact OG-O 3.02Å
293	A	98.5	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.2	-176.5	0	0	0	0	0	112.1	W239 V295 S398 V399	W239-A293 HydrophobicContact CH2-CB 4.16Å; W239-A293 HydrophobicContact CZ2-CB 3.26Å; A293-V295 HydrophobicContact CB-CG2 4.39Å; A293-S398 PolarHBondContact N-OG 3.01Å; A293-S398 VanDerWaalsContact N-OG 3.09Å; A293-S398 CarbonylContact O-C 3.56Å; A293-S398 VanDerWaalsContact O-CA 3.26Å; A293-S398 WeakPolarHBondContact O-CA 3.37Å; A293-S398 WeakPolarHBondContact O-CB 3.1Å; A293-V399 PolarHBondContact O-N 2.98Å
294	L	98.7	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.4	168.8	-179	65.2	0	0	0	109.2	C285 W286 V399 L401 A414 V417 Q418	C285-L294 HydrophobicContact CB-CB 4.38Å; C285-L294 HydrophobicContact CB-CD2 4.18Å; C285-L294 HydrophobicContact CB-CG 4.12Å; C285-L294 WeakPolarHBondContact CB-O 3.14Å; C285-L294 PolarHBondContact N-O 3.47Å; W286-L294 PolarHBondContact N-O 2.83Å; W286-L294 PolarHBondContact O-N 2.76Å; L294-V399 WeakPolarHBondContact CA-O 3.34Å; L294-V399 HydrophobicContact CD1-CB 4.07Å; L294-V399 HydrophobicContact CD1-CG1 3.94Å; L294-L401 HydrophobicContact CD1-CD1 4.14Å; L294-L401 HydrophobicContact CD1-CD2 4.31Å; L294-L401 HydrophobicContact CD1-CG 4.02Å; L294-A414 HydrophobicContact CD2-CB 4.11Å; L294-V417 HydrophobicContact CD2-CB 4.09Å; L294-V417 HydrophobicContact CD2-CG1 3.83Å; L294-Q418 HydrophobicContact CD2-CG 4.35Å
295	V	98.4	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.3	-173.3	-174.9	0	0	0	0	109.5	W239 P282 L283 A293 I317 V399 V400 L401	W239-V295 HydrophobicContact CH2-CG2 3.44Å; W239-V295 VanDerWaalsContact CH2-CG2 3.44Å; W239-V295 HydrophobicContact CZ2-CG2 4.15Å; W239-V295 HydrophobicContact CZ3-CG2 4.21Å; P282-V295 HydrophobicContact CB-CG1 3.93Å; L283-V295 CarbonylContact O-C 3.48Å; L283-V295 WeakPolarHBondContact O-CA 3.02Å; A293-V295 HydrophobicContact CB-CG2 4.39Å; V295-I317 HydrophobicContact CG1-CD1 4.37Å; V295-I317 HydrophobicContact CG2-CD1 4.18Å; V295-V399 PolarHBondContact N-O 3.43Å; V295-V400 HydrophobicContact CB-CG2 4.14Å; V295-V400 CarbonylContact O-C 3.29Å; V295-V400 WeakPolarHBondContact O-CA 3.45Å; V295-L401 PolarHBondContact O-N 2.86Å
296	R	97.2	Very high	95.3	Very high	6 Å²	6	42 Å²	42	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141	169.4	-69.4	-178.1	-65.9	173.3	-10.6	110.4	P282 L283 C285 L401 C411 A414 E438 A442	P282-R296 CarbonylContact C-O 3.57Å; P282-R296 VanDerWaalsContact CA-O 3.3Å; P282-R296 WeakPolarHBondContact CA-O 3.47Å; L283-R296 VanDerWaalsContact CD2-NH2 3.29Å; L283-R296 PolarHBondContact N-O 2.81Å; L283-R296 PolarHBondContact O-N 3.37Å; C285-R296 VanDerWaalsContact SG-CG 3.55Å; C285-R296 PolarHBondContact SG-NE 3.48Å; R296-L401 HydrophobicContact CG-CB 4.29Å; R296-L401 HydrophobicContact CG-CD1 4.13Å; R296-C411 PolarHBondContact NH1-SG 3.07Å; R296-A414 HydrophobicContact CG-CB 4.4Å; R296-E438 IonicContact CZ-OE2 3.79Å; R296-E438 IonicContact NE-OE2 2.76Å; R296-E438 PolarHBondContact NE-OE2 2.74Å; R296-E438 PolarHBondContact NH1-O 2.94Å; R296-E438 IonicContact NH1-OE2 2.68Å; R296-E438 IonicContact NH2-OE2 2.83Å; R296-E438 PolarHBondContact NH2-OE2 3.42Å; R296-A442 VanDerWaalsContact NH1-CB 3.28Å
297	M	95.8	Very high	95.2	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.3	-177.5	-179.4	175	139.6	0	0	110.1	F276 P282 I300 I313 V400 L401 Q402 E403	F276-M297 HydrophobicContact CE1-CE 3.84Å; F276-M297 HydrophobicContact CE1-CG 3.69Å; F276-M297 HydrophobicContact CE1-SD 4.23Å; F276-M297 HydrophobicContact CZ-CE 4.25Å; F276-M297 HydrophobicContact CZ-CG 4.44Å; P282-M297 HydrophobicContact CG-CG 4.08Å; P282-M297 HydrophobicContact CG-SD 4.07Å; M297-I300 HydrophobicContact CE-CD1 3.72Å; M297-I300 HydrophobicContact CE-CG1 4.03Å; M297-I313 HydrophobicContact SD-CD1 4.48Å; M297-I313 HydrophobicContact SD-CG2 4.34Å; M297-V400 HydrophobicContact CB-CG1 3.69Å; M297-V400 HydrophobicContact SD-CG1 4.18Å; M297-L401 PolarHBondContact N-O 3.36Å; M297-Q402 WeakPolarHBondContact O-CA 3.25Å; M297-E403 PolarHBondContact O-N 3.02Å
298	A	96	Very high	95.1	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	164.3	171.4	0	0	0	0	0	111.1	F276 R280 E403	F276-A298 HydrophobicContact CD1-CB 4.45Å; F276-A298 VanDerWaalsContact CD1-O 3.31Å; F276-A298 WeakPolarHBondContact CD1-O 3.35Å; F276-A298 WeakPolarHBondContact CE1-O 3.36Å; R280-A298 HydrophobicContact CB-CB 3.77Å; A298-E403 VanDerWaalsContact CA-O 3.29Å; A298-E403 WeakPolarHBondContact CA-O 3.3Å
299	L	94.9	Very high	95	Very high	56 Å²	56	57.3 Å²	57.3	29%	0.293	29%	0.287	S	S	.	.			trans	-66	146.4	175.6	-68.4	-178.9	0	0	0	112	V277 E403 E404	V277-L299 HydrophobicContact CG2-CB 4.31Å; V277-L299 WeakPolarHBondContact CG2-O 3.43Å; V277-L299 PolarHBondContact N-O 2.82Å; L299-E403 PolarHBondContact N-O 2.97Å; L299-E404 HydrophobicContact CD1-CB 4.12Å; L299-E404 HydrophobicContact CD1-CG 4.29Å; L299-E404 PolarHBondContact N-O 3.42Å
300	I	95.1	Very high	95	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.046	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-87.7	108.3	171.1	-58.4	163.7	0	0	0	107.2	S275 F276 M297 D302 Q306 I309 D310	S275-I300 CarbonylContact O-C 3.6Å; S275-I300 WeakPolarHBondContact O-CA 3.48Å; S275-I300 WeakPolarHBondContact O-CG2 3.3Å; F276-I300 HydrophobicContact CD1-CG1 3.96Å; F276-I300 HydrophobicContact CE1-CD1 4.23Å; F276-I300 HydrophobicContact CE1-CG1 3.48Å; F276-I300 VanDerWaalsContact CE1-CG1 3.48Å; F276-I300 HydrophobicContact CE2-CG1 4.39Å; F276-I300 HydrophobicContact CZ-CD1 4.1Å; F276-I300 HydrophobicContact CZ-CG1 3.7Å; M297-I300 HydrophobicContact CE-CD1 3.72Å; M297-I300 HydrophobicContact CE-CG1 4.03Å; I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 HydrophobicContact CG2-CB 4.5Å; I300-Q306 HydrophobicContact CB-CB 4.4Å; I300-Q306 HydrophobicContact CB-CG 4.14Å; I300-Q306 HydrophobicContact CD1-CG 4.35Å; I300-Q306 HydrophobicContact CG2-CB 4.13Å; I300-Q306 HydrophobicContact CG2-CG 4.42Å; I300-I309 HydrophobicContact CD1-CB 4.01Å; I300-I309 HydrophobicContact CD1-CG2 3.71Å; I300-I309 HydrophobicContact CG1-CG2 4.41Å; I300-I309 HydrophobicContact CG2-CD1 4.48Å; I300-D310 HydrophobicContact CD1-CB 4.1Å
301	K	92.8	Very high	95.1	Very high	135 Å²	135	58 Å²	58	59%	0.587	28%	0.278	S	S	*	.			trans	-73.6	-23.8	-179.3	55.2	169.8	-179.3	-178.8	0	113.4	H274 S275 V277 V303	H274-K301 WeakPolarHBondContact O-CE 3.26Å; S275-K301 WeakPolarHBondContact O-CG 3.4Å; S275-K301 PolarHBondContact O-N 3.26Å; V277-K301 HydrophobicContact CG2-CB 4.17Å; K301-V303 PolarHBondContact O-N 3.36Å
302	D	88.3	Confident	95.1	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.294	29%	0.287	S	S	.	.			trans	-82.4	95.6	176.9	-176.6	-14.5	0	0	0	109.9	I300 L304 Q305 Q306	I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 HydrophobicContact CG2-CB 4.5Å; D302-L304 PolarHBondContact O-N 2.87Å; D302-L304 WeakPolarHBondContact OD1-CB 3.35Å; D302-L304 PolarHBondContact OD1-N 3.26Å; D302-Q305 HydrophobicContact CB-CB 4.3Å; D302-Q305 PolarHBondContact O-N 3.45Å; D302-Q305 PolarHBondContact OD1-N 2.84Å; D302-Q305 VanDerWaalsContact OD1-N 3.16Å; D302-Q305 WeakPolarHBondContact OD2-CG 3.28Å; D302-Q306 WeakPolarHBondContact O-CB 3.25Å; D302-Q306 PolarHBondContact O-N 2.95Å
303	V	90.2	Very high	95	Very high	111 Å²	111	61.8 Å²	61.8	67%	0.673	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-32.5	-178.2	-176.2	0	0	0	0	112.2	K301	K301-V303 PolarHBondContact O-N 3.36Å
304	L	92.4	Very high	95	Very high	156 Å²	156	62.7 Å²	62.7	82%	0.817	29%	0.294	S	S	*	.	H	α-helix	trans	-72	-39.5	-178.8	-62.3	175.7	0	0	0	111.4	D302	D302-L304 PolarHBondContact O-N 2.87Å; D302-L304 WeakPolarHBondContact OD1-CB 3.35Å; D302-L304 PolarHBondContact OD1-N 3.26Å
305	Q	91.1	Very high	95	Very high	73 Å²	73	66.2 Å²	66.2	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-88.1	-13.6	178.7	-62	-61.8	-41.1	0	0	113.3	D302 R307 K308 I309	D302-Q305 HydrophobicContact CB-CB 4.3Å; D302-Q305 PolarHBondContact O-N 3.45Å; D302-Q305 PolarHBondContact OD1-N 2.84Å; D302-Q305 VanDerWaalsContact OD1-N 3.16Å; D302-Q305 WeakPolarHBondContact OD2-CG 3.28Å; Q305-R307 PolarHBondContact O-N 2.68Å; Q305-K308 PolarHBondContact O-N 3.31Å; Q305-K308 VanDerWaalsContact O-N 3.11Å; Q305-I309 HydrophobicContact CB-CD1 3.62Å; Q305-I309 HydrophobicContact CB-CG1 4.1Å; Q305-I309 WeakPolarHBondContact O-CG1 3.23Å; Q305-I309 PolarHBondContact O-N 3.05Å
306	Q	93.8	Very high	94.9	Very high	79 Å²	79	66.3 Å²	66.3	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-48.9	-57.8	-173.2	-176.6	174	31.6	0	0	112.5	I300 D302 K308 I309 D310	I300-Q306 HydrophobicContact CB-CB 4.4Å; I300-Q306 HydrophobicContact CB-CG 4.14Å; I300-Q306 HydrophobicContact CD1-CG 4.35Å; I300-Q306 HydrophobicContact CG2-CB 4.13Å; I300-Q306 HydrophobicContact CG2-CG 4.42Å; D302-Q306 WeakPolarHBondContact O-CB 3.25Å; D302-Q306 PolarHBondContact O-N 2.95Å; Q306-K308 VanDerWaalsContact C-N 3.32Å; Q306-K308 PolarHBondContact O-N 3.45Å; Q306-I309 PolarHBondContact O-N 3.35Å; Q306-D310 WeakPolarHBondContact O-CB 3.38Å; Q306-D310 PolarHBondContact O-N 2.87Å
307	R	95.2	Very high	95	Very high	219 Å²	219	66.1 Å²	66.1	83%	0.826	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-41.9	-178.3	-66.9	-174.3	-168.9	173	3.6	112.7	Q305 Q311	Q305-R307 PolarHBondContact O-N 2.68Å; R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 PolarHBondContact O-N 2.84Å
308	K	95.8	Very high	95.1	Very high	136 Å²	136	67.2 Å²	67.2	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-68.1	-48.4	-177.5	-178.6	-176.1	176.2	-175.1	0	111.6	Q305 Q306 R312	Q305-K308 PolarHBondContact O-N 3.31Å; Q305-K308 VanDerWaalsContact O-N 3.11Å; Q306-K308 VanDerWaalsContact C-N 3.32Å; Q306-K308 PolarHBondContact O-N 3.45Å; K308-R312 WeakPolarHBondContact O-CB 3.3Å; K308-R312 PolarHBondContact O-N 2.8Å
309	I	95.7	Very high	95.2	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-46.4	179.9	-68	176.1	0	0	0	109.8	F272 S275 F276 I300 Q305 Q306 R312 I313	F272-I309 HydrophobicContact CB-CD1 4.29Å; F272-I309 HydrophobicContact CB-CG1 4.49Å; F272-I309 HydrophobicContact CB-CG2 4.14Å; F272-I309 HydrophobicContact CD1-CD1 4.08Å; F272-I309 HydrophobicContact CD1-CG1 3.77Å; F272-I309 HydrophobicContact CD2-CG2 4.37Å; F272-I309 HydrophobicContact CE1-CG1 4.22Å; F272-I309 HydrophobicContact CG-CD1 4.38Å; F272-I309 HydrophobicContact CG-CG1 4.12Å; F272-I309 HydrophobicContact CG-CG2 4.14Å; S275-I309 VanDerWaalsContact CB-CD1 3.46Å; S275-I309 WeakPolarHBondContact OG-CD1 3.26Å; F276-I309 HydrophobicContact CE2-CG2 3.92Å; F276-I309 HydrophobicContact CZ-CG2 3.97Å; I300-I309 HydrophobicContact CD1-CB 4.01Å; I300-I309 HydrophobicContact CD1-CG2 3.71Å; I300-I309 HydrophobicContact CG1-CG2 4.41Å; I300-I309 HydrophobicContact CG2-CD1 4.48Å; Q305-I309 HydrophobicContact CB-CD1 3.62Å; Q305-I309 HydrophobicContact CB-CG1 4.1Å; Q305-I309 WeakPolarHBondContact O-CG1 3.23Å; Q305-I309 PolarHBondContact O-N 3.05Å; Q306-I309 PolarHBondContact O-N 3.35Å; I309-R312 WeakPolarHBondContact O-CB 3.34Å; I309-R312 PolarHBondContact O-N 3.46Å; I309-I313 HydrophobicContact CG2-CD1 3.59Å; I309-I313 HydrophobicContact CG2-CG1 4.49Å; I309-I313 WeakPolarHBondContact O-CG1 3.32Å; I309-I313 PolarHBondContact O-N 2.87Å
310	D	95.8	Very high	95.3	Very high	38 Å²	38	70 Å²	70	20%	0.203	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-48.4	179.4	-175.1	73.6	0	0	0	112.1	I300 Q306 R312 I313 C314 K329	I300-D310 HydrophobicContact CD1-CB 4.1Å; Q306-D310 WeakPolarHBondContact O-CB 3.38Å; Q306-D310 PolarHBondContact O-N 2.87Å; D310-R312 VanDerWaalsContact C-N 3.33Å; D310-R312 PolarHBondContact O-N 2.87Å; D310-I313 PolarHBondContact O-N 2.65Å; D310-C314 WeakPolarHBondContact O-CB 3.49Å; D310-C314 PolarHBondContact O-N 2.96Å; D310-C314 PolarHBondContact O-SG 3.31Å; D310-K329 IonicContact OD1-NZ 3.63Å; D310-K329 PolarHBondContact OD1-NZ 3.19Å; D310-K329 IonicContact OD2-NZ 3.87Å; D310-K329 PolarHBondContact OD2-NZ 3.04Å
311	Q	96.3	Very high	95.5	Very high	124 Å²	124	69.7 Å²	69.7	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-60.6	-41.6	174.8	-172.4	-176.6	17.8	0	0	111.9	R307 N315	R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 PolarHBondContact O-N 2.84Å; Q311-N315 VanDerWaalsContact O-CB 3.25Å; Q311-N315 WeakPolarHBondContact O-CB 3.25Å; Q311-N315 PolarHBondContact O-N 3.25Å; Q311-N315 PolarHBondContact O-ND2 3.17Å
312	R	97	Very high	95.6	Very high	88 Å²	88	67.8 Å²	67.8	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-43.4	178.9	178.6	58.5	171.9	165.3	2.7	111.9	L264 D268 F272 K308 I309 D310 A316	L264-R312 HydrophobicContact CD2-CG 4.26Å; D268-R312 IonicContact OD2-CZ 2.6Å; D268-R312 IonicContact OD2-NE 3.63Å; D268-R312 PolarHBondContact OD2-NE 3.07Å; D268-R312 IonicContact OD2-NH2 2.64Å; D268-R312 PolarHBondContact OD2-NH2 3.41Å; F272-R312 HydrophobicContact CE2-CB 4.34Å; F272-R312 HydrophobicContact CE2-CG 3.66Å; F272-R312 HydrophobicContact CZ-CB 4.49Å; F272-R312 HydrophobicContact CZ-CG 3.9Å; K308-R312 WeakPolarHBondContact O-CB 3.3Å; K308-R312 PolarHBondContact O-N 2.8Å; I309-R312 WeakPolarHBondContact O-CB 3.34Å; I309-R312 PolarHBondContact O-N 3.46Å; D310-R312 VanDerWaalsContact C-N 3.33Å; D310-R312 PolarHBondContact O-N 2.87Å; R312-A316 PolarHBondContact O-N 2.92Å; R312-A316 VanDerWaalsContact O-N 3.16Å
313	I	96.7	Very high	95.9	Very high	3 Å²	3	71.7 Å²	71.7	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-49.7	178.4	-71.1	162.5	0	0	0	110.5	F276 P282 M297 I309 D310 N315 A316 I317	F276-I313 HydrophobicContact CE2-CD1 4.1Å; F276-I313 HydrophobicContact CZ-CD1 3.52Å; P282-I313 HydrophobicContact CB-CG2 4.35Å; P282-I313 HydrophobicContact CG-CD1 3.64Å; P282-I313 HydrophobicContact CG-CG1 4.12Å; P282-I313 HydrophobicContact CG-CG2 3.68Å; M297-I313 HydrophobicContact SD-CD1 4.48Å; M297-I313 HydrophobicContact SD-CG2 4.34Å; I309-I313 HydrophobicContact CG2-CD1 3.59Å; I309-I313 HydrophobicContact CG2-CG1 4.49Å; I309-I313 WeakPolarHBondContact O-CG1 3.32Å; I309-I313 PolarHBondContact O-N 2.87Å; D310-I313 PolarHBondContact O-N 2.65Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.81Å; I313-A316 WeakPolarHBondContact O-CB 3.43Å; I313-A316 PolarHBondContact O-N 3.13Å; I313-I317 HydrophobicContact CG2-CD1 3.84Å; I313-I317 HydrophobicContact CG2-CG1 4.42Å; I313-I317 WeakPolarHBondContact O-CG1 3.42Å; I313-I317 PolarHBondContact O-N 2.82Å
314	C	97.6	Very high	96.2	Very high	19 Å²	19	74.4 Å²	74.4	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-46.3	177.7	-75.6	0	0	0	0	111.9	D310 A316 I317 T318 V327 K329	D310-C314 WeakPolarHBondContact O-CB 3.49Å; D310-C314 PolarHBondContact O-N 2.96Å; D310-C314 PolarHBondContact O-SG 3.31Å; C314-A316 PolarHBondContact O-N 3.13Å; C314-I317 PolarHBondContact O-N 3.48Å; C314-I317 VanDerWaalsContact O-N 3.14Å; C314-T318 WeakPolarHBondContact O-CB 3.31Å; C314-T318 PolarHBondContact O-N 2.84Å; C314-T318 PolarHBondContact O-OG1 2.96Å; C314-V327 HydrophobicContact CB-CG2 4.48Å; C314-K329 WeakPolarHBondContact SG-CE 3.08Å; C314-K329 PolarHBondContact SG-NZ 3.05Å
315	N	98	Very high	96.4	Very high	75 Å²	75	67.9 Å²	67.9	40%	0.401	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-34.8	176.2	-74.4	-16.9	0	0	0	112.6	Q311 I313 K319	Q311-N315 VanDerWaalsContact O-CB 3.25Å; Q311-N315 WeakPolarHBondContact O-CB 3.25Å; Q311-N315 PolarHBondContact O-N 3.25Å; Q311-N315 PolarHBondContact O-ND2 3.17Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.81Å; N315-K319 WeakPolarHBondContact O-CB 3.33Å; N315-K319 VanDerWaalsContact O-CG 3.23Å; N315-K319 WeakPolarHBondContact O-CG 3.36Å; N315-K319 PolarHBondContact O-N 3.02Å
316	A	98.2	Very high	96.5	Very high	2 Å²	2	70 Å²	70	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-73.8	-37.9	177.3	0	0	0	0	0	112.7	P261 S263 L264 R312 I313 C314 K319 S320	P261-A316 HydrophobicContact CB-CB 4.01Å; P261-A316 HydrophobicContact CG-CB 4.22Å; S263-A316 WeakPolarHBondContact OG-CA 3.41Å; S263-A316 WeakPolarHBondContact OG-CB 3.12Å; S263-A316 PolarHBondContact OG-O 3.4Å; L264-A316 HydrophobicContact CD1-CB 4.14Å; L264-A316 HydrophobicContact CD2-CB 3.41Å; L264-A316 VanDerWaalsContact CD2-CB 3.41Å; L264-A316 HydrophobicContact CG-CB 3.45Å; L264-A316 VanDerWaalsContact CG-CB 3.45Å; R312-A316 PolarHBondContact O-N 2.92Å; R312-A316 VanDerWaalsContact O-N 3.16Å; I313-A316 WeakPolarHBondContact O-CB 3.43Å; I313-A316 PolarHBondContact O-N 3.13Å; C314-A316 PolarHBondContact O-N 3.13Å; A316-K319 PolarHBondContact O-N 3.38Å; A316-S320 PolarHBondContact O-N 3.24Å
317	I	98.2	Very high	96.7	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-48.2	172.6	-63.3	170.1	0	0	0	109.8	W239 P261 V295 I313 C314 K319 S320 H321 V327 V400	W239-I317 HydrophobicContact CH2-CG1 4.13Å; W239-I317 HydrophobicContact CZ2-CG2 4.4Å; P261-I317 HydrophobicContact CG-CG1 4.05Å; V295-I317 HydrophobicContact CG1-CD1 4.37Å; V295-I317 HydrophobicContact CG2-CD1 4.18Å; I313-I317 HydrophobicContact CG2-CD1 3.84Å; I313-I317 HydrophobicContact CG2-CG1 4.42Å; I313-I317 WeakPolarHBondContact O-CG1 3.42Å; I313-I317 PolarHBondContact O-N 2.82Å; C314-I317 PolarHBondContact O-N 3.48Å; C314-I317 VanDerWaalsContact O-N 3.14Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 2.88Å; I317-S320 WeakPolarHBondContact O-CA 3.49Å; I317-S320 WeakPolarHBondContact O-CB 3.36Å; I317-S320 PolarHBondContact O-N 3.06Å; I317-S320 PolarHBondContact O-OG 2.92Å; I317-H321 PolarHBondContact O-N 3.06Å; I317-V327 HydrophobicContact CB-CG2 3.92Å; I317-V327 HydrophobicContact CG2-CG2 3.7Å; I317-V400 HydrophobicContact CD1-CG2 3.61Å
318	T	98.2	Very high	96.9	Very high	26 Å²	26	60.7 Å²	60.7	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-53.8	-45.9	173	-64.4	0	0	0	0	111.2	C314 S320 H321 R324 S325	C314-T318 WeakPolarHBondContact O-CB 3.31Å; C314-T318 PolarHBondContact O-N 2.84Å; C314-T318 PolarHBondContact O-OG1 2.96Å; T318-S320 PolarHBondContact O-N 2.97Å; T318-H321 WeakPolarHBondContact O-CB 3.47Å; T318-H321 PolarHBondContact O-N 3.06Å; T318-H321 VanDerWaalsContact O-N 3.11Å; T318-R324 HydrophobicContact CG2-CB 4Å; T318-R324 WeakPolarHBondContact CG2-O 3.27Å; T318-R324 WeakPolarHBondContact O-CA 3.37Å; T318-S325 WeakPolarHBondContact CG2-O 3.26Å; T318-S325 PolarHBondContact OG1-O 3.2Å
319	K	97.9	Very high	96.9	Very high	107 Å²	107	57.1 Å²	57.1	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-24.1	176.3	-76.9	174.6	-176	-176.3	0	114.4	N315 A316 I317 H321	N315-K319 WeakPolarHBondContact O-CB 3.33Å; N315-K319 VanDerWaalsContact O-CG 3.23Å; N315-K319 WeakPolarHBondContact O-CG 3.36Å; N315-K319 PolarHBondContact O-N 3.02Å; A316-K319 PolarHBondContact O-N 3.38Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 2.88Å; K319-H321 VanDerWaalsContact C-N 3.3Å
320	S	97.9	Very high	97.1	Very high	11 Å²	11	57.1 Å²	57.1	8%	0.077	28%	0.276	C	S	.	.	H	α-helix	trans	-75.7	-20.6	175.8	78.2	0	0	0	0	112.7	G238 W239 A316 I317 T318	G238-S320 WeakPolarHBondContact O-CB 3.47Å; W239-S320 VanDerWaalsContact CZ2-OG 3.29Å; W239-S320 WeakPolarHBondContact CZ2-OG 3.31Å; W239-S320 PolarHBondContact NE1-OG 3.13Å; A316-S320 PolarHBondContact O-N 3.24Å; I317-S320 WeakPolarHBondContact O-CA 3.49Å; I317-S320 WeakPolarHBondContact O-CB 3.36Å; I317-S320 PolarHBondContact O-N 3.06Å; I317-S320 PolarHBondContact O-OG 2.92Å; T318-S320 PolarHBondContact O-N 2.97Å
321	H	97.7	Very high	97.1	Very high	3 Å²	3	57 Å²	57	1%	0.014	28%	0.276	C	S	.	.	S	Bend	trans	-78.6	131.2	176.1	-164.3	-81	0	0	0	110.6	G291 S292 I317 T318 K319 Q323 R324 S325	G291-H321 PolarHBondContact O-CD2 2.74Å; S292-H321 PolarHBondContact N-CD2 2.87Å; S292-H321 PolarHBondContact N-NE2 2.83Å; S292-H321 PolarHBondContact OG-NE2 2.97Å; I317-H321 PolarHBondContact O-N 3.06Å; T318-H321 WeakPolarHBondContact O-CB 3.47Å; T318-H321 PolarHBondContact O-N 3.06Å; T318-H321 VanDerWaalsContact O-N 3.11Å; K319-H321 VanDerWaalsContact C-N 3.3Å; H321-Q323 PolarHBondContact ND1-N 3.22Å; H321-Q323 VanDerWaalsContact ND1-N 3.14Å; H321-Q323 PolarHBondContact O-N 3.35Å; H321-R324 PolarHBondContact O-N 3.48Å; H321-S325 WeakPolarHBondContact ND1-CB 3.44Å
322	P	95.5	Very high	97.2	Very high	94 Å²	94	51.1 Å²	51.1	61%	0.61	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.9	-179.4	-26.3	34.7	0	0	0	113.7
323	Q	95.6	Very high	97.2	Very high	138 Å²	138	50.2 Å²	50.2	65%	0.645	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	6.2	177.5	-62.2	172.9	-25.8	0	0	114	H321 S325	H321-Q323 PolarHBondContact ND1-N 3.22Å; H321-Q323 VanDerWaalsContact ND1-N 3.14Å; H321-Q323 PolarHBondContact O-N 3.35Å; Q323-S325 VanDerWaalsContact C-N 3.25Å; Q323-S325 PolarHBondContact O-N 3.22Å
324	R	96.2	Very high	97.2	Very high	167 Å²	167	58.3 Å²	58.3	63%	0.63	29%	0.285	S	S	*	.			trans	50.3	45.7	-172.7	-61.1	-174.7	176.2	-142.7	3	113.6	T318 H321	T318-R324 HydrophobicContact CG2-CB 4Å; T318-R324 WeakPolarHBondContact CG2-O 3.27Å; T318-R324 WeakPolarHBondContact O-CA 3.37Å; H321-R324 PolarHBondContact O-N 3.48Å
325	S	95	Very high	97.2	Very high	20 Å²	20	60.8 Å²	60.8	14%	0.14	30%	0.3	C	S	.	.			trans	-67.6	154.6	179.8	-166.2	0	0	0	0	111.7	T318 H321 Q323 H396 L397	T318-S325 WeakPolarHBondContact CG2-O 3.26Å; T318-S325 PolarHBondContact OG1-O 3.2Å; H321-S325 WeakPolarHBondContact ND1-CB 3.44Å; Q323-S325 VanDerWaalsContact C-N 3.25Å; Q323-S325 PolarHBondContact O-N 3.22Å; S325-H396 WeakPolarHBondContact CB-O 3.36Å; S325-H396 PolarHBondContact OG-O 2.86Å; S325-L397 VanDerWaalsContact OG-CD2 3.3Å; S325-L397 WeakPolarHBondContact OG-CD2 3.47Å
326	D	94.7	Very high	97.2	Very high	117 Å²	117	57.8 Å²	57.8	63%	0.626	28%	0.284	S	S	*	.			trans	-67	165.5	178.6	-71.8	-37.4	0	0	0	112.3	L397 S398	D326-L397 HydrophobicContact CB-CD2 4.08Å; D326-S398 PolarHBondContact O-N 3.09Å
327	V	97.9	Very high	97.2	Very high	30 Å²	30	58.4 Å²	58.4	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.2	-179.9	-177.2	0	0	0	0	109.5	C314 I317 S398 V400	C314-V327 HydrophobicContact CB-CG2 4.48Å; I317-V327 HydrophobicContact CB-CG2 3.92Å; I317-V327 HydrophobicContact CG2-CG2 3.7Å; V327-S398 CarbonylContact C-O 3.54Å; V327-S398 WeakPolarHBondContact CA-O 3.15Å; V327-V400 HydrophobicContact CG1-CB 4.33Å; V327-V400 HydrophobicContact CG1-CG2 3.46Å; V327-V400 VanDerWaalsContact CG1-CG2 3.46Å
328	Y	98.1	Very high	97.1	Very high	72 Å²	72	61.6 Å²	61.6	28%	0.282	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131	169.6	-176.5	-97.9	0	0	0	110.2	L388 M391 S398 V399 V400	Y328-L388 HydrophobicContact CD1-CD2 4.09Å; Y328-L388 HydrophobicContact CE1-CD2 3.76Å; Y328-M391 HydrophobicContact CD1-CG 4.17Å; Y328-M391 HydrophobicContact CD2-CE 3.82Å; Y328-M391 HydrophobicContact CE1-CG 4.38Å; Y328-M391 HydrophobicContact CE2-CE 4.27Å; Y328-M391 HydrophobicContact CG-CE 4.08Å; Y328-M391 HydrophobicContact CG-CG 4.35Å; Y328-S398 PolarHBondContact N-O 3.3Å; Y328-V399 HydrophobicContact CD1-CG2 4.38Å; Y328-V399 CarbonylContact O-C 3.52Å; Y328-V399 WeakPolarHBondContact O-CA 3.33Å; Y328-V400 PolarHBondContact O-N 3.21Å
329	K	97.6	Very high	97.1	Very high	61 Å²	61	61.7 Å²	61.7	27%	0.265	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	177.2	-68	-179.5	-177.8	166.3	0	110	D310 C314 V400	D310-K329 IonicContact OD1-NZ 3.63Å; D310-K329 PolarHBondContact OD1-NZ 3.19Å; D310-K329 IonicContact OD2-NZ 3.87Å; D310-K329 PolarHBondContact OD2-NZ 3.04Å; C314-K329 WeakPolarHBondContact SG-CE 3.08Å; C314-K329 PolarHBondContact SG-NZ 3.05Å; K329-V400 WeakPolarHBondContact CA-O 3.5Å; K329-V400 HydrophobicContact CG-CB 4.17Å
330	S	98	Very high	97.1	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.9	172.1	-167.3	0	0	0	0	110	L332 H384 V400 Q402	S330-L332 PolarHBondContact O-N 3.21Å; S330-H384 PolarHBondContact OG-CE1 2.84Å; S330-H384 PolarHBondContact OG-NE2 3.26Å; S330-V400 PolarHBondContact N-O 3.18Å; S330-Q402 PolarHBondContact O-N 3.26Å
331	D	97.4	Very high	97.1	Very high	35 Å²	35	66 Å²	66	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	101.7	173.2	-173.7	-24.9	0	0	0	108.7	D333 K334 T335	D331-D333 VanDerWaalsContact C-N 3.34Å; D331-D333 PolarHBondContact OD1-N 3.04Å; D331-K334 HydrophobicContact CB-CB 4.44Å; D331-K334 HydrophobicContact CB-CD 4.36Å; D331-K334 HydrophobicContact CB-CG 4.5Å; D331-K334 PolarHBondContact O-N 3.33Å; D331-K334 PolarHBondContact OD1-N 3.33Å; D331-K334 WeakPolarHBondContact OD2-CD 3.49Å; D331-K334 VanDerWaalsContact OD2-CE 3.27Å; D331-K334 WeakPolarHBondContact OD2-CE 3.29Å; D331-K334 IonicContact OD2-NZ 3.36Å; D331-K334 PolarHBondContact OD2-NZ 3.45Å; D331-T335 WeakPolarHBondContact O-CB 3.4Å; D331-T335 PolarHBondContact O-N 2.82Å; D331-T335 PolarHBondContact O-OG1 3.31Å
332	L	98.4	Very high	97.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71.6	-31.1	-174.1	-60.8	-173.9	0	0	0	112.2	S330 K334 T335 L336 H384 L401 Q402 L409 S410 V413	S330-L332 PolarHBondContact O-N 3.21Å; L332-K334 PolarHBondContact O-N 3.37Å; L332-T335 PolarHBondContact O-N 3.34Å; L332-L336 HydrophobicContact CD2-CD1 4.14Å; L332-L336 PolarHBondContact O-N 3.2Å; L332-H384 WeakPolarHBondContact CD2-NE2 3.46Å; L332-L401 HydrophobicContact CD1-CB 4.11Å; L332-L401 HydrophobicContact CD2-CD2 4.35Å; L332-Q402 WeakPolarHBondContact CB-O 3.42Å; L332-Q402 WeakPolarHBondContact CG-O 3.48Å; L332-Q402 PolarHBondContact N-O 3.46Å; L332-L409 HydrophobicContact CB-CB 4.18Å; L332-L409 HydrophobicContact CB-CD1 4.25Å; L332-L409 HydrophobicContact CD1-CB 4.02Å; L332-S410 VanDerWaalsContact CD1-CA 3.42Å; L332-V413 HydrophobicContact CD1-CB 4.38Å; L332-V413 HydrophobicContact CD1-CG2 4.2Å; L332-V413 HydrophobicContact CD2-CG2 4.16Å
333	D	96.9	Very high	97.2	Very high	70 Å²	70	63.2 Å²	63.2	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-27	179.7	-60.8	-51.8	0	0	0	111.7	D331 E403 E404	D331-D333 VanDerWaalsContact C-N 3.34Å; D331-D333 PolarHBondContact OD1-N 3.04Å; D333-E403 VanDerWaalsContact OD2-CA 3.3Å; D333-E403 WeakPolarHBondContact OD2-CA 3.36Å; D333-E404 PolarHBondContact OD2-N 2.92Å
334	K	96.5	Very high	97.3	Very high	173 Å²	173	59 Å²	59	75%	0.752	29%	0.292	S	S	*	.	H	α-helix	trans	-87	-25.1	174	-68	-177.1	-176.3	128.5	0	114.1	D331 L332	D331-K334 HydrophobicContact CB-CB 4.44Å; D331-K334 HydrophobicContact CB-CD 4.36Å; D331-K334 HydrophobicContact CB-CG 4.5Å; D331-K334 PolarHBondContact O-N 3.33Å; D331-K334 PolarHBondContact OD1-N 3.33Å; D331-K334 WeakPolarHBondContact OD2-CD 3.49Å; D331-K334 VanDerWaalsContact OD2-CE 3.27Å; D331-K334 WeakPolarHBondContact OD2-CE 3.29Å; D331-K334 IonicContact OD2-NZ 3.36Å; D331-K334 PolarHBondContact OD2-NZ 3.45Å; L332-K334 PolarHBondContact O-N 3.37Å
335	T	97	Very high	97.4	Very high	71 Å²	71	51.3 Å²	51.3	44%	0.436	26%	0.264	S	S	.	.	H	α-helix	trans	-100.8	-28.2	-166.9	-50.3	0	0	0	0	112.9	D331 L332	D331-T335 WeakPolarHBondContact O-CB 3.4Å; D331-T335 PolarHBondContact O-N 2.82Å; D331-T335 PolarHBondContact O-OG1 3.31Å; L332-T335 PolarHBondContact O-N 3.34Å
336	L	98.5	Very high	97.6	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.063	26%	0.26	C	S	.	.	S	Bend	trans	-124.9	153.3	-172.2	-67.6	174.6	0	0	0	111.3	L332 A380 F381 H384 L409 V413	L332-L336 HydrophobicContact CD2-CD1 4.14Å; L332-L336 PolarHBondContact O-N 3.2Å; L336-A380 HydrophobicContact CD2-CB 4.25Å; L336-F381 HydrophobicContact CB-CE2 4.46Å; L336-F381 HydrophobicContact CB-CZ 4.31Å; L336-F381 HydrophobicContact CD1-CD1 3.83Å; L336-F381 HydrophobicContact CD1-CE1 3.76Å; L336-F381 HydrophobicContact CD1-CG 4.34Å; L336-F381 HydrophobicContact CD1-CZ 4.21Å; L336-F381 HydrophobicContact CD2-CD2 4.16Å; L336-F381 HydrophobicContact CD2-CE2 4.46Å; L336-F381 HydrophobicContact CD2-CG 4.22Å; L336-H384 HydrophobicContact CD2-CB 4.05Å; L336-L409 HydrophobicContact CB-CD1 4.38Å; L336-V413 HydrophobicContact CD1-CG2 3.47Å; L336-V413 VanDerWaalsContact CD1-CG2 3.47Å
337	P	98	Very high	97.6	Very high	15 Å²	15	47.6 Å²	47.6	10%	0.097	24%	0.244	C	C	.	.			trans	-63.9	140.6	175.1	29.9	-37.3	0	0	0	110.4	E341 V342 Y377 F381	P337-E341 VanDerWaalsContact CA-OE2 3.24Å; P337-E341 WeakPolarHBondContact CA-OE2 3.32Å; P337-E341 HydrophobicContact CB-CB 4.03Å; P337-V342 HydrophobicContact CB-CG2 4.38Å; P337-V342 HydrophobicContact CG-CG2 4.12Å; P337-Y377 HydrophobicContact CB-CD1 4.01Å; P337-Y377 HydrophobicContact CB-CD2 4.23Å; P337-Y377 HydrophobicContact CB-CE1 3.79Å; P337-Y377 HydrophobicContact CB-CE2 4Å; P337-Y377 HydrophobicContact CB-CG 4.23Å; P337-Y377 HydrophobicContact CG-CD1 3.6Å; P337-Y377 HydrophobicContact CG-CD2 4.02Å; P337-Y377 HydrophobicContact CG-CE1 3.93Å; P337-Y377 HydrophobicContact CG-CE2 4.3Å; P337-Y377 HydrophobicContact CG-CG 3.65Å; P337-F381 HydrophobicContact CG-CE2 3.87Å
338	N	97.1	Very high	97.4	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	26%	0.257	S	S	.	.			trans	-74.2	170.4	-179.9	70.2	58.9	0	0	0	111.8	Q340 E341 V342	N338-Q340 PolarHBondContact O-N 3.13Å; N338-Q340 VanDerWaalsContact O-N 3.16Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.48Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.46Å; N338-Q340 PolarHBondContact OD1-N 3.37Å; N338-E341 PolarHBondContact N-OE2 3.18Å; N338-E341 PolarHBondContact ND2-OE2 3.11Å; N338-E341 VanDerWaalsContact ND2-OE2 3.08Å; N338-E341 PolarHBondContact O-N 2.75Å; N338-E341 VanDerWaalsContact O-N 3.17Å; N338-E341 PolarHBondContact OD1-N 3.39Å; N338-E341 VanDerWaalsContact OD1-N 3.08Å; N338-V342 WeakPolarHBondContact O-CG2 3.42Å; N338-V342 PolarHBondContact O-N 3.37Å
339	I	97.2	Very high	97.3	Very high	28 Å²	28	47.8 Å²	47.8	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-28.8	-174.6	62	170.6	0	0	0	114.2	Q343 D408 L409 S460 L462	I339-Q343 WeakPolarHBondContact O-CB 3.33Å; I339-Q343 PolarHBondContact O-N 2.96Å; I339-D408 HydrophobicContact CG2-CB 3.69Å; I339-L409 HydrophobicContact CG2-CD2 4.38Å; I339-S460 PolarHBondContact O-OG 3.07Å; I339-L462 HydrophobicContact CG2-CD2 4.45Å
340	Q	97	Very high	97	Very high	130 Å²	130	45.5 Å²	45.5	61%	0.607	23%	0.234	S	C	*	.	H	α-helix	trans	-77.6	-38.9	179.3	-62.7	179.4	-11.9	0	0	111	N338 Q343 A344	N338-Q340 PolarHBondContact O-N 3.13Å; N338-Q340 VanDerWaalsContact O-N 3.16Å; N338-Q340 WeakPolarHBondContact OD1-CA 3.48Å; N338-Q340 WeakPolarHBondContact OD1-CB 3.46Å; N338-Q340 PolarHBondContact OD1-N 3.37Å; Q340-Q343 PolarHBondContact O-N 3.43Å; Q340-A344 WeakPolarHBondContact O-CB 3.09Å; Q340-A344 PolarHBondContact O-N 2.92Å
341	E	98.2	Very high	96.5	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-44.7	172.7	-67.6	175.9	117.3	0	0	110.9	P337 N338 Q343 A344 A345 Y377	P337-E341 VanDerWaalsContact CA-OE2 3.24Å; P337-E341 WeakPolarHBondContact CA-OE2 3.32Å; P337-E341 HydrophobicContact CB-CB 4.03Å; N338-E341 PolarHBondContact N-OE2 3.18Å; N338-E341 PolarHBondContact ND2-OE2 3.11Å; N338-E341 VanDerWaalsContact ND2-OE2 3.08Å; N338-E341 PolarHBondContact O-N 2.75Å; N338-E341 VanDerWaalsContact O-N 3.17Å; N338-E341 PolarHBondContact OD1-N 3.39Å; N338-E341 VanDerWaalsContact OD1-N 3.08Å; E341-Q343 VanDerWaalsContact C-N 3.33Å; E341-Q343 PolarHBondContact O-N 3.4Å; E341-A344 PolarHBondContact O-N 2.89Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.34Å; E341-Y377 HydrophobicContact CB-CE2 4.14Å
342	V	98.5	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.5	177.7	0	0	0	0	111.3	P337 N338 A345 F346 W374 Y377 F381 P461 L465	P337-V342 HydrophobicContact CB-CG2 4.38Å; P337-V342 HydrophobicContact CG-CG2 4.12Å; N338-V342 WeakPolarHBondContact O-CG2 3.42Å; N338-V342 PolarHBondContact O-N 3.37Å; V342-A345 PolarHBondContact O-N 3.44Å; V342-F346 PolarHBondContact O-N 3.24Å; V342-W374 HydrophobicContact CG1-CZ3 3.95Å; V342-Y377 HydrophobicContact CG2-CD2 4.23Å; V342-F381 HydrophobicContact CG2-CE2 4.47Å; V342-P461 HydrophobicContact CG1-CG 4.15Å; V342-L465 HydrophobicContact CG1-CD1 3.86Å; V342-L465 HydrophobicContact CG2-CD1 4.28Å
343	Q	98	Very high	95.4	Very high	38 Å²	38	49.9 Å²	49.9	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-46.7	174.9	174.3	61.3	10.2	0	0	111.9	I339 Q340 E341 A345 F346 V347 E459 P461	I339-Q343 WeakPolarHBondContact O-CB 3.33Å; I339-Q343 PolarHBondContact O-N 2.96Å; Q340-Q343 PolarHBondContact O-N 3.43Å; E341-Q343 VanDerWaalsContact C-N 3.33Å; E341-Q343 PolarHBondContact O-N 3.4Å; Q343-A345 VanDerWaalsContact C-N 3.31Å; Q343-A345 PolarHBondContact O-N 2.89Å; Q343-F346 PolarHBondContact O-N 3.43Å; Q343-V347 WeakPolarHBondContact O-CG2 3.3Å; Q343-V347 PolarHBondContact O-N 3.22Å; Q343-E459 WeakPolarHBondContact CB-O 3.23Å; Q343-E459 WeakPolarHBondContact CG-O 3.45Å; Q343-P461 VanDerWaalsContact OE1-CD 3.31Å
344	A	97.9	Very high	94.6	Very high	51 Å²	51	47 Å²	47	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-40.7	178.4	0	0	0	0	0	111.8	Q340 E341 V347 K348	Q340-A344 WeakPolarHBondContact O-CB 3.09Å; Q340-A344 PolarHBondContact O-N 2.92Å; E341-A344 PolarHBondContact O-N 2.89Å; A344-V347 PolarHBondContact O-N 3.34Å; A344-K348 WeakPolarHBondContact O-CG 3.25Å; A344-K348 PolarHBondContact O-N 3.33Å; A344-K348 VanDerWaalsContact O-N 3.15Å
345	A	98.4	Very high	93.2	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-45.4	175.5	0	0	0	0	0	112.1	E341 V342 Q343 K348 L349 T372 W374 Y377	E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.34Å; V342-A345 PolarHBondContact O-N 3.44Å; Q343-A345 VanDerWaalsContact C-N 3.31Å; Q343-A345 PolarHBondContact O-N 2.89Å; A345-K348 PolarHBondContact O-N 3.14Å; A345-L349 PolarHBondContact O-N 3.42Å; A345-T372 WeakPolarHBondContact CA-O 3.46Å; A345-T372 WeakPolarHBondContact CB-O 3.27Å; A345-W374 HydrophobicContact CB-CE3 4.36Å; A345-Y377 HydrophobicContact CB-CD2 3.77Å; A345-Y377 HydrophobicContact CB-CE2 3.68Å
346	F	97.6	Very high	91.2	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-39.5	178	179.8	-109.9	0	0	0	113.3	F141 V342 Q343 K348 L349 K350 W374 P461 L464	F141-F346 AromaticContact CE2-CE2 3.99Å; F141-F346 HydrophobicContact CE2-CE2 3.99Å; F141-F346 AromaticContact CE2-CZ 3.94Å; F141-F346 HydrophobicContact CE2-CZ 3.94Å; F141-F346 AromaticContact CZ-CE2 3.62Å; F141-F346 HydrophobicContact CZ-CE2 3.62Å; F141-F346 AromaticContact CZ-CZ 3.86Å; F141-F346 HydrophobicContact CZ-CZ 3.86Å; V342-F346 PolarHBondContact O-N 3.24Å; Q343-F346 PolarHBondContact O-N 3.43Å; F346-K348 VanDerWaalsContact C-N 3.29Å; F346-K348 PolarHBondContact O-N 3.27Å; F346-L349 PolarHBondContact O-N 3.43Å; F346-K350 HydrophobicContact CE1-CD 4.4Å; F346-K350 VanDerWaalsContact O-CB 3.29Å; F346-K350 WeakPolarHBondContact O-CB 3.4Å; F346-K350 PolarHBondContact O-N 3.15Å; F346-W374 HydrophobicContact CB-CE3 3.97Å; F346-W374 HydrophobicContact CB-CH2 4.47Å; F346-W374 HydrophobicContact CB-CZ3 3.7Å; F346-W374 HydrophobicContact CD2-CE3 4.44Å; F346-W374 HydrophobicContact CD2-CH2 4.13Å; F346-W374 HydrophobicContact CD2-CZ3 4.11Å; F346-W374 HydrophobicContact CG-CZ3 4.31Å; F346-P461 HydrophobicContact CB-CB 4.29Å; F346-P461 HydrophobicContact CB-CG 3.34Å; F346-P461 HydrophobicContact CD1-CB 3.96Å; F346-P461 HydrophobicContact CD1-CG 3.78Å; F346-P461 HydrophobicContact CD2-CB 4.27Å; F346-P461 HydrophobicContact CD2-CG 4.18Å; F346-P461 HydrophobicContact CE1-CB 4.37Å; F346-P461 HydrophobicContact CG-CB 3.91Å; F346-P461 HydrophobicContact CG-CG 3.5Å; F346-P461 VanDerWaalsContact CG-CG 3.5Å; F346-L464 HydrophobicContact CD2-CD2 3.9Å; F346-L464 HydrophobicContact CE2-CD2 3.28Å; F346-L464 HydrophobicContact CZ-CD2 3.85Å
347	V	95	Very high	89	Confident	49 Å²	49	45.9 Å²	45.9	30%	0.297	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-43.6	175.6	169.7	0	0	0	0	110.3	Q343 A344 K350 Q351	Q343-V347 WeakPolarHBondContact O-CG2 3.3Å; Q343-V347 PolarHBondContact O-N 3.22Å; A344-V347 PolarHBondContact O-N 3.34Å; V347-K350 PolarHBondContact O-N 2.85Å; V347-Q351 WeakPolarHBondContact O-CB 3.36Å; V347-Q351 VanDerWaalsContact O-CG 3.25Å; V347-Q351 WeakPolarHBondContact O-CG 3.43Å; V347-Q351 PolarHBondContact O-N 2.94Å
348	K	94.8	Very high	86.8	Confident	106 Å²	106	46.4 Å²	46.4	46%	0.461	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-45.4	174.7	-69.5	176.2	178.4	-178.3	0	112.2	A344 A345 F346 K350 Q351 L352 T372	A344-K348 WeakPolarHBondContact O-CG 3.25Å; A344-K348 PolarHBondContact O-N 3.33Å; A344-K348 VanDerWaalsContact O-N 3.15Å; A345-K348 PolarHBondContact O-N 3.14Å; F346-K348 VanDerWaalsContact C-N 3.29Å; F346-K348 PolarHBondContact O-N 3.27Å; K348-K350 VanDerWaalsContact C-N 3.33Å; K348-K350 PolarHBondContact O-N 2.94Å; K348-Q351 PolarHBondContact O-N 3.06Å; K348-L352 WeakPolarHBondContact O-CB 3.42Å; K348-L352 PolarHBondContact O-N 2.85Å; K348-T372 HydrophobicContact CB-CG2 3.99Å
349	L	94.5	Very high	84.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-47.5	175.7	176.5	68.6	0	0	0	111.1	A345 F346 Q351 L352 C353 L369 T372 W374 L656 Y661	A345-L349 PolarHBondContact O-N 3.42Å; F346-L349 PolarHBondContact O-N 3.43Å; L349-Q351 PolarHBondContact O-N 3.37Å; L349-L352 WeakPolarHBondContact O-CB 3.36Å; L349-L352 PolarHBondContact O-N 3.17Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.23Å; L349-C353 PolarHBondContact O-SG 3.45Å; L349-L369 HydrophobicContact CD1-CD1 3.65Å; L349-T372 HydrophobicContact CB-CG2 4.25Å; L349-W374 HydrophobicContact CB-CB 4.31Å; L349-W374 HydrophobicContact CD2-CB 4.12Å; L349-W374 HydrophobicContact CD2-CD2 4Å; L349-W374 HydrophobicContact CD2-CG 3.6Å; L349-L656 HydrophobicContact CD1-CD1 4.21Å; L349-Y661 HydrophobicContact CD2-CD1 4.21Å; L349-Y661 HydrophobicContact CD2-CD2 4.35Å; L349-Y661 HydrophobicContact CD2-CE1 4.05Å; L349-Y661 HydrophobicContact CD2-CE2 4.18Å; L349-Y661 HydrophobicContact CD2-CG 4.36Å
350	K	91.9	Very high	82.7	Confident	13 Å²	13	56.5 Å²	56.5	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-46.4	179.3	-172.7	-178.1	-176.5	-170.1	0	111.4	E106 C138 F141 F346 V347 K348 L352 C353 V354	E106-K350 IonicContact OE1-NZ 3.37Å; E106-K350 PolarHBondContact OE1-NZ 3.08Å; E106-K350 IonicContact OE2-NZ 2.67Å; E106-K350 PolarHBondContact OE2-NZ 3.28Å; C138-K350 VanDerWaalsContact O-CE 3.29Å; C138-K350 WeakPolarHBondContact O-CE 3.36Å; C138-K350 PolarHBondContact O-NZ 3.36Å; F141-K350 HydrophobicContact CD1-CG 3.91Å; F141-K350 HydrophobicContact CE1-CB 3.95Å; F141-K350 HydrophobicContact CE1-CG 3.81Å; F141-K350 HydrophobicContact CZ-CB 4.38Å; F141-K350 HydrophobicContact CZ-CG 4.36Å; F346-K350 HydrophobicContact CE1-CD 4.4Å; F346-K350 VanDerWaalsContact O-CB 3.29Å; F346-K350 WeakPolarHBondContact O-CB 3.4Å; F346-K350 PolarHBondContact O-N 3.15Å; V347-K350 PolarHBondContact O-N 2.85Å; K348-K350 VanDerWaalsContact C-N 3.33Å; K348-K350 PolarHBondContact O-N 2.94Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.73Å; K350-C353 CarbonylContact O-C 3.59Å; K350-C353 PolarHBondContact O-N 3.08Å; K350-C353 VanDerWaalsContact O-N 3.1Å; K350-V354 HydrophobicContact CG-CG2 3.97Å; K350-V354 WeakPolarHBondContact O-CB 3.31Å; K350-V354 WeakPolarHBondContact O-CG2 3.27Å; K350-V354 PolarHBondContact O-N 2.94Å
351	Q	88.6	Confident	80.7	Confident	99 Å²	99	52.5 Å²	52.5	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-56.8	-45.7	173.9	-76.2	174.2	-6.1	0	0	111.5	V347 K348 L349 C353 V354 N355	V347-Q351 WeakPolarHBondContact O-CB 3.36Å; V347-Q351 VanDerWaalsContact O-CG 3.25Å; V347-Q351 WeakPolarHBondContact O-CG 3.43Å; V347-Q351 PolarHBondContact O-N 2.94Å; K348-Q351 PolarHBondContact O-N 3.06Å; L349-Q351 PolarHBondContact O-N 3.37Å; Q351-C353 VanDerWaalsContact C-N 3.28Å; Q351-C353 PolarHBondContact O-N 3.26Å; Q351-V354 PolarHBondContact O-N 3.28Å; Q351-N355 WeakPolarHBondContact CB-ND2 3.47Å; Q351-N355 WeakPolarHBondContact O-CB 3.45Å; Q351-N355 PolarHBondContact O-N 3.27Å
352	L	86.7	Confident	78.9	Confident	29 Å²	29	52 Å²	52	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-36	175.5	-177.1	64.4	0	0	0	112.7	K348 L349 K350 W365 L369 T372	K348-L352 WeakPolarHBondContact O-CB 3.42Å; K348-L352 PolarHBondContact O-N 2.85Å; L349-L352 WeakPolarHBondContact O-CB 3.36Å; L349-L352 PolarHBondContact O-N 3.17Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.73Å; L352-W365 HydrophobicContact CD2-CZ2 4.37Å; L352-L369 VanDerWaalsContact CD2-CA 3.46Å; L352-L369 HydrophobicContact CD2-CB 3.8Å; L352-L369 HydrophobicContact CD2-CD1 4.07Å; L352-T372 HydrophobicContact CD2-CG2 4.12Å
353	C	85.2	Confident	77.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-84.6	-5	178.5	-69.3	0	0	0	0	114	F141 L349 K350 Q351 F662 R749	F141-C353 HydrophobicContact CD1-CB 3.82Å; F141-C353 HydrophobicContact CE1-CB 3.77Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.23Å; L349-C353 PolarHBondContact O-SG 3.45Å; K350-C353 CarbonylContact O-C 3.59Å; K350-C353 PolarHBondContact O-N 3.08Å; K350-C353 VanDerWaalsContact O-N 3.1Å; Q351-C353 VanDerWaalsContact C-N 3.28Å; Q351-C353 PolarHBondContact O-N 3.26Å; C353-F662 HydrophobicContact CB-CD1 4.43Å; C353-F662 HydrophobicContact CB-CE1 4.01Å; C353-F662 VanDerWaalsContact SG-CE1 3.58Å; C353-R749 PolarHBondContact O-NH2 3.43Å
354	V	79.2	Confident	76.6	Confident	10 Å²	10	65.2 Å²	65.2	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-130	-33.2	-171.9	175.5	0	0	0	0	113.2	Y137 F141 I143 K350 Q351 L747	Y137-V354 HydrophobicContact CD1-CG1 4.4Å; F141-V354 HydrophobicContact CB-CG2 4.17Å; F141-V354 HydrophobicContact CD1-CG2 3.81Å; F141-V354 HydrophobicContact CG-CG2 4.42Å; I143-V354 HydrophobicContact CD1-CG1 3.48Å; I143-V354 VanDerWaalsContact CD1-CG1 3.48Å; I143-V354 HydrophobicContact CG1-CG1 3.73Å; K350-V354 HydrophobicContact CG-CG2 3.97Å; K350-V354 WeakPolarHBondContact O-CB 3.31Å; K350-V354 WeakPolarHBondContact O-CG2 3.27Å; K350-V354 PolarHBondContact O-N 2.94Å; Q351-V354 PolarHBondContact O-N 3.28Å; V354-L747 HydrophobicContact CG1-CD1 4.45Å
355	N	68	Low	75.8	Confident	91 Å²	91	62.9 Å²	62.9	49%	0.487	31%	0.306	S	S	.	.			trans	-79.2	152.4	-171.8	-69.8	-16.3	0	0	0	114.5	Q351	Q351-N355 WeakPolarHBondContact CB-ND2 3.47Å; Q351-N355 WeakPolarHBondContact O-CB 3.45Å; Q351-N355 PolarHBondContact O-N 3.27Å
356	E	54.6	Low	75.1	Confident	87 Å²	87	65.2 Å²	65.2	41%	0.407	32%	0.317	S	S	.	.	S	Bend	trans	-110.3	139.4	176.5	-65.3	-80.9	112.4	0	0	108.7	R749 R750	E356-R749 WeakPolarHBondContact OE1-CA 3.44Å; E356-R749 WeakPolarHBondContact OE1-CB 3.43Å; E356-R749 WeakPolarHBondContact OE1-CD 3.44Å; E356-R749 WeakPolarHBondContact OE1-CG 3.38Å; E356-R750 PolarHBondContact OE2-N 3.05Å
357	P	52.5	Low	74.7	Confident	55 Å²	55	66.4 Å²	66.4	36%	0.357	33%	0.327	S	S	.	.			cis	-115.8	142	19.4	35.2	-20.8	0	0	0	114.2	E359 E360	P357-E359 VanDerWaalsContact C-N 3.26Å; P357-E359 PolarHBondContact O-N 3.46Å; P357-E360 HydrophobicContact CG-CG 4.49Å
358	F	52.1	Low	74.5	Confident	26 Å²	26	65.8 Å²	65.8	11%	0.114	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-27.5	-177.7	-154.7	-81.3	0	0	0	113.6	E360 T361 E362 W365 I752 T755 L757	F358-E360 PolarHBondContact O-N 3.3Å; F358-E360 VanDerWaalsContact O-N 3.16Å; F358-T361 WeakPolarHBondContact CA-OG1 3.41Å; F358-T361 PolarHBondContact O-N 2.95Å; F358-T361 PolarHBondContact O-OG1 3.3Å; F358-E362 HydrophobicContact CD1-CB 4.39Å; F358-E362 HydrophobicContact CD1-CG 4.46Å; F358-E362 HydrophobicContact CE1-CB 4.21Å; F358-E362 HydrophobicContact CE1-CG 4.13Å; F358-E362 PolarHBondContact O-N 2.89Å; F358-E362 VanDerWaalsContact O-N 3.1Å; F358-W365 AromaticContact CE2-CD1 3.87Å; F358-W365 HydrophobicContact CZ-CB 4.38Å; F358-W365 AromaticContact CZ-CD1 3.94Å; F358-W365 HydrophobicContact CZ-CG 4.23Å; F358-I752 HydrophobicContact CD2-CG2 4.5Å; F358-T755 VanDerWaalsContact CD1-CB 3.44Å; F358-T755 HydrophobicContact CD1-CG2 3.26Å; F358-T755 HydrophobicContact CE1-CG2 3.66Å; F358-T755 HydrophobicContact CG-CG2 4.17Å; F358-L757 HydrophobicContact CD2-CB 4.42Å; F358-L757 HydrophobicContact CD2-CD2 4.13Å; F358-L757 HydrophobicContact CE1-CB 4.08Å; F358-L757 HydrophobicContact CE2-CB 3.3Å; F358-L757 HydrophobicContact CE2-CD2 3.46Å; F358-L757 VanDerWaalsContact CE2-CD2 3.46Å; F358-L757 HydrophobicContact CE2-CG 3.99Å; F358-L757 HydrophobicContact CZ-CB 3.1Å; F358-L757 HydrophobicContact CZ-CD2 4.21Å; F358-L757 HydrophobicContact CZ-CG 4.26Å
359	E	55.1	Low	74.3	Confident	144 Å²	144	61.5 Å²	61.5	67%	0.673	31%	0.307	S	S	*	.	H	α-helix	trans	-53.9	-36	-178.6	-66.1	173.1	-161.9	0	0	112.6	P357 R750	P357-E359 VanDerWaalsContact C-N 3.26Å; P357-E359 PolarHBondContact O-N 3.46Å; E359-R750 IonicContact OE1-NH1 3.09Å
360	E	52.1	Low	74.2	Confident	164 Å²	164	68.3 Å²	68.3	77%	0.766	34%	0.339	S	S	*	.	H	α-helix	trans	-85.9	-19.9	179.9	-65.6	178.2	-178.6	0	0	113.7	P357 F358	P357-E360 HydrophobicContact CG-CG 4.49Å; F358-E360 PolarHBondContact O-N 3.3Å; F358-E360 VanDerWaalsContact O-N 3.16Å
361	T	56.8	Low	74.3	Confident	47 Å²	47	72.9 Å²	72.9	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-100.6	-0.5	-176	42.5	0	0	0	0	113.3	F358 K364 W365	F358-T361 WeakPolarHBondContact CA-OG1 3.41Å; F358-T361 PolarHBondContact O-N 2.95Å; F358-T361 PolarHBondContact O-OG1 3.3Å; T361-K364 CarbonylContact O-C 3.53Å; T361-K364 PolarHBondContact O-N 3.16Å; T361-W365 WeakPolarHBondContact O-CA 3.46Å; T361-W365 WeakPolarHBondContact O-CB 3.27Å; T361-W365 PolarHBondContact O-N 3.17Å
362	E	59.7	Low	74.6	Confident	68 Å²	68	68.4 Å²	68.4	32%	0.318	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-62.1	-168.5	-165.3	176.1	168.6	0	0	112.9	F358 K364 T755 P756	F358-E362 HydrophobicContact CD1-CB 4.39Å; F358-E362 HydrophobicContact CD1-CG 4.46Å; F358-E362 HydrophobicContact CE1-CB 4.21Å; F358-E362 HydrophobicContact CE1-CG 4.13Å; F358-E362 PolarHBondContact O-N 2.89Å; F358-E362 VanDerWaalsContact O-N 3.1Å; E362-K364 VanDerWaalsContact C-N 3.3Å; E362-K364 PolarHBondContact O-N 3.3Å; E362-T755 HydrophobicContact CG-CG2 4.45Å; E362-T755 WeakPolarHBondContact OE1-CA 3.38Å; E362-P756 HydrophobicContact CG-CG 3.84Å; E362-P756 WeakPolarHBondContact O-CB 3.43Å; E362-P756 WeakPolarHBondContact O-CD 3.43Å; E362-P756 WeakPolarHBondContact O-CG 3.49Å; E362-P756 WeakPolarHBondContact OE1-CD 3.5Å
363	E	68	Low	75.1	Confident	175 Å²	175	71.8 Å²	71.8	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27	-176.6	-61.8	-178.3	162.2	0	0	113
364	K	79	Confident	75.7	Confident	140 Å²	140	71.7 Å²	71.7	61%	0.609	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	9.9	-172.7	-62.4	-179.5	-176.9	175.1	0	113.4	T361 E362 L366 S367 S368	T361-K364 CarbonylContact O-C 3.53Å; T361-K364 PolarHBondContact O-N 3.16Å; E362-K364 VanDerWaalsContact C-N 3.3Å; E362-K364 PolarHBondContact O-N 3.3Å; K364-L366 PolarHBondContact O-N 2.85Å; K364-S367 PolarHBondContact O-N 2.58Å; K364-S368 VanDerWaalsContact O-CB 3.26Å; K364-S368 WeakPolarHBondContact O-CB 3.34Å; K364-S368 PolarHBondContact O-N 3.33Å; K364-S368 PolarHBondContact O-OG 3.22Å
365	W	82.1	Confident	76.6	Confident	1 Å²	1	73 Å²	73	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-44.1	-172.6	-172.8	84.7	0	0	0	112.6	L352 F358 T361 S368 L369 L656 F662 L757 F760	L352-W365 HydrophobicContact CD2-CZ2 4.37Å; F358-W365 AromaticContact CE2-CD1 3.87Å; F358-W365 HydrophobicContact CZ-CB 4.38Å; F358-W365 AromaticContact CZ-CD1 3.94Å; F358-W365 HydrophobicContact CZ-CG 4.23Å; T361-W365 WeakPolarHBondContact O-CA 3.46Å; T361-W365 WeakPolarHBondContact O-CB 3.27Å; T361-W365 PolarHBondContact O-N 3.17Å; W365-S368 WeakPolarHBondContact O-CB 3.19Å; W365-S368 PolarHBondContact O-N 2.78Å; W365-L369 HydrophobicContact CH2-CD2 3.74Å; W365-L369 HydrophobicContact CZ3-CD2 3.89Å; W365-L369 WeakPolarHBondContact O-CB 3.32Å; W365-L369 PolarHBondContact O-N 2.91Å; W365-L656 HydrophobicContact CH2-CD2 3.84Å; W365-L656 HydrophobicContact CZ2-CD2 4.31Å; W365-F662 HydrophobicContact CH2-CZ 4.38Å; W365-F662 AromaticContact CZ2-CZ 3.84Å; W365-F662 HydrophobicContact CZ2-CZ 3.84Å; W365-L757 HydrophobicContact CD2-CD1 4.37Å; W365-L757 HydrophobicContact CH2-CD1 4.12Å; W365-L757 HydrophobicContact CZ2-CD1 3.8Å; W365-F760 HydrophobicContact CH2-CD1 4.02Å; W365-F760 AromaticContact CH2-CE1 3.95Å; W365-F760 HydrophobicContact CH2-CE1 3.95Å; W365-F760 HydrophobicContact CH2-CZ 4.46Å; W365-F760 AromaticContact CZ3-CD1 3.9Å; W365-F760 HydrophobicContact CZ3-CD1 3.9Å; W365-F760 HydrophobicContact CZ3-CD2 4.34Å; W365-F760 HydrophobicContact CZ3-CE1 4.12Å; W365-F760 HydrophobicContact CZ3-CG 4.02Å; W365-F760 HydrophobicContact CZ3-CZ 4.43Å
366	L	84.5	Confident	78	Confident	53 Å²	53	72.1 Å²	72.1	28%	0.277	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-43.6	178	-67.7	174.1	0	0	0	111.8	K364 S368 L369 E370 F760	K364-L366 PolarHBondContact O-N 2.85Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.31Å; L366-L369 WeakPolarHBondContact O-CB 3.31Å; L366-L369 PolarHBondContact O-N 2.84Å; L366-E370 PolarHBondContact O-N 3.46Å; L366-F760 HydrophobicContact CD2-CD2 4.45Å
367	S	89	Confident	80.1	Confident	37 Å²	37	68.6 Å²	68.6	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-38.4	173.9	-51.6	0	0	0	0	111.5	K364 E370 N371	K364-S367 PolarHBondContact O-N 2.58Å; S367-E370 PolarHBondContact O-N 3.37Å; S367-N371 VanDerWaalsContact O-CB 3.31Å; S367-N371 WeakPolarHBondContact O-CB 3.44Å; S367-N371 PolarHBondContact O-N 2.99Å; S367-N371 PolarHBondContact O-ND2 3.26Å
368	S	89.7	Confident	82.3	Confident	36 Å²	36	66 Å²	66	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-41.2	174.6	-62.1	0	0	0	0	111.6	K364 W365 L366 N371 T372	K364-S368 VanDerWaalsContact O-CB 3.26Å; K364-S368 WeakPolarHBondContact O-CB 3.34Å; K364-S368 PolarHBondContact O-N 3.33Å; K364-S368 PolarHBondContact O-OG 3.22Å; W365-S368 WeakPolarHBondContact O-CB 3.19Å; W365-S368 PolarHBondContact O-N 2.78Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.31Å; S368-N371 PolarHBondContact O-N 2.67Å; S368-T372 WeakPolarHBondContact O-CG2 3.12Å; S368-T372 PolarHBondContact O-N 3.03Å
369	L	90.6	Very high	84.5	Confident	15 Å²	15	69.6 Å²	69.6	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-46	174.9	178.4	64.7	0	0	0	111	L349 L352 W365 L366 N371 T372 L375 L656	L349-L369 HydrophobicContact CD1-CD1 3.65Å; L352-L369 VanDerWaalsContact CD2-CA 3.46Å; L352-L369 HydrophobicContact CD2-CB 3.8Å; L352-L369 HydrophobicContact CD2-CD1 4.07Å; W365-L369 HydrophobicContact CH2-CD2 3.74Å; W365-L369 HydrophobicContact CZ3-CD2 3.89Å; W365-L369 WeakPolarHBondContact O-CB 3.32Å; W365-L369 PolarHBondContact O-N 2.91Å; L366-L369 WeakPolarHBondContact O-CB 3.31Å; L366-L369 PolarHBondContact O-N 2.84Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 2.95Å; L369-T372 WeakPolarHBondContact O-CB 3.27Å; L369-T372 WeakPolarHBondContact O-CG2 3.21Å; L369-T372 PolarHBondContact O-N 3.36Å; L369-T372 VanDerWaalsContact O-N 3.14Å; L369-T372 PolarHBondContact O-OG1 2.81Å; L369-L375 HydrophobicContact CD2-CD1 4.06Å; L369-L375 HydrophobicContact CG-CD1 4.41Å; L369-L656 HydrophobicContact CD1-CD1 4.26Å; L369-L656 HydrophobicContact CD2-CD2 4.5Å
370	E	91.9	Very high	86.5	Confident	144 Å²	144	64.2 Å²	64.2	67%	0.673	31%	0.312	S	S	*	.	H	α-helix	trans	-61	-42.3	175.5	-173.6	166.5	-154.9	0	0	111.6	L366 S367 T372 R373	L366-E370 PolarHBondContact O-N 3.46Å; S367-E370 PolarHBondContact O-N 3.37Å; E370-T372 PolarHBondContact O-N 2.94Å; E370-T372 VanDerWaalsContact O-N 3.12Å; E370-R373 PolarHBondContact O-N 3.09Å
371	N	94	Very high	88.7	Confident	109 Å²	109	56.4 Å²	56.4	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-64.3	-14.4	175.7	-73.1	-29.7	0	0	0	114.4	S367 S368 L369 R373	S367-N371 VanDerWaalsContact O-CB 3.31Å; S367-N371 WeakPolarHBondContact O-CB 3.44Å; S367-N371 PolarHBondContact O-N 2.99Å; S367-N371 PolarHBondContact O-ND2 3.26Å; S368-N371 PolarHBondContact O-N 2.67Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 2.95Å; N371-R373 VanDerWaalsContact C-N 3.26Å
372	T	95.9	Very high	90.7	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.025	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.2	168.7	73.9	0	0	0	0	111.8	A345 K348 L349 L352 S368 L369 E370 W374	A345-T372 WeakPolarHBondContact CA-O 3.46Å; A345-T372 WeakPolarHBondContact CB-O 3.27Å; K348-T372 HydrophobicContact CB-CG2 3.99Å; L349-T372 HydrophobicContact CB-CG2 4.25Å; L352-T372 HydrophobicContact CD2-CG2 4.12Å; S368-T372 WeakPolarHBondContact O-CG2 3.12Å; S368-T372 PolarHBondContact O-N 3.03Å; L369-T372 WeakPolarHBondContact O-CB 3.27Å; L369-T372 WeakPolarHBondContact O-CG2 3.21Å; L369-T372 PolarHBondContact O-N 3.36Å; L369-T372 VanDerWaalsContact O-N 3.14Å; L369-T372 PolarHBondContact O-OG1 2.81Å; E370-T372 PolarHBondContact O-N 2.94Å; E370-T372 VanDerWaalsContact O-N 3.12Å; T372-W374 PolarHBondContact O-N 3.16Å; T372-W374 VanDerWaalsContact O-N 3.15Å; T372-W374 PolarHBondContact OG1-N 3.39Å; T372-W374 VanDerWaalsContact OG1-N 3.16Å
373	R	97.7	Very high	92.5	Very high	100 Å²	100	56 Å²	56	38%	0.377	27%	0.269	S	S	.	.			trans	60.4	7.9	-170.9	-52.1	-175.3	70	-168.3	0.5	115	E370 N371 E376 Y377	E370-R373 PolarHBondContact O-N 3.09Å; N371-R373 VanDerWaalsContact C-N 3.26Å; R373-E376 HydrophobicContact CB-CB 4.42Å; R373-E376 WeakPolarHBondContact CG-OE2 3.36Å; R373-E376 IonicContact CZ-OE1 3.87Å; R373-E376 IonicContact CZ-OE2 3.89Å; R373-E376 IonicContact NE-OE1 3.55Å; R373-E376 IonicContact NE-OE2 3.63Å; R373-E376 PolarHBondContact NE-OE2 3.15Å; R373-E376 IonicContact NH2-OE1 2.88Å; R373-E376 PolarHBondContact NH2-OE1 3.08Å; R373-E376 IonicContact NH2-OE2 2.91Å; R373-E376 WeakPolarHBondContact O-CB 3.47Å; R373-E376 PolarHBondContact O-N 3.42Å; R373-Y377 HydrophobicContact CB-CE1 4.14Å; R373-Y377 HydrophobicContact CB-CE2 4.3Å; R373-Y377 PolarHBondContact NH1-OH 3.45Å; R373-Y377 VanDerWaalsContact O-CG 3.29Å; R373-Y377 PolarHBondContact O-N 3.45Å
374	W	98	Very high	94	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-52.3	-177.8	179.4	-100.3	0	0	0	112.4	V342 A345 F346 L349 T372 E376 Y377 V378 P461 L464 L465 D468 Y661	V342-W374 HydrophobicContact CG1-CZ3 3.95Å; A345-W374 HydrophobicContact CB-CE3 4.36Å; F346-W374 HydrophobicContact CB-CE3 3.97Å; F346-W374 HydrophobicContact CB-CH2 4.47Å; F346-W374 HydrophobicContact CB-CZ3 3.7Å; F346-W374 HydrophobicContact CD2-CE3 4.44Å; F346-W374 HydrophobicContact CD2-CH2 4.13Å; F346-W374 HydrophobicContact CD2-CZ3 4.11Å; F346-W374 HydrophobicContact CG-CZ3 4.31Å; L349-W374 HydrophobicContact CB-CB 4.31Å; L349-W374 HydrophobicContact CD2-CB 4.12Å; L349-W374 HydrophobicContact CD2-CD2 4Å; L349-W374 HydrophobicContact CD2-CG 3.6Å; T372-W374 PolarHBondContact O-N 3.16Å; T372-W374 VanDerWaalsContact O-N 3.15Å; T372-W374 PolarHBondContact OG1-N 3.39Å; T372-W374 VanDerWaalsContact OG1-N 3.16Å; W374-E376 VanDerWaalsContact C-N 3.27Å; W374-E376 PolarHBondContact O-N 2.93Å; W374-Y377 PolarHBondContact O-N 3.15Å; W374-Y377 VanDerWaalsContact O-N 3.15Å; W374-V378 WeakPolarHBondContact O-CG2 3.47Å; W374-V378 PolarHBondContact O-N 3.01Å; W374-P461 HydrophobicContact CH2-CB 4.37Å; W374-P461 HydrophobicContact CH2-CG 4.12Å; W374-P461 HydrophobicContact CZ3-CG 3.93Å; W374-L464 HydrophobicContact CH2-CD2 4.44Å; W374-L464 HydrophobicContact CH2-CG 4.42Å; W374-L464 HydrophobicContact CZ2-CD2 4.38Å; W374-L464 HydrophobicContact CZ2-CG 4.21Å; W374-L465 HydrophobicContact CH2-CB 3.74Å; W374-L465 HydrophobicContact CH2-CD1 4.44Å; W374-L465 HydrophobicContact CH2-CG 4.43Å; W374-L465 HydrophobicContact CZ2-CB 4.13Å; W374-L465 HydrophobicContact CZ3-CB 4.44Å; W374-L465 HydrophobicContact CZ3-CD1 4.4Å; W374-D468 PolarHBondContact NE1-OD2 2.68Å; W374-Y661 AromaticContact NE1-CZ 3.75Å; W374-Y661 PolarHBondContact NE1-OH 3.12Å; W374-Y661 VanDerWaalsContact NE1-OH 3.11Å
375	L	97.2	Very high	94.9	Very high	37 Å²	37	41.4 Å²	41.4	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-29.1	179.2	-61.2	-179.1	0	0	0	112.1	L369 R379 I654 L656	L369-L375 HydrophobicContact CD2-CD1 4.06Å; L369-L375 HydrophobicContact CG-CD1 4.41Å; L375-R379 VanDerWaalsContact O-CB 3.23Å; L375-R379 WeakPolarHBondContact O-CB 3.23Å; L375-R379 PolarHBondContact O-N 3.2Å; L375-I654 HydrophobicContact CB-CG2 4.16Å; L375-I654 HydrophobicContact CD2-CG2 4.19Å; L375-L656 HydrophobicContact CD2-CD1 4.35Å
376	E	97.3	Very high	95.7	Very high	73 Å²	73	41.5 Å²	41.5	34%	0.341	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-43.9	171.3	-174.5	-162.4	155	0	0	110.8	R373 W374 R379 A380	R373-E376 HydrophobicContact CB-CB 4.42Å; R373-E376 WeakPolarHBondContact CG-OE2 3.36Å; R373-E376 IonicContact CZ-OE1 3.87Å; R373-E376 IonicContact CZ-OE2 3.89Å; R373-E376 IonicContact NE-OE1 3.55Å; R373-E376 IonicContact NE-OE2 3.63Å; R373-E376 PolarHBondContact NE-OE2 3.15Å; R373-E376 IonicContact NH2-OE1 2.88Å; R373-E376 PolarHBondContact NH2-OE1 3.08Å; R373-E376 IonicContact NH2-OE2 2.91Å; R373-E376 WeakPolarHBondContact O-CB 3.47Å; R373-E376 PolarHBondContact O-N 3.42Å; W374-E376 VanDerWaalsContact C-N 3.27Å; W374-E376 PolarHBondContact O-N 2.93Å; E376-R379 WeakPolarHBondContact O-CB 3.48Å; E376-R379 PolarHBondContact O-N 2.67Å; E376-A380 WeakPolarHBondContact O-CB 3.38Å; E376-A380 PolarHBondContact O-N 3.37Å
377	Y	98.5	Very high	96.3	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-70.5	-44.1	177.6	-63.9	-14.3	0	0	0	112.1	P337 E341 V342 A345 R373 W374 R379 A380 F381	P337-Y377 HydrophobicContact CB-CD1 4.01Å; P337-Y377 HydrophobicContact CB-CD2 4.23Å; P337-Y377 HydrophobicContact CB-CE1 3.79Å; P337-Y377 HydrophobicContact CB-CE2 4Å; P337-Y377 HydrophobicContact CB-CG 4.23Å; P337-Y377 HydrophobicContact CG-CD1 3.6Å; P337-Y377 HydrophobicContact CG-CD2 4.02Å; P337-Y377 HydrophobicContact CG-CE1 3.93Å; P337-Y377 HydrophobicContact CG-CE2 4.3Å; P337-Y377 HydrophobicContact CG-CG 3.65Å; E341-Y377 HydrophobicContact CB-CE2 4.14Å; V342-Y377 HydrophobicContact CG2-CD2 4.23Å; A345-Y377 HydrophobicContact CB-CD2 3.77Å; A345-Y377 HydrophobicContact CB-CE2 3.68Å; R373-Y377 HydrophobicContact CB-CE1 4.14Å; R373-Y377 HydrophobicContact CB-CE2 4.3Å; R373-Y377 PolarHBondContact NH1-OH 3.45Å; R373-Y377 VanDerWaalsContact O-CG 3.29Å; R373-Y377 PolarHBondContact O-N 3.45Å; W374-Y377 PolarHBondContact O-N 3.15Å; W374-Y377 VanDerWaalsContact O-N 3.15Å; Y377-R379 PolarHBondContact O-N 3.19Å; Y377-A380 PolarHBondContact O-N 3.49Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.44Å; Y377-F381 PolarHBondContact O-N 3.37Å
378	V	98.5	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-52.9	-45.2	171.5	173.2	0	0	0	0	110.5	W374 L382 L465 D468 A469 Q472 I654	W374-V378 WeakPolarHBondContact O-CG2 3.47Å; W374-V378 PolarHBondContact O-N 3.01Å; V378-L382 HydrophobicContact CG1-CD1 4.08Å; V378-L382 WeakPolarHBondContact O-CG 3.36Å; V378-L382 PolarHBondContact O-N 3.47Å; V378-L382 VanDerWaalsContact O-N 3.12Å; V378-L465 HydrophobicContact CG2-CG 4.18Å; V378-D468 HydrophobicContact CG2-CB 4.24Å; V378-A469 HydrophobicContact CG1-CB 4.28Å; V378-Q472 HydrophobicContact CG1-CG 3.78Å; V378-I654 HydrophobicContact CG1-CG2 4.43Å
379	R	98	Very high	97.2	Very high	102 Å²	102	38 Å²	38	39%	0.385	18%	0.178	S	C	.	.	H	α-helix	trans	-61.4	-45.3	175.2	-178	178.9	63.5	164.5	0.3	112.5	L375 E376 Y377 L382 K383 V649 I654	L375-R379 VanDerWaalsContact O-CB 3.23Å; L375-R379 WeakPolarHBondContact O-CB 3.23Å; L375-R379 PolarHBondContact O-N 3.2Å; E376-R379 WeakPolarHBondContact O-CB 3.48Å; E376-R379 PolarHBondContact O-N 2.67Å; Y377-R379 PolarHBondContact O-N 3.19Å; R379-L382 PolarHBondContact O-N 3.25Å; R379-K383 VanDerWaalsContact O-CB 3.29Å; R379-K383 WeakPolarHBondContact O-CB 3.49Å; R379-K383 PolarHBondContact O-N 3.11Å; R379-V649 WeakPolarHBondContact CD-O 3.42Å; R379-V649 HydrophobicContact CG-CB 4.14Å; R379-V649 VanDerWaalsContact CG-O 3.26Å; R379-V649 WeakPolarHBondContact CG-O 3.38Å; R379-I654 HydrophobicContact CB-CG1 4.11Å; R379-I654 HydrophobicContact CG-CG1 4.27Å
380	A	98.2	Very high	97.6	Very high	31 Å²	31	38 Å²	38	26%	0.256	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-46.1	-179.1	0	0	0	0	0	111.8	L336 E376 Y377 L382 K383 H384	L336-A380 HydrophobicContact CD2-CB 4.25Å; E376-A380 WeakPolarHBondContact O-CB 3.38Å; E376-A380 PolarHBondContact O-N 3.37Å; Y377-A380 PolarHBondContact O-N 3.49Å; A380-L382 PolarHBondContact O-N 2.83Å; A380-K383 PolarHBondContact O-N 3.31Å; A380-H384 WeakPolarHBondContact O-CB 3.42Å; A380-H384 PolarHBondContact O-N 2.91Å
381	F	98.7	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-40.9	176.8	-83.1	-99.6	0	0	0	112.5	L336 P337 V342 Y377 S385 L409 C412 V413 L416 L462 L465	L336-F381 HydrophobicContact CB-CE2 4.46Å; L336-F381 HydrophobicContact CB-CZ 4.31Å; L336-F381 HydrophobicContact CD1-CD1 3.83Å; L336-F381 HydrophobicContact CD1-CE1 3.76Å; L336-F381 HydrophobicContact CD1-CG 4.34Å; L336-F381 HydrophobicContact CD1-CZ 4.21Å; L336-F381 HydrophobicContact CD2-CD2 4.16Å; L336-F381 HydrophobicContact CD2-CE2 4.46Å; L336-F381 HydrophobicContact CD2-CG 4.22Å; P337-F381 HydrophobicContact CG-CE2 3.87Å; V342-F381 HydrophobicContact CG2-CE2 4.47Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.44Å; Y377-F381 PolarHBondContact O-N 3.37Å; F381-S385 VanDerWaalsContact O-CB 3.26Å; F381-S385 WeakPolarHBondContact O-CB 3.47Å; F381-S385 PolarHBondContact O-N 2.88Å; F381-S385 PolarHBondContact O-OG 3.13Å; F381-L409 HydrophobicContact CE1-CD2 4.3Å; F381-L409 HydrophobicContact CZ-CD2 3.88Å; F381-C412 HydrophobicContact CD1-CB 4.11Å; F381-C412 VanDerWaalsContact CD1-SG 3.55Å; F381-C412 HydrophobicContact CE1-CB 3.98Å; F381-V413 HydrophobicContact CD1-CG2 4.08Å; F381-V413 HydrophobicContact CE1-CG2 4.39Å; F381-L416 HydrophobicContact CB-CD1 4.13Å; F381-L462 HydrophobicContact CE1-CD1 3.91Å; F381-L462 HydrophobicContact CE2-CD1 4.4Å; F381-L462 HydrophobicContact CZ-CD1 3.61Å; F381-L465 HydrophobicContact CB-CD2 3.97Å; F381-L465 HydrophobicContact CD1-CD2 4.1Å; F381-L465 HydrophobicContact CD2-CD1 4.12Å; F381-L465 HydrophobicContact CD2-CD2 3.63Å; F381-L465 HydrophobicContact CE1-CD2 4.47Å; F381-L465 HydrophobicContact CE2-CD1 4.04Å; F381-L465 HydrophobicContact CE2-CD2 4.03Å; F381-L465 HydrophobicContact CG-CD2 3.64Å; F381-L465 HydrophobicContact CZ-CD2 4.44Å
382	L	98.6	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-45.1	175.8	-77.7	171.3	0	0	0	112.2	V378 R379 A380 S385 A386 L416 M420 A469 Q472 L473 P647 V649 I654	V378-L382 HydrophobicContact CG1-CD1 4.08Å; V378-L382 WeakPolarHBondContact O-CG 3.36Å; V378-L382 PolarHBondContact O-N 3.47Å; V378-L382 VanDerWaalsContact O-N 3.12Å; R379-L382 PolarHBondContact O-N 3.25Å; A380-L382 PolarHBondContact O-N 2.83Å; L382-S385 PolarHBondContact O-N 2.82Å; L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 3.5Å; L382-L416 HydrophobicContact CD2-CD2 4.38Å; L382-M420 HydrophobicContact CD2-CE 3.73Å; L382-A469 HydrophobicContact CD1-CB 4.35Å; L382-A469 HydrophobicContact CD2-CB 3.95Å; L382-A469 HydrophobicContact CG-CB 3.93Å; L382-Q472 HydrophobicContact CD1-CB 3.76Å; L382-Q472 HydrophobicContact CD1-CG 3.86Å; L382-L473 HydrophobicContact CD2-CD1 4.35Å; L382-L473 HydrophobicContact CD2-CD2 4.4Å; L382-L473 HydrophobicContact CD2-CG 4.14Å; L382-P647 HydrophobicContact CB-CB 4.34Å; L382-P647 HydrophobicContact CB-CG 4.05Å; L382-P647 HydrophobicContact CD1-CB 4.49Å; L382-P647 HydrophobicContact CD2-CB 4.21Å; L382-P647 HydrophobicContact CD2-CG 4.17Å; L382-V649 HydrophobicContact CB-CG1 3.96Å; L382-I654 HydrophobicContact CD1-CD1 3.9Å
383	K	97.8	Very high	98	Very high	107 Å²	107	29.4 Å²	29.4	47%	0.465	13%	0.133	S	C	.	.	H	α-helix	trans	-60.3	-51.9	178.6	-179.5	-179.2	174.5	-173.5	0	110.2	R379 A380 S385 A386 E387 V649	R379-K383 VanDerWaalsContact O-CB 3.29Å; R379-K383 WeakPolarHBondContact O-CB 3.49Å; R379-K383 PolarHBondContact O-N 3.11Å; A380-K383 PolarHBondContact O-N 3.31Å; K383-S385 PolarHBondContact O-N 2.96Å; K383-A386 WeakPolarHBondContact O-CB 3.16Å; K383-A386 PolarHBondContact O-N 3.41Å; K383-A386 VanDerWaalsContact O-N 3.14Å; K383-E387 WeakPolarHBondContact CE-OE1 3.13Å; K383-E387 WeakPolarHBondContact O-CG 3.4Å; K383-E387 PolarHBondContact O-N 2.94Å; K383-V649 HydrophobicContact CB-CB 4.39Å; K383-V649 HydrophobicContact CB-CG1 4.26Å; K383-V649 HydrophobicContact CB-CG2 4.24Å; K383-V649 HydrophobicContact CG-CG2 4.32Å
384	H	98.6	Very high	97.9	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-42.6	-179.4	-171.5	54.4	0	0	0	112.1	S330 L332 L336 A380 A386 E387 L388	S330-H384 PolarHBondContact OG-CE1 2.84Å; S330-H384 PolarHBondContact OG-NE2 3.26Å; L332-H384 WeakPolarHBondContact CD2-NE2 3.46Å; L336-H384 HydrophobicContact CD2-CB 4.05Å; A380-H384 WeakPolarHBondContact O-CB 3.42Å; A380-H384 PolarHBondContact O-N 2.91Å; H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 3.36Å; H384-E387 IonicContact ND1-OE2 3.72Å; H384-E387 PolarHBondContact ND1-OE2 2.81Å; H384-E387 WeakPolarHBondContact O-CB 3.48Å; H384-E387 PolarHBondContact O-N 3.38Å; H384-L388 WeakPolarHBondContact O-CG 3.18Å; H384-L388 PolarHBondContact O-N 3.3Å
385	S	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-40.2	175.1	-57.7	0	0	0	0	111.8	F381 L382 K383 L388 V389 L416	F381-S385 VanDerWaalsContact O-CB 3.26Å; F381-S385 WeakPolarHBondContact O-CB 3.47Å; F381-S385 PolarHBondContact O-N 2.88Å; F381-S385 PolarHBondContact O-OG 3.13Å; L382-S385 PolarHBondContact O-N 2.82Å; K383-S385 PolarHBondContact O-N 2.96Å; S385-L388 PolarHBondContact O-N 3.48Å; S385-V389 WeakPolarHBondContact O-CG2 3.2Å; S385-V389 PolarHBondContact O-N 3.42Å; S385-L416 WeakPolarHBondContact OG-CB 3.42Å
386	A	98.3	Very high	97.8	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-36.3	177.7	0	0	0	0	0	112.8	L382 K383 H384 V389 Y390 M420 F631 L646 P647	L382-A386 WeakPolarHBondContact O-CB 3.47Å; L382-A386 PolarHBondContact O-N 3.5Å; K383-A386 WeakPolarHBondContact O-CB 3.16Å; K383-A386 PolarHBondContact O-N 3.41Å; K383-A386 VanDerWaalsContact O-N 3.14Å; H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 3.36Å; A386-V389 WeakPolarHBondContact O-CB 3.29Å; A386-V389 PolarHBondContact O-N 3.17Å; A386-Y390 PolarHBondContact O-N 3.46Å; A386-M420 HydrophobicContact CB-SD 4.36Å; A386-F631 HydrophobicContact CB-CE1 3.85Å; A386-F631 HydrophobicContact CB-CZ 3.8Å; A386-L646 HydrophobicContact CB-CD2 4.22Å; A386-P647 HydrophobicContact CB-CG 4.03Å
387	E	98	Very high	97.9	Very high	53 Å²	53	30.7 Å²	30.7	25%	0.248	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-42.1	172.6	-67.2	162.3	177	0	0	110.9	K383 H384 V389 Y390 M391 T627 F631	K383-E387 WeakPolarHBondContact CE-OE1 3.13Å; K383-E387 WeakPolarHBondContact O-CG 3.4Å; K383-E387 PolarHBondContact O-N 2.94Å; H384-E387 IonicContact ND1-OE2 3.72Å; H384-E387 PolarHBondContact ND1-OE2 2.81Å; H384-E387 WeakPolarHBondContact O-CB 3.48Å; H384-E387 PolarHBondContact O-N 3.38Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 2.87Å; E387-Y390 VanDerWaalsContact O-CB 3.3Å; E387-Y390 WeakPolarHBondContact O-CB 3.23Å; E387-Y390 PolarHBondContact O-N 3.09Å; E387-Y390 VanDerWaalsContact O-N 3.14Å; E387-M391 WeakPolarHBondContact O-CG 3.34Å; E387-M391 PolarHBondContact O-N 3.16Å; E387-M391 VanDerWaalsContact O-N 3.08Å; E387-T627 HydrophobicContact CG-CG2 4.19Å; E387-F631 HydrophobicContact CG-CE2 4.39Å; E387-F631 HydrophobicContact CG-CZ 4.49Å
388	L	98.6	Very high	97.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-33	176	-60.8	-178.6	0	0	0	112.7	Y328 H384 S385 Y390 M391 L392 V399 L401 V413 V417	Y328-L388 HydrophobicContact CD1-CD2 4.09Å; Y328-L388 HydrophobicContact CE1-CD2 3.76Å; H384-L388 WeakPolarHBondContact O-CG 3.18Å; H384-L388 PolarHBondContact O-N 3.3Å; S385-L388 PolarHBondContact O-N 3.48Å; L388-Y390 VanDerWaalsContact C-N 3.31Å; L388-M391 PolarHBondContact O-N 3.29Å; L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 2.95Å; L388-V399 HydrophobicContact CD1-CG1 4.26Å; L388-V399 HydrophobicContact CD2-CG1 3.96Å; L388-V399 HydrophobicContact CG-CG1 4.49Å; L388-L401 HydrophobicContact CD1-CD2 3.41Å; L388-L401 VanDerWaalsContact CD1-CD2 3.41Å; L388-V413 HydrophobicContact CD1-CG1 3.55Å; L388-V417 HydrophobicContact CB-CG2 4.06Å; L388-V417 HydrophobicContact CD1-CG2 4.45Å
389	V	98.5	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-42.8	169.6	170	0	0	0	0	110.6	S385 A386 E387 M391 L392 E393 V417 M420 L421 V644 L646	S385-V389 WeakPolarHBondContact O-CG2 3.2Å; S385-V389 PolarHBondContact O-N 3.42Å; A386-V389 WeakPolarHBondContact O-CB 3.29Å; A386-V389 PolarHBondContact O-N 3.17Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 2.87Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.56Å; V389-L392 PolarHBondContact O-N 3.44Å; V389-E393 VanDerWaalsContact O-CB 3.27Å; V389-E393 WeakPolarHBondContact O-CB 3.27Å; V389-E393 PolarHBondContact O-N 3.4Å; V389-V417 HydrophobicContact CG2-CB 4.4Å; V389-V417 HydrophobicContact CG2-CG1 4.06Å; V389-V417 HydrophobicContact CG2-CG2 4.39Å; V389-M420 HydrophobicContact CG2-CB 3.8Å; V389-M420 HydrophobicContact CG2-SD 3.94Å; V389-L421 HydrophobicContact CG1-CD2 3.63Å; V389-L421 HydrophobicContact CG1-CG 4.05Å; V389-L421 HydrophobicContact CG2-CD1 4.23Å; V389-L421 HydrophobicContact CG2-CG 4.01Å; V389-V644 HydrophobicContact CG1-CG1 3.7Å; V389-L646 HydrophobicContact CB-CD2 3.93Å; V389-L646 HydrophobicContact CG1-CD2 3.54Å
390	Y	97.6	Very high	97.9	Very high	15 Å²	15	25.3 Å²	25.3	6%	0.059	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-42.3	174.4	167.9	-111.1	0	0	0	112.2	A386 E387 L388 L392 S394 K395 T627 Y630	A386-Y390 PolarHBondContact O-N 3.46Å; E387-Y390 VanDerWaalsContact O-CB 3.3Å; E387-Y390 WeakPolarHBondContact O-CB 3.23Å; E387-Y390 PolarHBondContact O-N 3.09Å; E387-Y390 VanDerWaalsContact O-N 3.14Å; L388-Y390 VanDerWaalsContact C-N 3.31Å; Y390-L392 PolarHBondContact O-N 3.34Å; Y390-S394 WeakPolarHBondContact O-CA 3.36Å; Y390-S394 WeakPolarHBondContact O-CB 3.37Å; Y390-S394 PolarHBondContact O-N 3.46Å; Y390-K395 HydrophobicContact CE1-CG 4.05Å; Y390-K395 PolarHBondContact O-N 3.47Å; Y390-K395 WeakPolarHBondContact OH-CE 3.46Å; Y390-K395 PolarHBondContact OH-NZ 3.24Å; Y390-T627 HydrophobicContact CD1-CG2 4.23Å; Y390-T627 WeakPolarHBondContact CE1-OG1 3.12Å; Y390-Y630 AromaticContact CD2-CD1 3.25Å; Y390-Y630 HydrophobicContact CD2-CD1 3.25Å; Y390-Y630 AromaticContact CD2-CD2 3.68Å; Y390-Y630 HydrophobicContact CD2-CD2 3.68Å; Y390-Y630 AromaticContact CD2-CE1 3.59Å; Y390-Y630 HydrophobicContact CD2-CE1 3.59Å; Y390-Y630 HydrophobicContact CD2-CE2 4Å; Y390-Y630 AromaticContact CD2-CG 3.27Å; Y390-Y630 HydrophobicContact CD2-CG 3.27Å; Y390-Y630 AromaticContact CD2-CZ 3.94Å; Y390-Y630 VanDerWaalsContact CE2-CB 3.49Å; Y390-Y630 AromaticContact CE2-CD1 3.9Å; Y390-Y630 HydrophobicContact CE2-CD1 3.9Å; Y390-Y630 AromaticContact CE2-CD2 3.71Å; Y390-Y630 HydrophobicContact CE2-CD2 3.71Å; Y390-Y630 HydrophobicContact CE2-CE2 4.39Å; Y390-Y630 AromaticContact CE2-CG 3.41Å; Y390-Y630 HydrophobicContact CE2-CG 3.41Å; Y390-Y630 VanDerWaalsContact CE2-CG 3.41Å; Y390-Y630 AromaticContact CG-CD1 3.91Å; Y390-Y630 HydrophobicContact CG-CD1 3.91Å; Y390-Y630 HydrophobicContact CG-CE1 4.19Å; Y390-Y630 HydrophobicContact CG-CG 4.29Å
391	M	98	Very high	97.9	Very high	21 Å²	21	23.8 Å²	23.8	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-43.2	176.3	-58.2	-48.8	-65.1	0	0	112.4	Y328 E387 L388 V389 K395 H396 L397 V399	Y328-M391 HydrophobicContact CD1-CG 4.17Å; Y328-M391 HydrophobicContact CD2-CE 3.82Å; Y328-M391 HydrophobicContact CE1-CG 4.38Å; Y328-M391 HydrophobicContact CE2-CE 4.27Å; Y328-M391 HydrophobicContact CG-CE 4.08Å; Y328-M391 HydrophobicContact CG-CG 4.35Å; E387-M391 WeakPolarHBondContact O-CG 3.34Å; E387-M391 PolarHBondContact O-N 3.16Å; E387-M391 VanDerWaalsContact O-N 3.08Å; L388-M391 PolarHBondContact O-N 3.29Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.56Å; M391-K395 HydrophobicContact CE-CB 4.27Å; M391-K395 HydrophobicContact CE-CG 4.13Å; M391-K395 CarbonylContact O-C 3.49Å; M391-K395 HydrophobicContact SD-CG 4.26Å; M391-H396 PolarHBondContact O-N 2.64Å; M391-L397 HydrophobicContact CE-CD1 3.51Å; M391-L397 HydrophobicContact CE-CG 4.39Å; M391-L397 PolarHBondContact O-N 2.81Å; M391-V399 HydrophobicContact CB-CG2 3.94Å
392	L	98.1	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.2	-47.9	-179.9	-69.7	162	0	0	0	112.8	N290 L388 V389 Y390 L397 V399 V417 L421	N290-L392 PolarHBondContact ND2-O 3.16Å; L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 2.95Å; V389-L392 PolarHBondContact O-N 3.44Å; Y390-L392 PolarHBondContact O-N 3.34Å; L392-L397 WeakPolarHBondContact CD2-O 3.45Å; L392-V399 HydrophobicContact CD1-CG2 4.43Å; L392-V399 HydrophobicContact CD2-CB 4.16Å; L392-V399 HydrophobicContact CD2-CG2 3.92Å; L392-V399 HydrophobicContact CG-CB 4.36Å; L392-V399 HydrophobicContact CG-CG2 3.78Å; L392-V417 HydrophobicContact CD1-CG1 3.52Å; L392-L421 HydrophobicContact CB-CD1 4.21Å; L392-L421 HydrophobicContact CD1-CD1 3.65Å
393	E	95.8	Very high	97.7	Very high	54 Å²	54	25.5 Å²	25.5	25%	0.252	12%	0.122	S	C	.	.	H	α-helix	trans	-81.1	-44.8	-172.7	172	66.2	174.6	0	0	112.3	H288 V389 H396 L421 V644	H288-E393 IonicContact CD2-OE2 2.86Å; H288-E393 IonicContact CE1-OE2 2.98Å; H288-E393 PolarHBondContact CE1-OE2 3.36Å; H288-E393 IonicContact ND1-OE2 2.66Å; H288-E393 IonicContact NE2-OE2 2.61Å; H288-E393 PolarHBondContact NE2-OE2 3.01Å; V389-E393 VanDerWaalsContact O-CB 3.27Å; V389-E393 WeakPolarHBondContact O-CB 3.27Å; V389-E393 PolarHBondContact O-N 3.4Å; E393-H396 PolarHBondContact O-CD2 2.76Å; E393-H396 PolarHBondContact O-NE2 3.47Å; E393-L421 HydrophobicContact CB-CD2 4.31Å; E393-V644 HydrophobicContact CG-CG2 4.33Å
394	S	95.1	Very high	97.5	Very high	48 Å²	48	26 Å²	26	34%	0.336	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-37.7	-168.4	-57.1	0	0	0	0	113.5	Y390 Y630	Y390-S394 WeakPolarHBondContact O-CA 3.36Å; Y390-S394 WeakPolarHBondContact O-CB 3.37Å; Y390-S394 PolarHBondContact O-N 3.46Å; S394-Y630 WeakPolarHBondContact OG-CE2 3.4Å; S394-Y630 VanDerWaalsContact OG-CZ 3.28Å; S394-Y630 PolarHBondContact OG-OH 3.19Å
395	K	96.4	Very high	97	Very high	86 Å²	86	28 Å²	28	37%	0.374	14%	0.135	S	C	.	.	S	Bend	trans	-88.7	-8.5	175.6	-60.4	-67.4	-165.5	-170.7	0	112.8	Y390 M391 L397 D626	Y390-K395 HydrophobicContact CE1-CG 4.05Å; Y390-K395 PolarHBondContact O-N 3.47Å; Y390-K395 WeakPolarHBondContact OH-CE 3.46Å; Y390-K395 PolarHBondContact OH-NZ 3.24Å; M391-K395 HydrophobicContact CE-CB 4.27Å; M391-K395 HydrophobicContact CE-CG 4.13Å; M391-K395 CarbonylContact O-C 3.49Å; M391-K395 HydrophobicContact SD-CG 4.26Å; K395-L397 HydrophobicContact CB-CD1 4.37Å; K395-L397 HydrophobicContact CB-CG 3.93Å; K395-L397 PolarHBondContact O-N 3.02Å; K395-D626 IonicContact NZ-OD2 2.73Å; K395-D626 PolarHBondContact NZ-OD2 2.83Å
396	H	97.2	Very high	96.5	Very high	71 Å²	71	28 Å²	28	33%	0.329	14%	0.136	S	C	.	.			trans	53.1	36	-177.4	-60.5	-173.4	0	0	0	112.7	N290 S292 S325 M391 E393	N290-H396 PolarHBondContact ND2-CD2 3.4Å; S292-H396 WeakPolarHBondContact OG-CA 3.48Å; S292-H396 PolarHBondContact OG-O 2.64Å; S292-H396 VanDerWaalsContact OG-O 3.1Å; S325-H396 WeakPolarHBondContact CB-O 3.36Å; S325-H396 PolarHBondContact OG-O 2.86Å; M391-H396 PolarHBondContact O-N 2.64Å; E393-H396 PolarHBondContact O-CD2 2.76Å; E393-H396 PolarHBondContact O-NE2 3.47Å
397	L	98.2	Very high	96.2	Very high	33 Å²	33	29.5 Å²	29.5	17%	0.173	14%	0.141	C	C	.	.			trans	-96.6	143.7	177.5	-59	-170.1	0	0	0	110.3	S292 S325 D326 M391 L392 K395	S292-L397 WeakPolarHBondContact CB-O 3.41Å; S292-L397 PolarHBondContact OG-N 3.37Å; S292-L397 PolarHBondContact OG-O 3.02Å; S325-L397 VanDerWaalsContact OG-CD2 3.3Å; S325-L397 WeakPolarHBondContact OG-CD2 3.47Å; D326-L397 HydrophobicContact CB-CD2 4.08Å; M391-L397 HydrophobicContact CE-CD1 3.51Å; M391-L397 HydrophobicContact CE-CG 4.39Å; M391-L397 PolarHBondContact O-N 2.81Å; L392-L397 WeakPolarHBondContact CD2-O 3.45Å; K395-L397 HydrophobicContact CB-CD1 4.37Å; K395-L397 HydrophobicContact CB-CG 3.93Å; K395-L397 PolarHBondContact O-N 3.02Å
398	S	98.4	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	141	166	-61.2	0	0	0	0	109.6	A293 D326 V327 Y328	A293-S398 PolarHBondContact N-OG 3.01Å; A293-S398 VanDerWaalsContact N-OG 3.09Å; A293-S398 CarbonylContact O-C 3.56Å; A293-S398 VanDerWaalsContact O-CA 3.26Å; A293-S398 WeakPolarHBondContact O-CA 3.37Å; A293-S398 WeakPolarHBondContact O-CB 3.1Å; D326-S398 PolarHBondContact O-N 3.09Å; V327-S398 CarbonylContact C-O 3.54Å; V327-S398 WeakPolarHBondContact CA-O 3.15Å; Y328-S398 PolarHBondContact N-O 3.3Å
399	V	98.7	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.7	-176.9	172.5	0	0	0	0	110.3	A293 L294 V295 Y328 L388 M391 L392 L401	A293-V399 PolarHBondContact O-N 2.98Å; L294-V399 WeakPolarHBondContact CA-O 3.34Å; L294-V399 HydrophobicContact CD1-CB 4.07Å; L294-V399 HydrophobicContact CD1-CG1 3.94Å; V295-V399 PolarHBondContact N-O 3.43Å; Y328-V399 HydrophobicContact CD1-CG2 4.38Å; Y328-V399 CarbonylContact O-C 3.52Å; Y328-V399 WeakPolarHBondContact O-CA 3.33Å; L388-V399 HydrophobicContact CD1-CG1 4.26Å; L388-V399 HydrophobicContact CD2-CG1 3.96Å; L388-V399 HydrophobicContact CG-CG1 4.49Å; M391-V399 HydrophobicContact CB-CG2 3.94Å; L392-V399 HydrophobicContact CD1-CG2 4.43Å; L392-V399 HydrophobicContact CD2-CB 4.16Å; L392-V399 HydrophobicContact CD2-CG2 3.92Å; L392-V399 HydrophobicContact CG-CB 4.36Å; L392-V399 HydrophobicContact CG-CG2 3.78Å; V399-L401 HydrophobicContact CG1-CD2 3.95Å
400	V	98.5	Very high	96.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.8	169.9	177.5	0	0	0	0	109.1	V295 M297 I317 V327 Y328 K329 S330 Q402	V295-V400 HydrophobicContact CB-CG2 4.14Å; V295-V400 CarbonylContact O-C 3.29Å; V295-V400 WeakPolarHBondContact O-CA 3.45Å; M297-V400 HydrophobicContact CB-CG1 3.69Å; M297-V400 HydrophobicContact SD-CG1 4.18Å; I317-V400 HydrophobicContact CD1-CG2 3.61Å; V327-V400 HydrophobicContact CG1-CB 4.33Å; V327-V400 HydrophobicContact CG1-CG2 3.46Å; V327-V400 VanDerWaalsContact CG1-CG2 3.46Å; Y328-V400 PolarHBondContact O-N 3.21Å; K329-V400 WeakPolarHBondContact CA-O 3.5Å; K329-V400 HydrophobicContact CG-CB 4.17Å; S330-V400 PolarHBondContact N-O 3.18Å; V400-Q402 HydrophobicContact CG1-CG 4Å
401	L	98.5	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.3	170.9	-54.3	-177.8	0	0	0	108.9	L294 V295 R296 M297 L332 L388 V399 V413 A414	L294-L401 HydrophobicContact CD1-CD1 4.14Å; L294-L401 HydrophobicContact CD1-CD2 4.31Å; L294-L401 HydrophobicContact CD1-CG 4.02Å; V295-L401 PolarHBondContact O-N 2.86Å; R296-L401 HydrophobicContact CG-CB 4.29Å; R296-L401 HydrophobicContact CG-CD1 4.13Å; M297-L401 PolarHBondContact N-O 3.36Å; L332-L401 HydrophobicContact CD1-CB 4.11Å; L332-L401 HydrophobicContact CD2-CD2 4.35Å; L388-L401 HydrophobicContact CD1-CD2 3.41Å; L388-L401 VanDerWaalsContact CD1-CD2 3.41Å; V399-L401 HydrophobicContact CG1-CD2 3.95Å; L401-V413 HydrophobicContact CD1-CB 4.15Å; L401-V413 HydrophobicContact CD1-CG1 4.02Å; L401-V413 HydrophobicContact CD2-CG1 3.92Å; L401-A414 HydrophobicContact CD1-CB 3.8Å
402	Q	97.1	Very high	96.1	Very high	29 Å²	29	25.8 Å²	25.8	14%	0.136	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.1	175.1	-64.1	-171.6	-49.4	0	0	110	M297 S330 L332 V400	M297-Q402 WeakPolarHBondContact O-CA 3.25Å; S330-Q402 PolarHBondContact O-N 3.26Å; L332-Q402 WeakPolarHBondContact CB-O 3.42Å; L332-Q402 WeakPolarHBondContact CG-O 3.48Å; L332-Q402 PolarHBondContact N-O 3.46Å; V400-Q402 HydrophobicContact CG1-CG 4Å
403	E	95.7	Very high	96.2	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145.9	178.8	174.4	-168.6	176.2	0	0	107.2	M297 A298 L299 D333 E405 G406 R407 D408 L409 S410	M297-E403 PolarHBondContact O-N 3.02Å; A298-E403 VanDerWaalsContact CA-O 3.29Å; A298-E403 WeakPolarHBondContact CA-O 3.3Å; L299-E403 PolarHBondContact N-O 2.97Å; D333-E403 VanDerWaalsContact OD2-CA 3.3Å; D333-E403 WeakPolarHBondContact OD2-CA 3.36Å; E403-E405 PolarHBondContact O-N 2.62Å; E403-G406 PolarHBondContact O-N 3.41Å; E403-G406 WeakPolarHBondContact OE2-CA 3.45Å; E403-R407 PolarHBondContact OE2-N 2.86Å; E403-D408 WeakPolarHBondContact OE1-CA 3.44Å; E403-D408 WeakPolarHBondContact OE1-CB 3.34Å; E403-D408 PolarHBondContact OE1-N 3.24Å; E403-D408 PolarHBondContact OE2-N 3.26Å; E403-L409 VanDerWaalsContact CD-N 3.33Å; E403-L409 HydrophobicContact CG-CB 4.47Å; E403-L409 PolarHBondContact OE1-N 2.82Å; E403-L409 PolarHBondContact OE2-N 2.94Å; E403-S410 WeakPolarHBondContact OE2-CB 3.4Å; E403-S410 PolarHBondContact OE2-N 2.84Å; E403-S410 PolarHBondContact OE2-OG 2.82Å
404	E	93.4	Very high	96.3	Very high	116 Å²	116	23.2 Å²	23.2	54%	0.542	11%	0.113	S	C	.	.	S	Bend	trans	-46.4	-61.9	-175.5	-174	179.6	178.9	0	0	112.9	V277 L299 D333	V277-E404 WeakPolarHBondContact CB-O 3.48Å; L299-E404 HydrophobicContact CD1-CB 4.12Å; L299-E404 HydrophobicContact CD1-CG 4.29Å; L299-E404 PolarHBondContact N-O 3.42Å; D333-E404 PolarHBondContact OD2-N 2.92Å
405	E	88.6	Confident	96.5	Very high	50 Å²	50	20.9 Å²	20.9	23%	0.234	10%	0.097	C	C	.	.	S	Bend	trans	-93.4	-17.4	176.1	-63.7	-170.2	-175.4	0	0	112.8	V277 R280 E403 R407	V277-E405 HydrophobicContact CG1-CG 4.17Å; R280-E405 WeakPolarHBondContact CD-O 3.1Å; R280-E405 PolarHBondContact NE-O 3.31Å; R280-E405 VanDerWaalsContact NE-O 3.15Å; E403-E405 PolarHBondContact O-N 2.62Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.4Å; E405-R407 IonicContact OE2-CZ 2.71Å; E405-R407 VanDerWaalsContact OE2-CZ 3.29Å; E405-R407 IonicContact OE2-NE 3.15Å; E405-R407 PolarHBondContact OE2-NE 3.45Å; E405-R407 VanDerWaalsContact OE2-NE 3.11Å; E405-R407 IonicContact OE2-NH2 2.76Å; E405-R407 PolarHBondContact OE2-NH2 2.91Å
406	G	88.7	Confident	96.6	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	8%	0.079	C	C	.	.	S	Bend	trans	60.7	39.6	-176.7	0	0	0	0	0	113.6	R280 E403	R280-G406 PolarHBondContact NE-O 3.42Å; R280-G406 PolarHBondContact NH2-O 3.42Å; E403-G406 PolarHBondContact O-N 3.41Å; E403-G406 WeakPolarHBondContact OE2-CA 3.45Å
407	R	91.9	Very high	96.7	Very high	32 Å²	32	13.4 Å²	13.4	12%	0.121	6%	0.063	C	C	.	.	S	Bend	trans	-130.2	-15.4	-174.1	-71.5	-163.1	-67	175	0.5	114.9	R280 E403 E405 C411 G443 Y444	R280-R407 VanDerWaalsContact CZ-CG 3.49Å; E403-R407 PolarHBondContact OE2-N 2.86Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.4Å; E405-R407 IonicContact OE2-CZ 2.71Å; E405-R407 VanDerWaalsContact OE2-CZ 3.29Å; E405-R407 IonicContact OE2-NE 3.15Å; E405-R407 PolarHBondContact OE2-NE 3.45Å; E405-R407 VanDerWaalsContact OE2-NE 3.11Å; E405-R407 IonicContact OE2-NH2 2.76Å; E405-R407 PolarHBondContact OE2-NH2 2.91Å; R407-C411 PolarHBondContact O-SG 2.62Å; R407-G443 WeakPolarHBondContact CD-O 3.37Å; R407-Y444 VanDerWaalsContact O-CD2 3.25Å; R407-Y444 WeakPolarHBondContact O-CD2 3.32Å
408	D	96	Very high	96.7	Very high	8 Å²	8	11.9 Å²	11.9	4%	0.043	6%	0.055	C	C	.	.	S	Bend	trans	-118	-80.6	-175.2	-66.2	-64.2	0	0	0	110.8	I339 E403 S410 C411 Y444 R449 L462	I339-D408 HydrophobicContact CG2-CB 3.69Å; E403-D408 WeakPolarHBondContact OE1-CA 3.44Å; E403-D408 WeakPolarHBondContact OE1-CB 3.34Å; E403-D408 PolarHBondContact OE1-N 3.24Å; E403-D408 PolarHBondContact OE2-N 3.26Å; D408-S410 VanDerWaalsContact C-N 3.31Å; D408-S410 PolarHBondContact O-N 3.03Å; D408-C411 VanDerWaalsContact O-CB 3.31Å; D408-C411 WeakPolarHBondContact O-CB 3.38Å; D408-C411 PolarHBondContact O-N 2.8Å; D408-C411 VanDerWaalsContact O-N 3.08Å; D408-Y444 WeakPolarHBondContact OD1-CE2 3.34Å; D408-R449 IonicContact OD1-CZ 2.67Å; D408-R449 IonicContact OD1-NE 3.06Å; D408-R449 PolarHBondContact OD1-NE 2.62Å; D408-R449 IonicContact OD1-NH2 2.95Å; D408-R449 PolarHBondContact OD1-NH2 3.03Å; D408-R449 IonicContact OD2-CZ 3.27Å; D408-R449 IonicContact OD2-NE 3.79Å; D408-R449 PolarHBondContact OD2-NE 3.32Å; D408-R449 IonicContact OD2-NH2 3.97Å; D408-R449 PolarHBondContact OD2-NH2 3.04Å; D408-L462 VanDerWaalsContact C-CD2 3.4Å; D408-L462 HydrophobicContact CB-CD2 3.82Å; D408-L462 WeakPolarHBondContact O-CD2 3.27Å
409	L	98.3	Very high	96.7	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-60.7	-41.9	-170.5	-55	-172.3	0	0	0	111.8	L332 L336 I339 F381 E403 C411 C412 V413 L462	L332-L409 HydrophobicContact CB-CB 4.18Å; L332-L409 HydrophobicContact CB-CD1 4.25Å; L332-L409 HydrophobicContact CD1-CB 4.02Å; L336-L409 HydrophobicContact CB-CD1 4.38Å; I339-L409 HydrophobicContact CG2-CD2 4.38Å; F381-L409 HydrophobicContact CE1-CD2 4.3Å; F381-L409 HydrophobicContact CZ-CD2 3.88Å; E403-L409 VanDerWaalsContact CD-N 3.33Å; E403-L409 HydrophobicContact CG-CB 4.47Å; E403-L409 PolarHBondContact OE1-N 2.82Å; E403-L409 PolarHBondContact OE2-N 2.94Å; L409-C411 VanDerWaalsContact C-N 3.26Å; L409-C411 PolarHBondContact O-N 2.94Å; L409-C412 PolarHBondContact O-N 3.12Å; L409-C412 VanDerWaalsContact O-N 3.15Å; L409-V413 PolarHBondContact O-N 3.39Å; L409-L462 HydrophobicContact CD2-CD1 4.31Å; L409-L462 HydrophobicContact CD2-CD2 4.02Å
410	S	97.7	Very high	96.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.5	-30.2	179.7	61.4	0	0	0	0	112.9	L332 E403 D408 A414	L332-S410 VanDerWaalsContact CD1-CA 3.42Å; E403-S410 WeakPolarHBondContact OE2-CB 3.4Å; E403-S410 PolarHBondContact OE2-N 2.84Å; E403-S410 PolarHBondContact OE2-OG 2.82Å; D408-S410 VanDerWaalsContact C-N 3.31Å; D408-S410 PolarHBondContact O-N 3.03Å; S410-A414 WeakPolarHBondContact O-CB 3.48Å; S410-A414 PolarHBondContact O-N 2.94Å
411	C	97.8	Very high	96.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.1	-45.1	173.9	-58.8	0	0	0	0	111.1	R296 R407 D408 L409 S415 E438 W439	R296-C411 PolarHBondContact NH1-SG 3.07Å; R407-C411 PolarHBondContact O-SG 2.62Å; D408-C411 VanDerWaalsContact O-CB 3.31Å; D408-C411 WeakPolarHBondContact O-CB 3.38Å; D408-C411 PolarHBondContact O-N 2.8Å; D408-C411 VanDerWaalsContact O-N 3.08Å; L409-C411 VanDerWaalsContact C-N 3.26Å; L409-C411 PolarHBondContact O-N 2.94Å; C411-S415 VanDerWaalsContact O-CB 3.27Å; C411-S415 WeakPolarHBondContact O-CB 3.25Å; C411-S415 PolarHBondContact O-N 3.2Å; C411-S415 VanDerWaalsContact O-N 3.12Å; C411-S415 PolarHBondContact O-OG 3.35Å; C411-E438 PolarHBondContact SG-O 2.96Å; C411-E438 VanDerWaalsContact SG-O 3.39Å; C411-W439 HydrophobicContact CB-CD2 4.09Å; C411-W439 HydrophobicContact CB-CE3 4.16Å; C411-W439 HydrophobicContact CB-CZ2 4.45Å; C411-W439 HydrophobicContact CB-CZ3 4.37Å
412	C	98.5	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-53.9	178.7	-174.4	0	0	0	0	111.4	F381 L409 A414 S415 L416 W439 L462	F381-C412 HydrophobicContact CD1-CB 4.11Å; F381-C412 VanDerWaalsContact CD1-SG 3.55Å; F381-C412 HydrophobicContact CE1-CB 3.98Å; L409-C412 PolarHBondContact O-N 3.12Å; L409-C412 VanDerWaalsContact O-N 3.15Å; C412-A414 PolarHBondContact O-N 3.43Å; C412-S415 PolarHBondContact O-N 2.84Å; C412-L416 WeakPolarHBondContact O-CG 3.45Å; C412-L416 PolarHBondContact O-N 2.53Å; C412-W439 HydrophobicContact CB-CH2 3.99Å; C412-W439 HydrophobicContact CB-CZ2 4.16Å; C412-L462 HydrophobicContact CB-CD1 4.41Å; C412-L462 HydrophobicContact CB-CG 4.37Å
413	V	98.8	Very high	96.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.8	-45.1	-178.4	176.9	0	0	0	0	111	L332 L336 F381 L388 L401 L409 S415 L416 V417	L332-V413 HydrophobicContact CD1-CB 4.38Å; L332-V413 HydrophobicContact CD1-CG2 4.2Å; L332-V413 HydrophobicContact CD2-CG2 4.16Å; L336-V413 HydrophobicContact CD1-CG2 3.47Å; L336-V413 VanDerWaalsContact CD1-CG2 3.47Å; F381-V413 HydrophobicContact CD1-CG2 4.08Å; F381-V413 HydrophobicContact CE1-CG2 4.39Å; L388-V413 HydrophobicContact CD1-CG1 3.55Å; L401-V413 HydrophobicContact CD1-CB 4.15Å; L401-V413 HydrophobicContact CD1-CG1 4.02Å; L401-V413 HydrophobicContact CD2-CG1 3.92Å; L409-V413 PolarHBondContact O-N 3.39Å; V413-S415 VanDerWaalsContact C-N 3.25Å; V413-S415 PolarHBondContact O-N 2.89Å; V413-L416 PolarHBondContact O-N 2.93Å; V413-V417 HydrophobicContact CG1-CG2 4.28Å; V413-V417 WeakPolarHBondContact O-CB 3.21Å; V413-V417 VanDerWaalsContact O-CG2 3.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.27Å; V413-V417 PolarHBondContact O-N 2.95Å
414	A	98.7	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-36.5	178.8	0	0	0	0	0	112.6	L294 R296 L401 S410 C412 Q418	L294-A414 HydrophobicContact CD2-CB 4.11Å; R296-A414 HydrophobicContact CG-CB 4.4Å; L401-A414 HydrophobicContact CD1-CB 3.8Å; S410-A414 WeakPolarHBondContact O-CB 3.48Å; S410-A414 PolarHBondContact O-N 2.94Å; C412-A414 PolarHBondContact O-N 3.43Å; A414-Q418 WeakPolarHBondContact O-CB 3.48Å; A414-Q418 VanDerWaalsContact O-CG 3.3Å; A414-Q418 WeakPolarHBondContact O-CG 3.25Å; A414-Q418 PolarHBondContact O-N 3.25Å; A414-Q418 PolarHBondContact O-NE2 3.3Å; A414-Q418 VanDerWaalsContact O-NE2 3.12Å
415	S	98.9	Very high	96.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.9	-44.4	177.8	-59.2	0	0	0	0	111.8	C411 C412 V413 Q418 V419 W439	C411-S415 VanDerWaalsContact O-CB 3.27Å; C411-S415 WeakPolarHBondContact O-CB 3.25Å; C411-S415 PolarHBondContact O-N 3.2Å; C411-S415 VanDerWaalsContact O-N 3.12Å; C411-S415 PolarHBondContact O-OG 3.35Å; C412-S415 PolarHBondContact O-N 2.84Å; V413-S415 VanDerWaalsContact C-N 3.25Å; V413-S415 PolarHBondContact O-N 2.89Å; S415-Q418 PolarHBondContact O-N 2.78Å; S415-V419 WeakPolarHBondContact O-CG2 3.4Å; S415-V419 PolarHBondContact O-N 2.93Å; S415-W439 PolarHBondContact OG-NE1 2.82Å
416	L	98.9	Very high	97.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.5	-45.1	178.4	-71.6	175.3	0	0	0	112.2	F381 L382 S385 C412 V413 Q418 V419 M420 F466 A469	F381-L416 HydrophobicContact CB-CD1 4.13Å; L382-L416 HydrophobicContact CD2-CD2 4.38Å; S385-L416 WeakPolarHBondContact OG-CB 3.42Å; C412-L416 WeakPolarHBondContact O-CG 3.45Å; C412-L416 PolarHBondContact O-N 2.53Å; V413-L416 PolarHBondContact O-N 2.93Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 3.42Å; L416-V419 PolarHBondContact O-N 3Å; L416-M420 HydrophobicContact CB-CE 4.4Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.36Å; L416-M420 PolarHBondContact O-N 3.12Å; L416-F466 HydrophobicContact CD2-CD2 3.94Å; L416-F466 HydrophobicContact CD2-CE2 4.14Å; L416-F466 HydrophobicContact CG-CD2 4.08Å; L416-F466 HydrophobicContact CG-CE2 4.44Å; L416-A469 HydrophobicContact CD1-CB 3.98Å; L416-A469 HydrophobicContact CD2-CB 3.72Å; L416-A469 HydrophobicContact CG-CB 4.49Å
417	V	98.9	Very high	97.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-56.6	-44.7	174.2	170.4	0	0	0	0	110.7	L294 L388 V389 L392 V413 M420 L421	L294-V417 HydrophobicContact CD2-CB 4.09Å; L294-V417 HydrophobicContact CD2-CG1 3.83Å; L388-V417 HydrophobicContact CB-CG2 4.06Å; L388-V417 HydrophobicContact CD1-CG2 4.45Å; V389-V417 HydrophobicContact CG2-CB 4.4Å; V389-V417 HydrophobicContact CG2-CG1 4.06Å; V389-V417 HydrophobicContact CG2-CG2 4.39Å; L392-V417 HydrophobicContact CD1-CG1 3.52Å; V413-V417 HydrophobicContact CG1-CG2 4.28Å; V413-V417 WeakPolarHBondContact O-CB 3.21Å; V413-V417 VanDerWaalsContact O-CG2 3.29Å; V413-V417 WeakPolarHBondContact O-CG2 3.27Å; V413-V417 PolarHBondContact O-N 2.95Å; V417-M420 PolarHBondContact O-N 3.35Å; V417-L421 HydrophobicContact CG1-CD1 3.67Å; V417-L421 WeakPolarHBondContact O-CB 3.12Å; V417-L421 WeakPolarHBondContact O-CG 3.18Å; V417-L421 PolarHBondContact O-N 2.94Å
418	Q	98.8	Very high	97.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64.9	-42.6	177.5	-82.7	179.9	86	0	0	112.8	W286 L294 A414 S415 L416 M420 L421 D422 F425 L434 E438	W286-Q418 HydrophobicContact CB-CG 3.75Å; W286-Q418 HydrophobicContact CD2-CG 4.44Å; W286-Q418 HydrophobicContact CG-CG 3.88Å; L294-Q418 HydrophobicContact CD2-CG 4.35Å; A414-Q418 WeakPolarHBondContact O-CB 3.48Å; A414-Q418 VanDerWaalsContact O-CG 3.3Å; A414-Q418 WeakPolarHBondContact O-CG 3.25Å; A414-Q418 PolarHBondContact O-N 3.25Å; A414-Q418 PolarHBondContact O-NE2 3.3Å; A414-Q418 VanDerWaalsContact O-NE2 3.12Å; S415-Q418 PolarHBondContact O-N 2.78Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 3.42Å; Q418-M420 VanDerWaalsContact C-N 3.29Å; Q418-M420 PolarHBondContact O-N 3.42Å; Q418-L421 PolarHBondContact O-N 3.05Å; Q418-D422 WeakPolarHBondContact O-CB 3.46Å; Q418-D422 PolarHBondContact O-N 3.38Å; Q418-F425 HydrophobicContact CB-CD2 3.61Å; Q418-F425 HydrophobicContact CB-CE2 3.7Å; Q418-F425 HydrophobicContact CG-CD2 4.32Å; Q418-F425 HydrophobicContact CG-CE2 3.89Å; Q418-F425 VanDerWaalsContact OE1-CZ 3.26Å; Q418-L434 HydrophobicContact CB-CD1 3.84Å; Q418-L434 HydrophobicContact CG-CD1 4.33Å; Q418-E438 VanDerWaalsContact NE2-CD 3.29Å; Q418-E438 PolarHBondContact NE2-OE1 3.06Å
419	V	98.8	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.5	-38	174.3	171.2	0	0	0	0	111.5	S415 L416 F425 R426 F431 L434 L473 F481	S415-V419 WeakPolarHBondContact O-CG2 3.4Å; S415-V419 PolarHBondContact O-N 2.93Å; L416-V419 PolarHBondContact O-N 3Å; V419-F425 HydrophobicContact CG2-CB 4.35Å; V419-R426 HydrophobicContact CG1-CG 4.43Å; V419-R426 PolarHBondContact O-NE 3.08Å; V419-R426 PolarHBondContact O-NH2 2.98Å; V419-F431 HydrophobicContact CG2-CD2 4.33Å; V419-F431 HydrophobicContact CG2-CE2 4.25Å; V419-L434 HydrophobicContact CG2-CD2 3.61Å; V419-L473 HydrophobicContact CG1-CD1 3.87Å; V419-F481 HydrophobicContact CG1-CE1 3.66Å; V419-F481 HydrophobicContact CG1-CZ 3.76Å
420	M	98.6	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.9	-36.8	178.2	-72	178.8	-159.8	0	0	112.9	L382 A386 V389 L416 V417 Q418 R426 L473 V644 I645 P647	L382-M420 HydrophobicContact CD2-CE 3.73Å; A386-M420 HydrophobicContact CB-SD 4.36Å; V389-M420 HydrophobicContact CG2-CB 3.8Å; V389-M420 HydrophobicContact CG2-SD 3.94Å; L416-M420 HydrophobicContact CB-CE 4.4Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.36Å; L416-M420 PolarHBondContact O-N 3.12Å; V417-M420 PolarHBondContact O-N 3.35Å; Q418-M420 VanDerWaalsContact C-N 3.29Å; Q418-M420 PolarHBondContact O-N 3.42Å; M420-R426 PolarHBondContact O-NH2 3.29Å; M420-L473 HydrophobicContact CE-CD1 4.11Å; M420-L473 HydrophobicContact CE-CD2 4.31Å; M420-L473 HydrophobicContact CG-CD1 4.07Å; M420-L473 HydrophobicContact CG-CD2 4.48Å; M420-V644 CarbonylContact O-C 3.54Å; M420-V644 VanDerWaalsContact O-CA 3.28Å; M420-V644 WeakPolarHBondContact O-CA 3.28Å; M420-I645 VanDerWaalsContact CB-O 3.29Å; M420-I645 WeakPolarHBondContact CB-O 3.43Å; M420-I645 WeakPolarHBondContact CG-O 3.22Å; M420-I645 PolarHBondContact O-N 3.29Å; M420-P647 HydrophobicContact CE-CG 3.69Å; M420-P647 HydrophobicContact SD-CG 4.36Å
421	L	98.2	Very high	97.9	Very high	9 Å²	9	7.8 Å²	7.8	5%	0.047	4%	0.042	C	C	.	.	H	α-helix	trans	-91.3	-37.5	-175.2	-74.9	169.9	0	0	0	114.2	W286 V389 L392 E393 V417 Q418 V644	W286-L421 HydrophobicContact CE3-CD1 4.38Å; W286-L421 HydrophobicContact CH2-CB 3.74Å; W286-L421 HydrophobicContact CH2-CD1 4.12Å; W286-L421 HydrophobicContact CH2-CG 4.45Å; W286-L421 HydrophobicContact CZ2-CB 4.32Å; W286-L421 HydrophobicContact CZ3-CB 4.09Å; W286-L421 HydrophobicContact CZ3-CD1 3.62Å; W286-L421 HydrophobicContact CZ3-CG 4.43Å; V389-L421 HydrophobicContact CG1-CD2 3.63Å; V389-L421 HydrophobicContact CG1-CG 4.05Å; V389-L421 HydrophobicContact CG2-CD1 4.23Å; V389-L421 HydrophobicContact CG2-CG 4.01Å; L392-L421 HydrophobicContact CB-CD1 4.21Å; L392-L421 HydrophobicContact CD1-CD1 3.65Å; E393-L421 HydrophobicContact CB-CD2 4.31Å; V417-L421 HydrophobicContact CG1-CD1 3.67Å; V417-L421 WeakPolarHBondContact O-CB 3.12Å; V417-L421 WeakPolarHBondContact O-CG 3.18Å; V417-L421 PolarHBondContact O-N 2.94Å; Q418-L421 PolarHBondContact O-N 3.05Å; L421-V644 HydrophobicContact CD2-CB 4.46Å; L421-V644 HydrophobicContact CD2-CG1 4.06Å; L421-V644 HydrophobicContact CD2-CG2 3.62Å
422	D	97.3	Very high	97.9	Very high	17 Å²	17	8.2 Å²	8.2	9%	0.091	4%	0.043	C	C	.	.			trans	-116	108.3	-167.8	-170.9	-13.5	0	0	0	111.7	R233 W286 Q418 Y424 F425	R233-D422 IonicContact CZ-OD2 3.79Å; R233-D422 VanDerWaalsContact CZ-OD2 3.23Å; R233-D422 IonicContact NH1-OD1 3.31Å; R233-D422 IonicContact NH1-OD2 2.65Å; R233-D422 PolarHBondContact NH1-OD2 2.76Å; R233-D422 IonicContact NH2-OD2 2.82Å; R233-D422 PolarHBondContact NH2-OD2 3.26Å; W286-D422 HydrophobicContact CZ2-CB 3.9Å; W286-D422 PolarHBondContact NE1-OD2 2.9Å; Q418-D422 WeakPolarHBondContact O-CB 3.46Å; Q418-D422 PolarHBondContact O-N 3.38Å; D422-Y424 PolarHBondContact O-N 3.43Å; D422-Y424 WeakPolarHBondContact OD1-CB 3.21Å; D422-Y424 PolarHBondContact OD1-N 3.13Å; D422-F425 HydrophobicContact CB-CD2 3.66Å; D422-F425 HydrophobicContact CB-CE2 3.95Å; D422-F425 PolarHBondContact O-N 3.32Å
423	P	96.4	Very high	97.9	Very high	18 Å²	18	8.2 Å²	8.2	12%	0.117	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.1	178.7	-20.6	28.9	0	0	0	114.1	F425 R426 H642	P423-F425 PolarHBondContact O-N 2.98Å; P423-R426 PolarHBondContact O-N 3.44Å; P423-R426 VanDerWaalsContact O-N 3.13Å; P423-H642 VanDerWaalsContact CG-C 3.43Å; P423-H642 WeakPolarHBondContact CG-O 3.42Å
424	Y	95.9	Very high	97.9	Very high	47 Å²	47	8.2 Å²	8.2	18%	0.184	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-57	-42.8	174.1	172.9	-114.5	0	0	0	110.7	D422 R426 T427 G430	D422-Y424 PolarHBondContact O-N 3.43Å; D422-Y424 WeakPolarHBondContact OD1-CB 3.21Å; D422-Y424 PolarHBondContact OD1-N 3.13Å; Y424-R426 PolarHBondContact O-N 2.66Å; Y424-R426 VanDerWaalsContact O-N 3.13Å; Y424-T427 WeakPolarHBondContact O-CB 3.18Å; Y424-T427 PolarHBondContact O-N 3.45Å; Y424-T427 PolarHBondContact O-OG1 3.05Å; Y424-G430 VanDerWaalsContact CZ-CA 3.46Å; Y424-G430 WeakPolarHBondContact O-CA 3.24Å
425	F	98	Very high	97.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-74	-1.4	-179.6	-57.8	-51.4	0	0	0	114.4	W286 Q418 V419 D422 P423 G430 F431 L434	W286-F425 AromaticContact CD1-CE2 3.77Å; W286-F425 AromaticContact NE1-CE2 3.96Å; Q418-F425 HydrophobicContact CB-CD2 3.61Å; Q418-F425 HydrophobicContact CB-CE2 3.7Å; Q418-F425 HydrophobicContact CG-CD2 4.32Å; Q418-F425 HydrophobicContact CG-CE2 3.89Å; Q418-F425 VanDerWaalsContact OE1-CZ 3.26Å; V419-F425 HydrophobicContact CG2-CB 4.35Å; D422-F425 HydrophobicContact CB-CD2 3.66Å; D422-F425 HydrophobicContact CB-CE2 3.95Å; D422-F425 PolarHBondContact O-N 3.32Å; P423-F425 PolarHBondContact O-N 2.98Å; F425-G430 WeakPolarHBondContact CD1-O 3.26Å; F425-F431 WeakPolarHBondContact O-CB 3.41Å; F425-F431 WeakPolarHBondContact O-CD2 3.07Å; F425-L434 HydrophobicContact CB-CD2 4.12Å; F425-L434 HydrophobicContact CD1-CB 3.64Å; F425-L434 HydrophobicContact CD1-CD1 4.17Å; F425-L434 HydrophobicContact CD1-CG 4.34Å; F425-L434 HydrophobicContact CD2-CD1 4.28Å; F425-L434 HydrophobicContact CE1-CB 4Å; F425-L434 HydrophobicContact CE1-CD1 4.12Å; F425-L434 HydrophobicContact CE2-CD1 4.26Å; F425-L434 HydrophobicContact CG-CB 4.18Å; F425-L434 HydrophobicContact CG-CD1 4.23Å; F425-L434 HydrophobicContact CG-CD2 4.24Å; F425-L434 HydrophobicContact CG-CG 4.47Å; F425-L434 HydrophobicContact CZ-CD1 4.16Å
426	R	97.5	Very high	97.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-93.7	-3.9	169.7	-51.3	-177.8	-162.6	142.1	8.7	112.8	V419 M420 P423 Y424 A480 F481 E482 L641 G643	V419-R426 HydrophobicContact CG1-CG 4.43Å; V419-R426 PolarHBondContact O-NE 3.08Å; V419-R426 PolarHBondContact O-NH2 2.98Å; M420-R426 PolarHBondContact O-NH2 3.29Å; P423-R426 PolarHBondContact O-N 3.44Å; P423-R426 VanDerWaalsContact O-N 3.13Å; Y424-R426 PolarHBondContact O-N 2.66Å; Y424-R426 VanDerWaalsContact O-N 3.13Å; R426-A480 VanDerWaalsContact CB-O 3.28Å; R426-A480 WeakPolarHBondContact CB-O 3.15Å; R426-A480 WeakPolarHBondContact CD-O 3.29Å; R426-F481 HydrophobicContact CB-CD1 3.72Å; R426-F481 HydrophobicContact CB-CE1 4.03Å; R426-F481 HydrophobicContact CB-CG 4.22Å; R426-F481 HydrophobicContact CG-CD1 3.95Å; R426-F481 HydrophobicContact CG-CE1 3.73Å; R426-F481 HydrophobicContact CG-CZ 4.13Å; R426-E482 PolarHBondContact O-N 3.21Å; R426-L641 PolarHBondContact NH1-O 3.11Å; R426-G643 PolarHBondContact NH1-O 3.44Å; R426-G643 PolarHBondContact NH2-O 3.28Å
427	T	96	Very high	97.8	Very high	24 Å²	24	8.3 Å²	8.3	15%	0.147	4%	0.044	C	C	.	.	S	Bend	trans	-83.9	158.4	168.6	70.2	0	0	0	0	110.4	Y424 G430 F431 E482	Y424-T427 WeakPolarHBondContact O-CB 3.18Å; Y424-T427 PolarHBondContact O-N 3.45Å; Y424-T427 PolarHBondContact O-OG1 3.05Å; T427-G430 PolarHBondContact O-N 3.15Å; T427-G430 WeakPolarHBondContact OG1-CA 3.46Å; T427-G430 PolarHBondContact OG1-N 3.19Å; T427-F431 VanDerWaalsContact O-CB 3.27Å; T427-F431 WeakPolarHBondContact O-CB 3.11Å; T427-F431 PolarHBondContact O-N 3.31Å; T427-E482 WeakPolarHBondContact CA-OE2 3.33Å; T427-E482 WeakPolarHBondContact CB-OE2 3.5Å
428	I	96.9	Very high	97.8	Very high	15 Å²	15	8.4 Å²	8.4	8%	0.077	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-53.2	176.5	-71.7	169.7	0	0	0	110.1	G430 F431 Q432 E482 F483 Y487 F552 H553	I428-G430 VanDerWaalsContact C-N 3.34Å; I428-G430 PolarHBondContact O-N 3.05Å; I428-F431 PolarHBondContact O-N 3.49Å; I428-Q432 VanDerWaalsContact O-CG 3.23Å; I428-Q432 WeakPolarHBondContact O-CG 3.42Å; I428-Q432 PolarHBondContact O-N 2.73Å; I428-E482 HydrophobicContact CD1-CG 4.35Å; I428-E482 HydrophobicContact CG1-CG 4.27Å; I428-E482 PolarHBondContact N-OE2 3.25Å; I428-F483 HydrophobicContact CG1-CB 3.77Å; I428-Y487 HydrophobicContact CG2-CE2 4.47Å; I428-F552 HydrophobicContact CD1-CB 4.21Å; I428-H553 VanDerWaalsContact CD1-CE1 3.42Å; I428-H553 WeakPolarHBondContact CD1-CE1 3.41Å
429	T	96.4	Very high	97.7	Very high	34 Å²	34	8.4 Å²	8.4	21%	0.209	4%	0.044	C	C	.	.	H	α-helix	trans	-62.4	-41.6	-179.3	-58.5	0	0	0	0	111.8	Q216 Q432 S433	Q216-T429 HydrophobicContact CB-CG2 4.42Å; Q216-T429 WeakPolarHBondContact O-CG2 3.36Å; T429-Q432 PolarHBondContact O-N 3.14Å; T429-S433 VanDerWaalsContact O-CB 3.29Å; T429-S433 WeakPolarHBondContact O-CB 3.43Å; T429-S433 PolarHBondContact O-N 2.97Å
430	G	97.4	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.2	-43.8	178.1	0	0	0	0	0	112.4	Y424 F425 T427 I428 Q432 S433 L434	Y424-G430 VanDerWaalsContact CZ-CA 3.46Å; Y424-G430 WeakPolarHBondContact O-CA 3.24Å; F425-G430 WeakPolarHBondContact CD1-O 3.26Å; T427-G430 PolarHBondContact O-N 3.15Å; T427-G430 WeakPolarHBondContact OG1-CA 3.46Å; T427-G430 PolarHBondContact OG1-N 3.19Å; I428-G430 VanDerWaalsContact C-N 3.34Å; I428-G430 PolarHBondContact O-N 3.05Å; G430-Q432 VanDerWaalsContact C-N 3.32Å; G430-Q432 PolarHBondContact O-N 2.91Å; G430-S433 CarbonylContact O-C 3.22Å; G430-S433 VanDerWaalsContact O-CB 3.31Å; G430-S433 WeakPolarHBondContact O-CB 3.39Å; G430-S433 PolarHBondContact O-N 2.72Å; G430-S433 VanDerWaalsContact O-N 3.16Å; G430-L434 PolarHBondContact O-N 2.7Å
431	F	98.6	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.8	-39.3	177.6	-168.2	-106.8	0	0	0	112.5	V419 F425 T427 I428 L434 I435 F466 L467 T470 F483 Y487 L488 L491	V419-F431 HydrophobicContact CG2-CD2 4.33Å; V419-F431 HydrophobicContact CG2-CE2 4.25Å; F425-F431 WeakPolarHBondContact O-CB 3.41Å; F425-F431 WeakPolarHBondContact O-CD2 3.07Å; T427-F431 VanDerWaalsContact O-CB 3.27Å; T427-F431 WeakPolarHBondContact O-CB 3.11Å; T427-F431 PolarHBondContact O-N 3.31Å; I428-F431 PolarHBondContact O-N 3.49Å; F431-L434 HydrophobicContact CD2-CD2 4.48Å; F431-L434 WeakPolarHBondContact O-CB 3.46Å; F431-L434 PolarHBondContact O-N 3.39Å; F431-I435 HydrophobicContact CD1-CD1 3.72Å; F431-I435 HydrophobicContact CE1-CD1 3.38Å; F431-I435 HydrophobicContact CE1-CG1 4.38Å; F431-I435 HydrophobicContact CZ-CD1 3.92Å; F431-I435 WeakPolarHBondContact O-CG1 3.22Å; F431-I435 PolarHBondContact O-N 2.93Å; F431-F466 HydrophobicContact CE2-CE1 4.05Å; F431-F466 AromaticContact CE2-CZ 3.56Å; F431-F466 HydrophobicContact CE2-CZ 3.56Å; F431-F466 AromaticContact CZ-CE1 3.66Å; F431-F466 HydrophobicContact CZ-CE1 3.66Å; F431-F466 AromaticContact CZ-CZ 3.67Å; F431-F466 HydrophobicContact CZ-CZ 3.67Å; F431-L467 HydrophobicContact CE1-CD2 4.08Å; F431-L467 HydrophobicContact CZ-CD2 3.97Å; F431-T470 HydrophobicContact CE2-CG2 3.69Å; F431-T470 HydrophobicContact CZ-CG2 3.92Å; F431-F483 HydrophobicContact CB-CD1 4.05Å; F431-F483 HydrophobicContact CB-CE1 3.68Å; F431-F483 HydrophobicContact CD1-CE1 4.26Å; F431-F483 HydrophobicContact CD1-CZ 4.49Å; F431-F483 AromaticContact CD2-CE1 3.77Å; F431-F483 HydrophobicContact CD2-CE1 3.77Å; F431-F483 AromaticContact CD2-CZ 3.88Å; F431-F483 HydrophobicContact CD2-CZ 3.88Å; F431-F483 HydrophobicContact CE2-CE1 4.46Å; F431-F483 HydrophobicContact CE2-CZ 4.11Å; F431-F483 HydrophobicContact CG-CD1 4.27Å; F431-F483 AromaticContact CG-CE1 3.64Å; F431-F483 HydrophobicContact CG-CE1 3.64Å; F431-F483 HydrophobicContact CG-CZ 4.06Å; F431-F483 HydrophobicContact CZ-CZ 4.48Å; F431-Y487 AromaticContact CD1-CE1 3.76Å; F431-Y487 HydrophobicContact CD1-CE1 3.76Å; F431-Y487 HydrophobicContact CE1-CE1 4.21Å; F431-L488 HydrophobicContact CE1-CD2 3.66Å; F431-L488 HydrophobicContact CZ-CD2 3.86Å; F431-L491 HydrophobicContact CD1-CD2 4.42Å; F431-L491 HydrophobicContact CE1-CD2 3.89Å
432	Q	98.5	Very high	97.5	Very high	8 Å²	8	8.8 Å²	8.8	4%	0.037	5%	0.047	C	C	.	.	H	α-helix	trans	-62.9	-44.8	172.5	-64.6	176	20.3	0	0	111.8	T218 I428 T429 G430 L434 I435 Q436 Y487 W538 W540	T218-Q432 HydrophobicContact CG2-CB 3.51Å; T218-Q432 PolarHBondContact OG1-OE1 2.8Å; I428-Q432 VanDerWaalsContact O-CG 3.23Å; I428-Q432 WeakPolarHBondContact O-CG 3.42Å; I428-Q432 PolarHBondContact O-N 2.73Å; T429-Q432 PolarHBondContact O-N 3.14Å; G430-Q432 VanDerWaalsContact C-N 3.32Å; G430-Q432 PolarHBondContact O-N 2.91Å; Q432-L434 VanDerWaalsContact C-N 3.31Å; Q432-L434 PolarHBondContact O-N 3.07Å; Q432-I435 PolarHBondContact O-N 3.19Å; Q432-Q436 VanDerWaalsContact O-CB 3.22Å; Q432-Q436 WeakPolarHBondContact O-CB 3.41Å; Q432-Q436 PolarHBondContact O-N 2.86Å; Q432-Y487 WeakPolarHBondContact CG-OH 3.06Å; Q432-W538 HydrophobicContact CB-CD2 3.81Å; Q432-W538 HydrophobicContact CB-CE3 3.76Å; Q432-W538 HydrophobicContact CB-CG 4.35Å; Q432-W538 HydrophobicContact CB-CH2 4.34Å; Q432-W538 HydrophobicContact CB-CZ2 4.4Å; Q432-W538 HydrophobicContact CB-CZ3 4.02Å; Q432-W538 HydrophobicContact CG-CD2 3.96Å; Q432-W538 HydrophobicContact CG-CE3 3.41Å; Q432-W538 VanDerWaalsContact CG-CE3 3.41Å; Q432-W538 HydrophobicContact CG-CH2 4.43Å; Q432-W538 HydrophobicContact CG-CZ3 3.68Å; Q432-W540 VanDerWaalsContact NE2-NE1 3.14Å
433	S	98.1	Very high	97.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.2	-42.6	175.2	-175.6	0	0	0	0	111.4	F221 T429 G430 Q436 K437	F221-S433 WeakPolarHBondContact CE2-O 3.48Å; F221-S433 VanDerWaalsContact CE2-OG 3.22Å; F221-S433 WeakPolarHBondContact CE2-OG 3.47Å; F221-S433 WeakPolarHBondContact CZ-OG 3.22Å; T429-S433 VanDerWaalsContact O-CB 3.29Å; T429-S433 WeakPolarHBondContact O-CB 3.43Å; T429-S433 PolarHBondContact O-N 2.97Å; G430-S433 CarbonylContact O-C 3.22Å; G430-S433 VanDerWaalsContact O-CB 3.31Å; G430-S433 WeakPolarHBondContact O-CB 3.39Å; G430-S433 PolarHBondContact O-N 2.72Å; G430-S433 VanDerWaalsContact O-N 3.16Å; S433-Q436 PolarHBondContact O-N 3.34Å; S433-K437 VanDerWaalsContact O-CB 3.26Å; S433-K437 WeakPolarHBondContact O-CB 3.22Å; S433-K437 PolarHBondContact O-N 3.48Å
434	L	98.7	Very high	97.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.4	-50.7	175.9	-178.7	67.4	0	0	0	111.6	Q418 V419 F425 G430 F431 Q432 Q436 K437 E438 F466	Q418-L434 HydrophobicContact CB-CD1 3.84Å; Q418-L434 HydrophobicContact CG-CD1 4.33Å; V419-L434 HydrophobicContact CG2-CD2 3.61Å; F425-L434 HydrophobicContact CB-CD2 4.12Å; F425-L434 HydrophobicContact CD1-CB 3.64Å; F425-L434 HydrophobicContact CD1-CD1 4.17Å; F425-L434 HydrophobicContact CD1-CG 4.34Å; F425-L434 HydrophobicContact CD2-CD1 4.28Å; F425-L434 HydrophobicContact CE1-CB 4Å; F425-L434 HydrophobicContact CE1-CD1 4.12Å; F425-L434 HydrophobicContact CE2-CD1 4.26Å; F425-L434 HydrophobicContact CG-CB 4.18Å; F425-L434 HydrophobicContact CG-CD1 4.23Å; F425-L434 HydrophobicContact CG-CD2 4.24Å; F425-L434 HydrophobicContact CG-CG 4.47Å; F425-L434 HydrophobicContact CZ-CD1 4.16Å; G430-L434 PolarHBondContact O-N 2.7Å; F431-L434 HydrophobicContact CD2-CD2 4.48Å; F431-L434 WeakPolarHBondContact O-CB 3.46Å; F431-L434 PolarHBondContact O-N 3.39Å; Q432-L434 VanDerWaalsContact C-N 3.31Å; Q432-L434 PolarHBondContact O-N 3.07Å; L434-Q436 VanDerWaalsContact C-N 3.33Å; L434-Q436 PolarHBondContact O-N 2.9Å; L434-K437 PolarHBondContact O-N 3.42Å; L434-E438 HydrophobicContact CD1-CG 3.66Å; L434-E438 HydrophobicContact CG-CG 4.43Å; L434-E438 WeakPolarHBondContact O-CB 3.47Å; L434-E438 PolarHBondContact O-N 3.43Å; L434-F466 HydrophobicContact CD2-CZ 4.46Å
435	I	98.8	Very high	97.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63	-45.1	-179.8	-68.2	168.6	0	0	0	110.4	F431 Q432 K437 W439 V440 F463 F466 L491 F503 W538	F431-I435 HydrophobicContact CD1-CD1 3.72Å; F431-I435 HydrophobicContact CE1-CD1 3.38Å; F431-I435 HydrophobicContact CE1-CG1 4.38Å; F431-I435 HydrophobicContact CZ-CD1 3.92Å; F431-I435 WeakPolarHBondContact O-CG1 3.22Å; F431-I435 PolarHBondContact O-N 2.93Å; Q432-I435 PolarHBondContact O-N 3.19Å; I435-K437 VanDerWaalsContact C-N 3.32Å; I435-K437 PolarHBondContact O-N 3.07Å; I435-W439 HydrophobicContact CG2-CB 4.32Å; I435-W439 HydrophobicContact CG2-CG 4.39Å; I435-W439 WeakPolarHBondContact O-CA 3.33Å; I435-W439 VanDerWaalsContact O-CB 3.24Å; I435-W439 WeakPolarHBondContact O-CB 3.08Å; I435-W439 PolarHBondContact O-N 3.21Å; I435-V440 PolarHBondContact O-N 2.88Å; I435-V440 VanDerWaalsContact O-N 3.16Å; I435-F463 HydrophobicContact CD1-CE2 4.19Å; I435-F463 HydrophobicContact CD1-CZ 4.03Å; I435-F463 HydrophobicContact CG1-CE2 4.25Å; I435-F463 HydrophobicContact CG2-CE2 3.89Å; I435-F463 HydrophobicContact CG2-CZ 4.06Å; I435-F466 HydrophobicContact CD1-CE1 4.16Å; I435-F466 HydrophobicContact CG1-CE1 4Å; I435-L491 HydrophobicContact CD1-CD2 3.61Å; I435-F503 HydrophobicContact CG2-CE1 3.99Å; I435-F503 HydrophobicContact CG2-CZ 4.33Å; I435-W538 HydrophobicContact CB-CH2 3.93Å; I435-W538 HydrophobicContact CB-CZ2 4.1Å; I435-W538 HydrophobicContact CD1-CH2 4.26Å; I435-W538 HydrophobicContact CG2-CH2 3.8Å; I435-W538 HydrophobicContact CG2-CZ2 3.95Å
436	Q	98.5	Very high	97.4	Very high	3 Å²	3	5.7 Å²	5.7	1%	0.014	3%	0.032	C	C	.	.	I	π-helix	trans	-59	-43.4	177.7	-174.1	59.9	48.3	0	0	111.8	P219 L220 F221 Q432 S433 L434 V440 M441 W538	P219-Q436 WeakPolarHBondContact O-CG 3.37Å; L220-Q436 HydrophobicContact CD2-CG 4.16Å; L220-Q436 WeakPolarHBondContact O-CG 3.36Å; L220-Q436 PolarHBondContact O-NE2 3.24Å; F221-Q436 HydrophobicContact CD2-CG 4.33Å; Q432-Q436 VanDerWaalsContact O-CB 3.22Å; Q432-Q436 WeakPolarHBondContact O-CB 3.41Å; Q432-Q436 PolarHBondContact O-N 2.86Å; S433-Q436 PolarHBondContact O-N 3.34Å; L434-Q436 VanDerWaalsContact C-N 3.33Å; L434-Q436 PolarHBondContact O-N 2.9Å; Q436-V440 WeakPolarHBondContact O-CB 3.29Å; Q436-M441 WeakPolarHBondContact O-CG 3.41Å; Q436-M441 PolarHBondContact O-N 3.24Å; Q436-W538 HydrophobicContact CB-CZ2 4.34Å
437	K	98.1	Very high	97.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-70.3	-58.4	178.1	-175	177.7	57.3	161.9	0	112.4	F221 W227 E230 C285 S433 L434 I435 A442	F221-K437 HydrophobicContact CD1-CB 4.44Å; F221-K437 HydrophobicContact CD1-CD 4.3Å; F221-K437 HydrophobicContact CD1-CG 4.2Å; F221-K437 HydrophobicContact CD2-CB 3.74Å; F221-K437 HydrophobicContact CD2-CG 4.37Å; F221-K437 HydrophobicContact CE1-CB 4.37Å; F221-K437 HydrophobicContact CE1-CD 3.8Å; F221-K437 HydrophobicContact CE1-CG 4.15Å; F221-K437 HydrophobicContact CE2-CB 3.66Å; F221-K437 HydrophobicContact CE2-CD 4.43Å; F221-K437 HydrophobicContact CE2-CG 4.32Å; F221-K437 HydrophobicContact CG-CB 4.14Å; F221-K437 HydrophobicContact CG-CG 4.31Å; F221-K437 HydrophobicContact CZ-CB 3.99Å; F221-K437 HydrophobicContact CZ-CD 3.87Å; F221-K437 HydrophobicContact CZ-CG 4.21Å; W227-K437 HydrophobicContact CH2-CG 4.02Å; W227-K437 HydrophobicContact CZ3-CD 4.26Å; W227-K437 HydrophobicContact CZ3-CG 4.06Å; E230-K437 HydrophobicContact CG-CD 4.29Å; E230-K437 IonicContact OE1-NZ 3.62Å; E230-K437 PolarHBondContact OE1-NZ 3.26Å; E230-K437 VanDerWaalsContact OE1-NZ 3.09Å; C285-K437 PolarHBondContact O-NZ 3.12Å; S433-K437 VanDerWaalsContact O-CB 3.26Å; S433-K437 WeakPolarHBondContact O-CB 3.22Å; S433-K437 PolarHBondContact O-N 3.48Å; L434-K437 PolarHBondContact O-N 3.42Å; I435-K437 VanDerWaalsContact C-N 3.32Å; I435-K437 PolarHBondContact O-N 3.07Å; K437-A442 PolarHBondContact O-N 3.1Å
438	E	98	Very high	97.4	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.038	C	C	.	.	I	π-helix	trans	-83.2	-23.4	-165.5	-63	-60.2	158.2	0	0	113.8	C285 R296 C411 Q418 L434 A442	C285-E438 WeakPolarHBondContact CA-OE1 3.49Å; C285-E438 WeakPolarHBondContact CB-OE1 3.35Å; C285-E438 PolarHBondContact SG-OE2 3.44Å; R296-E438 IonicContact CZ-OE2 3.79Å; R296-E438 IonicContact NE-OE2 2.76Å; R296-E438 PolarHBondContact NE-OE2 2.74Å; R296-E438 PolarHBondContact NH1-O 2.94Å; R296-E438 IonicContact NH1-OE2 2.68Å; R296-E438 IonicContact NH2-OE2 2.83Å; R296-E438 PolarHBondContact NH2-OE2 3.42Å; C411-E438 PolarHBondContact SG-O 2.96Å; C411-E438 VanDerWaalsContact SG-O 3.39Å; Q418-E438 VanDerWaalsContact NE2-CD 3.29Å; Q418-E438 PolarHBondContact NE2-OE1 3.06Å; L434-E438 HydrophobicContact CD1-CG 3.66Å; L434-E438 HydrophobicContact CG-CG 4.43Å; L434-E438 WeakPolarHBondContact O-CB 3.47Å; L434-E438 PolarHBondContact O-N 3.43Å; E438-A442 WeakPolarHBondContact O-CB 3.49Å
439	W	98.3	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-109.1	-58.1	-178.6	-58.4	68.9	0	0	0	111.1	C411 C412 S415 I435 G443 Y444 F446 F463 F466	C411-W439 HydrophobicContact CB-CD2 4.09Å; C411-W439 HydrophobicContact CB-CE3 4.16Å; C411-W439 HydrophobicContact CB-CZ2 4.45Å; C411-W439 HydrophobicContact CB-CZ3 4.37Å; C412-W439 HydrophobicContact CB-CH2 3.99Å; C412-W439 HydrophobicContact CB-CZ2 4.16Å; S415-W439 PolarHBondContact OG-NE1 2.82Å; I435-W439 HydrophobicContact CG2-CB 4.32Å; I435-W439 HydrophobicContact CG2-CG 4.39Å; I435-W439 WeakPolarHBondContact O-CA 3.33Å; I435-W439 VanDerWaalsContact O-CB 3.24Å; I435-W439 WeakPolarHBondContact O-CB 3.08Å; I435-W439 PolarHBondContact O-N 3.21Å; W439-G443 PolarHBondContact O-N 3.38Å; W439-Y444 AromaticContact CE3-CD1 3.89Å; W439-Y444 HydrophobicContact CE3-CD1 3.89Å; W439-Y444 AromaticContact CE3-CD2 3.68Å; W439-Y444 HydrophobicContact CE3-CD2 3.68Å; W439-Y444 HydrophobicContact CE3-CE1 4.16Å; W439-Y444 AromaticContact CE3-CE2 4Å; W439-Y444 HydrophobicContact CE3-CE2 4Å; W439-Y444 AromaticContact CE3-CG 3.64Å; W439-Y444 HydrophobicContact CE3-CG 3.64Å; W439-Y444 HydrophobicContact CZ3-CD1 4.4Å; W439-Y444 AromaticContact CZ3-CD2 3.8Å; W439-Y444 HydrophobicContact CZ3-CD2 3.8Å; W439-Y444 HydrophobicContact CZ3-CE1 4.26Å; W439-Y444 AromaticContact CZ3-CE2 3.66Å; W439-Y444 HydrophobicContact CZ3-CE2 3.66Å; W439-Y444 HydrophobicContact CZ3-CG 4.19Å; W439-Y444 AromaticContact CZ3-CZ 3.89Å; W439-Y444 WeakPolarHBondContact O-CB 3.22Å; W439-Y444 PolarHBondContact O-N 3.16Å; W439-F446 HydrophobicContact CB-CE2 3.8Å; W439-F446 HydrophobicContact CB-CZ 3.81Å; W439-F446 HydrophobicContact CE3-CZ 4.28Å; W439-F463 AromaticContact CD2-CD2 3.7Å; W439-F463 HydrophobicContact CD2-CD2 3.7Å; W439-F463 HydrophobicContact CD2-CE2 4.09Å; W439-F463 AromaticContact CE2-CD2 3.97Å; W439-F463 HydrophobicContact CE3-CB 4.3Å; W439-F463 AromaticContact CE3-CD2 3.54Å; W439-F463 HydrophobicContact CE3-CD2 3.54Å; W439-F463 HydrophobicContact CE3-CE2 4.35Å; W439-F463 HydrophobicContact CE3-CG 4.36Å; W439-F463 HydrophobicContact CG-CD2 4.43Å; W439-F463 HydrophobicContact CG-CE2 4.4Å; W439-F463 HydrophobicContact CH2-CB 4.34Å; W439-F463 AromaticContact CH2-CD2 3.95Å; W439-F463 HydrophobicContact CH2-CD2 3.95Å; W439-F463 HydrophobicContact CZ2-CD2 4.1Å; W439-F463 HydrophobicContact CZ3-CB 3.83Å; W439-F463 AromaticContact CZ3-CD2 3.68Å; W439-F463 HydrophobicContact CZ3-CD2 3.68Å; W439-F463 HydrophobicContact CZ3-CG 4.25Å; W439-F466 HydrophobicContact CH2-CB 3.63Å; W439-F466 HydrophobicContact CH2-CD1 4.36Å; W439-F466 HydrophobicContact CH2-CG 4.07Å; W439-F466 HydrophobicContact CZ2-CB 3.47Å; W439-F466 VanDerWaalsContact CZ2-CB 3.47Å; W439-F466 AromaticContact CZ2-CD1 3.6Å; W439-F466 HydrophobicContact CZ2-CD1 3.6Å; W439-F466 AromaticContact CZ2-CD2 3.96Å; W439-F466 HydrophobicContact CZ2-CD2 3.96Å; W439-F466 HydrophobicContact CZ2-CE1 4.33Å; W439-F466 AromaticContact CZ2-CG 3.37Å; W439-F466 HydrophobicContact CZ2-CG 3.37Å
440	V	97.9	Very high	97.3	Very high	14 Å²	14	5.6 Å²	5.6	9%	0.085	3%	0.03	C	C	.	.	I	π-helix	trans	-71.2	-58.2	-172.2	-174.2	0	0	0	0	110.8	I435 Q436 A442 G443 F446 T502 F503	I435-V440 PolarHBondContact O-N 2.88Å; I435-V440 VanDerWaalsContact O-N 3.16Å; Q436-V440 WeakPolarHBondContact O-CB 3.29Å; V440-A442 PolarHBondContact O-N 2.78Å; V440-G443 PolarHBondContact O-N 2.94Å; V440-F446 HydrophobicContact CG2-CE2 4.04Å; V440-T502 HydrophobicContact CG2-CG2 3.67Å; V440-T502 WeakPolarHBondContact CG2-O 3.47Å; V440-F503 HydrophobicContact CG2-CE1 4.43Å
441	M	96.7	Very high	97.2	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.02	3%	0.033	C	C	.	.	I	π-helix	trans	-71.2	-32.3	-177.2	-66.9	-45	-65.9	0	0	112.8	L220 F221 E222 W227 P255 Q436 G443 P508	L220-M441 VanDerWaalsContact O-CG 3.27Å; L220-M441 WeakPolarHBondContact O-CG 3.06Å; F221-M441 HydrophobicContact CB-CB 4.38Å; F221-M441 HydrophobicContact CB-CG 3.71Å; F221-M441 WeakPolarHBondContact O-CE 3.16Å; E222-M441 HydrophobicContact CG-CE 4.05Å; E222-M441 HydrophobicContact CG-SD 4.05Å; W227-M441 HydrophobicContact CZ2-CB 4.39Å; P255-M441 HydrophobicContact CB-CB 4.4Å; P255-M441 HydrophobicContact CB-CE 3.91Å; P255-M441 WeakPolarHBondContact CD-O 3.41Å; P255-M441 HydrophobicContact CG-CB 4.48Å; P255-M441 VanDerWaalsContact CG-O 3.27Å; P255-M441 WeakPolarHBondContact CG-O 3.48Å; Q436-M441 WeakPolarHBondContact O-CG 3.41Å; Q436-M441 PolarHBondContact O-N 3.24Å; M441-G443 PolarHBondContact O-N 3.03Å; M441-P508 HydrophobicContact CE-CB 3.9Å; M441-P508 HydrophobicContact CE-CG 3.57Å; M441-P508 HydrophobicContact SD-CB 4.49Å; M441-P508 HydrophobicContact SD-CG 3.87Å
442	A	94.8	Very high	96.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10	175.8	0	0	0	0	0	114.4	R280 L283 R296 K437 E438 V440	R280-A442 PolarHBondContact NH1-O 2.75Å; R280-A442 PolarHBondContact NH2-O 3.42Å; L283-A442 HydrophobicContact CD2-CB 4.19Å; R296-A442 VanDerWaalsContact NH1-CB 3.28Å; K437-A442 PolarHBondContact O-N 3.1Å; E438-A442 WeakPolarHBondContact O-CB 3.49Å; V440-A442 PolarHBondContact O-N 2.78Å
443	G	95.7	Very high	96.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	37.1	176	0	0	0	0	0	114.5	R407 W439 V440 M441 Q445 N506	R407-G443 WeakPolarHBondContact CD-O 3.37Å; W439-G443 PolarHBondContact O-N 3.38Å; V440-G443 PolarHBondContact O-N 2.94Å; M441-G443 PolarHBondContact O-N 3.03Å; G443-Q445 PolarHBondContact O-N 3.28Å; G443-N506 CarbonylContact C-O 3.47Å; G443-N506 WeakPolarHBondContact CA-O 3.35Å; G443-N506 VanDerWaalsContact O-O 3.12Å
444	Y	97.2	Very high	96.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.008	5%	0.049	C	C	.	.			trans	-58.2	135.4	163.9	180	-97.8	0	0	0	109.1	R407 D408 W439 F446 R449 L462 F463	R407-Y444 VanDerWaalsContact O-CD2 3.25Å; R407-Y444 WeakPolarHBondContact O-CD2 3.32Å; D408-Y444 WeakPolarHBondContact OD1-CE2 3.34Å; W439-Y444 AromaticContact CE3-CD1 3.89Å; W439-Y444 HydrophobicContact CE3-CD1 3.89Å; W439-Y444 AromaticContact CE3-CD2 3.68Å; W439-Y444 HydrophobicContact CE3-CD2 3.68Å; W439-Y444 HydrophobicContact CE3-CE1 4.16Å; W439-Y444 AromaticContact CE3-CE2 4Å; W439-Y444 HydrophobicContact CE3-CE2 4Å; W439-Y444 AromaticContact CE3-CG 3.64Å; W439-Y444 HydrophobicContact CE3-CG 3.64Å; W439-Y444 HydrophobicContact CZ3-CD1 4.4Å; W439-Y444 AromaticContact CZ3-CD2 3.8Å; W439-Y444 HydrophobicContact CZ3-CD2 3.8Å; W439-Y444 HydrophobicContact CZ3-CE1 4.26Å; W439-Y444 AromaticContact CZ3-CE2 3.66Å; W439-Y444 HydrophobicContact CZ3-CE2 3.66Å; W439-Y444 HydrophobicContact CZ3-CG 4.19Å; W439-Y444 AromaticContact CZ3-CZ 3.89Å; W439-Y444 WeakPolarHBondContact O-CB 3.22Å; W439-Y444 PolarHBondContact O-N 3.16Å; Y444-F446 HydrophobicContact CD1-CB 4.43Å; Y444-F446 AromaticContact CD1-CD1 3.7Å; Y444-F446 HydrophobicContact CD1-CD1 3.7Å; Y444-F446 AromaticContact CD1-CD2 3.67Å; Y444-F446 HydrophobicContact CD1-CD2 3.67Å; Y444-F446 AromaticContact CD1-CE1 3.73Å; Y444-F446 HydrophobicContact CD1-CE1 3.73Å; Y444-F446 AromaticContact CD1-CE2 3.69Å; Y444-F446 HydrophobicContact CD1-CE2 3.69Å; Y444-F446 AromaticContact CD1-CG 3.66Å; Y444-F446 HydrophobicContact CD1-CG 3.66Å; Y444-F446 AromaticContact CD1-CZ 3.71Å; Y444-F446 HydrophobicContact CD1-CZ 3.71Å; Y444-F446 AromaticContact CE1-CD1 3.76Å; Y444-F446 HydrophobicContact CE1-CD1 3.76Å; Y444-F446 AromaticContact CE1-CE1 3.85Å; Y444-F446 HydrophobicContact CE1-CE1 3.85Å; Y444-F446 HydrophobicContact CE1-CG 4.12Å; Y444-F446 HydrophobicContact CE1-CZ 4.27Å; Y444-F446 HydrophobicContact CG-CE2 4.36Å; Y444-F446 PolarHBondContact O-N 2.88Å; Y444-R449 HydrophobicContact CE1-CB 3.89Å; Y444-R449 HydrophobicContact CE1-CG 3.95Å; Y444-R449 HydrophobicContact CE2-CG 4.25Å; Y444-R449 WeakPolarHBondContact OH-CB 3.09Å; Y444-L462 HydrophobicContact CE2-CD2 4.25Å; Y444-F463 HydrophobicContact CE1-CB 4.44Å
445	Q	96.3	Very high	95.3	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.061	8%	0.078	C	C	.	.			trans	-79.7	58.9	-169.6	-60	-160.8	-73.3	0	0	112.9	G443 L447 D448 R449 N506	G443-Q445 PolarHBondContact O-N 3.28Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 2.98Å; Q445-D448 HydrophobicContact CB-CB 4.22Å; Q445-D448 PolarHBondContact NE2-OD2 3.27Å; Q445-D448 VanDerWaalsContact NE2-OD2 3.16Å; Q445-D448 PolarHBondContact O-N 3.41Å; Q445-D448 VanDerWaalsContact O-N 3.12Å; Q445-R449 HydrophobicContact CB-CG 4.04Å; Q445-R449 VanDerWaalsContact O-CB 3.28Å; Q445-R449 WeakPolarHBondContact O-CB 3.37Å; Q445-R449 WeakPolarHBondContact O-CG 3.35Å; Q445-R449 PolarHBondContact O-N 3.34Å; Q445-N506 WeakPolarHBondContact CA-OD1 3.37Å; Q445-N506 HydrophobicContact CB-CB 4.16Å; Q445-N506 WeakPolarHBondContact CB-OD1 3.23Å; Q445-N506 HydrophobicContact CG-CB 4.24Å; Q445-N506 PolarHBondContact O-OD1 3.11Å; Q445-N506 VanDerWaalsContact O-OD1 3.08Å
446	F	97.5	Very high	94.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-53.9	-41.2	-173.6	-80.3	-73.9	0	0	0	113.8	W439 V440 Y444 D448 R449 C450 F463 F503 N506	W439-F446 HydrophobicContact CB-CE2 3.8Å; W439-F446 HydrophobicContact CB-CZ 3.81Å; W439-F446 HydrophobicContact CE3-CZ 4.28Å; V440-F446 HydrophobicContact CG2-CE2 4.04Å; Y444-F446 HydrophobicContact CD1-CB 4.43Å; Y444-F446 AromaticContact CD1-CD1 3.7Å; Y444-F446 HydrophobicContact CD1-CD1 3.7Å; Y444-F446 AromaticContact CD1-CD2 3.67Å; Y444-F446 HydrophobicContact CD1-CD2 3.67Å; Y444-F446 AromaticContact CD1-CE1 3.73Å; Y444-F446 HydrophobicContact CD1-CE1 3.73Å; Y444-F446 AromaticContact CD1-CE2 3.69Å; Y444-F446 HydrophobicContact CD1-CE2 3.69Å; Y444-F446 AromaticContact CD1-CG 3.66Å; Y444-F446 HydrophobicContact CD1-CG 3.66Å; Y444-F446 AromaticContact CD1-CZ 3.71Å; Y444-F446 HydrophobicContact CD1-CZ 3.71Å; Y444-F446 AromaticContact CE1-CD1 3.76Å; Y444-F446 HydrophobicContact CE1-CD1 3.76Å; Y444-F446 AromaticContact CE1-CE1 3.85Å; Y444-F446 HydrophobicContact CE1-CE1 3.85Å; Y444-F446 HydrophobicContact CE1-CG 4.12Å; Y444-F446 HydrophobicContact CE1-CZ 4.27Å; Y444-F446 HydrophobicContact CG-CE2 4.36Å; Y444-F446 PolarHBondContact O-N 2.88Å; F446-D448 VanDerWaalsContact C-N 3.35Å; F446-D448 PolarHBondContact O-N 2.88Å; F446-R449 PolarHBondContact O-N 3.09Å; F446-C450 WeakPolarHBondContact O-CB 3.42Å; F446-C450 PolarHBondContact O-N 3.31Å; F446-C450 PolarHBondContact O-SG 2.93Å; F446-C450 VanDerWaalsContact O-SG 3.41Å; F446-F463 HydrophobicContact CE1-CB 4.28Å; F446-F463 HydrophobicContact CE1-CD1 4.14Å; F446-F463 HydrophobicContact CE1-CD2 4.11Å; F446-F463 HydrophobicContact CE1-CE2 4.49Å; F446-F463 AromaticContact CE1-CG 3.91Å; F446-F463 HydrophobicContact CE1-CG 3.91Å; F446-F463 HydrophobicContact CZ-CD2 4.16Å; F446-F463 HydrophobicContact CZ-CE2 4.31Å; F446-F463 HydrophobicContact CZ-CG 4.43Å; F446-F503 HydrophobicContact CB-CB 4.49Å; F446-F503 WeakPolarHBondContact CB-O 3.46Å; F446-F503 HydrophobicContact CD1-CB 4.13Å; F446-F503 AromaticContact CD1-CD1 3.82Å; F446-F503 HydrophobicContact CD1-CD1 3.82Å; F446-F503 HydrophobicContact CD1-CG 4.33Å; F446-F503 HydrophobicContact CD2-CD1 4.07Å; F446-F503 AromaticContact CE1-CD1 3.48Å; F446-F503 HydrophobicContact CE1-CD1 3.48Å; F446-F503 VanDerWaalsContact CE1-CD1 3.48Å; F446-F503 AromaticContact CE1-CE1 3.96Å; F446-F503 HydrophobicContact CE1-CE1 3.96Å; F446-F503 HydrophobicContact CE1-CG 4.32Å; F446-F503 AromaticContact CE2-CD1 3.76Å; F446-F503 HydrophobicContact CE2-CD1 3.76Å; F446-F503 HydrophobicContact CE2-CE1 4.21Å; F446-F503 HydrophobicContact CG-CB 4.23Å; F446-F503 HydrophobicContact CG-CD1 4.11Å; F446-F503 AromaticContact CZ-CD1 3.46Å; F446-F503 HydrophobicContact CZ-CD1 3.46Å; F446-F503 VanDerWaalsContact CZ-CD1 3.46Å; F446-F503 AromaticContact CZ-CE1 3.68Å; F446-F503 HydrophobicContact CZ-CE1 3.68Å; F446-N506 PolarHBondContact N-OD1 3.24Å
447	L	96.3	Very high	94	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-45.8	179.6	178.2	66.5	0	0	0	111.9	L172 L175 Q445 N451 H452 L453 N506	L172-L447 HydrophobicContact CD1-CD1 3.47Å; L172-L447 VanDerWaalsContact CD1-CD1 3.47Å; L172-L447 HydrophobicContact CD1-CD2 3.76Å; L172-L447 HydrophobicContact CD1-CG 4.22Å; L172-L447 HydrophobicContact CD2-CD2 4.33Å; L172-L447 HydrophobicContact CG-CD2 4.49Å; L175-L447 HydrophobicContact CD1-CD1 4.42Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 2.98Å; L447-N451 PolarHBondContact O-N 3.45Å; L447-H452 HydrophobicContact CD1-CB 4Å; L447-H452 PolarHBondContact O-N 2.93Å; L447-L453 HydrophobicContact CD1-CD1 4.34Å; L447-L453 HydrophobicContact CD1-CD2 4.29Å; L447-L453 HydrophobicContact CD1-CG 3.96Å; L447-L453 HydrophobicContact CD2-CD1 4.19Å; L447-L453 HydrophobicContact CG-CD1 4.44Å; L447-L453 HydrophobicContact CG-CG 4.44Å; L447-N506 VanDerWaalsContact CB-OD1 3.29Å; L447-N506 WeakPolarHBondContact CB-OD1 3.45Å; L447-N506 PolarHBondContact N-OD1 3.35Å
448	D	96.1	Very high	93.6	Very high	44 Å²	44	31.5 Å²	31.5	24%	0.235	15%	0.146	C	C	.	.	H	α-helix	trans	-75.4	-42.1	-178.5	-62	-11.3	0	0	0	111.2	Q445 F446 N451 S456 N506	Q445-D448 HydrophobicContact CB-CB 4.22Å; Q445-D448 PolarHBondContact NE2-OD2 3.27Å; Q445-D448 VanDerWaalsContact NE2-OD2 3.16Å; Q445-D448 PolarHBondContact O-N 3.41Å; Q445-D448 VanDerWaalsContact O-N 3.12Å; F446-D448 VanDerWaalsContact C-N 3.35Å; F446-D448 PolarHBondContact O-N 2.88Å; D448-N451 PolarHBondContact O-N 3.03Å; D448-S456 WeakPolarHBondContact O-CB 3.08Å; D448-S456 PolarHBondContact O-OG 2.88Å; D448-N506 PolarHBondContact N-OD1 3.39Å; D448-N506 VanDerWaalsContact N-OD1 3.09Å; D448-N506 PolarHBondContact OD1-ND2 2.61Å; D448-N506 PolarHBondContact OD2-ND2 3.36Å
449	R	96.8	Very high	93.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-74.2	-36.8	-175.2	-61.2	-73.6	173.8	-75.1	-6.9	112	D408 Y444 Q445 F446 N451 K458 E459 S460	D408-R449 IonicContact OD1-CZ 2.67Å; D408-R449 IonicContact OD1-NE 3.06Å; D408-R449 PolarHBondContact OD1-NE 2.62Å; D408-R449 IonicContact OD1-NH2 2.95Å; D408-R449 PolarHBondContact OD1-NH2 3.03Å; D408-R449 IonicContact OD2-CZ 3.27Å; D408-R449 IonicContact OD2-NE 3.79Å; D408-R449 PolarHBondContact OD2-NE 3.32Å; D408-R449 IonicContact OD2-NH2 3.97Å; D408-R449 PolarHBondContact OD2-NH2 3.04Å; Y444-R449 HydrophobicContact CE1-CB 3.89Å; Y444-R449 HydrophobicContact CE1-CG 3.95Å; Y444-R449 HydrophobicContact CE2-CG 4.25Å; Y444-R449 WeakPolarHBondContact OH-CB 3.09Å; Q445-R449 HydrophobicContact CB-CG 4.04Å; Q445-R449 VanDerWaalsContact O-CB 3.28Å; Q445-R449 WeakPolarHBondContact O-CB 3.37Å; Q445-R449 WeakPolarHBondContact O-CG 3.35Å; Q445-R449 PolarHBondContact O-N 3.34Å; F446-R449 PolarHBondContact O-N 3.09Å; R449-N451 VanDerWaalsContact C-N 3.28Å; R449-K458 WeakPolarHBondContact CD-O 3.23Å; R449-K458 VanDerWaalsContact NH1-CB 3.31Å; R449-K458 PolarHBondContact NH1-O 3.49Å; R449-E459 WeakPolarHBondContact O-CG 3.17Å; R449-S460 PolarHBondContact O-N 3.1Å; R449-S460 VanDerWaalsContact O-N 3.07Å
450	C	95.6	Very high	93.4	Very high	16 Å²	16	33.4 Å²	33.4	11%	0.108	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.1	170.9	-65.4	0	0	0	0	112.7	K139 F446 H452	K139-C450 PolarHBondContact NZ-O 3.04Å; F446-C450 WeakPolarHBondContact O-CB 3.42Å; F446-C450 PolarHBondContact O-N 3.31Å; F446-C450 PolarHBondContact O-SG 2.93Å; F446-C450 VanDerWaalsContact O-SG 3.41Å; C450-H452 VanDerWaalsContact CB-CE1 3.4Å; C450-H452 WeakPolarHBondContact CB-CE1 3.34Å; C450-H452 WeakPolarHBondContact CB-NE2 3.32Å; C450-H452 PolarHBondContact O-N 2.65Å
451	N	95.1	Very high	93.4	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.07	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	50	178.9	-166.1	19	0	0	0	113.1	K139 L447 D448 R449 L453 K454 R455 S456 E459	K139-N451 PolarHBondContact NZ-O 2.89Å; L447-N451 PolarHBondContact O-N 3.45Å; D448-N451 PolarHBondContact O-N 3.03Å; R449-N451 VanDerWaalsContact C-N 3.28Å; N451-L453 PolarHBondContact O-N 2.94Å; N451-K454 PolarHBondContact O-N 3.33Å; N451-K454 WeakPolarHBondContact OD1-CA 3.32Å; N451-K454 PolarHBondContact OD1-N 2.91Å; N451-K454 VanDerWaalsContact OD1-N 3.16Å; N451-R455 PolarHBondContact OD1-N 3.47Å; N451-R455 VanDerWaalsContact OD1-N 3.1Å; N451-S456 WeakPolarHBondContact OD1-CB 3.42Å; N451-S456 PolarHBondContact OD1-N 3.46Å; N451-S456 VanDerWaalsContact OD1-N 3.08Å; N451-E459 HydrophobicContact CB-CB 3.92Å; N451-E459 VanDerWaalsContact CB-CD 3.44Å; N451-E459 HydrophobicContact CB-CG 3.8Å; N451-E459 WeakPolarHBondContact CB-OE2 3.18Å; N451-E459 PolarHBondContact ND2-OE2 3.3Å
452	H	93.2	Very high	93.5	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.014	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.8	-179.7	-63.3	-45.4	0	0	0	113	T103 L175 L447 C450 T495	T103-H452 HydrophobicContact CG2-CB 4.06Å; L175-H452 HydrophobicContact CD1-CB 4.37Å; L447-H452 HydrophobicContact CD1-CB 4Å; L447-H452 PolarHBondContact O-N 2.93Å; C450-H452 VanDerWaalsContact CB-CE1 3.4Å; C450-H452 WeakPolarHBondContact CB-CE1 3.34Å; C450-H452 WeakPolarHBondContact CB-NE2 3.32Å; C450-H452 PolarHBondContact O-N 2.65Å; H452-T495 PolarHBondContact CE1-O 3.34Å; H452-T495 PolarHBondContact NE2-O 3.18Å
453	L	92.3	Very high	93.7	Very high	34 Å²	34	33.6 Å²	33.6	18%	0.178	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.5	178.6	-51.6	-174.2	0	0	0	113.8	P169 L175 L447 N451 R455	P169-L453 HydrophobicContact CG-CD2 3.95Å; L175-L453 HydrophobicContact CD1-CD2 4.48Å; L175-L453 HydrophobicContact CG-CD2 4.47Å; L447-L453 HydrophobicContact CD1-CD1 4.34Å; L447-L453 HydrophobicContact CD1-CD2 4.29Å; L447-L453 HydrophobicContact CD1-CG 3.96Å; L447-L453 HydrophobicContact CD2-CD1 4.19Å; L447-L453 HydrophobicContact CG-CD1 4.44Å; L447-L453 HydrophobicContact CG-CG 4.44Å; N451-L453 PolarHBondContact O-N 2.94Å; L453-R455 WeakPolarHBondContact O-CG 3.24Å; L453-R455 PolarHBondContact O-N 3.48Å
454	K	87.3	Confident	93.8	Very high	38 Å²	38	33.7 Å²	33.7	17%	0.165	16%	0.157	C	C	.	.	S	Bend	trans	56.7	31.2	176.6	-64.8	-72.1	-170.9	168.2	0	115.4	I105 E106 Q168 N451	I105-K454 WeakPolarHBondContact O-CE 3.39Å; I105-K454 PolarHBondContact O-NZ 2.89Å; E106-K454 PolarHBondContact O-NZ 3.22Å; Q168-K454 HydrophobicContact CB-CB 4.05Å; Q168-K454 HydrophobicContact CB-CG 4.2Å; Q168-K454 HydrophobicContact CG-CB 4.04Å; Q168-K454 HydrophobicContact CG-CG 3.88Å; N451-K454 PolarHBondContact O-N 3.33Å; N451-K454 WeakPolarHBondContact OD1-CA 3.32Å; N451-K454 PolarHBondContact OD1-N 2.91Å; N451-K454 VanDerWaalsContact OD1-N 3.16Å
455	R	82	Confident	93.9	Very high	161 Å²	161	33.6 Å²	33.6	61%	0.608	16%	0.157	S	C	*	.			trans	-132.2	-6	-175.8	-70.9	165.8	178.4	-165	-2.7	113.1	T170 N451 L453 E457	T170-R455 VanDerWaalsContact CG2-NH2 3.28Å; T170-R455 PolarHBondContact O-NH1 3.42Å; N451-R455 PolarHBondContact OD1-N 3.47Å; N451-R455 VanDerWaalsContact OD1-N 3.1Å; L453-R455 WeakPolarHBondContact O-CG 3.24Å; L453-R455 PolarHBondContact O-N 3.48Å; R455-E457 PolarHBondContact O-N 3.35Å
456	S	81.6	Confident	94	Very high	26 Å²	26	33 Å²	33	18%	0.182	15%	0.154	C	C	.	.			trans	-84.8	117.2	-175.9	-177.6	0	0	0	0	109.8	D448 N451 K458 E459	D448-S456 WeakPolarHBondContact O-CB 3.08Å; D448-S456 PolarHBondContact O-OG 2.88Å; N451-S456 WeakPolarHBondContact OD1-CB 3.42Å; N451-S456 PolarHBondContact OD1-N 3.46Å; N451-S456 VanDerWaalsContact OD1-N 3.08Å; S456-K458 PolarHBondContact O-N 3.48Å; S456-K458 WeakPolarHBondContact OG-CA 3.45Å; S456-K458 PolarHBondContact OG-N 3.06Å; S456-K458 VanDerWaalsContact OG-N 3.1Å; S456-E459 PolarHBondContact OG-N 3.14Å
457	E	86.9	Confident	94.1	Very high	186 Å²	186	32.9 Å²	32.9	87%	0.869	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.5	163.8	-63.1	179.6	175.9	0	0	111.8	R455	R455-E457 PolarHBondContact O-N 3.35Å
458	K	90.4	Very high	94.2	Very high	93 Å²	93	32.5 Å²	32.5	40%	0.404	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	29.5	178.3	-53.9	-172.6	175.6	-168.1	0	112	R449 S456 S460	R449-K458 WeakPolarHBondContact CD-O 3.23Å; R449-K458 VanDerWaalsContact NH1-CB 3.31Å; R449-K458 PolarHBondContact NH1-O 3.49Å; S456-K458 PolarHBondContact O-N 3.48Å; S456-K458 WeakPolarHBondContact OG-CA 3.45Å; S456-K458 PolarHBondContact OG-N 3.06Å; S456-K458 VanDerWaalsContact OG-N 3.1Å; K458-S460 PolarHBondContact O-N 3.27Å
459	E	95.5	Very high	94.3	Very high	38 Å²	38	30.4 Å²	30.4	18%	0.178	14%	0.14	C	C	.	.			trans	-60.4	132.9	168.7	-174.8	162	-162.5	0	0	108.8	K139 Q343 R449 N451 S456	K139-E459 IonicContact NZ-OE1 3.17Å; Q343-E459 WeakPolarHBondContact CB-O 3.23Å; Q343-E459 WeakPolarHBondContact CG-O 3.45Å; R449-E459 WeakPolarHBondContact O-CG 3.17Å; N451-E459 HydrophobicContact CB-CB 3.92Å; N451-E459 VanDerWaalsContact CB-CD 3.44Å; N451-E459 HydrophobicContact CB-CG 3.8Å; N451-E459 WeakPolarHBondContact CB-OE2 3.18Å; N451-E459 PolarHBondContact ND2-OE2 3.3Å; S456-E459 PolarHBondContact OG-N 3.14Å
460	S	97.1	Very high	94.4	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	14%	0.14	C	C	.	.			trans	-156.6	133.7	177	-171.5	0	0	0	0	110.8	I339 R449 K458 L462	I339-S460 PolarHBondContact O-OG 3.07Å; R449-S460 PolarHBondContact O-N 3.1Å; R449-S460 VanDerWaalsContact O-N 3.07Å; K458-S460 PolarHBondContact O-N 3.27Å; S460-L462 PolarHBondContact O-N 3.43Å
461	P	97.4	Very high	94.6	Very high	13 Å²	13	30 Å²	30	8%	0.084	14%	0.137	C	C	.	.			trans	-89.7	33	-178.6	37.1	-29.5	0	0	0	110.6	V342 Q343 F346 W374 F463 L464 L465	V342-P461 HydrophobicContact CG1-CG 4.15Å; Q343-P461 VanDerWaalsContact OE1-CD 3.31Å; F346-P461 HydrophobicContact CB-CB 4.29Å; F346-P461 HydrophobicContact CB-CG 3.34Å; F346-P461 HydrophobicContact CD1-CB 3.96Å; F346-P461 HydrophobicContact CD1-CG 3.78Å; F346-P461 HydrophobicContact CD2-CB 4.27Å; F346-P461 HydrophobicContact CD2-CG 4.18Å; F346-P461 HydrophobicContact CE1-CB 4.37Å; F346-P461 HydrophobicContact CG-CB 3.91Å; F346-P461 HydrophobicContact CG-CG 3.5Å; F346-P461 VanDerWaalsContact CG-CG 3.5Å; W374-P461 HydrophobicContact CH2-CB 4.37Å; W374-P461 HydrophobicContact CH2-CG 4.12Å; W374-P461 HydrophobicContact CZ3-CG 3.93Å; P461-F463 PolarHBondContact O-N 3Å; P461-L464 HydrophobicContact CB-CB 4.18Å; P461-L464 HydrophobicContact CB-CD2 4.37Å; P461-L464 CarbonylContact O-C 3.56Å; P461-L464 WeakPolarHBondContact O-CA 3.42Å; P461-L464 WeakPolarHBondContact O-CB 3.34Å; P461-L464 PolarHBondContact O-N 2.92Å; P461-L465 PolarHBondContact O-N 3.4Å
462	L	98.3	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-35.3	-178	-172.7	65.9	0	0	0	112.2	I339 F381 D408 L409 C412 Y444 S460 L464 L465 F466	I339-L462 HydrophobicContact CG2-CD2 4.45Å; F381-L462 HydrophobicContact CE1-CD1 3.91Å; F381-L462 HydrophobicContact CE2-CD1 4.4Å; F381-L462 HydrophobicContact CZ-CD1 3.61Å; D408-L462 VanDerWaalsContact C-CD2 3.4Å; D408-L462 HydrophobicContact CB-CD2 3.82Å; D408-L462 WeakPolarHBondContact O-CD2 3.27Å; L409-L462 HydrophobicContact CD2-CD1 4.31Å; L409-L462 HydrophobicContact CD2-CD2 4.02Å; C412-L462 HydrophobicContact CB-CD1 4.41Å; C412-L462 HydrophobicContact CB-CG 4.37Å; Y444-L462 HydrophobicContact CE2-CD2 4.25Å; S460-L462 PolarHBondContact O-N 3.43Å; L462-L464 VanDerWaalsContact C-N 3.33Å; L462-L464 PolarHBondContact O-N 3.35Å; L462-L465 HydrophobicContact CD1-CD2 4.5Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 3.47Å; L462-F466 PolarHBondContact O-N 3.04Å
463	F	98.6	Very high	95	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-37.3	172	-174.1	-112.9	0	0	0	112.4	I435 W439 Y444 F446 P461 F466 L467 T495 F503	I435-F463 HydrophobicContact CD1-CE2 4.19Å; I435-F463 HydrophobicContact CD1-CZ 4.03Å; I435-F463 HydrophobicContact CG1-CE2 4.25Å; I435-F463 HydrophobicContact CG2-CE2 3.89Å; I435-F463 HydrophobicContact CG2-CZ 4.06Å; W439-F463 AromaticContact CD2-CD2 3.7Å; W439-F463 HydrophobicContact CD2-CD2 3.7Å; W439-F463 HydrophobicContact CD2-CE2 4.09Å; W439-F463 AromaticContact CE2-CD2 3.97Å; W439-F463 HydrophobicContact CE3-CB 4.3Å; W439-F463 AromaticContact CE3-CD2 3.54Å; W439-F463 HydrophobicContact CE3-CD2 3.54Å; W439-F463 HydrophobicContact CE3-CE2 4.35Å; W439-F463 HydrophobicContact CE3-CG 4.36Å; W439-F463 HydrophobicContact CG-CD2 4.43Å; W439-F463 HydrophobicContact CG-CE2 4.4Å; W439-F463 HydrophobicContact CH2-CB 4.34Å; W439-F463 AromaticContact CH2-CD2 3.95Å; W439-F463 HydrophobicContact CH2-CD2 3.95Å; W439-F463 HydrophobicContact CZ2-CD2 4.1Å; W439-F463 HydrophobicContact CZ3-CB 3.83Å; W439-F463 AromaticContact CZ3-CD2 3.68Å; W439-F463 HydrophobicContact CZ3-CD2 3.68Å; W439-F463 HydrophobicContact CZ3-CG 4.25Å; Y444-F463 HydrophobicContact CE1-CB 4.44Å; F446-F463 HydrophobicContact CE1-CB 4.28Å; F446-F463 HydrophobicContact CE1-CD1 4.14Å; F446-F463 HydrophobicContact CE1-CD2 4.11Å; F446-F463 HydrophobicContact CE1-CE2 4.49Å; F446-F463 AromaticContact CE1-CG 3.91Å; F446-F463 HydrophobicContact CE1-CG 3.91Å; F446-F463 HydrophobicContact CZ-CD2 4.16Å; F446-F463 HydrophobicContact CZ-CE2 4.31Å; F446-F463 HydrophobicContact CZ-CG 4.43Å; P461-F463 PolarHBondContact O-N 3Å; F463-F466 HydrophobicContact CD2-CD1 4.07Å; F463-F466 AromaticContact CE2-CD1 3.99Å; F463-F466 HydrophobicContact CE2-CD1 3.99Å; F463-F466 HydrophobicContact CE2-CE1 4.28Å; F463-F466 WeakPolarHBondContact O-CB 3.25Å; F463-F466 PolarHBondContact O-N 3.24Å; F463-L467 HydrophobicContact CD1-CD1 4.1Å; F463-L467 HydrophobicContact CE1-CD1 3.76Å; F463-L467 HydrophobicContact CE1-CG 4.26Å; F463-L467 HydrophobicContact CZ-CD1 4.3Å; F463-L467 HydrophobicContact CZ-CD2 4.28Å; F463-L467 HydrophobicContact CZ-CG 4.41Å; F463-L467 WeakPolarHBondContact O-CG 3.11Å; F463-L467 PolarHBondContact O-N 2.83Å; F463-T495 HydrophobicContact CD1-CG2 3.77Å; F463-T495 HydrophobicContact CE1-CG2 3.57Å; F463-F503 HydrophobicContact CE1-CZ 4.43Å; F463-F503 HydrophobicContact CZ-CE1 4.21Å; F463-F503 HydrophobicContact CZ-CZ 4.21Å
464	L	98.6	Very high	95.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-39.7	172.9	172.6	64.8	0	0	0	111.4	F346 W374 P461 L462 F466 L467 D468 Y492 W657 Y661	F346-L464 HydrophobicContact CD2-CD2 3.9Å; F346-L464 HydrophobicContact CE2-CD2 3.28Å; F346-L464 HydrophobicContact CZ-CD2 3.85Å; W374-L464 HydrophobicContact CH2-CD2 4.44Å; W374-L464 HydrophobicContact CH2-CG 4.42Å; W374-L464 HydrophobicContact CZ2-CD2 4.38Å; W374-L464 HydrophobicContact CZ2-CG 4.21Å; P461-L464 HydrophobicContact CB-CB 4.18Å; P461-L464 HydrophobicContact CB-CD2 4.37Å; P461-L464 CarbonylContact O-C 3.56Å; P461-L464 WeakPolarHBondContact O-CA 3.42Å; P461-L464 WeakPolarHBondContact O-CB 3.34Å; P461-L464 PolarHBondContact O-N 2.92Å; L462-L464 VanDerWaalsContact C-N 3.33Å; L462-L464 PolarHBondContact O-N 3.35Å; L464-F466 VanDerWaalsContact C-N 3.27Å; L464-F466 PolarHBondContact O-N 3.03Å; L464-L467 PolarHBondContact O-N 3Å; L464-L467 VanDerWaalsContact O-N 3.13Å; L464-D468 WeakPolarHBondContact O-CB 3.04Å; L464-D468 PolarHBondContact O-N 2.94Å; L464-Y492 HydrophobicContact CB-CD2 4.05Å; L464-Y492 HydrophobicContact CB-CE2 3.75Å; L464-Y492 HydrophobicContact CD1-CD1 4.16Å; L464-Y492 HydrophobicContact CD1-CD2 3.84Å; L464-Y492 HydrophobicContact CD1-CE1 4.2Å; L464-Y492 HydrophobicContact CD1-CE2 3.91Å; L464-Y492 HydrophobicContact CD1-CG 3.96Å; L464-Y492 HydrophobicContact CD2-CE1 4.41Å; L464-Y492 HydrophobicContact CD2-CE2 3.93Å; L464-Y492 HydrophobicContact CG-CD2 4.4Å; L464-Y492 HydrophobicContact CG-CE2 4.08Å; L464-W657 HydrophobicContact CD1-CZ3 4.23Å; L464-Y661 HydrophobicContact CD2-CE1 4.22Å
465	L	98.7	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-41.7	173.8	-174.8	151.3	0	0	0	110.9	V342 W374 V378 F381 P461 L462 D468 A469	V342-L465 HydrophobicContact CG1-CD1 3.86Å; V342-L465 HydrophobicContact CG2-CD1 4.28Å; W374-L465 HydrophobicContact CH2-CB 3.74Å; W374-L465 HydrophobicContact CH2-CD1 4.44Å; W374-L465 HydrophobicContact CH2-CG 4.43Å; W374-L465 HydrophobicContact CZ2-CB 4.13Å; W374-L465 HydrophobicContact CZ3-CB 4.44Å; W374-L465 HydrophobicContact CZ3-CD1 4.4Å; V378-L465 HydrophobicContact CG2-CG 4.18Å; F381-L465 HydrophobicContact CB-CD2 3.97Å; F381-L465 HydrophobicContact CD1-CD2 4.1Å; F381-L465 HydrophobicContact CD2-CD1 4.12Å; F381-L465 HydrophobicContact CD2-CD2 3.63Å; F381-L465 HydrophobicContact CE1-CD2 4.47Å; F381-L465 HydrophobicContact CE2-CD1 4.04Å; F381-L465 HydrophobicContact CE2-CD2 4.03Å; F381-L465 HydrophobicContact CG-CD2 3.64Å; F381-L465 HydrophobicContact CZ-CD2 4.44Å; P461-L465 PolarHBondContact O-N 3.4Å; L462-L465 HydrophobicContact CD1-CD2 4.5Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 3.47Å; L465-D468 PolarHBondContact O-N 3.1Å; L465-A469 VanDerWaalsContact O-CB 3.31Å; L465-A469 WeakPolarHBondContact O-CB 3.31Å; L465-A469 PolarHBondContact O-N 3.2Å
466	F	98.9	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-44.4	172.9	162.3	-109	0	0	0	112.7	L416 F431 L434 I435 W439 L462 F463 L464 A469 T470	L416-F466 HydrophobicContact CD2-CD2 3.94Å; L416-F466 HydrophobicContact CD2-CE2 4.14Å; L416-F466 HydrophobicContact CG-CD2 4.08Å; L416-F466 HydrophobicContact CG-CE2 4.44Å; F431-F466 HydrophobicContact CE2-CE1 4.05Å; F431-F466 AromaticContact CE2-CZ 3.56Å; F431-F466 HydrophobicContact CE2-CZ 3.56Å; F431-F466 AromaticContact CZ-CE1 3.66Å; F431-F466 HydrophobicContact CZ-CE1 3.66Å; F431-F466 AromaticContact CZ-CZ 3.67Å; F431-F466 HydrophobicContact CZ-CZ 3.67Å; L434-F466 HydrophobicContact CD2-CZ 4.46Å; I435-F466 HydrophobicContact CD1-CE1 4.16Å; I435-F466 HydrophobicContact CG1-CE1 4Å; W439-F466 HydrophobicContact CH2-CB 3.63Å; W439-F466 HydrophobicContact CH2-CD1 4.36Å; W439-F466 HydrophobicContact CH2-CG 4.07Å; W439-F466 HydrophobicContact CZ2-CB 3.47Å; W439-F466 VanDerWaalsContact CZ2-CB 3.47Å; W439-F466 AromaticContact CZ2-CD1 3.6Å; W439-F466 HydrophobicContact CZ2-CD1 3.6Å; W439-F466 AromaticContact CZ2-CD2 3.96Å; W439-F466 HydrophobicContact CZ2-CD2 3.96Å; W439-F466 HydrophobicContact CZ2-CE1 4.33Å; W439-F466 AromaticContact CZ2-CG 3.37Å; W439-F466 HydrophobicContact CZ2-CG 3.37Å; L462-F466 PolarHBondContact O-N 3.04Å; F463-F466 HydrophobicContact CD2-CD1 4.07Å; F463-F466 AromaticContact CE2-CD1 3.99Å; F463-F466 HydrophobicContact CE2-CD1 3.99Å; F463-F466 HydrophobicContact CE2-CE1 4.28Å; F463-F466 WeakPolarHBondContact O-CB 3.25Å; F463-F466 PolarHBondContact O-N 3.24Å; L464-F466 VanDerWaalsContact C-N 3.27Å; L464-F466 PolarHBondContact O-N 3.03Å; F466-A469 PolarHBondContact O-N 3.13Å; F466-T470 WeakPolarHBondContact CE2-OG1 3.48Å; F466-T470 WeakPolarHBondContact O-CB 3.44Å; F466-T470 PolarHBondContact O-N 3.02Å; F466-T470 PolarHBondContact O-OG1 3.3Å
467	L	98.9	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-39.4	177.2	-65.2	178.4	0	0	0	111.6	F431 F463 L464 T470 W471 L488 L491 W657	F431-L467 HydrophobicContact CE1-CD2 4.08Å; F431-L467 HydrophobicContact CZ-CD2 3.97Å; F463-L467 HydrophobicContact CD1-CD1 4.1Å; F463-L467 HydrophobicContact CE1-CD1 3.76Å; F463-L467 HydrophobicContact CE1-CG 4.26Å; F463-L467 HydrophobicContact CZ-CD1 4.3Å; F463-L467 HydrophobicContact CZ-CD2 4.28Å; F463-L467 HydrophobicContact CZ-CG 4.41Å; F463-L467 WeakPolarHBondContact O-CG 3.11Å; F463-L467 PolarHBondContact O-N 2.83Å; L464-L467 PolarHBondContact O-N 3Å; L464-L467 VanDerWaalsContact O-N 3.13Å; L467-T470 PolarHBondContact O-N 3.11Å; L467-W471 WeakPolarHBondContact O-CB 3.19Å; L467-W471 PolarHBondContact O-N 3.08Å; L467-L488 HydrophobicContact CD2-CD2 4.08Å; L467-L491 HydrophobicContact CD2-CD2 4.05Å; L467-W657 HydrophobicContact CB-CH2 4.29Å; L467-W657 HydrophobicContact CB-CZ3 4.02Å
468	D	98.8	Very high	97.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63	-50.4	174	-168.3	-26.9	0	0	0	110.5	W374 V378 L464 L465 T470 W471 Q472 W657 Y661	W374-D468 PolarHBondContact NE1-OD2 2.68Å; V378-D468 HydrophobicContact CG2-CB 4.24Å; L464-D468 WeakPolarHBondContact O-CB 3.04Å; L464-D468 PolarHBondContact O-N 2.94Å; L465-D468 PolarHBondContact O-N 3.1Å; D468-T470 VanDerWaalsContact C-N 3.27Å; D468-T470 PolarHBondContact O-N 3.2Å; D468-W471 CarbonylContact O-C 3.53Å; D468-W471 WeakPolarHBondContact O-CA 3.38Å; D468-W471 WeakPolarHBondContact O-CB 3.47Å; D468-W471 PolarHBondContact O-N 2.57Å; D468-Q472 WeakPolarHBondContact O-CG 3.41Å; D468-Q472 PolarHBondContact O-N 3.28Å; D468-Q472 PolarHBondContact OD1-NE2 3.3Å; D468-W657 HydrophobicContact CB-CE3 4.07Å; D468-Y661 WeakPolarHBondContact OD2-CE2 3.17Å; D468-Y661 PolarHBondContact OD2-OH 3.15Å
469	A	98.8	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.9	-38.2	175.4	0	0	0	0	0	112.6	V378 L382 L416 L465 F466 Q472 L473	V378-A469 HydrophobicContact CG1-CB 4.28Å; L382-A469 HydrophobicContact CD1-CB 4.35Å; L382-A469 HydrophobicContact CD2-CB 3.95Å; L382-A469 HydrophobicContact CG-CB 3.93Å; L416-A469 HydrophobicContact CD1-CB 3.98Å; L416-A469 HydrophobicContact CD2-CB 3.72Å; L416-A469 HydrophobicContact CG-CB 4.49Å; L465-A469 VanDerWaalsContact O-CB 3.31Å; L465-A469 WeakPolarHBondContact O-CB 3.31Å; L465-A469 PolarHBondContact O-N 3.2Å; F466-A469 PolarHBondContact O-N 3.13Å; A469-Q472 WeakPolarHBondContact O-CB 3.23Å; A469-Q472 PolarHBondContact O-N 3.41Å; A469-L473 PolarHBondContact O-N 3.45Å
470	T	98.9	Very high	97.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-40.3	172.5	-57.6	0	0	0	0	111.3	F431 F466 L467 D468 Q472 L473 L474 F481 F483 L488	F431-T470 HydrophobicContact CE2-CG2 3.69Å; F431-T470 HydrophobicContact CZ-CG2 3.92Å; F466-T470 WeakPolarHBondContact CE2-OG1 3.48Å; F466-T470 WeakPolarHBondContact O-CB 3.44Å; F466-T470 PolarHBondContact O-N 3.02Å; F466-T470 PolarHBondContact O-OG1 3.3Å; L467-T470 PolarHBondContact O-N 3.11Å; D468-T470 VanDerWaalsContact C-N 3.27Å; D468-T470 PolarHBondContact O-N 3.2Å; T470-Q472 VanDerWaalsContact C-N 3.33Å; T470-Q472 PolarHBondContact O-N 3.38Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.72Å; T470-L473 VanDerWaalsContact O-N 3.16Å; T470-L474 PolarHBondContact O-N 3.07Å; T470-F481 HydrophobicContact CG2-CE1 4.37Å; T470-F483 HydrophobicContact CG2-CE2 4Å; T470-F483 HydrophobicContact CG2-CZ 3.76Å; T470-L488 HydrophobicContact CG2-CD1 4.42Å; T470-L488 HydrophobicContact CG2-CD2 4.41Å
471	W	98.6	Very high	97.5	Very high	12 Å²	12	9.6 Å²	9.6	5%	0.045	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-37.3	173.9	176.9	87.5	0	0	0	111.9	L467 D468 L473 L474 E475 E485 L488 K655 W657	L467-W471 WeakPolarHBondContact O-CB 3.19Å; L467-W471 PolarHBondContact O-N 3.08Å; D468-W471 CarbonylContact O-C 3.53Å; D468-W471 WeakPolarHBondContact O-CA 3.38Å; D468-W471 WeakPolarHBondContact O-CB 3.47Å; D468-W471 PolarHBondContact O-N 2.57Å; W471-L473 VanDerWaalsContact C-N 3.28Å; W471-L473 PolarHBondContact O-N 3.38Å; W471-L474 WeakPolarHBondContact O-CB 3.24Å; W471-L474 PolarHBondContact O-N 3.28Å; W471-E475 HydrophobicContact CH2-CG 4.38Å; W471-E475 HydrophobicContact CZ2-CB 4.42Å; W471-E475 HydrophobicContact CZ2-CG 4.43Å; W471-E475 WeakPolarHBondContact O-CB 3.28Å; W471-E475 PolarHBondContact O-N 2.86Å; W471-E485 PolarHBondContact NE1-OE2 3.01Å; W471-L488 HydrophobicContact CB-CD1 3.84Å; W471-K655 HydrophobicContact CH2-CB 3.82Å; W471-K655 HydrophobicContact CZ3-CB 3.92Å; W471-W657 HydrophobicContact CB-CD2 4.05Å; W471-W657 HydrophobicContact CB-CE3 4.24Å; W471-W657 HydrophobicContact CB-CZ2 4.46Å; W471-W657 AromaticContact CD1-CD1 3.62Å; W471-W657 AromaticContact CD1-CE2 3.63Å; W471-W657 AromaticContact CD1-NE1 3.28Å; W471-W657 VanDerWaalsContact CD1-NE1 3.28Å; W471-W657 HydrophobicContact CD2-CB 3.93Å; W471-W657 AromaticContact CD2-CD1 3.54Å; W471-W657 HydrophobicContact CD2-CD2 4.07Å; W471-W657 AromaticContact CD2-CG 3.59Å; W471-W657 HydrophobicContact CD2-CG 3.59Å; W471-W657 AromaticContact CE2-CD1 3.28Å; W471-W657 AromaticContact CE2-CG 3.81Å; W471-W657 AromaticContact CE2-NE1 3.79Å; W471-W657 HydrophobicContact CE3-CB 3.71Å; W471-W657 AromaticContact CE3-CG 3.91Å; W471-W657 HydrophobicContact CE3-CG 3.91Å; W471-W657 AromaticContact CG-CD1 3.77Å; W471-W657 AromaticContact CG-CD2 3.8Å; W471-W657 HydrophobicContact CG-CD2 3.8Å; W471-W657 AromaticContact CG-CE2 3.77Å; W471-W657 HydrophobicContact CG-CE3 4.47Å; W471-W657 AromaticContact CG-CG 3.85Å; W471-W657 HydrophobicContact CG-CG 3.85Å; W471-W657 HydrophobicContact CG-CZ2 4.43Å; W471-W657 AromaticContact CG-NE1 3.73Å; W471-W657 HydrophobicContact CH2-CB 4.25Å; W471-W657 HydrophobicContact CZ2-CB 4.43Å; W471-W657 AromaticContact CZ2-CD1 3.79Å; W471-W657 HydrophobicContact CZ2-CG 4.33Å; W471-W657 HydrophobicContact CZ3-CB 3.88Å; W471-W657 HydrophobicContact CZ3-CG 4.42Å; W471-W657 AromaticContact NE1-CD1 3.3Å; W471-W657 VanDerWaalsContact NE1-CD1 3.3Å; W471-W657 AromaticContact NE1-NE1 3.29Å
472	Q	98.5	Very high	97.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.6	-41.3	172.5	-57.6	-60.7	-32.8	0	0	111.3	V378 L382 D468 A469 T470 Q476 I654 K655	V378-Q472 HydrophobicContact CG1-CG 3.78Å; L382-Q472 HydrophobicContact CD1-CB 3.76Å; L382-Q472 HydrophobicContact CD1-CG 3.86Å; D468-Q472 WeakPolarHBondContact O-CG 3.41Å; D468-Q472 PolarHBondContact O-N 3.28Å; D468-Q472 PolarHBondContact OD1-NE2 3.3Å; A469-Q472 WeakPolarHBondContact O-CB 3.23Å; A469-Q472 PolarHBondContact O-N 3.41Å; T470-Q472 VanDerWaalsContact C-N 3.33Å; T470-Q472 PolarHBondContact O-N 3.38Å; Q472-Q476 WeakPolarHBondContact O-CB 3.07Å; Q472-Q476 VanDerWaalsContact O-CG 3.23Å; Q472-Q476 WeakPolarHBondContact O-CG 3.11Å; Q472-Q476 PolarHBondContact O-N 3.21Å; Q472-Q476 VanDerWaalsContact O-N 3.1Å; Q472-I654 HydrophobicContact CG-CD1 4.44Å; Q472-K655 PolarHBondContact NE2-O 3Å
473	L	98.5	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.4	-42.2	175.6	-66.7	171.6	0	0	0	111.8	L382 V419 M420 A469 T470 W471 Q476 Y477 F481 P647	L382-L473 HydrophobicContact CD2-CD1 4.35Å; L382-L473 HydrophobicContact CD2-CD2 4.4Å; L382-L473 HydrophobicContact CD2-CG 4.14Å; V419-L473 HydrophobicContact CG1-CD1 3.87Å; M420-L473 HydrophobicContact CE-CD1 4.11Å; M420-L473 HydrophobicContact CE-CD2 4.31Å; M420-L473 HydrophobicContact CG-CD1 4.07Å; M420-L473 HydrophobicContact CG-CD2 4.48Å; A469-L473 PolarHBondContact O-N 3.45Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.72Å; T470-L473 VanDerWaalsContact O-N 3.16Å; W471-L473 VanDerWaalsContact C-N 3.28Å; W471-L473 PolarHBondContact O-N 3.38Å; L473-Q476 PolarHBondContact O-N 2.81Å; L473-Y477 WeakPolarHBondContact O-CB 3.34Å; L473-Y477 PolarHBondContact O-N 2.88Å; L473-F481 HydrophobicContact CB-CE2 3.97Å; L473-F481 HydrophobicContact CB-CZ 3.68Å; L473-P647 HydrophobicContact CD2-CB 3.73Å; L473-P647 HydrophobicContact CD2-CG 4.25Å
474	L	97.7	Very high	97.3	Very high	11 Å²	11	11 Å²	11	6%	0.058	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.2	171.2	67.2	0	0	0	111.4	T470 W471 Q476 Y477 P478 F481 E485 L488	T470-L474 PolarHBondContact O-N 3.07Å; W471-L474 WeakPolarHBondContact O-CB 3.24Å; W471-L474 PolarHBondContact O-N 3.28Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.06Å; L474-Y477 CarbonylContact O-C 3.44Å; L474-Y477 VanDerWaalsContact O-C 3.22Å; L474-Y477 PolarHBondContact O-N 3.46Å; L474-P478 WeakPolarHBondContact O-CA 3.45Å; L474-P478 WeakPolarHBondContact O-CD 3.4Å; L474-F481 HydrophobicContact CB-CD2 4.26Å; L474-F481 HydrophobicContact CB-CG 4.4Å; L474-F481 HydrophobicContact CD1-CB 3.41Å; L474-F481 VanDerWaalsContact CD1-CB 3.41Å; L474-F481 HydrophobicContact CD1-CD2 4.13Å; L474-F481 HydrophobicContact CD1-CG 3.89Å; L474-E485 HydrophobicContact CD2-CB 4.15Å; L474-L488 HydrophobicContact CD2-CD1 4.19Å
475	E	95.4	Very high	97.2	Very high	66 Å²	66	13.2 Å²	13.2	31%	0.308	7%	0.065	S	C	.	.	H	α-helix	trans	-64.7	-36.2	179.8	176.8	64.6	-173.3	0	0	112	W471 K655	W471-E475 HydrophobicContact CH2-CG 4.38Å; W471-E475 HydrophobicContact CZ2-CB 4.42Å; W471-E475 HydrophobicContact CZ2-CG 4.43Å; W471-E475 WeakPolarHBondContact O-CB 3.28Å; W471-E475 PolarHBondContact O-N 2.86Å; E475-K655 HydrophobicContact CG-CD 4.07Å; E475-K655 IonicContact OE1-NZ 2.71Å; E475-K655 PolarHBondContact OE1-NZ 2.87Å
476	Q	95.3	Very high	97	Very high	35 Å²	35	13.7 Å²	13.7	16%	0.164	7%	0.068	C	C	.	.	H	α-helix	trans	-78.8	-28.3	176.8	-68.3	-179.6	28.4	0	0	113.1	Q472 L473 L474 R648 H653	Q472-Q476 WeakPolarHBondContact O-CB 3.07Å; Q472-Q476 VanDerWaalsContact O-CG 3.23Å; Q472-Q476 WeakPolarHBondContact O-CG 3.11Å; Q472-Q476 PolarHBondContact O-N 3.21Å; Q472-Q476 VanDerWaalsContact O-N 3.1Å; L473-Q476 PolarHBondContact O-N 2.81Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.06Å; Q476-R648 PolarHBondContact NE2-O 2.96Å; Q476-H653 PolarHBondContact NE2-O 3.02Å
477	Y	96.2	Very high	97	Very high	18 Å²	18	13.7 Å²	13.7	7%	0.071	7%	0.068	C	C	.	.			trans	-133.8	59	-176	-61.1	-79.5	0	0	0	112.5	L473 L474 A479 A480 F481 A639 I645 L646	L473-Y477 WeakPolarHBondContact O-CB 3.34Å; L473-Y477 PolarHBondContact O-N 2.88Å; L474-Y477 CarbonylContact O-C 3.44Å; L474-Y477 VanDerWaalsContact O-C 3.22Å; L474-Y477 PolarHBondContact O-N 3.46Å; Y477-A479 PolarHBondContact O-N 3.22Å; Y477-A479 VanDerWaalsContact O-N 3.08Å; Y477-A480 WeakPolarHBondContact O-CB 3.45Å; Y477-A480 PolarHBondContact O-N 3.22Å; Y477-F481 WeakPolarHBondContact O-CD2 3.4Å; Y477-A639 HydrophobicContact CD1-CB 4.22Å; Y477-A639 HydrophobicContact CE1-CB 3.71Å; Y477-I645 HydrophobicContact CD1-CG2 4.4Å; Y477-I645 HydrophobicContact CD2-CB 4.23Å; Y477-I645 HydrophobicContact CD2-CD1 4.19Å; Y477-I645 HydrophobicContact CE2-CB 4.23Å; Y477-I645 HydrophobicContact CG-CB 4.46Å; Y477-I645 HydrophobicContact CG-CD1 4.43Å; Y477-I645 HydrophobicContact CG-CG2 4.43Å; Y477-L646 WeakPolarHBondContact CE2-O 3.4Å; Y477-L646 PolarHBondContact OH-O 3.04Å
478	P	94.5	Very high	97	Very high	31 Å²	31	13.7 Å²	13.7	20%	0.201	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-59.4	-33.2	-171.2	22.4	-34.1	0	0	0	112.6	L474 A480 N554 F556	L474-P478 WeakPolarHBondContact O-CA 3.45Å; L474-P478 WeakPolarHBondContact O-CD 3.4Å; P478-A480 VanDerWaalsContact C-N 3.26Å; P478-A480 PolarHBondContact O-N 3.43Å; P478-N554 PolarHBondContact O-ND2 2.76Å; P478-F556 HydrophobicContact CB-CB 4.07Å; P478-F556 HydrophobicContact CB-CD1 4.5Å; P478-F556 HydrophobicContact CB-CG 4.22Å
479	A	94.1	Very high	96.9	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-74.9	-9.5	179.2	0	0	0	0	0	115	Y477 F556 I558 L641	Y477-A479 PolarHBondContact O-N 3.22Å; Y477-A479 VanDerWaalsContact O-N 3.08Å; A479-F556 VanDerWaalsContact CA-O 3.26Å; A479-F556 WeakPolarHBondContact CA-O 3.32Å; A479-F556 WeakPolarHBondContact CB-O 3.39Å; A479-I558 HydrophobicContact CB-CD1 4.15Å; A479-I558 HydrophobicContact CB-CG1 4.21Å; A479-I558 PolarHBondContact O-N 3.46Å; A479-L641 HydrophobicContact CB-CD1 3.63Å; A479-L641 HydrophobicContact CB-CD2 4.11Å
480	A	96.3	Very high	96.8	Very high	2 Å²	2	14 Å²	14	2%	0.017	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-90.1	-13.4	-179.4	0	0	0	0	0	113.9	R426 Y477 P478 L641	R426-A480 VanDerWaalsContact CB-O 3.28Å; R426-A480 WeakPolarHBondContact CB-O 3.15Å; R426-A480 WeakPolarHBondContact CD-O 3.29Å; Y477-A480 WeakPolarHBondContact O-CB 3.45Å; Y477-A480 PolarHBondContact O-N 3.22Å; P478-A480 VanDerWaalsContact C-N 3.26Å; P478-A480 PolarHBondContact O-N 3.43Å; A480-L641 HydrophobicContact CB-CB 4.33Å; A480-L641 HydrophobicContact CB-CD2 4.13Å
481	F	97.6	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.			trans	-117.2	128.2	-172.7	-72.1	-91.9	0	0	0	111.6	V419 R426 T470 L473 L474 Y477 F483 N554 Y557 I645	V419-F481 HydrophobicContact CG1-CE1 3.66Å; V419-F481 HydrophobicContact CG1-CZ 3.76Å; R426-F481 HydrophobicContact CB-CD1 3.72Å; R426-F481 HydrophobicContact CB-CE1 4.03Å; R426-F481 HydrophobicContact CB-CG 4.22Å; R426-F481 HydrophobicContact CG-CD1 3.95Å; R426-F481 HydrophobicContact CG-CE1 3.73Å; R426-F481 HydrophobicContact CG-CZ 4.13Å; T470-F481 HydrophobicContact CG2-CE1 4.37Å; L473-F481 HydrophobicContact CB-CE2 3.97Å; L473-F481 HydrophobicContact CB-CZ 3.68Å; L474-F481 HydrophobicContact CB-CD2 4.26Å; L474-F481 HydrophobicContact CB-CG 4.4Å; L474-F481 HydrophobicContact CD1-CB 3.41Å; L474-F481 VanDerWaalsContact CD1-CB 3.41Å; L474-F481 HydrophobicContact CD1-CD2 4.13Å; L474-F481 HydrophobicContact CD1-CG 3.89Å; Y477-F481 WeakPolarHBondContact O-CD2 3.4Å; F481-F483 AromaticContact CD1-CE1 3.73Å; F481-F483 HydrophobicContact CD1-CE1 3.73Å; F481-F483 AromaticContact CD1-CE2 3.77Å; F481-F483 HydrophobicContact CD1-CE2 3.77Å; F481-F483 AromaticContact CD1-CZ 3.29Å; F481-F483 HydrophobicContact CD1-CZ 3.29Å; F481-F483 HydrophobicContact CE1-CE1 4.35Å; F481-F483 HydrophobicContact CE1-CE2 4.36Å; F481-F483 AromaticContact CE1-CZ 3.71Å; F481-F483 HydrophobicContact CE1-CZ 3.71Å; F481-F483 HydrophobicContact CG-CZ 4.38Å; F481-N554 WeakPolarHBondContact O-CB 3.29Å; F481-N554 PolarHBondContact O-ND2 2.89Å; F481-Y557 WeakPolarHBondContact O-CB 3.4Å; F481-Y557 WeakPolarHBondContact O-CD2 3.4Å; F481-I645 HydrophobicContact CE2-CD1 3.69Å; F481-I645 HydrophobicContact CZ-CD1 3.85Å
482	E	95.9	Very high	96.7	Very high	46 Å²	46	13.8 Å²	13.8	22%	0.215	7%	0.069	C	C	.	.	S	Bend	trans	-73.4	-33.7	176.9	-173.8	-175.7	-167.4	0	0	112.2	R426 T427 I428 H553 N554 Y557	R426-E482 PolarHBondContact O-N 3.21Å; T427-E482 WeakPolarHBondContact CA-OE2 3.33Å; T427-E482 WeakPolarHBondContact CB-OE2 3.5Å; I428-E482 HydrophobicContact CD1-CG 4.35Å; I428-E482 HydrophobicContact CG1-CG 4.27Å; I428-E482 PolarHBondContact N-OE2 3.25Å; E482-H553 WeakPolarHBondContact O-CA 3.27Å; E482-H553 IonicContact OE1-CE1 2.72Å; E482-H553 IonicContact OE1-ND1 3.55Å; E482-N554 WeakPolarHBondContact O-CB 3.46Å; E482-N554 PolarHBondContact O-N 3.49Å; E482-Y557 HydrophobicContact CB-CD1 3.77Å; E482-Y557 HydrophobicContact CB-CD2 4.35Å; E482-Y557 HydrophobicContact CB-CE1 3.73Å; E482-Y557 HydrophobicContact CB-CE2 4.34Å; E482-Y557 HydrophobicContact CB-CG 4.08Å; E482-Y557 HydrophobicContact CG-CD1 3.84Å; E482-Y557 HydrophobicContact CG-CE1 3.9Å
483	F	97.4	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-85.1	147.3	-178.8	56.5	-102.7	0	0	0	112.2	I428 F431 T470 F481 Y487 L488 F552	I428-F483 HydrophobicContact CG1-CB 3.77Å; F431-F483 HydrophobicContact CB-CD1 4.05Å; F431-F483 HydrophobicContact CB-CE1 3.68Å; F431-F483 HydrophobicContact CD1-CE1 4.26Å; F431-F483 HydrophobicContact CD1-CZ 4.49Å; F431-F483 AromaticContact CD2-CE1 3.77Å; F431-F483 HydrophobicContact CD2-CE1 3.77Å; F431-F483 AromaticContact CD2-CZ 3.88Å; F431-F483 HydrophobicContact CD2-CZ 3.88Å; F431-F483 HydrophobicContact CE2-CE1 4.46Å; F431-F483 HydrophobicContact CE2-CZ 4.11Å; F431-F483 HydrophobicContact CG-CD1 4.27Å; F431-F483 AromaticContact CG-CE1 3.64Å; F431-F483 HydrophobicContact CG-CE1 3.64Å; F431-F483 HydrophobicContact CG-CZ 4.06Å; F431-F483 HydrophobicContact CZ-CZ 4.48Å; T470-F483 HydrophobicContact CG2-CE2 4Å; T470-F483 HydrophobicContact CG2-CZ 3.76Å; F481-F483 AromaticContact CD1-CE1 3.73Å; F481-F483 HydrophobicContact CD1-CE1 3.73Å; F481-F483 AromaticContact CD1-CE2 3.77Å; F481-F483 HydrophobicContact CD1-CE2 3.77Å; F481-F483 AromaticContact CD1-CZ 3.29Å; F481-F483 HydrophobicContact CD1-CZ 3.29Å; F481-F483 HydrophobicContact CE1-CE1 4.35Å; F481-F483 HydrophobicContact CE1-CE2 4.36Å; F481-F483 AromaticContact CE1-CZ 3.71Å; F481-F483 HydrophobicContact CE1-CZ 3.71Å; F481-F483 HydrophobicContact CG-CZ 4.38Å; F483-Y487 HydrophobicContact CB-CD1 3.48Å; F483-Y487 VanDerWaalsContact CB-CD1 3.48Å; F483-Y487 HydrophobicContact CB-CE1 4.13Å; F483-Y487 HydrophobicContact CB-CG 3.95Å; F483-Y487 HydrophobicContact CD2-CD1 4.09Å; F483-Y487 AromaticContact CG-CD1 3.83Å; F483-Y487 HydrophobicContact CG-CD1 3.83Å; F483-Y487 HydrophobicContact CG-CE1 4.26Å; F483-L488 HydrophobicContact CD2-CD1 4.41Å; F483-L488 HydrophobicContact CD2-CD2 3.98Å; F483-L488 HydrophobicContact CD2-CG 4.04Å; F483-L488 HydrophobicContact CE2-CD1 4.02Å; F483-L488 HydrophobicContact CE2-CD2 3.7Å; F483-L488 HydrophobicContact CE2-CG 3.98Å; F483-L488 HydrophobicContact CZ-CD2 4.39Å; F483-F552 CarbonylContact C-O 3.59Å; F483-F552 VanDerWaalsContact CA-O 3.23Å; F483-F552 WeakPolarHBondContact CA-O 3.3Å
484	S	95.8	Very high	96.4	Very high	4 Å²	4	15 Å²	15	3%	0.028	8%	0.076	C	C	.	.			trans	-86.7	170.2	177.3	68.8	0	0	0	0	112.6	T486 Y487 L488 L551 F552	S484-T486 PolarHBondContact O-N 3.37Å; S484-T486 PolarHBondContact OG-N 3.05Å; S484-Y487 WeakPolarHBondContact O-CB 3.35Å; S484-Y487 PolarHBondContact O-N 3.1Å; S484-Y487 PolarHBondContact OG-N 2.83Å; S484-L488 PolarHBondContact O-N 3.36Å; S484-L551 WeakPolarHBondContact CB-O 3.36Å; S484-L551 PolarHBondContact OG-O 3.24Å; S484-F552 PolarHBondContact N-O 3.07Å; S484-F552 PolarHBondContact OG-O 2.72Å
485	E	96.3	Very high	96.4	Very high	48 Å²	48	14.7 Å²	14.7	22%	0.224	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-30.3	170.8	62.2	172.4	164.4	0	0	112.6	W471 L474 Y487 L488 A489 L659	W471-E485 PolarHBondContact NE1-OE2 3.01Å; L474-E485 HydrophobicContact CD2-CB 4.15Å; E485-Y487 VanDerWaalsContact C-N 3.29Å; E485-Y487 PolarHBondContact O-N 3.16Å; E485-L488 PolarHBondContact O-N 3.01Å; E485-A489 PolarHBondContact O-N 3.5Å; E485-L659 HydrophobicContact CB-CD2 4.32Å; E485-L659 HydrophobicContact CG-CD2 3.63Å
486	T	95.6	Very high	96.3	Very high	11 Å²	11	12.3 Å²	12.3	7%	0.067	6%	0.063	C	C	.	.	H	α-helix	trans	-59.7	-41.7	173.5	-57.8	0	0	0	0	111	S484 L488 A489 V490 L551 P740	S484-T486 PolarHBondContact O-N 3.37Å; S484-T486 PolarHBondContact OG-N 3.05Å; T486-L488 PolarHBondContact O-N 3.32Å; T486-A489 PolarHBondContact O-N 3.2Å; T486-V490 HydrophobicContact CG2-CG2 4.26Å; T486-V490 WeakPolarHBondContact O-CB 3.38Å; T486-V490 VanDerWaalsContact O-CG2 3.32Å; T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.46Å; T486-L551 HydrophobicContact CG2-CB 4.25Å; T486-P740 HydrophobicContact CG2-CG 3.62Å
487	Y	98	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.6	-45.5	176	171.4	-101.7	0	0	0	111.8	I428 F431 Q432 F483 S484 E485 V490 L491 W540 F552	I428-Y487 HydrophobicContact CG2-CE2 4.47Å; F431-Y487 AromaticContact CD1-CE1 3.76Å; F431-Y487 HydrophobicContact CD1-CE1 3.76Å; F431-Y487 HydrophobicContact CE1-CE1 4.21Å; Q432-Y487 WeakPolarHBondContact CG-OH 3.06Å; F483-Y487 HydrophobicContact CB-CD1 3.48Å; F483-Y487 VanDerWaalsContact CB-CD1 3.48Å; F483-Y487 HydrophobicContact CB-CE1 4.13Å; F483-Y487 HydrophobicContact CB-CG 3.95Å; F483-Y487 HydrophobicContact CD2-CD1 4.09Å; F483-Y487 AromaticContact CG-CD1 3.83Å; F483-Y487 HydrophobicContact CG-CD1 3.83Å; F483-Y487 HydrophobicContact CG-CE1 4.26Å; S484-Y487 WeakPolarHBondContact O-CB 3.35Å; S484-Y487 PolarHBondContact O-N 3.1Å; S484-Y487 PolarHBondContact OG-N 2.83Å; E485-Y487 VanDerWaalsContact C-N 3.29Å; E485-Y487 PolarHBondContact O-N 3.16Å; Y487-V490 PolarHBondContact O-N 2.82Å; Y487-L491 HydrophobicContact CE1-CD2 4.27Å; Y487-L491 VanDerWaalsContact O-CB 3.22Å; Y487-L491 WeakPolarHBondContact O-CB 3.13Å; Y487-L491 PolarHBondContact O-N 2.85Å; Y487-W540 HydrophobicContact CD2-CZ2 4.45Å; Y487-W540 AromaticContact CE2-CE2 3.89Å; Y487-W540 AromaticContact CE2-CZ2 3.65Å; Y487-W540 HydrophobicContact CE2-CZ2 3.65Å; Y487-W540 AromaticContact CE2-NE1 3.89Å; Y487-F552 HydrophobicContact CD2-CB 3.94Å; Y487-F552 HydrophobicContact CD2-CD1 4.1Å; Y487-F552 AromaticContact CD2-CD2 3.72Å; Y487-F552 HydrophobicContact CD2-CD2 3.72Å; Y487-F552 HydrophobicContact CD2-CE2 4.19Å; Y487-F552 AromaticContact CD2-CG 3.67Å; Y487-F552 HydrophobicContact CD2-CG 3.67Å; Y487-F552 HydrophobicContact CE2-CD2 4.32Å; Y487-F552 HydrophobicContact CG-CB 4.31Å; Y487-F552 HydrophobicContact CG-CG 4.35Å
488	L	98.6	Very high	96.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.8	-42.5	178	-62.8	178.1	0	0	0	112	F431 L467 T470 W471 L474 F483 S484 E485 T486 L491 Y492 W657	F431-L488 HydrophobicContact CE1-CD2 3.66Å; F431-L488 HydrophobicContact CZ-CD2 3.86Å; L467-L488 HydrophobicContact CD2-CD2 4.08Å; T470-L488 HydrophobicContact CG2-CD1 4.42Å; T470-L488 HydrophobicContact CG2-CD2 4.41Å; W471-L488 HydrophobicContact CB-CD1 3.84Å; L474-L488 HydrophobicContact CD2-CD1 4.19Å; F483-L488 HydrophobicContact CD2-CD1 4.41Å; F483-L488 HydrophobicContact CD2-CD2 3.98Å; F483-L488 HydrophobicContact CD2-CG 4.04Å; F483-L488 HydrophobicContact CE2-CD1 4.02Å; F483-L488 HydrophobicContact CE2-CD2 3.7Å; F483-L488 HydrophobicContact CE2-CG 3.98Å; F483-L488 HydrophobicContact CZ-CD2 4.39Å; S484-L488 PolarHBondContact O-N 3.36Å; E485-L488 PolarHBondContact O-N 3.01Å; T486-L488 PolarHBondContact O-N 3.32Å; L488-L491 PolarHBondContact O-N 2.94Å; L488-Y492 PolarHBondContact O-N 2.79Å; L488-W657 HydrophobicContact CB-CH2 3.59Å; L488-W657 HydrophobicContact CB-CZ2 3.69Å
489	A	96.7	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.9	-45.3	177.9	0	0	0	0	0	111.9	E485 T486 L491 Y492 D493 W657 F741	E485-A489 PolarHBondContact O-N 3.5Å; T486-A489 PolarHBondContact O-N 3.2Å; A489-L491 VanDerWaalsContact C-N 3.33Å; A489-L491 PolarHBondContact O-N 2.95Å; A489-Y492 WeakPolarHBondContact O-CB 3.46Å; A489-Y492 PolarHBondContact O-N 2.83Å; A489-D493 PolarHBondContact O-N 3.42Å; A489-W657 HydrophobicContact CB-CZ2 4.19Å; A489-F741 HydrophobicContact CB-CE2 4.18Å; A489-F741 HydrophobicContact CB-CZ 3.94Å
490	V	96.4	Very high	96.3	Very high	7 Å²	7	8.9 Å²	8.9	4%	0.042	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-39.5	176.3	166.6	0	0	0	0	111.4	T486 Y487 D493 S494 W540 F544 F552 F741	T486-V490 HydrophobicContact CG2-CG2 4.26Å; T486-V490 WeakPolarHBondContact O-CB 3.38Å; T486-V490 VanDerWaalsContact O-CG2 3.32Å; T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.46Å; Y487-V490 PolarHBondContact O-N 2.82Å; V490-D493 PolarHBondContact O-N 3.41Å; V490-S494 PolarHBondContact O-N 2.84Å; V490-S494 PolarHBondContact O-OG 3.03Å; V490-W540 HydrophobicContact CG1-CH2 4.27Å; V490-W540 HydrophobicContact CG1-CZ3 3.79Å; V490-F544 HydrophobicContact CG1-CE2 3.39Å; V490-F544 HydrophobicContact CG1-CZ 3.49Å; V490-F544 VanDerWaalsContact CG1-CZ 3.49Å; V490-F544 HydrophobicContact CG2-CZ 4.41Å; V490-F552 HydrophobicContact CB-CE1 4.11Å; V490-F552 HydrophobicContact CB-CZ 4.46Å; V490-F552 HydrophobicContact CG1-CE1 3.97Å; V490-F552 HydrophobicContact CG1-CZ 3.85Å; V490-F552 HydrophobicContact CG2-CE1 4.2Å; V490-F741 HydrophobicContact CG2-CE1 4.4Å; V490-F741 HydrophobicContact CG2-CZ 4.09Å
491	L	98	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.6	-43.7	175.8	178.2	59.7	0	0	0	112.2	F431 I435 L467 Y487 L488 A489 D493 S494 T495 F503 W538 W540	F431-L491 HydrophobicContact CD1-CD2 4.42Å; F431-L491 HydrophobicContact CE1-CD2 3.89Å; I435-L491 HydrophobicContact CD1-CD2 3.61Å; L467-L491 HydrophobicContact CD2-CD2 4.05Å; Y487-L491 HydrophobicContact CE1-CD2 4.27Å; Y487-L491 VanDerWaalsContact O-CB 3.22Å; Y487-L491 WeakPolarHBondContact O-CB 3.13Å; Y487-L491 PolarHBondContact O-N 2.85Å; L488-L491 PolarHBondContact O-N 2.94Å; A489-L491 VanDerWaalsContact C-N 3.33Å; A489-L491 PolarHBondContact O-N 2.95Å; L491-D493 VanDerWaalsContact C-N 3.33Å; L491-S494 PolarHBondContact O-N 3.12Å; L491-T495 PolarHBondContact O-N 2.98Å; L491-F503 HydrophobicContact CD1-CE2 3.98Å; L491-F503 HydrophobicContact CD1-CZ 3.93Å; L491-W538 HydrophobicContact CD1-CH2 4.11Å; L491-W538 HydrophobicContact CD1-CZ3 3.66Å; L491-W540 HydrophobicContact CB-CH2 4.39Å; L491-W540 HydrophobicContact CD1-CH2 4.05Å; L491-W540 HydrophobicContact CD1-CZ2 4.12Å
492	Y	97.5	Very high	96.2	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.024	5%	0.049	C	C	.	.	H	α-helix	trans	-58.8	-45.7	172.5	172.7	-118.6	0	0	0	111.4	K139 L464 L488 A489 S494 T495 R496	K139-Y492 PolarHBondContact O-OH 3.48Å; L464-Y492 HydrophobicContact CB-CD2 4.05Å; L464-Y492 HydrophobicContact CB-CE2 3.75Å; L464-Y492 HydrophobicContact CD1-CD1 4.16Å; L464-Y492 HydrophobicContact CD1-CD2 3.84Å; L464-Y492 HydrophobicContact CD1-CE1 4.2Å; L464-Y492 HydrophobicContact CD1-CE2 3.91Å; L464-Y492 HydrophobicContact CD1-CG 3.96Å; L464-Y492 HydrophobicContact CD2-CE1 4.41Å; L464-Y492 HydrophobicContact CD2-CE2 3.93Å; L464-Y492 HydrophobicContact CG-CD2 4.4Å; L464-Y492 HydrophobicContact CG-CE2 4.08Å; L488-Y492 PolarHBondContact O-N 2.79Å; A489-Y492 WeakPolarHBondContact O-CB 3.46Å; A489-Y492 PolarHBondContact O-N 2.83Å; Y492-S494 VanDerWaalsContact C-N 3.31Å; Y492-S494 PolarHBondContact O-N 3.19Å; Y492-T495 WeakPolarHBondContact O-CB 3.22Å; Y492-T495 WeakPolarHBondContact O-CG2 3.06Å; Y492-T495 PolarHBondContact O-N 3.36Å; Y492-T495 VanDerWaalsContact O-N 3.11Å; Y492-T495 PolarHBondContact O-OG1 3.34Å; Y492-R496 PolarHBondContact OH-NH2 2.83Å
493	D	95.6	Very high	96.2	Very high	25 Å²	25	7.4 Å²	7.4	13%	0.134	4%	0.039	C	C	.	.	H	α-helix	trans	-63.6	-37	178.7	-71.4	-11.8	0	0	0	112.3	A489 V490 L491 T495 R496 R663	A489-D493 PolarHBondContact O-N 3.42Å; V490-D493 PolarHBondContact O-N 3.41Å; L491-D493 VanDerWaalsContact C-N 3.33Å; D493-T495 PolarHBondContact O-N 3.29Å; D493-R496 WeakPolarHBondContact O-CB 3.01Å; D493-R496 PolarHBondContact O-N 3.32Å; D493-R663 IonicContact OD1-CZ 2.76Å; D493-R663 IonicContact OD1-NH2 2.64Å; D493-R663 PolarHBondContact OD1-NH2 3.27Å; D493-R663 IonicContact OD2-CZ 3.77Å; D493-R663 IonicContact OD2-NE 3.8Å; D493-R663 IonicContact OD2-NH2 3.52Å; D493-R663 PolarHBondContact OD2-NH2 2.8Å
494	S	96.5	Very high	96.2	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-63.5	-22.7	175.5	-64.5	0	0	0	0	113.6	V490 L491 Y492 R496 I497 V537 W540 Q543	V490-S494 PolarHBondContact O-N 2.84Å; V490-S494 PolarHBondContact O-OG 3.03Å; L491-S494 PolarHBondContact O-N 3.12Å; Y492-S494 VanDerWaalsContact C-N 3.31Å; Y492-S494 PolarHBondContact O-N 3.19Å; S494-R496 PolarHBondContact O-N 3.19Å; S494-I497 PolarHBondContact O-N 3.14Å; S494-V537 VanDerWaalsContact CB-CG2 3.46Å; S494-W540 WeakPolarHBondContact OG-CZ3 3.26Å; S494-Q543 PolarHBondContact OG-NE2 2.79Å; S494-Q543 VanDerWaalsContact OG-NE2 3.08Å; S494-Q543 PolarHBondContact OG-OE1 2.61Å
495	T	96.6	Very high	96.3	Very high	4 Å²	4	8 Å²	8	3%	0.025	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.1	171.2	71.6	0	0	0	0	112.5	H452 F463 L491 Y492 D493 F503	H452-T495 PolarHBondContact CE1-O 3.34Å; H452-T495 PolarHBondContact NE2-O 3.18Å; F463-T495 HydrophobicContact CD1-CG2 3.77Å; F463-T495 HydrophobicContact CE1-CG2 3.57Å; L491-T495 PolarHBondContact O-N 2.98Å; Y492-T495 WeakPolarHBondContact O-CB 3.22Å; Y492-T495 WeakPolarHBondContact O-CG2 3.06Å; Y492-T495 PolarHBondContact O-N 3.36Å; Y492-T495 VanDerWaalsContact O-N 3.11Å; Y492-T495 PolarHBondContact O-OG1 3.34Å; D493-T495 PolarHBondContact O-N 3.29Å; T495-F503 HydrophobicContact CG2-CD2 3.83Å; T495-F503 HydrophobicContact CG2-CE2 3.98Å; T495-F503 HydrophobicContact CG2-CG 4.16Å; T495-F503 HydrophobicContact CG2-CZ 4.47Å
496	R	94.4	Very high	96.3	Very high	15 Å²	15	6.3 Å²	6.3	6%	0.057	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.9	-177.4	-45.8	-163.4	164.3	-67	3.4	112.9	T103 C104 K139 Y492 D493 S494	T103-R496 PolarHBondContact OG1-O 3.25Å; C104-R496 HydrophobicContact CB-CB 4.15Å; C104-R496 VanDerWaalsContact SG-CD 3.52Å; K139-R496 VanDerWaalsContact CB-NH1 3.3Å; K139-R496 VanDerWaalsContact CD-NH1 3.25Å; K139-R496 PolarHBondContact O-NH2 2.77Å; Y492-R496 PolarHBondContact OH-NH2 2.83Å; D493-R496 WeakPolarHBondContact O-CB 3.01Å; D493-R496 PolarHBondContact O-N 3.32Å; S494-R496 PolarHBondContact O-N 3.19Å
497	I	95.2	Very high	96.3	Very high	10 Å²	10	6.4 Å²	6.4	5%	0.051	4%	0.035	C	C	.	.			trans	-95.3	107.3	179.7	-58.3	178	0	0	0	108.3	F73 L94 L95 P101 S494 L499 F500	F73-I497 HydrophobicContact CE2-CG2 4.06Å; F73-I497 HydrophobicContact CZ-CG2 3.9Å; L94-I497 HydrophobicContact CD1-CG2 4.34Å; L95-I497 HydrophobicContact CD1-CD1 3.96Å; L95-I497 HydrophobicContact CD1-CG1 4.25Å; P101-I497 HydrophobicContact CG-CG1 4.25Å; S494-I497 PolarHBondContact O-N 3.14Å; I497-L499 HydrophobicContact CG2-CB 3.91Å; I497-L499 PolarHBondContact O-N 3.31Å; I497-F500 HydrophobicContact CB-CD2 4.43Å; I497-F500 HydrophobicContact CB-CE2 4.39Å; I497-F500 HydrophobicContact CG2-CD2 4.35Å; I497-F500 HydrophobicContact CG2-CE2 4.07Å
498	S	92.6	Very high	96.2	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.021	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	56.4	-178.8	66.5	0	0	0	0	113.1	A177	A177-S498 WeakPolarHBondContact CB-O 3.14Å; A177-S498 PolarHBondContact N-O 2.82Å
499	L	94.6	Very high	96.1	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-40.1	177.6	-175.5	71.3	0	0	0	111.1	L94 F176 Y180 I497 P535	L94-L499 HydrophobicContact CD1-CD2 3.5Å; L94-L499 HydrophobicContact CD2-CD2 3.9Å; L94-L499 HydrophobicContact CG-CD2 4.35Å; F176-L499 HydrophobicContact CD1-CD1 3.98Å; F176-L499 HydrophobicContact CE1-CD1 3.79Å; Y180-L499 HydrophobicContact CD1-CD1 3.53Å; Y180-L499 HydrophobicContact CD2-CD1 3.67Å; Y180-L499 HydrophobicContact CE1-CD1 3.95Å; Y180-L499 HydrophobicContact CE2-CD1 4.08Å; Y180-L499 HydrophobicContact CG-CD1 3.38Å; I497-L499 HydrophobicContact CG2-CB 3.91Å; I497-L499 PolarHBondContact O-N 3.31Å; L499-P535 HydrophobicContact CG-CG 4.26Å
500	F	96	Very high	96.1	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.009	6%	0.058	C	C	.	.			trans	-90.5	127.3	-170.6	-57.8	-68.4	0	0	0	112.2	L94 I497 T502 L504 P535 V537 L542 Q543	L94-F500 HydrophobicContact CD1-CE2 4.02Å; L94-F500 HydrophobicContact CD1-CZ 3.73Å; I497-F500 HydrophobicContact CB-CD2 4.43Å; I497-F500 HydrophobicContact CB-CE2 4.39Å; I497-F500 HydrophobicContact CG2-CD2 4.35Å; I497-F500 HydrophobicContact CG2-CE2 4.07Å; F500-T502 PolarHBondContact O-N 3.42Å; F500-T502 VanDerWaalsContact O-N 3.07Å; F500-L504 WeakPolarHBondContact O-CD1 3.36Å; F500-L504 WeakPolarHBondContact O-CG 3.32Å; F500-P535 CarbonylContact C-O 3.57Å; F500-P535 VanDerWaalsContact CA-O 3.31Å; F500-P535 WeakPolarHBondContact CA-O 3.01Å; F500-P535 HydrophobicContact CD1-CB 4.14Å; F500-P535 HydrophobicContact CD1-CG 4.12Å; F500-P535 HydrophobicContact CE1-CB 4.43Å; F500-V537 HydrophobicContact CB-CB 3.99Å; F500-V537 HydrophobicContact CD1-CB 4.39Å; F500-V537 HydrophobicContact CD2-CB 4.27Å; F500-V537 HydrophobicContact CD2-CG2 4.01Å; F500-V537 HydrophobicContact CE2-CG2 4.45Å; F500-V537 HydrophobicContact CG-CB 3.95Å; F500-V537 HydrophobicContact CG-CG2 4.21Å; F500-L542 HydrophobicContact CE1-CB 4.32Å; F500-L542 HydrophobicContact CE1-CD1 4.05Å; F500-Q543 HydrophobicContact CE1-CG 4.46Å; F500-Q543 HydrophobicContact CE2-CG 3.82Å; F500-Q543 VanDerWaalsContact CZ-CD 3.5Å; F500-Q543 HydrophobicContact CZ-CG 3.39Å
501	G	95.1	Very high	96.1	Very high	6 Å²	6	13 Å²	13	6%	0.062	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.9	179.6	0	0	0	0	0	114.1	F503 F505 P535	G501-F503 VanDerWaalsContact C-N 3.34Å; G501-F503 PolarHBondContact O-N 2.85Å; G501-F505 WeakPolarHBondContact O-CD2 3.35Å; G501-P535 PolarHBondContact N-O 2.81Å
502	T	97.1	Very high	96	Very high	8 Å²	8	14.6 Å²	14.6	5%	0.049	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.2	-176	-47.4	0	0	0	0	113.4	V440 F500 S536 V537 W538	V440-T502 HydrophobicContact CG2-CG2 3.67Å; V440-T502 WeakPolarHBondContact CG2-O 3.47Å; F500-T502 PolarHBondContact O-N 3.42Å; F500-T502 VanDerWaalsContact O-N 3.07Å; T502-S536 PolarHBondContact OG1-OG 3.31Å; T502-V537 HydrophobicContact CG2-CG1 3.71Å; T502-V537 PolarHBondContact OG1-N 2.73Å; T502-W538 HydrophobicContact CG2-CZ2 3.82Å
503	F	97.1	Very high	95.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.018	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-120.6	16	-173.9	-53.4	-51.1	0	0	0	113.4	I435 V440 F446 F463 L491 T495 G501 V537 W538	I435-F503 HydrophobicContact CG2-CE1 3.99Å; I435-F503 HydrophobicContact CG2-CZ 4.33Å; V440-F503 HydrophobicContact CG2-CE1 4.43Å; F446-F503 HydrophobicContact CB-CB 4.49Å; F446-F503 WeakPolarHBondContact CB-O 3.46Å; F446-F503 HydrophobicContact CD1-CB 4.13Å; F446-F503 AromaticContact CD1-CD1 3.82Å; F446-F503 HydrophobicContact CD1-CD1 3.82Å; F446-F503 HydrophobicContact CD1-CG 4.33Å; F446-F503 HydrophobicContact CD2-CD1 4.07Å; F446-F503 AromaticContact CE1-CD1 3.48Å; F446-F503 HydrophobicContact CE1-CD1 3.48Å; F446-F503 VanDerWaalsContact CE1-CD1 3.48Å; F446-F503 AromaticContact CE1-CE1 3.96Å; F446-F503 HydrophobicContact CE1-CE1 3.96Å; F446-F503 HydrophobicContact CE1-CG 4.32Å; F446-F503 AromaticContact CE2-CD1 3.76Å; F446-F503 HydrophobicContact CE2-CD1 3.76Å; F446-F503 HydrophobicContact CE2-CE1 4.21Å; F446-F503 HydrophobicContact CG-CB 4.23Å; F446-F503 HydrophobicContact CG-CD1 4.11Å; F446-F503 AromaticContact CZ-CD1 3.46Å; F446-F503 HydrophobicContact CZ-CD1 3.46Å; F446-F503 VanDerWaalsContact CZ-CD1 3.46Å; F446-F503 AromaticContact CZ-CE1 3.68Å; F446-F503 HydrophobicContact CZ-CE1 3.68Å; F463-F503 HydrophobicContact CE1-CZ 4.43Å; F463-F503 HydrophobicContact CZ-CE1 4.21Å; F463-F503 HydrophobicContact CZ-CZ 4.21Å; L491-F503 HydrophobicContact CD1-CE2 3.98Å; L491-F503 HydrophobicContact CD1-CZ 3.93Å; T495-F503 HydrophobicContact CG2-CD2 3.83Å; T495-F503 HydrophobicContact CG2-CE2 3.98Å; T495-F503 HydrophobicContact CG2-CG 4.16Å; T495-F503 HydrophobicContact CG2-CZ 4.47Å; G501-F503 VanDerWaalsContact C-N 3.34Å; G501-F503 PolarHBondContact O-N 2.85Å; F503-V537 HydrophobicContact CD2-CG1 4.42Å; F503-V537 HydrophobicContact CE2-CB 4.18Å; F503-V537 HydrophobicContact CE2-CG1 3.68Å; F503-V537 HydrophobicContact CE2-CG2 4.12Å; F503-V537 HydrophobicContact CZ-CG1 4.01Å; F503-W538 HydrophobicContact CZ-CH2 4.02Å
504	L	96.3	Very high	95.9	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	9%	0.094	C	C	.	.	S	Bend	trans	-94.8	-12.6	-173.7	-85	173.1	0	0	0	114.6	L175 A177 F500	L175-L504 HydrophobicContact CD1-CD2 3.64Å; A177-L504 HydrophobicContact CB-CD1 3.39Å; F500-L504 WeakPolarHBondContact O-CD1 3.36Å; F500-L504 WeakPolarHBondContact O-CG 3.32Å
505	F	97.2	Very high	95.9	Very high	12 Å²	12	19.4 Å²	19.4	5%	0.053	9%	0.094	C	C	.	.			trans	-131.4	154.9	-168.9	-53.4	-83.2	0	0	0	111.4	L172 F178 G501 R511 F534	L172-F505 HydrophobicContact CD2-CD1 3.74Å; L172-F505 HydrophobicContact CD2-CE1 3.72Å; L172-F505 HydrophobicContact CG-CE1 4.49Å; F178-F505 HydrophobicContact CE2-CE1 4.39Å; F178-F505 HydrophobicContact CE2-CZ 4.48Å; F178-F505 AromaticContact CZ-CE1 4Å; F178-F505 HydrophobicContact CZ-CE1 4Å; F178-F505 HydrophobicContact CZ-CZ 4.24Å; G501-F505 WeakPolarHBondContact O-CD2 3.35Å; F505-R511 HydrophobicContact CB-CB 4.15Å; F505-R511 VanDerWaalsContact CD1-CA 3.5Å; F505-R511 HydrophobicContact CD1-CB 3.88Å; F505-R511 HydrophobicContact CD1-CG 4.44Å; F505-R511 HydrophobicContact CD2-CB 3.61Å; F505-R511 HydrophobicContact CD2-CG 3.7Å; F505-R511 HydrophobicContact CE1-CB 4.17Å; F505-R511 HydrophobicContact CE1-CG 4.29Å; F505-R511 HydrophobicContact CE2-CB 3.93Å; F505-R511 HydrophobicContact CE2-CG 3.53Å; F505-R511 HydrophobicContact CG-CB 3.6Å; F505-R511 HydrophobicContact CG-CG 4.18Å; F505-R511 HydrophobicContact CZ-CB 4.2Å; F505-R511 HydrophobicContact CZ-CG 3.85Å; F505-F534 HydrophobicContact CE2-CD2 4.2Å; F505-F534 HydrophobicContact CE2-CE2 4.28Å; F505-F534 HydrophobicContact CE2-CG 4.49Å; F505-F534 HydrophobicContact CZ-CD2 4.14Å; F505-F534 HydrophobicContact CZ-CE1 4.33Å; F505-F534 AromaticContact CZ-CE2 3.77Å; F505-F534 HydrophobicContact CZ-CE2 3.77Å; F505-F534 AromaticContact CZ-CZ 3.87Å; F505-F534 HydrophobicContact CZ-CZ 3.87Å
506	N	96.4	Very high	95.8	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.07	11%	0.106	C	C	.	.	S	Bend	trans	-83.3	-15.8	175	-66.1	-33.2	0	0	0	113.6	G443 Q445 F446 L447 D448 Q510	G443-N506 CarbonylContact C-O 3.47Å; G443-N506 WeakPolarHBondContact CA-O 3.35Å; G443-N506 VanDerWaalsContact O-O 3.12Å; Q445-N506 WeakPolarHBondContact CA-OD1 3.37Å; Q445-N506 HydrophobicContact CB-CB 4.16Å; Q445-N506 WeakPolarHBondContact CB-OD1 3.23Å; Q445-N506 HydrophobicContact CG-CB 4.24Å; Q445-N506 PolarHBondContact O-OD1 3.11Å; Q445-N506 VanDerWaalsContact O-OD1 3.08Å; F446-N506 PolarHBondContact N-OD1 3.24Å; L447-N506 VanDerWaalsContact CB-OD1 3.29Å; L447-N506 WeakPolarHBondContact CB-OD1 3.45Å; L447-N506 PolarHBondContact N-OD1 3.35Å; D448-N506 PolarHBondContact N-OD1 3.39Å; D448-N506 VanDerWaalsContact N-OD1 3.09Å; D448-N506 PolarHBondContact OD1-ND2 2.61Å; D448-N506 PolarHBondContact OD2-ND2 3.36Å; N506-Q510 VanDerWaalsContact CB-OE1 3.27Å
507	S	95.9	Very high	95.9	Very high	13 Å²	13	24.4 Å²	24.4	9%	0.091	12%	0.12	C	C	.	.	S	Bend	trans	-161.2	160.8	173.7	74.1	0	0	0	0	111.9	T252 H509 Q510 R511	T252-S507 PolarHBondContact O-OG 3.21Å; T252-S507 VanDerWaalsContact O-OG 3.05Å; S507-H509 PolarHBondContact O-N 3.47Å; S507-H509 PolarHBondContact OG-N 2.87Å; S507-Q510 PolarHBondContact O-N 2.82Å; S507-Q510 VanDerWaalsContact O-N 3.16Å; S507-Q510 PolarHBondContact OG-N 2.65Å; S507-Q510 VanDerWaalsContact OG-N 3.14Å; S507-R511 PolarHBondContact O-N 3.15Å; S507-R511 VanDerWaalsContact O-N 3.16Å
508	P	96.1	Very high	95.9	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.032	12%	0.119	C	C	.	.	H	α-helix	trans	-56.1	-36.7	171.2	-26.6	36	0	0	0	113.2	Y248 M441 R511 V512	Y248-P508 HydrophobicContact CE1-CB 4.18Å; Y248-P508 VanDerWaalsContact OH-C 3.28Å; Y248-P508 WeakPolarHBondContact OH-CB 3.21Å; Y248-P508 PolarHBondContact OH-O 3.31Å; M441-P508 HydrophobicContact CE-CB 3.9Å; M441-P508 HydrophobicContact CE-CG 3.57Å; M441-P508 HydrophobicContact SD-CB 4.49Å; M441-P508 HydrophobicContact SD-CG 3.87Å; P508-R511 WeakPolarHBondContact O-CB 3.41Å; P508-R511 PolarHBondContact O-N 3.02Å; P508-V512 PolarHBondContact O-N 3.2Å; P508-V512 VanDerWaalsContact O-N 3.08Å
509	H	96.4	Very high	96	Very high	48 Å²	48	24.1 Å²	24.1	22%	0.222	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-46.9	174.3	171.1	-95.9	0	0	0	112.2	Y248 T252 S507 R511 V512 K513	Y248-H509 HydrophobicContact CD1-CB 3.59Å; Y248-H509 HydrophobicContact CD2-CB 4.01Å; Y248-H509 AromaticContact CD2-CD2 3.57Å; Y248-H509 HydrophobicContact CE1-CB 3.69Å; Y248-H509 HydrophobicContact CE2-CB 4.13Å; Y248-H509 HydrophobicContact CG-CB 3.73Å; Y248-H509 AromaticContact CG-CD2 3.59Å; Y248-H509 PolarHBondContact OH-N 3.03Å; T252-H509 VanDerWaalsContact O-CB 3.31Å; T252-H509 WeakPolarHBondContact O-CB 3.43Å; S507-H509 PolarHBondContact O-N 3.47Å; S507-H509 PolarHBondContact OG-N 2.87Å; H509-R511 VanDerWaalsContact C-N 3.25Å; H509-R511 PolarHBondContact O-N 2.63Å; H509-V512 PolarHBondContact O-N 3.13Å; H509-K513 WeakPolarHBondContact O-CB 3.18Å; H509-K513 PolarHBondContact O-N 3.41Å
510	Q	96.8	Very high	96	Very high	46 Å²	46	29.8 Å²	29.8	22%	0.215	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-40.1	179.7	-171.8	-174.7	28.7	0	0	110.8	N506 S507 Q514	N506-Q510 VanDerWaalsContact CB-OE1 3.27Å; S507-Q510 PolarHBondContact O-N 2.82Å; S507-Q510 VanDerWaalsContact O-N 3.16Å; S507-Q510 PolarHBondContact OG-N 2.65Å; S507-Q510 VanDerWaalsContact OG-N 3.14Å; Q510-Q514 HydrophobicContact CG-CG 4.16Å; Q510-Q514 VanDerWaalsContact O-CB 3.26Å; Q510-Q514 WeakPolarHBondContact O-CB 3.29Å; Q510-Q514 VanDerWaalsContact O-CG 3.31Å; Q510-Q514 WeakPolarHBondContact O-CG 2.99Å; Q510-Q514 PolarHBondContact O-N 2.89Å
511	R	96.4	Very high	95.9	Very high	48 Å²	48	33.1 Å²	33.1	18%	0.181	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-54.1	173.3	179	-176.5	68.2	178.5	6	111.6	E222 F505 S507 P508 H509 S515 F534	E222-R511 IonicContact OE1-CZ 3.43Å; E222-R511 IonicContact OE1-NH1 3.3Å; E222-R511 PolarHBondContact OE1-NH1 3Å; E222-R511 IonicContact OE1-NH2 3.41Å; E222-R511 PolarHBondContact OE1-NH2 3.18Å; F505-R511 HydrophobicContact CB-CB 4.15Å; F505-R511 VanDerWaalsContact CD1-CA 3.5Å; F505-R511 HydrophobicContact CD1-CB 3.88Å; F505-R511 HydrophobicContact CD1-CG 4.44Å; F505-R511 HydrophobicContact CD2-CB 3.61Å; F505-R511 HydrophobicContact CD2-CG 3.7Å; F505-R511 HydrophobicContact CE1-CB 4.17Å; F505-R511 HydrophobicContact CE1-CG 4.29Å; F505-R511 HydrophobicContact CE2-CB 3.93Å; F505-R511 HydrophobicContact CE2-CG 3.53Å; F505-R511 HydrophobicContact CG-CB 3.6Å; F505-R511 HydrophobicContact CG-CG 4.18Å; F505-R511 HydrophobicContact CZ-CB 4.2Å; F505-R511 HydrophobicContact CZ-CG 3.85Å; S507-R511 PolarHBondContact O-N 3.15Å; S507-R511 VanDerWaalsContact O-N 3.16Å; P508-R511 WeakPolarHBondContact O-CB 3.41Å; P508-R511 PolarHBondContact O-N 3.02Å; H509-R511 VanDerWaalsContact C-N 3.25Å; H509-R511 PolarHBondContact O-N 2.63Å; R511-S515 WeakPolarHBondContact O-CB 3.49Å; R511-S515 PolarHBondContact O-N 3.08Å; R511-S515 PolarHBondContact O-OG 3.17Å; R511-S515 VanDerWaalsContact O-OG 3.05Å; R511-F534 HydrophobicContact CG-CD2 4.34Å; R511-F534 HydrophobicContact CG-CE2 4.44Å
512	V	95.5	Very high	95.8	Very high	32 Å²	32	37 Å²	37	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-56.1	178.8	164.6	0	0	0	0	110.3	Y248 P508 H509 Q514 S515 T516 K530	Y248-V512 HydrophobicContact CE2-CB 4.37Å; Y248-V512 HydrophobicContact CE2-CG2 4.22Å; P508-V512 PolarHBondContact O-N 3.2Å; P508-V512 VanDerWaalsContact O-N 3.08Å; H509-V512 PolarHBondContact O-N 3.13Å; V512-Q514 PolarHBondContact O-N 3.1Å; V512-S515 PolarHBondContact O-N 3.28Å; V512-S515 PolarHBondContact O-OG 3.06Å; V512-T516 PolarHBondContact O-N 2.69Å; V512-T516 PolarHBondContact O-OG1 3.36Å; V512-T516 VanDerWaalsContact O-OG1 3.07Å; V512-K530 WeakPolarHBondContact CG1-O 3.14Å
513	K	95.9	Very high	95.6	Very high	104 Å²	104	43.6 Å²	43.6	45%	0.452	22%	0.221	S	C	.	.	H	α-helix	trans	-52.9	-55.2	-179.1	178.6	179.3	174.8	-179.9	0	112.3	H509 S515 T516 E517	H509-K513 WeakPolarHBondContact O-CB 3.18Å; H509-K513 PolarHBondContact O-N 3.41Å; K513-S515 VanDerWaalsContact C-N 3.33Å; K513-S515 PolarHBondContact O-N 3.24Å; K513-T516 PolarHBondContact O-N 3.03Å; K513-E517 WeakPolarHBondContact CE-OE1 3.48Å; K513-E517 WeakPolarHBondContact CG-OE1 3.18Å; K513-E517 IonicContact NZ-OE1 3.42Å; K513-E517 WeakPolarHBondContact O-CB 3.26Å; K513-E517 WeakPolarHBondContact O-CG 3.34Å; K513-E517 PolarHBondContact O-N 3.33Å
514	Q	96.4	Very high	95.3	Very high	29 Å²	29	44.2 Å²	44.2	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-34.8	-175.1	-72.7	-72.7	-29.1	0	0	112.3	L172 F178 Q510 V512 E517 F518	L172-Q514 HydrophobicContact CD2-CB 4.04Å; L172-Q514 HydrophobicContact CD2-CG 3.77Å; F178-Q514 HydrophobicContact CE1-CB 4.45Å; F178-Q514 HydrophobicContact CZ-CB 4.15Å; Q510-Q514 HydrophobicContact CG-CG 4.16Å; Q510-Q514 VanDerWaalsContact O-CB 3.26Å; Q510-Q514 WeakPolarHBondContact O-CB 3.29Å; Q510-Q514 VanDerWaalsContact O-CG 3.31Å; Q510-Q514 WeakPolarHBondContact O-CG 2.99Å; Q510-Q514 PolarHBondContact O-N 2.89Å; V512-Q514 PolarHBondContact O-N 3.1Å; Q514-E517 PolarHBondContact NE2-OE2 2.68Å; Q514-F518 WeakPolarHBondContact O-CB 3.15Å; Q514-F518 PolarHBondContact O-N 3.42Å
515	S	95.6	Very high	94.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-38.7	176.5	76.5	0	0	0	0	112.7	R511 V512 K513 A519 G531 L532	R511-S515 WeakPolarHBondContact O-CB 3.49Å; R511-S515 PolarHBondContact O-N 3.08Å; R511-S515 PolarHBondContact O-OG 3.17Å; R511-S515 VanDerWaalsContact O-OG 3.05Å; V512-S515 PolarHBondContact O-N 3.28Å; V512-S515 PolarHBondContact O-OG 3.06Å; K513-S515 VanDerWaalsContact C-N 3.33Å; K513-S515 PolarHBondContact O-N 3.24Å; S515-A519 WeakPolarHBondContact O-CB 3.43Å; S515-A519 PolarHBondContact O-N 3.47Å; S515-G531 VanDerWaalsContact OG-CA 3.24Å; S515-G531 WeakPolarHBondContact OG-CA 3.34Å; S515-L532 PolarHBondContact OG-N 3.04Å
516	T	95.1	Very high	94.4	Very high	45 Å²	45	53.8 Å²	53.8	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-70.9	-44.9	176.9	-59	0	0	0	0	111.1	V512 K513 F518 A519 I520	V512-T516 PolarHBondContact O-N 2.69Å; V512-T516 PolarHBondContact O-OG1 3.36Å; V512-T516 VanDerWaalsContact O-OG1 3.07Å; K513-T516 PolarHBondContact O-N 3.03Å; T516-F518 VanDerWaalsContact C-N 3.33Å; T516-F518 PolarHBondContact O-N 2.71Å; T516-A519 PolarHBondContact O-N 3.46Å; T516-I520 HydrophobicContact CG2-CD1 4Å; T516-I520 VanDerWaalsContact O-CG1 3.29Å; T516-I520 WeakPolarHBondContact O-CG1 3.43Å; T516-I520 PolarHBondContact O-N 3.5Å
517	E	95.8	Very high	93.8	Very high	78 Å²	78	56.6 Å²	56.6	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-45.5	175.1	-74.7	171.3	176.5	0	0	111.5	K513 Q514 I520 S521	K513-E517 WeakPolarHBondContact CE-OE1 3.48Å; K513-E517 WeakPolarHBondContact CG-OE1 3.18Å; K513-E517 IonicContact NZ-OE1 3.42Å; K513-E517 WeakPolarHBondContact O-CB 3.26Å; K513-E517 WeakPolarHBondContact O-CG 3.34Å; K513-E517 PolarHBondContact O-N 3.33Å; Q514-E517 PolarHBondContact NE2-OE2 2.68Å; E517-I520 PolarHBondContact O-N 3.12Å; E517-S521 PolarHBondContact O-N 3.17Å
518	F	95.9	Very high	93.2	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-45.5	175.7	-177	-90.6	0	0	0	112.1	Q173 F178 Q514 T516 I520 S521 K522 I524 L532	Q173-F518 HydrophobicContact CB-CD2 3.98Å; Q173-F518 HydrophobicContact CG-CB 4.34Å; Q173-F518 HydrophobicContact CG-CD2 4.15Å; F178-F518 HydrophobicContact CB-CD1 4.49Å; F178-F518 HydrophobicContact CB-CD2 4.05Å; F178-F518 HydrophobicContact CB-CE1 4.2Å; F178-F518 HydrophobicContact CB-CE2 3.75Å; F178-F518 HydrophobicContact CB-CG 4.39Å; F178-F518 HydrophobicContact CB-CZ 3.81Å; F178-F518 HydrophobicContact CD1-CB 3.71Å; F178-F518 HydrophobicContact CD1-CD1 4.01Å; F178-F518 AromaticContact CD1-CD2 3.76Å; F178-F518 HydrophobicContact CD1-CD2 3.76Å; F178-F518 HydrophobicContact CD1-CE2 4.33Å; F178-F518 AromaticContact CD1-CG 3.55Å; F178-F518 HydrophobicContact CD1-CG 3.55Å; F178-F518 HydrophobicContact CE1-CB 3.95Å; F178-F518 HydrophobicContact CE1-CG 4.3Å; F178-F518 HydrophobicContact CG-CD2 4.24Å; F178-F518 HydrophobicContact CG-CE2 4.41Å; F178-F518 HydrophobicContact CG-CG 4.39Å; Q514-F518 WeakPolarHBondContact O-CB 3.15Å; Q514-F518 PolarHBondContact O-N 3.42Å; T516-F518 VanDerWaalsContact C-N 3.33Å; T516-F518 PolarHBondContact O-N 2.71Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 3.33Å; F518-S521 PolarHBondContact O-N 3.49Å; F518-S521 VanDerWaalsContact O-N 3.14Å; F518-S521 PolarHBondContact O-OG 3.08Å; F518-K522 HydrophobicContact CD1-CG 4.15Å; F518-K522 HydrophobicContact CE1-CG 3.77Å; F518-K522 HydrophobicContact CE2-CG 4.14Å; F518-K522 HydrophobicContact CZ-CD 4.32Å; F518-K522 HydrophobicContact CZ-CG 3.77Å; F518-K522 PolarHBondContact O-N 3.04Å; F518-I524 HydrophobicContact CD1-CD1 4.44Å; F518-I524 HydrophobicContact CE1-CD1 4.22Å; F518-L532 HydrophobicContact CD1-CD1 3.6Å; F518-L532 HydrophobicContact CE1-CD1 4.17Å; F518-L532 HydrophobicContact CG-CD1 4.49Å
519	A	94.4	Very high	92.7	Very high	2 Å²	2	67.8 Å²	67.8	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-42.5	178.6	0	0	0	0	0	112	S515 T516 K522 N523 I524 L526 L532	S515-A519 WeakPolarHBondContact O-CB 3.43Å; S515-A519 PolarHBondContact O-N 3.47Å; T516-A519 PolarHBondContact O-N 3.46Å; A519-K522 CarbonylContact O-C 3.56Å; A519-K522 PolarHBondContact O-N 2.98Å; A519-N523 PolarHBondContact O-N 3.11Å; A519-I524 HydrophobicContact CB-CB 4.08Å; A519-I524 PolarHBondContact O-N 2.79Å; A519-L526 HydrophobicContact CB-CD1 3.8Å; A519-L526 HydrophobicContact CB-CD2 3.97Å; A519-L526 HydrophobicContact CB-CG 3.9Å; A519-L532 HydrophobicContact CB-CD2 4.36Å; A519-L532 HydrophobicContact CB-CG 4.41Å
520	I	94.1	Very high	92	Very high	120 Å²	120	71 Å²	71	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-49.2	173.7	-67.2	164.9	0	0	0	110.2	T516 E517 F518 K522 N523	T516-I520 HydrophobicContact CG2-CD1 4Å; T516-I520 VanDerWaalsContact O-CG1 3.29Å; T516-I520 WeakPolarHBondContact O-CG1 3.43Å; T516-I520 PolarHBondContact O-N 3.5Å; E517-I520 PolarHBondContact O-N 3.12Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 3.33Å; I520-K522 PolarHBondContact O-N 3.1Å; I520-N523 PolarHBondContact O-N 3.17Å; I520-N523 VanDerWaalsContact O-N 3.13Å
521	S	94.5	Very high	91.6	Very high	71 Å²	71	69.2 Å²	69.2	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-27.9	-178.1	78.5	0	0	0	0	113.9	E517 F518	E517-S521 PolarHBondContact O-N 3.17Å; F518-S521 PolarHBondContact O-N 3.49Å; F518-S521 VanDerWaalsContact O-N 3.14Å; F518-S521 PolarHBondContact O-OG 3.08Å
522	K	93	Very high	91.4	Very high	88 Å²	88	67.3 Å²	67.3	38%	0.383	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.3	-179.2	-63	-73.8	176.1	148.5	0	113.3	E179 F518 A519 I520 I524	E179-K522 IonicContact OE1-NZ 2.81Å; E179-K522 PolarHBondContact OE1-NZ 2.78Å; F518-K522 HydrophobicContact CD1-CG 4.15Å; F518-K522 HydrophobicContact CE1-CG 3.77Å; F518-K522 HydrophobicContact CE2-CG 4.14Å; F518-K522 HydrophobicContact CZ-CD 4.32Å; F518-K522 HydrophobicContact CZ-CG 3.77Å; F518-K522 PolarHBondContact O-N 3.04Å; A519-K522 CarbonylContact O-C 3.56Å; A519-K522 PolarHBondContact O-N 2.98Å; I520-K522 PolarHBondContact O-N 3.1Å; K522-I524 VanDerWaalsContact C-N 3.27Å; K522-I524 HydrophobicContact CB-CD1 3.92Å; K522-I524 HydrophobicContact CB-CG1 3.93Å; K522-I524 PolarHBondContact O-N 3.16Å
523	N	92.2	Very high	91.2	Very high	146 Å²	146	71.4 Å²	71.4	78%	0.781	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41	-175.2	-61.9	-57.4	0	0	0	113.6	A519 I520	A519-N523 PolarHBondContact O-N 3.11Å; I520-N523 PolarHBondContact O-N 3.17Å; I520-N523 VanDerWaalsContact O-N 3.13Å
524	I	91.6	Very high	91.2	Very high	17 Å²	17	67.8 Å²	67.8	9%	0.087	36%	0.358	C	S	.	.			trans	-85.2	124.2	176.9	-63	171.1	0	0	0	109.4	Y185 F518 A519 K522 L526 L532	Y185-I524 HydrophobicContact CD1-CG2 3.83Å; Y185-I524 HydrophobicContact CG-CG2 3.88Å; F518-I524 HydrophobicContact CD1-CD1 4.44Å; F518-I524 HydrophobicContact CE1-CD1 4.22Å; A519-I524 HydrophobicContact CB-CB 4.08Å; A519-I524 PolarHBondContact O-N 2.79Å; K522-I524 VanDerWaalsContact C-N 3.27Å; K522-I524 HydrophobicContact CB-CD1 3.92Å; K522-I524 HydrophobicContact CB-CG1 3.93Å; K522-I524 PolarHBondContact O-N 3.16Å; I524-L526 HydrophobicContact CG2-CD2 4.45Å; I524-L526 PolarHBondContact O-N 3.09Å; I524-L532 HydrophobicContact CD1-CD2 4.24Å; I524-L532 HydrophobicContact CG2-CD2 4.14Å
525	Q	88.6	Confident	91.1	Very high	183 Å²	183	67.5 Å²	67.5	86%	0.855	36%	0.359	S	S	*	.			trans	-78.1	112.9	173.8	-63.1	-175.6	8.4	0	0	110.3
526	L	85.1	Confident	91.1	Very high	34 Å²	34	68.7 Å²	68.7	18%	0.178	37%	0.367	C	S	.	.			trans	-84.2	-21.3	-178.4	-69.3	174.6	0	0	0	113.9	Y185 A519 I524 E529 L532	Y185-L526 HydrophobicContact CE1-CD2 4.22Å; A519-L526 HydrophobicContact CB-CD1 3.8Å; A519-L526 HydrophobicContact CB-CD2 3.97Å; A519-L526 HydrophobicContact CB-CG 3.9Å; I524-L526 HydrophobicContact CG2-CD2 4.45Å; I524-L526 PolarHBondContact O-N 3.09Å; L526-E529 WeakPolarHBondContact O-CB 3.34Å; L526-E529 WeakPolarHBondContact O-CG 3.36Å; L526-E529 PolarHBondContact O-N 3.06Å; L526-L532 HydrophobicContact CD2-CD2 3.79Å; L526-L532 HydrophobicContact CD2-CG 4.36Å
527	G	85	Confident	91.2	Very high	71 Å²	71	66.5 Å²	66.5	73%	0.732	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-133.4	-169.3	0	0	0	0	0	111.1	E529	G527-E529 VanDerWaalsContact C-N 3.26Å; G527-E529 PolarHBondContact O-N 3.49Å
528	D	82.8	Confident	91.2	Very high	173 Å²	173	63.8 Å²	63.8	93%	0.925	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	0.3	179.5	-61.8	-32.3	0	0	0	113.9
529	E	84.9	Confident	91.2	Very high	80 Å²	80	67 Å²	67	37%	0.374	36%	0.358	S	S	.	.			trans	-76.5	135.6	-176	-58.2	-65.7	175.8	0	0	111.9	L526 G527 G531 K533	L526-E529 WeakPolarHBondContact O-CB 3.34Å; L526-E529 WeakPolarHBondContact O-CG 3.36Å; L526-E529 PolarHBondContact O-N 3.06Å; G527-E529 VanDerWaalsContact C-N 3.26Å; G527-E529 PolarHBondContact O-N 3.49Å; E529-G531 PolarHBondContact O-N 3.14Å; E529-K533 WeakPolarHBondContact OE1-CE 3.29Å; E529-K533 IonicContact OE1-NZ 3.31Å; E529-K533 PolarHBondContact OE1-NZ 3.22Å; E529-K533 WeakPolarHBondContact OE2-CE 3.12Å; E529-K533 IonicContact OE2-NZ 2.58Å; E529-K533 PolarHBondContact OE2-NZ 3.08Å
530	K	83	Confident	91.3	Very high	117 Å²	117	67.7 Å²	67.7	51%	0.509	36%	0.36	S	S	.	.	S	Bend	trans	-70.8	21.7	175.3	-62.9	-172.6	-178.9	-179.1	0	113.8	E256 V512	E256-K530 IonicContact OE1-NZ 3.78Å; E256-K530 PolarHBondContact OE1-NZ 2.86Å; E256-K530 IonicContact OE2-NZ 2.71Å; E256-K530 PolarHBondContact OE2-NZ 2.9Å; V512-K530 WeakPolarHBondContact CG1-O 3.14Å
531	G	88.8	Confident	91.3	Very high	7 Å²	7	64.5 Å²	64.5	7%	0.072	35%	0.348	C	S	.	.	S	Bend	trans	137.6	-177.4	-174	0	0	0	0	0	114	S515 E529	S515-G531 VanDerWaalsContact OG-CA 3.24Å; S515-G531 WeakPolarHBondContact OG-CA 3.34Å; E529-G531 PolarHBondContact O-N 3.14Å
532	L	91.9	Very high	91.3	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	34%	0.336	C	S	.	.			trans	-69.2	135.3	177.5	-64.2	176	0	0	0	111.9	V181 Y185 S515 F518 A519 I524 L526 F534	V181-L532 HydrophobicContact CG1-CB 3.9Å; V181-L532 HydrophobicContact CG1-CD1 4.45Å; V181-L532 HydrophobicContact CG1-CD2 4.29Å; V181-L532 HydrophobicContact CG1-CG 4.46Å; Y185-L532 HydrophobicContact CD2-CD2 3.79Å; Y185-L532 HydrophobicContact CE2-CD2 3.76Å; Y185-L532 HydrophobicContact CG-CD2 4.21Å; S515-L532 PolarHBondContact OG-N 3.04Å; F518-L532 HydrophobicContact CD1-CD1 3.6Å; F518-L532 HydrophobicContact CE1-CD1 4.17Å; F518-L532 HydrophobicContact CG-CD1 4.49Å; A519-L532 HydrophobicContact CB-CD2 4.36Å; A519-L532 HydrophobicContact CB-CG 4.41Å; I524-L532 HydrophobicContact CD1-CD2 4.24Å; I524-L532 HydrophobicContact CG2-CD2 4.14Å; L526-L532 HydrophobicContact CD2-CD2 3.79Å; L526-L532 HydrophobicContact CD2-CG 4.36Å; L532-F534 HydrophobicContact CB-CE2 4.07Å; L532-F534 HydrophobicContact CB-CZ 4.36Å; L532-F534 VanDerWaalsContact O-CD2 3.31Å; L532-F534 WeakPolarHBondContact O-CD2 3.41Å; L532-F534 PolarHBondContact O-N 3.16Å
533	K	91.2	Very high	91.4	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.517	32%	0.318	S	S	.	.			trans	-83.9	96.4	173.9	-74.1	-173.2	168.8	159.5	0	112.5	Y185 E529	Y185-K533 PolarHBondContact OH-N 3.48Å; E529-K533 WeakPolarHBondContact OE1-CE 3.29Å; E529-K533 IonicContact OE1-NZ 3.31Å; E529-K533 PolarHBondContact OE1-NZ 3.22Å; E529-K533 WeakPolarHBondContact OE2-CE 3.12Å; E529-K533 IonicContact OE2-NZ 2.58Å; E529-K533 PolarHBondContact OE2-NZ 3.08Å
534	F	94.8	Very high	91.5	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.118	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-71.6	142.6	170	-61.8	-89	0	0	0	111.4	A177 F178 V181 F505 R511 L532	A177-F534 HydrophobicContact CB-CD1 3.94Å; A177-F534 HydrophobicContact CB-CE1 3.95Å; F178-F534 HydrophobicContact CD1-CE1 4.41Å; F178-F534 AromaticContact CD1-CZ 3.97Å; F178-F534 HydrophobicContact CD1-CZ 3.97Å; F178-F534 HydrophobicContact CD2-CE1 4.37Å; F178-F534 HydrophobicContact CD2-CZ 4.5Å; F178-F534 AromaticContact CE1-CZ 3.81Å; F178-F534 HydrophobicContact CE1-CZ 3.81Å; F178-F534 HydrophobicContact CE2-CE1 4.46Å; F178-F534 HydrophobicContact CE2-CZ 4.31Å; F178-F534 HydrophobicContact CG-CE1 4.34Å; F178-F534 HydrophobicContact CG-CZ 4.34Å; F178-F534 AromaticContact CZ-CZ 3.99Å; F178-F534 HydrophobicContact CZ-CZ 3.99Å; V181-F534 HydrophobicContact CG2-CD1 3.75Å; V181-F534 HydrophobicContact CG2-CE1 4.2Å; V181-F534 HydrophobicContact CG2-CG 4.31Å; F505-F534 HydrophobicContact CE2-CD2 4.2Å; F505-F534 HydrophobicContact CE2-CE2 4.28Å; F505-F534 HydrophobicContact CE2-CG 4.49Å; F505-F534 HydrophobicContact CZ-CD2 4.14Å; F505-F534 HydrophobicContact CZ-CE1 4.33Å; F505-F534 AromaticContact CZ-CE2 3.77Å; F505-F534 HydrophobicContact CZ-CE2 3.77Å; F505-F534 AromaticContact CZ-CZ 3.87Å; F505-F534 HydrophobicContact CZ-CZ 3.87Å; R511-F534 HydrophobicContact CG-CD2 4.34Å; R511-F534 HydrophobicContact CG-CE2 4.44Å; L532-F534 HydrophobicContact CB-CE2 4.07Å; L532-F534 HydrophobicContact CB-CZ 4.36Å; L532-F534 VanDerWaalsContact O-CD2 3.31Å; L532-F534 WeakPolarHBondContact O-CD2 3.41Å; L532-F534 PolarHBondContact O-N 3.16Å
535	P	94.9	Very high	91.6	Very high	24 Å²	24	54 Å²	54	16%	0.156	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-62.8	144.8	172.6	27.7	-33.3	0	0	0	110.2	Y180 L499 F500 G501 L542	Y180-P535 HydrophobicContact CE1-CG 4.27Å; L499-P535 HydrophobicContact CG-CG 4.26Å; F500-P535 CarbonylContact C-O 3.57Å; F500-P535 VanDerWaalsContact CA-O 3.31Å; F500-P535 WeakPolarHBondContact CA-O 3.01Å; F500-P535 HydrophobicContact CD1-CB 4.14Å; F500-P535 HydrophobicContact CD1-CG 4.12Å; F500-P535 HydrophobicContact CE1-CB 4.43Å; G501-P535 PolarHBondContact N-O 2.81Å; P535-L542 HydrophobicContact CB-CD1 3.65Å
536	S	95.5	Very high	91.7	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-85.4	143.3	172	179.9	0	0	0	0	110.2	T502 W538 D539	T502-S536 PolarHBondContact OG1-OG 3.31Å; S536-W538 PolarHBondContact O-N 3.36Å; S536-W538 VanDerWaalsContact OG-CG 3.32Å; S536-W538 PolarHBondContact OG-N 2.84Å; S536-D539 PolarHBondContact O-N 2.65Å; S536-D539 VanDerWaalsContact O-N 3.12Å
537	V	96.8	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	173.2	75.3	0	0	0	0	112.3	S494 F500 T502 F503 D539 W540	S494-V537 VanDerWaalsContact CB-CG2 3.46Å; F500-V537 HydrophobicContact CB-CB 3.99Å; F500-V537 HydrophobicContact CD1-CB 4.39Å; F500-V537 HydrophobicContact CD2-CB 4.27Å; F500-V537 HydrophobicContact CD2-CG2 4.01Å; F500-V537 HydrophobicContact CE2-CG2 4.45Å; F500-V537 HydrophobicContact CG-CB 3.95Å; F500-V537 HydrophobicContact CG-CG2 4.21Å; T502-V537 HydrophobicContact CG2-CG1 3.71Å; T502-V537 PolarHBondContact OG1-N 2.73Å; F503-V537 HydrophobicContact CD2-CG1 4.42Å; F503-V537 HydrophobicContact CE2-CB 4.18Å; F503-V537 HydrophobicContact CE2-CG1 3.68Å; F503-V537 HydrophobicContact CE2-CG2 4.12Å; F503-V537 HydrophobicContact CZ-CG1 4.01Å; V537-D539 PolarHBondContact O-N 2.86Å; V537-W540 HydrophobicContact CG2-CH2 4.09Å; V537-W540 HydrophobicContact CG2-CZ3 4.32Å
538	W	97.2	Very high	92.3	Very high	21 Å²	21	48.3 Å²	48.3	8%	0.08	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.2	177.6	-47.8	140.5	0	0	0	113.2	T218 Q432 I435 Q436 L491 T502 F503 S536 W540	T218-W538 HydrophobicContact CG2-CG 4.02Å; Q432-W538 HydrophobicContact CB-CD2 3.81Å; Q432-W538 HydrophobicContact CB-CE3 3.76Å; Q432-W538 HydrophobicContact CB-CG 4.35Å; Q432-W538 HydrophobicContact CB-CH2 4.34Å; Q432-W538 HydrophobicContact CB-CZ2 4.4Å; Q432-W538 HydrophobicContact CB-CZ3 4.02Å; Q432-W538 HydrophobicContact CG-CD2 3.96Å; Q432-W538 HydrophobicContact CG-CE3 3.41Å; Q432-W538 VanDerWaalsContact CG-CE3 3.41Å; Q432-W538 HydrophobicContact CG-CH2 4.43Å; Q432-W538 HydrophobicContact CG-CZ3 3.68Å; I435-W538 HydrophobicContact CB-CH2 3.93Å; I435-W538 HydrophobicContact CB-CZ2 4.1Å; I435-W538 HydrophobicContact CD1-CH2 4.26Å; I435-W538 HydrophobicContact CG2-CH2 3.8Å; I435-W538 HydrophobicContact CG2-CZ2 3.95Å; Q436-W538 HydrophobicContact CB-CZ2 4.34Å; L491-W538 HydrophobicContact CD1-CH2 4.11Å; L491-W538 HydrophobicContact CD1-CZ3 3.66Å; T502-W538 HydrophobicContact CG2-CZ2 3.82Å; F503-W538 HydrophobicContact CZ-CH2 4.02Å; S536-W538 PolarHBondContact O-N 3.36Å; S536-W538 VanDerWaalsContact OG-CG 3.32Å; S536-W538 PolarHBondContact OG-N 2.84Å; W538-W540 HydrophobicContact CE3-CZ2 4.37Å; W538-W540 HydrophobicContact CZ3-CZ2 4.49Å; W538-W540 VanDerWaalsContact O-CD1 3.32Å; W538-W540 PolarHBondContact O-N 3.39Å
539	D	95.1	Very high	92.8	Very high	74 Å²	74	44.1 Å²	44.1	40%	0.396	22%	0.222	S	C	.	.			trans	-80.8	71.6	169.1	-171.7	4.9	0	0	0	110.6	S536 V537 S541 L542	S536-D539 PolarHBondContact O-N 2.65Å; S536-D539 VanDerWaalsContact O-N 3.12Å; V537-D539 PolarHBondContact O-N 2.86Å; D539-S541 PolarHBondContact O-N 3.33Å; D539-S541 WeakPolarHBondContact OD1-CB 3.48Å; D539-S541 PolarHBondContact OD1-N 3.35Å; D539-S541 PolarHBondContact OD1-OG 3.19Å; D539-L542 HydrophobicContact CB-CD1 4.07Å; D539-L542 HydrophobicContact CB-CG 4.31Å; D539-L542 WeakPolarHBondContact O-CB 3.39Å; D539-L542 PolarHBondContact O-N 3.41Å
540	W	95.6	Very high	93.2	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.061	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-59.9	-14.9	-179.4	-64.7	110.9	0	0	0	113.8	Q432 Y487 V490 L491 S494 V537 W538 L542 Q543 F544 R549 F552	Q432-W540 VanDerWaalsContact NE2-NE1 3.14Å; Y487-W540 HydrophobicContact CD2-CZ2 4.45Å; Y487-W540 AromaticContact CE2-CE2 3.89Å; Y487-W540 AromaticContact CE2-CZ2 3.65Å; Y487-W540 HydrophobicContact CE2-CZ2 3.65Å; Y487-W540 AromaticContact CE2-NE1 3.89Å; V490-W540 HydrophobicContact CG1-CH2 4.27Å; V490-W540 HydrophobicContact CG1-CZ3 3.79Å; L491-W540 HydrophobicContact CB-CH2 4.39Å; L491-W540 HydrophobicContact CD1-CH2 4.05Å; L491-W540 HydrophobicContact CD1-CZ2 4.12Å; S494-W540 WeakPolarHBondContact OG-CZ3 3.26Å; V537-W540 HydrophobicContact CG2-CH2 4.09Å; V537-W540 HydrophobicContact CG2-CZ3 4.32Å; W538-W540 HydrophobicContact CE3-CZ2 4.37Å; W538-W540 HydrophobicContact CZ3-CZ2 4.49Å; W538-W540 VanDerWaalsContact O-CD1 3.32Å; W538-W540 PolarHBondContact O-N 3.39Å; W540-L542 PolarHBondContact O-N 3.16Å; W540-Q543 PolarHBondContact O-N 3.32Å; W540-Q543 VanDerWaalsContact O-N 3.13Å; W540-F544 AromaticContact CE3-CD2 3.98Å; W540-F544 HydrophobicContact CE3-CD2 3.98Å; W540-F544 AromaticContact CE3-CE2 3.9Å; W540-F544 HydrophobicContact CE3-CE2 3.9Å; W540-F544 HydrophobicContact CZ3-CE2 4.05Å; W540-F544 PolarHBondContact O-N 3.08Å; W540-R549 HydrophobicContact CB-CG 4.23Å; W540-F552 HydrophobicContact CB-CE2 4.07Å; W540-F552 AromaticContact CD2-CE2 3.55Å; W540-F552 HydrophobicContact CD2-CE2 3.55Å; W540-F552 HydrophobicContact CD2-CZ 4.14Å; W540-F552 AromaticContact CE3-CE2 3.82Å; W540-F552 HydrophobicContact CE3-CE2 3.82Å; W540-F552 AromaticContact CE3-CZ 3.93Å; W540-F552 HydrophobicContact CE3-CZ 3.93Å; W540-F552 HydrophobicContact CG-CD2 4.43Å; W540-F552 AromaticContact CG-CE2 3.66Å; W540-F552 HydrophobicContact CG-CE2 3.66Å; W540-F552 HydrophobicContact CZ3-CE2 4.47Å; W540-F552 HydrophobicContact CZ3-CZ 4.29Å
541	S	95.1	Very high	93.8	Very high	52 Å²	52	35.7 Å²	35.7	36%	0.364	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-62.9	-25	173.5	79.9	0	0	0	0	113.1	L93 D539 Q543	L93-S541 WeakPolarHBondContact CD1-O 3.36Å; D539-S541 PolarHBondContact O-N 3.33Å; D539-S541 WeakPolarHBondContact OD1-CB 3.48Å; D539-S541 PolarHBondContact OD1-N 3.35Å; D539-S541 PolarHBondContact OD1-OG 3.19Å; S541-Q543 VanDerWaalsContact C-N 3.29Å
542	L	94.1	Very high	94.1	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.246	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-73.3	-24.1	176.3	-63.4	175.1	0	0	0	112.4	L94 F500 P535 D539 W540	L94-L542 WeakPolarHBondContact CD2-O 3.34Å; L94-L542 WeakPolarHBondContact CG-O 3.26Å; F500-L542 HydrophobicContact CE1-CB 4.32Å; F500-L542 HydrophobicContact CE1-CD1 4.05Å; P535-L542 HydrophobicContact CB-CD1 3.65Å; D539-L542 HydrophobicContact CB-CD1 4.07Å; D539-L542 HydrophobicContact CB-CG 4.31Å; D539-L542 WeakPolarHBondContact O-CB 3.39Å; D539-L542 PolarHBondContact O-N 3.41Å; W540-L542 PolarHBondContact O-N 3.16Å
543	Q	94.5	Very high	94.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-33.4	-176.4	-62.7	-167.9	75.5	0	0	112.9	N92 L93 L94 S494 F500 W540 S541	N92-Q543 CarbonylContact C-O 3.58Å; N92-Q543 VanDerWaalsContact CA-O 3.3Å; N92-Q543 WeakPolarHBondContact CA-O 3.42Å; L93-Q543 PolarHBondContact N-O 3.48Å; L94-Q543 HydrophobicContact CD1-CG 3.82Å; L94-Q543 HydrophobicContact CG-CG 4.5Å; S494-Q543 PolarHBondContact OG-NE2 2.79Å; S494-Q543 VanDerWaalsContact OG-NE2 3.08Å; S494-Q543 PolarHBondContact OG-OE1 2.61Å; F500-Q543 HydrophobicContact CE1-CG 4.46Å; F500-Q543 HydrophobicContact CE2-CG 3.82Å; F500-Q543 VanDerWaalsContact CZ-CD 3.5Å; F500-Q543 HydrophobicContact CZ-CG 3.39Å; W540-Q543 PolarHBondContact O-N 3.32Å; W540-Q543 VanDerWaalsContact O-N 3.13Å; S541-Q543 VanDerWaalsContact C-N 3.29Å
544	F	94.9	Very high	94.3	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.035	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-140.7	147.8	-167.3	-58.9	-70.9	0	0	0	112.6	Y90 N92 V490 W540 D548 R549 F552	Y90-F544 AromaticContact CD2-CD1 3.94Å; Y90-F544 HydrophobicContact CD2-CD1 3.94Å; Y90-F544 AromaticContact CD2-CE1 3.55Å; Y90-F544 HydrophobicContact CD2-CE1 3.55Å; Y90-F544 HydrophobicContact CE2-CD1 4.42Å; Y90-F544 AromaticContact CE2-CE1 3.6Å; Y90-F544 HydrophobicContact CE2-CE1 3.6Å; Y90-F544 HydrophobicContact CE2-CZ 4.5Å; N92-F544 HydrophobicContact CB-CE1 4.23Å; V490-F544 HydrophobicContact CG1-CE2 3.39Å; V490-F544 HydrophobicContact CG1-CZ 3.49Å; V490-F544 VanDerWaalsContact CG1-CZ 3.49Å; V490-F544 HydrophobicContact CG2-CZ 4.41Å; W540-F544 AromaticContact CE3-CD2 3.98Å; W540-F544 HydrophobicContact CE3-CD2 3.98Å; W540-F544 AromaticContact CE3-CE2 3.9Å; W540-F544 HydrophobicContact CE3-CE2 3.9Å; W540-F544 HydrophobicContact CZ3-CE2 4.05Å; W540-F544 PolarHBondContact O-N 3.08Å; F544-D548 HydrophobicContact CB-CB 4.24Å; F544-R549 HydrophobicContact CB-CG 3.81Å; F544-F552 HydrophobicContact CD2-CE2 4.41Å; F544-F552 AromaticContact CD2-CZ 3.73Å; F544-F552 HydrophobicContact CD2-CZ 3.73Å; F544-F552 AromaticContact CE2-CZ 3.89Å; F544-F552 HydrophobicContact CE2-CZ 3.89Å; F544-F552 HydrophobicContact CG-CZ 4.49Å
545	T	92.8	Very high	94.2	Very high	46 Å²	46	33.4 Å²	33.4	28%	0.282	18%	0.177	S	C	.	.			trans	-65.6	160.7	174	71.2	0	0	0	0	111.4	L93 K547 D548 R549	L93-T545 HydrophobicContact CD2-CG2 4.14Å; T545-K547 PolarHBondContact O-N 3.4Å; T545-D548 PolarHBondContact O-N 2.83Å; T545-D548 PolarHBondContact OG1-N 2.76Å; T545-D548 VanDerWaalsContact OG1-N 3.12Å; T545-D548 PolarHBondContact OG1-OD2 2.89Å; T545-R549 WeakPolarHBondContact O-CG 3.31Å; T545-R549 PolarHBondContact O-N 2.75Å
546	A	91.4	Very high	94	Very high	42 Å²	42	35.7 Å²	35.7	35%	0.347	19%	0.185	S	C	.	.	H	α-helix	trans	-56.3	-38.6	175.5	0	0	0	0	0	112.5
547	K	90.7	Very high	93.8	Very high	117 Å²	117	37.4 Å²	37.4	51%	0.509	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-51.6	174.7	-177.1	-175.5	176.9	-175.1	0	111	T545 R549 T550 Y717	T545-K547 PolarHBondContact O-N 3.4Å; K547-R549 VanDerWaalsContact C-N 3.3Å; K547-R549 PolarHBondContact O-N 3.2Å; K547-T550 WeakPolarHBondContact O-CB 3Å; K547-T550 WeakPolarHBondContact O-CG2 3.46Å; K547-T550 PolarHBondContact O-N 2.72Å; K547-T550 PolarHBondContact O-OG1 3.27Å; K547-Y717 HydrophobicContact CG-CD2 4.34Å; K547-Y717 HydrophobicContact CG-CE2 4.32Å
548	D	92.6	Very high	93.2	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-31.9	-174.7	-62.3	-35.9	0	0	0	112.6	R91 F544 T545 T550 L551	R91-D548 PolarHBondContact N-OD2 2.94Å; F544-D548 HydrophobicContact CB-CB 4.24Å; T545-D548 PolarHBondContact O-N 2.83Å; T545-D548 PolarHBondContact OG1-N 2.76Å; T545-D548 VanDerWaalsContact OG1-N 3.12Å; T545-D548 PolarHBondContact OG1-OD2 2.89Å; D548-T550 PolarHBondContact O-N 3.3Å; D548-T550 VanDerWaalsContact O-N 3.17Å; D548-L551 VanDerWaalsContact O-CB 3.23Å; D548-L551 WeakPolarHBondContact O-CB 3.4Å; D548-L551 WeakPolarHBondContact O-CG 3.2Å; D548-L551 PolarHBondContact O-N 2.89Å
549	R	93.8	Very high	92.3	Very high	84 Å²	84	39.2 Å²	39.2	32%	0.317	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-21.2	174	-69	-175.6	-52.3	-156.7	2.8	113.6	W540 F544 T545 K547 L551 F552	W540-R549 HydrophobicContact CB-CG 4.23Å; F544-R549 HydrophobicContact CB-CG 3.81Å; T545-R549 WeakPolarHBondContact O-CG 3.31Å; T545-R549 PolarHBondContact O-N 2.75Å; K547-R549 VanDerWaalsContact C-N 3.3Å; K547-R549 PolarHBondContact O-N 3.2Å; R549-L551 PolarHBondContact O-N 3.34Å; R549-F552 HydrophobicContact CG-CE2 4.37Å; R549-F552 VanDerWaalsContact O-CB 3.32Å; R549-F552 WeakPolarHBondContact O-CB 3.39Å; R549-F552 PolarHBondContact O-N 3.11Å
550	T	93.5	Very high	90.9	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.1	173.9	65.8	0	0	0	0	112.4	K547 D548 F552 H553 Y717	K547-T550 WeakPolarHBondContact O-CB 3Å; K547-T550 WeakPolarHBondContact O-CG2 3.46Å; K547-T550 PolarHBondContact O-N 2.72Å; K547-T550 PolarHBondContact O-OG1 3.27Å; D548-T550 PolarHBondContact O-N 3.3Å; D548-T550 VanDerWaalsContact O-N 3.17Å; T550-F552 PolarHBondContact O-N 3.34Å; T550-H553 PolarHBondContact O-N 2.71Å; T550-H553 VanDerWaalsContact O-N 3.1Å; T550-Y717 WeakPolarHBondContact OG1-CA 2.98Å; T550-Y717 VanDerWaalsContact OG1-CB 3.27Å; T550-Y717 WeakPolarHBondContact OG1-CB 3.19Å; T550-Y717 PolarHBondContact OG1-N 2.94Å
551	L	93.9	Very high	88.9	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.6	-19.5	173.2	-68.1	164.3	0	0	0	113	S484 T486 D548 R549 H553 Y717 F739 P740	S484-L551 WeakPolarHBondContact CB-O 3.36Å; S484-L551 PolarHBondContact OG-O 3.24Å; T486-L551 HydrophobicContact CG2-CB 4.25Å; D548-L551 VanDerWaalsContact O-CB 3.23Å; D548-L551 WeakPolarHBondContact O-CB 3.4Å; D548-L551 WeakPolarHBondContact O-CG 3.2Å; D548-L551 PolarHBondContact O-N 2.89Å; R549-L551 PolarHBondContact O-N 3.34Å; L551-H553 PolarHBondContact O-N 2.71Å; L551-Y717 HydrophobicContact CD1-CD2 3.82Å; L551-Y717 HydrophobicContact CD1-CE2 3.79Å; L551-Y717 HydrophobicContact CD1-CG 4.43Å; L551-Y717 HydrophobicContact CD2-CD1 3.82Å; L551-Y717 HydrophobicContact CD2-CD2 3.69Å; L551-Y717 HydrophobicContact CD2-CE1 4.39Å; L551-Y717 HydrophobicContact CD2-CE2 4.23Å; L551-Y717 HydrophobicContact CD2-CG 3.43Å; L551-Y717 VanDerWaalsContact CD2-CG 3.43Å; L551-Y717 HydrophobicContact CG-CD2 3.44Å; L551-Y717 VanDerWaalsContact CG-CD2 3.44Å; L551-Y717 HydrophobicContact CG-CE2 3.96Å; L551-Y717 HydrophobicContact CG-CG 3.73Å; L551-F739 HydrophobicContact CD2-CE1 3.6Å; L551-F739 HydrophobicContact CD2-CZ 3.94Å; L551-P740 HydrophobicContact CD1-CB 3.86Å; L551-P740 HydrophobicContact CD1-CG 4.01Å
552	F	95.6	Very high	86.9	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.039	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-73.5	-19.3	176.9	-62.7	-11.5	0	0	0	112.5	I428 F483 S484 Y487 V490 W540 F544 R549 T550	I428-F552 HydrophobicContact CD1-CB 4.21Å; F483-F552 CarbonylContact C-O 3.59Å; F483-F552 VanDerWaalsContact CA-O 3.23Å; F483-F552 WeakPolarHBondContact CA-O 3.3Å; S484-F552 PolarHBondContact N-O 3.07Å; S484-F552 PolarHBondContact OG-O 2.72Å; Y487-F552 HydrophobicContact CD2-CB 3.94Å; Y487-F552 HydrophobicContact CD2-CD1 4.1Å; Y487-F552 AromaticContact CD2-CD2 3.72Å; Y487-F552 HydrophobicContact CD2-CD2 3.72Å; Y487-F552 HydrophobicContact CD2-CE2 4.19Å; Y487-F552 AromaticContact CD2-CG 3.67Å; Y487-F552 HydrophobicContact CD2-CG 3.67Å; Y487-F552 HydrophobicContact CE2-CD2 4.32Å; Y487-F552 HydrophobicContact CG-CB 4.31Å; Y487-F552 HydrophobicContact CG-CG 4.35Å; V490-F552 HydrophobicContact CB-CE1 4.11Å; V490-F552 HydrophobicContact CB-CZ 4.46Å; V490-F552 HydrophobicContact CG1-CE1 3.97Å; V490-F552 HydrophobicContact CG1-CZ 3.85Å; V490-F552 HydrophobicContact CG2-CE1 4.2Å; W540-F552 HydrophobicContact CB-CE2 4.07Å; W540-F552 AromaticContact CD2-CE2 3.55Å; W540-F552 HydrophobicContact CD2-CE2 3.55Å; W540-F552 HydrophobicContact CD2-CZ 4.14Å; W540-F552 AromaticContact CE3-CE2 3.82Å; W540-F552 HydrophobicContact CE3-CE2 3.82Å; W540-F552 AromaticContact CE3-CZ 3.93Å; W540-F552 HydrophobicContact CE3-CZ 3.93Å; W540-F552 HydrophobicContact CG-CD2 4.43Å; W540-F552 AromaticContact CG-CE2 3.66Å; W540-F552 HydrophobicContact CG-CE2 3.66Å; W540-F552 HydrophobicContact CZ3-CE2 4.47Å; W540-F552 HydrophobicContact CZ3-CZ 4.29Å; F544-F552 HydrophobicContact CD2-CE2 4.41Å; F544-F552 AromaticContact CD2-CZ 3.73Å; F544-F552 HydrophobicContact CD2-CZ 3.73Å; F544-F552 AromaticContact CE2-CZ 3.89Å; F544-F552 HydrophobicContact CE2-CZ 3.89Å; F544-F552 HydrophobicContact CG-CZ 4.49Å; R549-F552 HydrophobicContact CG-CE2 4.37Å; R549-F552 VanDerWaalsContact O-CB 3.32Å; R549-F552 WeakPolarHBondContact O-CB 3.39Å; R549-F552 PolarHBondContact O-N 3.11Å; T550-F552 PolarHBondContact O-N 3.34Å
553	H	94.5	Very high	84.5	Confident	72 Å²	72	46.8 Å²	46.8	33%	0.333	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-85.9	135	178.8	-66.8	-79.4	0	0	0	111.1	I428 E482 T550 L551	I428-H553 VanDerWaalsContact CD1-CE1 3.42Å; I428-H553 WeakPolarHBondContact CD1-CE1 3.41Å; E482-H553 WeakPolarHBondContact O-CA 3.27Å; E482-H553 IonicContact OE1-CE1 2.72Å; E482-H553 IonicContact OE1-ND1 3.55Å; T550-H553 PolarHBondContact O-N 2.71Å; T550-H553 VanDerWaalsContact O-N 3.1Å; L551-H553 PolarHBondContact O-N 2.71Å
554	N	93.8	Very high	82.1	Confident	14 Å²	14	48.5 Å²	48.5	8%	0.075	26%	0.258	C	S	.	.			trans	-88.6	115.2	176.2	177.9	9	0	0	0	110.2	P478 F481 E482 F556 Y557	P478-N554 PolarHBondContact O-ND2 2.76Å; F481-N554 WeakPolarHBondContact O-CB 3.29Å; F481-N554 PolarHBondContact O-ND2 2.89Å; E482-N554 WeakPolarHBondContact O-CB 3.46Å; E482-N554 PolarHBondContact O-N 3.49Å; N554-F556 PolarHBondContact O-N 2.72Å; N554-F556 WeakPolarHBondContact OD1-CB 3.43Å; N554-F556 VanDerWaalsContact OD1-CD2 3.26Å; N554-F556 WeakPolarHBondContact OD1-CD2 3.42Å; N554-F556 PolarHBondContact OD1-N 2.83Å; N554-Y557 VanDerWaalsContact O-CB 3.28Å; N554-Y557 WeakPolarHBondContact O-CB 3.35Å; N554-Y557 PolarHBondContact O-N 3.2Å; N554-Y557 VanDerWaalsContact O-N 3.09Å
555	P	91.8	Very high	79.5	Confident	18 Å²	18	54.1 Å²	54.1	12%	0.117	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	-179.5	29	-35.7	0	0	0	113.1	Y557 F679 L682 M716	P555-Y557 VanDerWaalsContact C-N 3.29Å; P555-F679 HydrophobicContact CG-CD2 3.74Å; P555-F679 HydrophobicContact CG-CE2 3.79Å; P555-F679 HydrophobicContact CG-CG 4.29Å; P555-F679 HydrophobicContact CG-CZ 4.36Å; P555-L682 HydrophobicContact CB-CB 4.27Å; P555-L682 HydrophobicContact CG-CB 4.3Å; P555-M716 HydrophobicContact CB-SD 4.18Å
556	F	90.2	Very high	76.7	Confident	72 Å²	72	55.2 Å²	55.2	32%	0.316	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.2	175.1	-65.8	-97	0	0	0	113.1	P478 A479 N554 I558 A678 L682	P478-F556 HydrophobicContact CB-CB 4.07Å; P478-F556 HydrophobicContact CB-CD1 4.5Å; P478-F556 HydrophobicContact CB-CG 4.22Å; A479-F556 VanDerWaalsContact CA-O 3.26Å; A479-F556 WeakPolarHBondContact CA-O 3.32Å; A479-F556 WeakPolarHBondContact CB-O 3.39Å; N554-F556 PolarHBondContact O-N 2.72Å; N554-F556 WeakPolarHBondContact OD1-CB 3.43Å; N554-F556 VanDerWaalsContact OD1-CD2 3.26Å; N554-F556 WeakPolarHBondContact OD1-CD2 3.42Å; N554-F556 PolarHBondContact OD1-N 2.83Å; F556-I558 PolarHBondContact O-N 3.15Å; F556-A678 HydrophobicContact CZ-CB 4.48Å; F556-L682 HydrophobicContact CD1-CD1 3.6Å; F556-L682 HydrophobicContact CD2-CD1 4.08Å; F556-L682 HydrophobicContact CE1-CD1 3.01Å; F556-L682 HydrophobicContact CE1-CG 4.48Å; F556-L682 HydrophobicContact CE2-CD1 3.55Å; F556-L682 HydrophobicContact CG-CD1 4.13Å; F556-L682 HydrophobicContact CZ-CD1 3Å; F556-L682 HydrophobicContact CZ-CG 4.47Å
557	Y	91.4	Very high	74.3	Confident	62 Å²	62	60.6 Å²	60.6	24%	0.243	31%	0.312	C	S	.	.			trans	-63.9	126.5	-172	-180	-127.7	0	0	0	112.7	F481 E482 N554 P555	F481-Y557 WeakPolarHBondContact O-CB 3.4Å; F481-Y557 WeakPolarHBondContact O-CD2 3.4Å; E482-Y557 HydrophobicContact CB-CD1 3.77Å; E482-Y557 HydrophobicContact CB-CD2 4.35Å; E482-Y557 HydrophobicContact CB-CE1 3.73Å; E482-Y557 HydrophobicContact CB-CE2 4.34Å; E482-Y557 HydrophobicContact CB-CG 4.08Å; E482-Y557 HydrophobicContact CG-CD1 3.84Å; E482-Y557 HydrophobicContact CG-CE1 3.9Å; N554-Y557 VanDerWaalsContact O-CB 3.28Å; N554-Y557 WeakPolarHBondContact O-CB 3.35Å; N554-Y557 PolarHBondContact O-N 3.2Å; N554-Y557 VanDerWaalsContact O-N 3.09Å; P555-Y557 VanDerWaalsContact C-N 3.29Å
558	I	85.3	Confident	72	Confident	48 Å²	48	58.5 Å²	58.5	25%	0.246	32%	0.324	C	S	.	.			trans	-105.1	104.8	171.3	-58.3	174.6	0	0	0	107.1	A479 F556 F573 L641 H642	A479-I558 HydrophobicContact CB-CD1 4.15Å; A479-I558 HydrophobicContact CB-CG1 4.21Å; A479-I558 PolarHBondContact O-N 3.46Å; F556-I558 PolarHBondContact O-N 3.15Å; I558-F573 HydrophobicContact CG2-CD2 4.24Å; I558-F573 HydrophobicContact CG2-CE2 4.32Å; I558-L641 HydrophobicContact CB-CD1 4.28Å; I558-L641 HydrophobicContact CD1-CD1 3.99Å; I558-H642 PolarHBondContact O-CE1 3.47Å; I558-H642 PolarHBondContact O-NE2 2.71Å
559	G	77.2	Confident	69.3	Low	11 Å²	11	60.8 Å²	60.8	11%	0.113	34%	0.341	C	S	.	.			trans	-75.4	160.1	178	0	0	0	0	0	114	S561 T562 H642	G559-S561 PolarHBondContact O-N 3.23Å; G559-S561 VanDerWaalsContact O-N 3.11Å; G559-T562 PolarHBondContact N-OG1 2.85Å; G559-T562 PolarHBondContact O-N 2.95Å; G559-T562 PolarHBondContact O-OG1 3.19Å; G559-H642 VanDerWaalsContact C-CE1 3.49Å
560	K	65.3	Low	66.9	Low	122 Å²	122	60.7 Å²	60.7	53%	0.53	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.6	179.5	-70.4	-175.8	179.6	179.9	0	113.3	H642	K560-H642 WeakPolarHBondContact CA-NE2 3.42Å; K560-H642 HydrophobicContact CG-CB 4.31Å; K560-H642 PolarHBondContact N-CE1 3.46Å; K560-H642 VanDerWaalsContact N-CE1 3.3Å; K560-H642 PolarHBondContact N-NE2 3.26Å
561	S	54.3	Low	64.2	Low	105 Å²	105	66.6 Å²	66.6	73%	0.734	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	4.7	-177.1	-57.1	0	0	0	0	113.7	G559 P563	G559-S561 PolarHBondContact O-N 3.23Å; G559-S561 VanDerWaalsContact O-N 3.11Å; S561-P563 VanDerWaalsContact O-CD 3.31Å; S561-P563 WeakPolarHBondContact O-CD 2.83Å; S561-P563 VanDerWaalsContact O-N 3.15Å
562	T	52.4	Low	61.7	Low	60 Å²	60	69.5 Å²	69.5	37%	0.368	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.9	120.4	178.4	-57.8	0	0	0	0	108.9	G559 C564 F573	G559-T562 PolarHBondContact N-OG1 2.85Å; G559-T562 PolarHBondContact O-N 2.95Å; G559-T562 PolarHBondContact O-OG1 3.19Å; T562-C564 PolarHBondContact O-N 2.8Å; T562-F573 PolarHBondContact O-N 3.38Å
563	P	45.4	Very low	58.9	Low	61 Å²	61	73.2 Å²	73.2	40%	0.396	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.1	179	23.3	-30.3	0	0	0	109.8	S561 V570	S561-P563 VanDerWaalsContact O-CD 3.31Å; S561-P563 WeakPolarHBondContact O-CD 2.83Å; S561-P563 VanDerWaalsContact O-N 3.15Å; P563-V570 HydrophobicContact CB-CG1 3.49Å; P563-V570 VanDerWaalsContact CB-CG1 3.49Å
564	C	43.1	Very low	56.2	Low	37 Å²	37	77.8 Å²	77.8	25%	0.25	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.9	166.6	-178.9	0	0	0	0	107.7	T562 Q566 K571 F573	T562-C564 PolarHBondContact O-N 2.8Å; C564-Q566 PolarHBondContact O-N 2.93Å; C564-K571 PolarHBondContact N-O 3.04Å; C564-K571 PolarHBondContact O-N 3.05Å; C564-F573 HydrophobicContact CB-CD2 3.93Å; C564-F573 HydrophobicContact CB-CE2 4.47Å
565	I	40.9	Very low	53.6	Low	126 Å²	126	83.8 Å²	83.8	65%	0.646	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.3	171.4	-59	175	0	0	0	107.2
566	Q	33.9	Very low	50.7	Low	69 Å²	69	86.2 Å²	86.2	32%	0.322	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.8	165.1	-72.3	-166.5	-0.2	0	0	108.6	C564 G568 S569 T576	C564-Q566 PolarHBondContact O-N 2.93Å; Q566-G568 VanDerWaalsContact C-N 3.34Å; Q566-G568 PolarHBondContact O-N 3.28Å; Q566-S569 PolarHBondContact N-O 3.33Å; Q566-S569 PolarHBondContact O-N 3.5Å; Q566-S569 VanDerWaalsContact O-N 3.1Å; Q566-T576 PolarHBondContact NE2-OG1 2.82Å; Q566-T576 PolarHBondContact OE1-OG1 3.13Å; Q566-T576 VanDerWaalsContact OE1-OG1 3.06Å
567	N	40.3	Very low	48	Very low	155 Å²	155	93.1 Å²	93.1	83%	0.829	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	51.5	176.6	-64.8	5.8	0	0	0	113.5	S569	N567-S569 VanDerWaalsContact C-N 3.26Å; N567-S569 PolarHBondContact O-N 3.16Å
568	G	42	Very low	45.2	Very low	73 Å²	73	96 Å²	96	75%	0.753	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-4.2	175.9	0	0	0	0	0	116.3	Q566	Q566-G568 VanDerWaalsContact C-N 3.34Å; Q566-G568 PolarHBondContact O-N 3.28Å
569	S	37.3	Very low	42.4	Very low	59 Å²	59	99.4 Å²	99.4	41%	0.413	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.5	175.6	-174.8	0	0	0	0	111.7	Q566 N567 K571	Q566-S569 PolarHBondContact N-O 3.33Å; Q566-S569 PolarHBondContact O-N 3.5Å; Q566-S569 VanDerWaalsContact O-N 3.1Å; N567-S569 VanDerWaalsContact C-N 3.26Å; N567-S569 PolarHBondContact O-N 3.16Å; S569-K571 PolarHBondContact O-N 3.44Å
570	V	41.9	Very low	40.4	Very low	81 Å²	81	108.1 Å²	108.1	49%	0.491	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	112.3	172.9	177.4	0	0	0	0	108.4	P563	P563-V570 HydrophobicContact CB-CG1 3.49Å; P563-V570 VanDerWaalsContact CB-CG1 3.49Å
571	K	37.7	Very low	38.7	Very low	142 Å²	142	107.3 Å²	107.3	62%	0.617	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.5	154.1	168	-72.4	-177.7	176.1	176.4	0	109.5	C564 S569	C564-K571 PolarHBondContact N-O 3.04Å; C564-K571 PolarHBondContact O-N 3.05Å; S569-K571 PolarHBondContact O-N 3.44Å
572	S	41.2	Very low	37.6	Very low	64 Å²	64	108.1 Å²	108.1	45%	0.448	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-57.8	154.9	165.6	64.5	0	0	0	0	109.5	K574	S572-K574 VanDerWaalsContact C-N 3.25Å; S572-K574 PolarHBondContact O-N 2.98Å
573	F	37.7	Very low	36.7	Very low	86 Å²	86	110.9 Å²	110.9	38%	0.377	60%	0.6	S	S	.	*	S	Bend	trans	-61	84.4	-177.8	-153	-85.3	0	0	0	111.2	I558 T562 C564	I558-F573 HydrophobicContact CG2-CD2 4.24Å; I558-F573 HydrophobicContact CG2-CE2 4.32Å; T562-F573 PolarHBondContact O-N 3.38Å; C564-F573 HydrophobicContact CB-CD2 3.93Å; C564-F573 HydrophobicContact CB-CE2 4.47Å
574	K	35.9	Very low	36.1	Very low	169 Å²	169	116.4 Å²	116.4	74%	0.735	63%	0.626	S	S	*	*			trans	-108.5	103.1	165.1	-75.3	-170	177.3	-176.7	0	106.4	S572 T576	S572-K574 VanDerWaalsContact C-N 3.25Å; S572-K574 PolarHBondContact O-N 2.98Å; K574-T576 PolarHBondContact O-N 3.12Å
575	R	39.2	Very low	35.4	Very low	140 Å²	140	127 Å²	127	53%	0.528	66%	0.661	S	S	.	*			trans	-60.9	107.4	176.4	-168.7	179	-167.8	174.5	2.2	108.7	K577 N593	R575-K577 PolarHBondContact O-N 3.32Å; R575-N593 PolarHBondContact NH2-ND2 3.01Å; R575-N593 VanDerWaalsContact NH2-ND2 3.19Å
576	T	31.9	Very low	35	Very low	69 Å²	69	124.5 Å²	124.5	42%	0.423	67%	0.665	S	S	.	*			trans	-67.7	126	163.6	35.9	0	0	0	0	107.7	Q566 K574 K578	Q566-T576 PolarHBondContact NE2-OG1 2.82Å; Q566-T576 PolarHBondContact OE1-OG1 3.13Å; Q566-T576 VanDerWaalsContact OE1-OG1 3.06Å; K574-T576 PolarHBondContact O-N 3.12Å; T576-K578 PolarHBondContact O-N 2.9Å
577	K	33.7	Very low	34.9	Very low	216 Å²	216	129.8 Å²	129.8	94%	0.939	69%	0.692	S	S	*	*			trans	-62.1	83.5	165.8	-83.1	-176.4	176	177.7	0	107.4	R575 S579	R575-K577 PolarHBondContact O-N 3.32Å; K577-S579 PolarHBondContact O-N 3.03Å
578	K	32.3	Very low	34.6	Very low	122 Å²	122	127.7 Å²	127.7	53%	0.53	69%	0.687	S	S	.	*			trans	-83.8	112.6	167.3	-79	-170.2	177	-178.4	0	107.9	T576 Y580	T576-K578 PolarHBondContact O-N 2.9Å; K578-Y580 WeakPolarHBondContact O-CD2 3.32Å; K578-Y580 PolarHBondContact O-N 2.58Å
579	S	27.2	Very low	34.3	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	68%	0.681	S	S	*	*			trans	-60.1	115.8	161.1	-166.8	0	0	0	0	106.9	K577	K577-S579 PolarHBondContact O-N 3.03Å
580	Y	34.8	Very low	34.5	Very low	194 Å²	194	128.5 Å²	128.5	76%	0.761	69%	0.685	S	S	*	*			trans	-83.5	114.4	176.4	-81.8	-92.9	0	0	0	108.3	K578 S582	K578-Y580 WeakPolarHBondContact O-CD2 3.32Å; K578-Y580 PolarHBondContact O-N 2.58Å; Y580-S582 PolarHBondContact O-N 2.99Å
581	S	28.4	Very low	34	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	69%	0.692	S	S	*	*			trans	-65.9	126.7	164.2	-61.4	0	0	0	0	109.3	T583	S581-T583 VanDerWaalsContact C-N 3.34Å; S581-T583 PolarHBondContact O-N 3.4Å
582	S	32.5	Very low	34.2	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	69%	0.692	S	S	*	*	S	Bend	trans	-78.4	72.2	-175.2	57.8	0	0	0	0	112.2	Y580	Y580-S582 PolarHBondContact O-N 2.99Å
583	T	33.7	Very low	34.3	Very low	118 Å²	118	132 Å²	132	72%	0.724	70%	0.695	S	S	*	*			trans	-144.9	64	171.3	52.6	0	0	0	0	111.9	S581	S581-T583 VanDerWaalsContact C-N 3.34Å; S581-T583 PolarHBondContact O-N 3.4Å
584	L	31.7	Very low	34.6	Very low	177 Å²	177	129.3 Å²	129.3	93%	0.927	69%	0.692	S	S	*	*			trans	-144.7	110.4	153.7	-77.3	-179.6	0	0	0	109.3
585	R	29.8	Very low	34.9	Very low	261 Å²	261	124 Å²	124	99%	0.985	67%	0.671	S	S	*	*			trans	-74.6	118.6	163.2	-67.8	-174.8	-173.5	-162.1	2.8	107.1
586	G	32.3	Very low	35	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	68%	0.676	S	S	*	*			trans	167	104.3	173.3	0	0	0	0	0	113.5
587	M	31	Very low	35.2	Very low	180 Å²	180	122.6 Å²	122.6	89%	0.887	67%	0.674	S	S	*	*			trans	40.8	131.2	166.7	-74.4	-68.1	-101.6	0	0	120.6	S589	M587-S589 PolarHBondContact O-N 3.17Å
588	P	35	Very low	35.7	Very low	111 Å²	111	117 Å²	117	72%	0.721	66%	0.655	S	S	*	*			trans	-75.4	116	-179.1	12.3	1.5	0	0	0	110.9	A590	P588-A590 PolarHBondContact O-N 3.17Å
589	S	35.5	Very low	35.8	Very low	91 Å²	91	118.7 Å²	118.7	64%	0.636	66%	0.664	S	S	*	*			trans	-76.2	109.1	163.4	48.9	0	0	0	0	109	M587 L591	M587-S589 PolarHBondContact O-N 3.17Å; S589-L591 PolarHBondContact O-N 3.16Å
590	A	40.7	Very low	36.1	Very low	59 Å²	59	120.3 Å²	120.3	49%	0.488	66%	0.658	S	S	.	*	S	Bend	trans	-64.1	-2.9	-178.2	0	0	0	0	0	114.8	P588	P588-A590 PolarHBondContact O-N 3.17Å
591	L	32.8	Very low	36	Very low	122 Å²	122	116.6 Å²	116.6	64%	0.639	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.1	92.4	179.2	-73.2	164.1	0	0	0	109.9	S589	S589-L591 PolarHBondContact O-N 3.16Å
592	K	40.7	Very low	36.1	Very low	143 Å²	143	118.1 Å²	118.1	62%	0.622	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.5	105	169.8	-147.5	174.7	-172.9	176.2	0	108.6	G594	K592-G594 PolarHBondContact O-N 3.38Å
593	N	43.9	Very low	36.1	Very low	96 Å²	96	115.7 Å²	115.7	51%	0.513	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	58.7	40.1	175	-60.4	-13.3	0	0	0	116	R575 I595	R575-N593 PolarHBondContact NH2-ND2 3.01Å; R575-N593 VanDerWaalsContact NH2-ND2 3.19Å; N593-I595 VanDerWaalsContact C-N 3.3Å; N593-I595 PolarHBondContact O-N 3.02Å
594	G	42.9	Very low	35.8	Very low	29 Å²	29	121.7 Å²	121.7	30%	0.299	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	75	14.6	173.8	0	0	0	0	0	115.2	K592	K592-G594 PolarHBondContact O-N 3.38Å
595	I	42.1	Very low	35.9	Very low	58 Å²	58	125 Å²	125	30%	0.297	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	175.3	-55.8	173.6	0	0	0	108.2	N593 S597 A639	N593-I595 VanDerWaalsContact C-N 3.3Å; N593-I595 PolarHBondContact O-N 3.02Å; I595-S597 PolarHBondContact O-N 2.77Å; I595-A639 HydrophobicContact CD1-CB 3.87Å
596	I	41.7	Very low	35.9	Very low	124 Å²	124	120.2 Å²	120.2	64%	0.636	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.2	114.5	168	-60.1	172	0	0	0	107.3
597	S	37.1	Very low	36	Very low	55 Å²	55	118.7 Å²	118.7	39%	0.385	61%	0.613	S	S	.	*			trans	-79.5	138.6	176.8	60.4	0	0	0	0	111.5	I595 Q599	I595-S597 PolarHBondContact O-N 2.77Å; S597-Q599 PolarHBondContact O-N 2.76Å
598	D	43.6	Very low	36	Very low	99 Å²	99	118.5 Å²	118.5	53%	0.529	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-58.8	-4.1	179.5	-78	-33.2	0	0	0	115.5	E600 L601	D598-E600 PolarHBondContact O-N 3.26Å; D598-L601 PolarHBondContact O-N 3.13Å
599	Q	34.5	Very low	36	Very low	156 Å²	156	118.5 Å²	118.5	73%	0.729	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-73.4	-11.8	-173.1	-151.5	164.7	71.9	0	0	114.1	S597	S597-Q599 PolarHBondContact O-N 2.76Å
600	E	32.8	Very low	35.8	Very low	154 Å²	154	121.9 Å²	121.9	72%	0.72	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-86.2	-3	168.4	-71.4	-163.1	162.1	0	0	114.1	D598	D598-E600 PolarHBondContact O-N 3.26Å
601	L	34.3	Very low	35.2	Very low	116 Å²	116	128.1 Å²	128.1	61%	0.607	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-95.3	7.4	178.1	-70.4	170	0	0	0	114	D598 P603	D598-L601 PolarHBondContact O-N 3.13Å; L601-P603 VanDerWaalsContact O-CD 3.27Å; L601-P603 WeakPolarHBondContact O-CD 3.31Å
602	L	30.4	Very low	35.2	Very low	138 Å²	138	128 Å²	128	72%	0.723	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.5	171.9	-69.2	177.6	0	0	0	110.1	R604	L602-R604 PolarHBondContact O-N 3.38Å
603	P	32.2	Very low	34.6	Very low	71 Å²	71	130.2 Å²	130.2	46%	0.461	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-68.2	135.1	-177.8	-13.2	26.9	0	0	0	111	L601 R605 S607 I609	L601-P603 VanDerWaalsContact O-CD 3.27Å; L601-P603 WeakPolarHBondContact O-CD 3.31Å; P603-R605 PolarHBondContact O-N 2.96Å; P603-S607 WeakPolarHBondContact CB-OG 3.46Å; P603-S607 WeakPolarHBondContact CG-OG 3.42Å; P603-I609 HydrophobicContact CG-CD1 3.94Å
604	R	28	Very low	33.9	Very low	243 Å²	243	131.1 Å²	131.1	92%	0.917	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.2	139.4	161.6	-115.4	-179.6	-179.4	164.2	0.1	108.1	L602 N606	L602-R604 PolarHBondContact O-N 3.38Å; R604-N606 PolarHBondContact O-N 2.87Å
605	R	33.5	Very low	33.4	Very low	247 Å²	247	136.9 Å²	136.9	93%	0.932	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	12.3	-158.7	-143.4	171.2	171.2	165.5	-3.8	119.7	P603	P603-R605 PolarHBondContact O-N 2.96Å
606	N	29.8	Very low	32.9	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	23.7	-179.5	-72	-4.6	0	0	0	114.6	R604	R604-N606 PolarHBondContact O-N 2.87Å
607	S	32.9	Very low	32.4	Very low	39 Å²	39	138.5 Å²	138.5	27%	0.273	72%	0.716	S	S	.	*			trans	-92.7	109.7	170.2	73.9	0	0	0	0	111.2	P603 I609	P603-S607 WeakPolarHBondContact CB-OG 3.46Å; P603-S607 WeakPolarHBondContact CG-OG 3.42Å; S607-I609 PolarHBondContact O-N 3.35Å
608	L	32.4	Very low	32.1	Very low	177 Å²	177	143.7 Å²	143.7	93%	0.927	73%	0.734	S	S	*	*			trans	-70.4	71	163.6	-72.6	158.8	0	0	0	109.1	L610	L608-L610 PolarHBondContact O-N 3.2Å
609	I	35.3	Very low	31.6	Very low	110 Å²	110	148.9 Å²	148.9	56%	0.564	76%	0.755	S	S	*	*			trans	-79.5	99.8	163.5	-62.6	172.6	0	0	0	105	P603 S607 K611	P603-I609 HydrophobicContact CG-CD1 3.94Å; S607-I609 PolarHBondContact O-N 3.35Å; I609-K611 PolarHBondContact O-N 3.13Å
610	L	30.1	Very low	31.6	Very low	163 Å²	163	146.1 Å²	146.1	85%	0.853	75%	0.749	S	S	*	*			trans	-52.9	113.5	158.7	-79.5	163	0	0	0	106.1	L608	L608-L610 PolarHBondContact O-N 3.2Å
611	K	28.9	Very low	32.4	Very low	189 Å²	189	144.8 Å²	144.8	82%	0.822	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-50.9	128.5	165.2	-79.3	-178.2	174.9	177.7	0	106.1	I609 K613	I609-K611 PolarHBondContact O-N 3.13Å; K611-K613 PolarHBondContact O-N 2.85Å
612	P	32.8	Very low	33.6	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-53.2	116.6	171.6	-18.9	28.8	0	0	0	106.9
613	K	28	Very low	34.9	Very low	189 Å²	189	142.9 Å²	142.9	82%	0.822	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.6	171.1	-159.4	177	-177.6	-177.5	0	104.2	K611 D615	K611-K613 PolarHBondContact O-N 2.85Å; K613-D615 PolarHBondContact O-N 3.43Å; K613-D615 VanDerWaalsContact O-N 3.15Å
614	P	29.5	Very low	36.6	Very low	114 Å²	114	144 Å²	144	74%	0.74	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-58.2	126.3	177.3	22.8	-29.9	0	0	0	107.2
615	D	32	Very low	39.1	Very low	150 Å²	150	136 Å²	136	80%	0.802	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-49.8	134.5	173.1	-78.9	-42.2	0	0	0	108.5	K613 A617	K613-D615 PolarHBondContact O-N 3.43Å; K613-D615 VanDerWaalsContact O-N 3.15Å; D615-A617 PolarHBondContact O-N 2.81Å; D615-A617 VanDerWaalsContact O-N 3.13Å
616	P	31.1	Very low	41.7	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-58.3	124.9	-179.6	22.2	-29.9	0	0	0	108.3	Q618	P616-Q618 VanDerWaalsContact C-N 3.34Å; P616-Q618 PolarHBondContact O-N 2.83Å
617	A	30.7	Very low	44.5	Very low	102 Å²	102	120.6 Å²	120.6	84%	0.843	66%	0.662	S	S	*	*			trans	-50	95.4	-179.7	0	0	0	0	0	110.4	D615	D615-A617 PolarHBondContact O-N 2.81Å; D615-A617 VanDerWaalsContact O-N 3.13Å
618	Q	31.7	Very low	47.1	Very low	165 Å²	165	125.2 Å²	125.2	77%	0.771	68%	0.68	S	S	*	*			trans	-61.2	135.5	154.1	-71.6	-177.2	-6	0	0	105.7	P616 T620	P616-Q618 VanDerWaalsContact C-N 3.34Å; P616-Q618 PolarHBondContact O-N 2.83Å; Q618-T620 PolarHBondContact O-N 2.8Å; Q618-T620 PolarHBondContact O-OG1 3.05Å
619	Q	32.4	Very low	49.9	Very low	207 Å²	207	122.8 Å²	122.8	97%	0.967	66%	0.664	S	S	*	*			trans	-59.5	84.6	176.6	-72	174.5	-24.3	0	0	109.3
620	T	35.6	Very low	52.7	Low	98 Å²	98	118.8 Å²	118.8	60%	0.601	64%	0.642	S	S	*	*			trans	-113	127	172.6	49.5	0	0	0	0	108.7	Q618	Q618-T620 PolarHBondContact O-N 2.8Å; Q618-T620 PolarHBondContact O-OG1 3.05Å
621	D	49.3	Very low	55.7	Low	126 Å²	126	112.7 Å²	112.7	67%	0.674	61%	0.608	S	S	*	*			trans	-10.1	129.5	175.4	-63.9	-41.8	0	0	0	117.2	Q623 N624	D621-Q623 PolarHBondContact O-N 2.99Å; D621-N624 PolarHBondContact O-N 3.07Å
622	S	59.1	Low	58.7	Low	97 Å²	97	113.7 Å²	113.7	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-47.5	-22.6	176.1	57.2	0	0	0	0	114.9	D626	S622-D626 PolarHBondContact O-N 3.28Å
623	Q	57.2	Low	61.5	Low	118 Å²	118	112.4 Å²	112.4	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-66.5	-35.4	178.6	-64.9	-168.9	-2.3	0	0	114.1	D621 T627	D621-Q623 PolarHBondContact O-N 2.99Å; Q623-T627 PolarHBondContact O-N 3.09Å; Q623-T627 PolarHBondContact O-OG1 3.27Å
624	N	68.5	Low	64.5	Low	93 Å²	93	106.3 Å²	106.3	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-39.2	179.7	-77.1	-14.5	0	0	0	110.9	D621 T627 E628	D621-N624 PolarHBondContact O-N 3.07Å; N624-T627 PolarHBondContact O-N 3.21Å; N624-E628 WeakPolarHBondContact O-CG 3.4Å; N624-E628 PolarHBondContact O-N 3.28Å
625	S	80.2	Confident	67.5	Low	75 Å²	75	103.3 Å²	103.3	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.9	-177.6	0	0	0	0	112.3	T627 E628 Q629	S625-T627 VanDerWaalsContact C-N 3.28Å; S625-T627 PolarHBondContact O-N 2.61Å; S625-E628 PolarHBondContact O-N 2.83Å; S625-Q629 WeakPolarHBondContact O-CB 3.27Å; S625-Q629 PolarHBondContact O-N 2.94Å
626	D	88.4	Confident	70.4	Confident	67 Å²	67	100.5 Å²	100.5	36%	0.358	53%	0.53	S	S	.	.	H	α-helix	trans	-57.5	-42.3	176.9	-92.1	16.5	0	0	0	112	K395 S622 Y630	K395-D626 IonicContact NZ-OD2 2.73Å; K395-D626 PolarHBondContact NZ-OD2 2.83Å; S622-D626 PolarHBondContact O-N 3.28Å; D626-Y630 WeakPolarHBondContact O-CB 3.33Å; D626-Y630 PolarHBondContact O-N 2.81Å
627	T	87.6	Confident	73.2	Confident	19 Å²	19	100.4 Å²	100.4	12%	0.117	52%	0.518	C	S	.	.	H	α-helix	trans	-70.8	-44.1	-176.6	-58.3	0	0	0	0	111.3	E387 Y390 Q623 N624 S625 Y630 F631	E387-T627 HydrophobicContact CG-CG2 4.19Å; Y390-T627 HydrophobicContact CD1-CG2 4.23Å; Y390-T627 WeakPolarHBondContact CE1-OG1 3.12Å; Q623-T627 PolarHBondContact O-N 3.09Å; Q623-T627 PolarHBondContact O-OG1 3.27Å; N624-T627 PolarHBondContact O-N 3.21Å; S625-T627 VanDerWaalsContact C-N 3.28Å; S625-T627 PolarHBondContact O-N 2.61Å; T627-Y630 WeakPolarHBondContact O-CB 3.26Å; T627-Y630 PolarHBondContact O-N 3.45Å; T627-F631 HydrophobicContact CG2-CD2 3.91Å; T627-F631 HydrophobicContact CG2-CE2 3.37Å; T627-F631 HydrophobicContact CG2-CZ 4.22Å; T627-F631 WeakPolarHBondContact O-CD2 3.24Å; T627-F631 PolarHBondContact O-N 2.83Å
628	E	89.3	Confident	75.9	Confident	135 Å²	135	99.8 Å²	99.8	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-41.9	175.5	-72.4	-174.2	175.6	0	0	112.4	N624 S625 Y630 F631 R632	N624-E628 WeakPolarHBondContact O-CG 3.4Å; N624-E628 PolarHBondContact O-N 3.28Å; S625-E628 PolarHBondContact O-N 2.83Å; E628-Y630 VanDerWaalsContact C-N 3.32Å; E628-Y630 PolarHBondContact O-N 2.92Å; E628-F631 PolarHBondContact O-N 2.58Å; E628-R632 VanDerWaalsContact O-CG 3.27Å; E628-R632 WeakPolarHBondContact O-CG 3.19Å; E628-R632 PolarHBondContact O-N 2.73Å
629	Q	91.2	Very high	78.5	Confident	127 Å²	127	92.9 Å²	92.9	59%	0.593	48%	0.476	S	S	*	.	H	α-helix	trans	-61	-43	175.2	-176.6	176.4	0.8	0	0	111.2	S625 F631 R632 E633	S625-Q629 WeakPolarHBondContact O-CB 3.27Å; S625-Q629 PolarHBondContact O-N 2.94Å; Q629-F631 PolarHBondContact O-N 2.9Å; Q629-R632 PolarHBondContact O-N 2.81Å; Q629-E633 PolarHBondContact O-N 2.81Å
630	Y	92.2	Very high	81.3	Confident	26 Å²	26	87.7 Å²	87.7	10%	0.102	46%	0.455	C	S	.	.	H	α-helix	trans	-58.4	-47.8	175.5	170	-101.8	0	0	0	112.1	Y390 S394 D626 T627 E628 R632 E633 W634 L646	Y390-Y630 AromaticContact CD2-CD1 3.25Å; Y390-Y630 HydrophobicContact CD2-CD1 3.25Å; Y390-Y630 AromaticContact CD2-CD2 3.68Å; Y390-Y630 HydrophobicContact CD2-CD2 3.68Å; Y390-Y630 AromaticContact CD2-CE1 3.59Å; Y390-Y630 HydrophobicContact CD2-CE1 3.59Å; Y390-Y630 HydrophobicContact CD2-CE2 4Å; Y390-Y630 AromaticContact CD2-CG 3.27Å; Y390-Y630 HydrophobicContact CD2-CG 3.27Å; Y390-Y630 AromaticContact CD2-CZ 3.94Å; Y390-Y630 VanDerWaalsContact CE2-CB 3.49Å; Y390-Y630 AromaticContact CE2-CD1 3.9Å; Y390-Y630 HydrophobicContact CE2-CD1 3.9Å; Y390-Y630 AromaticContact CE2-CD2 3.71Å; Y390-Y630 HydrophobicContact CE2-CD2 3.71Å; Y390-Y630 HydrophobicContact CE2-CE2 4.39Å; Y390-Y630 AromaticContact CE2-CG 3.41Å; Y390-Y630 HydrophobicContact CE2-CG 3.41Å; Y390-Y630 VanDerWaalsContact CE2-CG 3.41Å; Y390-Y630 AromaticContact CG-CD1 3.91Å; Y390-Y630 HydrophobicContact CG-CD1 3.91Å; Y390-Y630 HydrophobicContact CG-CE1 4.19Å; Y390-Y630 HydrophobicContact CG-CG 4.29Å; S394-Y630 WeakPolarHBondContact OG-CE2 3.4Å; S394-Y630 VanDerWaalsContact OG-CZ 3.28Å; S394-Y630 PolarHBondContact OG-OH 3.19Å; D626-Y630 WeakPolarHBondContact O-CB 3.33Å; D626-Y630 PolarHBondContact O-N 2.81Å; T627-Y630 WeakPolarHBondContact O-CB 3.26Å; T627-Y630 PolarHBondContact O-N 3.45Å; E628-Y630 VanDerWaalsContact C-N 3.32Å; E628-Y630 PolarHBondContact O-N 2.92Å; Y630-R632 PolarHBondContact O-N 3.03Å; Y630-E633 PolarHBondContact O-N 2.83Å; Y630-W634 HydrophobicContact CE1-CE3 4.48Å; Y630-W634 AromaticContact CE2-CE3 3.88Å; Y630-W634 HydrophobicContact CE2-CE3 3.88Å; Y630-W634 HydrophobicContact CE2-CZ3 4.35Å; Y630-W634 AromaticContact CZ-CE3 3.64Å; Y630-W634 WeakPolarHBondContact O-CB 3.48Å; Y630-W634 PolarHBondContact O-N 2.81Å; Y630-W634 VanDerWaalsContact OH-CE3 3.29Å; Y630-W634 VanDerWaalsContact OH-CZ3 3.3Å; Y630-W634 WeakPolarHBondContact OH-CZ3 3.46Å; Y630-L646 HydrophobicContact CE1-CD1 3.61Å
631	F	93.5	Very high	83.9	Confident	35 Å²	35	84.1 Å²	84.1	15%	0.154	43%	0.432	C	S	.	.	H	α-helix	trans	-63.7	-41.4	178.3	-71	-58.6	0	0	0	112.2	A386 E387 T627 E628 Q629 E633 W634 F635 L646	A386-F631 HydrophobicContact CB-CE1 3.85Å; A386-F631 HydrophobicContact CB-CZ 3.8Å; E387-F631 HydrophobicContact CG-CE2 4.39Å; E387-F631 HydrophobicContact CG-CZ 4.49Å; T627-F631 HydrophobicContact CG2-CD2 3.91Å; T627-F631 HydrophobicContact CG2-CE2 3.37Å; T627-F631 HydrophobicContact CG2-CZ 4.22Å; T627-F631 WeakPolarHBondContact O-CD2 3.24Å; T627-F631 PolarHBondContact O-N 2.83Å; E628-F631 PolarHBondContact O-N 2.58Å; Q629-F631 PolarHBondContact O-N 2.9Å; F631-E633 VanDerWaalsContact C-N 3.34Å; F631-E633 PolarHBondContact O-N 3.07Å; F631-W634 PolarHBondContact O-N 3.29Å; F631-F635 HydrophobicContact CB-CD2 4.39Å; F631-F635 HydrophobicContact CB-CE2 4.09Å; F631-F635 HydrophobicContact CD1-CE2 4.39Å; F631-F635 WeakPolarHBondContact O-CD2 3.38Å; F631-F635 PolarHBondContact O-N 2.9Å; F631-L646 HydrophobicContact CD1-CD1 3.89Å; F631-L646 HydrophobicContact CE1-CD1 3.82Å; F631-L646 HydrophobicContact CE1-CD2 4.38Å; F631-L646 HydrophobicContact CE1-CG 4.5Å
632	R	91.3	Very high	85.8	Confident	209 Å²	209	80.1 Å²	80.1	79%	0.789	41%	0.41	S	S	*	.	H	α-helix	trans	-57.7	-46.9	174.6	-71.6	-77.2	-173.8	-171.2	-0.3	111.3	E628 Q629 Y630 S636	E628-R632 VanDerWaalsContact O-CG 3.27Å; E628-R632 WeakPolarHBondContact O-CG 3.19Å; E628-R632 PolarHBondContact O-N 2.73Å; Q629-R632 PolarHBondContact O-N 2.81Å; Y630-R632 PolarHBondContact O-N 3.03Å; R632-S636 PolarHBondContact O-N 3.02Å
633	E	92.5	Very high	87.4	Confident	95 Å²	95	76.3 Å²	76.3	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-41.6	177.8	-165.6	-170.7	155	0	0	111.4	Q629 Y630 F631 F635 S636 K637	Q629-E633 PolarHBondContact O-N 2.81Å; Y630-E633 PolarHBondContact O-N 2.83Å; F631-E633 VanDerWaalsContact C-N 3.34Å; F631-E633 PolarHBondContact O-N 3.07Å; E633-F635 PolarHBondContact O-N 2.89Å; E633-S636 WeakPolarHBondContact O-CB 3.42Å; E633-S636 PolarHBondContact O-N 3.01Å; E633-S636 VanDerWaalsContact O-N 3.17Å; E633-S636 PolarHBondContact O-OG 3.1Å; E633-K637 WeakPolarHBondContact OE1-CE 3.31Å; E633-K637 IonicContact OE1-NZ 3.49Å; E633-K637 PolarHBondContact OE1-NZ 2.95Å
634	W	91.9	Very high	89.2	Confident	60 Å²	60	71.3 Å²	71.3	23%	0.227	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-49.2	179.3	-170.3	-91.5	0	0	0	111.7	Y630 F631 S636 K637 V644 L646	Y630-W634 HydrophobicContact CE1-CE3 4.48Å; Y630-W634 AromaticContact CE2-CE3 3.88Å; Y630-W634 HydrophobicContact CE2-CE3 3.88Å; Y630-W634 HydrophobicContact CE2-CZ3 4.35Å; Y630-W634 AromaticContact CZ-CE3 3.64Å; Y630-W634 WeakPolarHBondContact O-CB 3.48Å; Y630-W634 PolarHBondContact O-N 2.81Å; Y630-W634 VanDerWaalsContact OH-CE3 3.29Å; Y630-W634 VanDerWaalsContact OH-CZ3 3.3Å; Y630-W634 WeakPolarHBondContact OH-CZ3 3.46Å; F631-W634 PolarHBondContact O-N 3.29Å; W634-S636 PolarHBondContact O-N 3.25Å; W634-K637 PolarHBondContact O-N 2.89Å; W634-K637 VanDerWaalsContact O-N 3.16Å; W634-V644 HydrophobicContact CH2-CB 3.74Å; W634-V644 HydrophobicContact CH2-CG1 4.07Å; W634-V644 HydrophobicContact CZ2-CB 3.75Å; W634-V644 HydrophobicContact CZ2-CG1 3.9Å; W634-V644 WeakPolarHBondContact CZ2-O 2.88Å; W634-L646 HydrophobicContact CB-CD1 4.28Å; W634-L646 HydrophobicContact CD2-CD1 3.68Å; W634-L646 HydrophobicContact CD2-CG 4.48Å; W634-L646 HydrophobicContact CE3-CD1 4.35Å; W634-L646 HydrophobicContact CG-CD1 3.61Å; W634-L646 HydrophobicContact CG-CG 4.5Å; W634-L646 HydrophobicContact CZ2-CD1 4.5Å
635	F	92.5	Very high	90.6	Very high	51 Å²	51	67 Å²	67	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-73.1	-11.8	179.8	-64.6	-55.6	0	0	0	114.1	F631 E633 K637 L646 P647 R648	F631-F635 HydrophobicContact CB-CD2 4.39Å; F631-F635 HydrophobicContact CB-CE2 4.09Å; F631-F635 HydrophobicContact CD1-CE2 4.39Å; F631-F635 WeakPolarHBondContact O-CD2 3.38Å; F631-F635 PolarHBondContact O-N 2.9Å; E633-F635 PolarHBondContact O-N 2.89Å; F635-K637 VanDerWaalsContact C-N 3.29Å; F635-L646 HydrophobicContact CE1-CB 4.43Å; F635-L646 WeakPolarHBondContact CE1-O 3.47Å; F635-L646 HydrophobicContact CZ-CB 4.23Å; F635-P647 WeakPolarHBondContact CZ-O 3.31Å; F635-R648 HydrophobicContact CD1-CG 4.16Å; F635-R648 HydrophobicContact CE1-CG 3.73Å; F635-R648 HydrophobicContact CZ-CG 3.96Å
636	S	91.8	Very high	91.4	Very high	91 Å²	91	63.4 Å²	63.4	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-75.8	-20.6	171.3	81.3	0	0	0	0	112.7	R632 E633 W634	R632-S636 PolarHBondContact O-N 3.02Å; E633-S636 WeakPolarHBondContact O-CB 3.42Å; E633-S636 PolarHBondContact O-N 3.01Å; E633-S636 VanDerWaalsContact O-N 3.17Å; E633-S636 PolarHBondContact O-OG 3.1Å; W634-S636 PolarHBondContact O-N 3.25Å
637	K	89.9	Confident	91.8	Very high	113 Å²	113	60.3 Å²	60.3	49%	0.491	30%	0.298	S	S	.	.	S	Bend	trans	-94.5	147.9	-179	-64	169.9	-173.2	167.4	0	110.4	E633 W634 F635 A639	E633-K637 WeakPolarHBondContact OE1-CE 3.31Å; E633-K637 IonicContact OE1-NZ 3.49Å; E633-K637 PolarHBondContact OE1-NZ 2.95Å; W634-K637 PolarHBondContact O-N 2.89Å; W634-K637 VanDerWaalsContact O-N 3.16Å; F635-K637 VanDerWaalsContact C-N 3.29Å; K637-A639 PolarHBondContact O-N 2.84Å
638	P	87.9	Confident	92.2	Very high	88 Å²	88	62.9 Å²	62.9	57%	0.571	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-66.9	136.4	174	28.5	-34.1	0	0	0	110.5
639	A	86.6	Confident	92.3	Very high	21 Å²	21	58.3 Å²	58.3	17%	0.174	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.4	-178.5	0	0	0	0	0	112.8	Y477 I595 K637	Y477-A639 HydrophobicContact CD1-CB 4.22Å; Y477-A639 HydrophobicContact CE1-CB 3.71Å; I595-A639 HydrophobicContact CD1-CB 3.87Å; K637-A639 PolarHBondContact O-N 2.84Å
640	N	90.3	Very high	92.2	Very high	98 Å²	98	54.9 Å²	54.9	52%	0.524	28%	0.277	S	S	.	.			trans	-99.9	105.2	168.9	178.9	8.7	0	0	0	109.3	H642 G643	N640-H642 PolarHBondContact O-N 3.5Å; N640-H642 PolarHBondContact OD1-N 2.71Å; N640-G643 PolarHBondContact ND2-N 2.96Å; N640-G643 PolarHBondContact O-N 2.93Å; N640-G643 PolarHBondContact OD1-N 3.33Å
641	L	90.2	Very high	91.7	Very high	23 Å²	23	56 Å²	56	12%	0.12	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	-176.9	-56.3	176.1	0	0	0	113.6	R426 A479 A480 I558	R426-L641 PolarHBondContact NH1-O 3.11Å; A479-L641 HydrophobicContact CB-CD1 3.63Å; A479-L641 HydrophobicContact CB-CD2 4.11Å; A480-L641 HydrophobicContact CB-CB 4.33Å; A480-L641 HydrophobicContact CB-CD2 4.13Å; I558-L641 HydrophobicContact CB-CD1 4.28Å; I558-L641 HydrophobicContact CD1-CD1 3.99Å
642	H	90.4	Very high	91.4	Very high	42 Å²	42	60 Å²	60	19%	0.194	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	14.6	178.2	-60.3	-48.6	0	0	0	113.6	P423 I558 G559 K560 N640	P423-H642 VanDerWaalsContact CG-C 3.43Å; P423-H642 WeakPolarHBondContact CG-O 3.42Å; I558-H642 PolarHBondContact O-CE1 3.47Å; I558-H642 PolarHBondContact O-NE2 2.71Å; G559-H642 VanDerWaalsContact C-CE1 3.49Å; K560-H642 WeakPolarHBondContact CA-NE2 3.42Å; K560-H642 HydrophobicContact CG-CB 4.31Å; K560-H642 PolarHBondContact N-CE1 3.46Å; K560-H642 VanDerWaalsContact N-CE1 3.3Å; K560-H642 PolarHBondContact N-NE2 3.26Å; N640-H642 PolarHBondContact O-N 3.5Å; N640-H642 PolarHBondContact OD1-N 2.71Å
643	G	92.2	Very high	91.4	Very high	16 Å²	16	52.7 Å²	52.7	17%	0.165	30%	0.299	C	S	.	.	S	Bend	trans	-115.3	-157.2	169.7	0	0	0	0	0	110.7	R426 N640	R426-G643 PolarHBondContact NH1-O 3.44Å; R426-G643 PolarHBondContact NH2-O 3.28Å; N640-G643 PolarHBondContact ND2-N 2.96Å; N640-G643 PolarHBondContact O-N 2.93Å; N640-G643 PolarHBondContact OD1-N 3.33Å
644	V	95.6	Very high	91.5	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	28%	0.281	C	S	.	.			trans	-62	140	172.5	-177.7	0	0	0	0	110	V389 E393 M420 L421 W634 L646	V389-V644 HydrophobicContact CG1-CG1 3.7Å; E393-V644 HydrophobicContact CG-CG2 4.33Å; M420-V644 CarbonylContact O-C 3.54Å; M420-V644 VanDerWaalsContact O-CA 3.28Å; M420-V644 WeakPolarHBondContact O-CA 3.28Å; L421-V644 HydrophobicContact CD2-CB 4.46Å; L421-V644 HydrophobicContact CD2-CG1 4.06Å; L421-V644 HydrophobicContact CD2-CG2 3.62Å; W634-V644 HydrophobicContact CH2-CB 3.74Å; W634-V644 HydrophobicContact CH2-CG1 4.07Å; W634-V644 HydrophobicContact CZ2-CB 3.75Å; W634-V644 HydrophobicContact CZ2-CG1 3.9Å; W634-V644 WeakPolarHBondContact CZ2-O 2.88Å; V644-L646 HydrophobicContact CG1-CD2 4.3Å; V644-L646 HydrophobicContact CG1-CG 4.36Å
645	I	96.7	Very high	91.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	29%	0.289	C	S	.	.			trans	-124.3	143.5	168.2	65.8	-179	0	0	0	108.5	M420 Y477 F481	M420-I645 VanDerWaalsContact CB-O 3.29Å; M420-I645 WeakPolarHBondContact CB-O 3.43Å; M420-I645 WeakPolarHBondContact CG-O 3.22Å; M420-I645 PolarHBondContact O-N 3.29Å; Y477-I645 HydrophobicContact CD1-CG2 4.4Å; Y477-I645 HydrophobicContact CD2-CB 4.23Å; Y477-I645 HydrophobicContact CD2-CD1 4.19Å; Y477-I645 HydrophobicContact CE2-CB 4.23Å; Y477-I645 HydrophobicContact CG-CB 4.46Å; Y477-I645 HydrophobicContact CG-CD1 4.43Å; Y477-I645 HydrophobicContact CG-CG2 4.43Å; F481-I645 HydrophobicContact CE2-CD1 3.69Å; F481-I645 HydrophobicContact CZ-CD1 3.85Å
646	L	97.6	Very high	91.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.			trans	-125.3	136	-179.6	-66	175.5	0	0	0	109.1	A386 V389 Y477 Y630 F631 W634 F635 V644	A386-L646 HydrophobicContact CB-CD2 4.22Å; V389-L646 HydrophobicContact CB-CD2 3.93Å; V389-L646 HydrophobicContact CG1-CD2 3.54Å; Y477-L646 WeakPolarHBondContact CE2-O 3.4Å; Y477-L646 PolarHBondContact OH-O 3.04Å; Y630-L646 HydrophobicContact CE1-CD1 3.61Å; F631-L646 HydrophobicContact CD1-CD1 3.89Å; F631-L646 HydrophobicContact CE1-CD1 3.82Å; F631-L646 HydrophobicContact CE1-CD2 4.38Å; F631-L646 HydrophobicContact CE1-CG 4.5Å; W634-L646 HydrophobicContact CB-CD1 4.28Å; W634-L646 HydrophobicContact CD2-CD1 3.68Å; W634-L646 HydrophobicContact CD2-CG 4.48Å; W634-L646 HydrophobicContact CE3-CD1 4.35Å; W634-L646 HydrophobicContact CG-CD1 3.61Å; W634-L646 HydrophobicContact CG-CG 4.5Å; W634-L646 HydrophobicContact CZ2-CD1 4.5Å; F635-L646 HydrophobicContact CE1-CB 4.43Å; F635-L646 WeakPolarHBondContact CE1-O 3.47Å; F635-L646 HydrophobicContact CZ-CB 4.23Å; V644-L646 HydrophobicContact CG1-CD2 4.3Å; V644-L646 HydrophobicContact CG1-CG 4.36Å
647	P	97.1	Very high	91.8	Very high	2 Å²	2	44 Å²	44	1%	0.013	25%	0.25	C	S	.	.			trans	-71.2	140.9	179.4	28.2	-33.6	0	0	0	111.5	L382 A386 M420 L473 F635 V649	L382-P647 HydrophobicContact CB-CB 4.34Å; L382-P647 HydrophobicContact CB-CG 4.05Å; L382-P647 HydrophobicContact CD1-CB 4.49Å; L382-P647 HydrophobicContact CD2-CB 4.21Å; L382-P647 HydrophobicContact CD2-CG 4.17Å; A386-P647 HydrophobicContact CB-CG 4.03Å; M420-P647 HydrophobicContact CE-CG 3.69Å; M420-P647 HydrophobicContact SD-CG 4.36Å; L473-P647 HydrophobicContact CD2-CB 3.73Å; L473-P647 HydrophobicContact CD2-CG 4.25Å; F635-P647 WeakPolarHBondContact CZ-O 3.31Å; P647-V649 HydrophobicContact CB-CG1 3.93Å; P647-V649 HydrophobicContact CG-CG1 3.84Å; P647-V649 PolarHBondContact O-N 3.14Å
648	R	94.8	Very high	91.9	Very high	73 Å²	73	41.8 Å²	41.8	28%	0.275	24%	0.241	S	C	.	.			trans	-77	113.8	158.5	-64.7	-176.9	-179	-95.7	2	108	Q476 F635 H653	Q476-R648 PolarHBondContact NE2-O 2.96Å; F635-R648 HydrophobicContact CD1-CG 4.16Å; F635-R648 HydrophobicContact CE1-CG 3.73Å; F635-R648 HydrophobicContact CZ-CG 3.96Å; R648-H653 HydrophobicContact CB-CB 3.81Å; R648-H653 WeakPolarHBondContact CD-NE2 3.44Å; R648-H653 WeakPolarHBondContact O-CB 3.38Å
649	V	91.7	Very high	92.1	Very high	40 Å²	40	37.8 Å²	37.8	24%	0.242	22%	0.215	C	C	.	.			trans	-105	8.4	-172.1	-64.2	0	0	0	0	114.1	R379 L382 K383 P647	R379-V649 WeakPolarHBondContact CD-O 3.42Å; R379-V649 HydrophobicContact CG-CB 4.14Å; R379-V649 VanDerWaalsContact CG-O 3.26Å; R379-V649 WeakPolarHBondContact CG-O 3.38Å; L382-V649 HydrophobicContact CB-CG1 3.96Å; K383-V649 HydrophobicContact CB-CB 4.39Å; K383-V649 HydrophobicContact CB-CG1 4.26Å; K383-V649 HydrophobicContact CB-CG2 4.24Å; K383-V649 HydrophobicContact CG-CG2 4.32Å; P647-V649 HydrophobicContact CB-CG1 3.93Å; P647-V649 HydrophobicContact CG-CG1 3.84Å; P647-V649 PolarHBondContact O-N 3.14Å
650	S	89.4	Confident	92.5	Very high	54 Å²	54	36.8 Å²	36.8	38%	0.378	21%	0.207	S	C	.	.	S	Bend	trans	-66.9	152	171.6	76.8	0	0	0	0	110.2	T652 H653 I654	S650-T652 PolarHBondContact O-N 3.15Å; S650-T652 PolarHBondContact OG-OG1 3.43Å; S650-H653 PolarHBondContact O-N 3.36Å; S650-H653 PolarHBondContact OG-CE1 3.36Å; S650-H653 PolarHBondContact OG-ND1 3.32Å; S650-I654 PolarHBondContact O-N 3.44Å
651	G	82.2	Confident	92.7	Very high	51 Å²	51	32.2 Å²	32.2	53%	0.526	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.2	-175.7	0	0	0	0	0	113.8	H653	G651-H653 VanDerWaalsContact C-N 3.28Å; G651-H653 PolarHBondContact O-N 3.19Å
652	T	86.6	Confident	92.6	Very high	118 Å²	118	31.5 Å²	31.5	72%	0.724	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.3	177	57	0	0	0	0	114.8	S650	S650-T652 PolarHBondContact O-N 3.15Å; S650-T652 PolarHBondContact OG-OG1 3.43Å
653	H	91.3	Very high	92.5	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.259	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-16.1	-178.9	-67.3	97.6	0	0	0	113.3	Q476 R648 S650 G651	Q476-H653 PolarHBondContact NE2-O 3.02Å; R648-H653 HydrophobicContact CB-CB 3.81Å; R648-H653 WeakPolarHBondContact CD-NE2 3.44Å; R648-H653 WeakPolarHBondContact O-CB 3.38Å; S650-H653 PolarHBondContact O-N 3.36Å; S650-H653 PolarHBondContact OG-CE1 3.36Å; S650-H653 PolarHBondContact OG-ND1 3.32Å; G651-H653 VanDerWaalsContact C-N 3.28Å; G651-H653 PolarHBondContact O-N 3.19Å
654	I	95.1	Very high	92.3	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.067	16%	0.162	C	C	.	.			trans	-87.9	112.2	175.6	-57.1	-58.2	0	0	0	107.9	L375 V378 R379 L382 Q472 S650	L375-I654 HydrophobicContact CB-CG2 4.16Å; L375-I654 HydrophobicContact CD2-CG2 4.19Å; V378-I654 HydrophobicContact CG1-CG2 4.43Å; R379-I654 HydrophobicContact CB-CG1 4.11Å; R379-I654 HydrophobicContact CG-CG1 4.27Å; L382-I654 HydrophobicContact CD1-CD1 3.9Å; Q472-I654 HydrophobicContact CG-CD1 4.44Å; S650-I654 PolarHBondContact O-N 3.44Å
655	K	93.4	Very high	91.6	Very high	90 Å²	90	28.6 Å²	28.6	39%	0.391	16%	0.159	S	C	.	.			trans	-100.6	153.7	-175	-63.3	-172.7	-171.3	174.2	0	110.9	W471 Q472 E475 W657	W471-K655 HydrophobicContact CH2-CB 3.82Å; W471-K655 HydrophobicContact CZ3-CB 3.92Å; Q472-K655 PolarHBondContact NE2-O 3Å; E475-K655 HydrophobicContact CG-CD 4.07Å; E475-K655 IonicContact OE1-NZ 2.71Å; E475-K655 PolarHBondContact OE1-NZ 2.87Å; K655-W657 PolarHBondContact O-N 2.98Å
656	L	93.9	Very high	90.7	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.052	17%	0.17	C	C	.	.			trans	-73.6	125.3	167.8	-173.7	66.1	0	0	0	109.5	L349 W365 L369 L375 K658 Y661 F662 F760	L349-L656 HydrophobicContact CD1-CD1 4.21Å; W365-L656 HydrophobicContact CH2-CD2 3.84Å; W365-L656 HydrophobicContact CZ2-CD2 4.31Å; L369-L656 HydrophobicContact CD1-CD1 4.26Å; L369-L656 HydrophobicContact CD2-CD2 4.5Å; L375-L656 HydrophobicContact CD2-CD1 4.35Å; L656-K658 VanDerWaalsContact C-N 3.29Å; L656-K658 PolarHBondContact O-N 3.04Å; L656-Y661 HydrophobicContact CD1-CD2 3.5Å; L656-Y661 HydrophobicContact CD1-CE2 3.94Å; L656-Y661 HydrophobicContact CG-CD2 4.04Å; L656-F662 HydrophobicContact CD2-CD2 4.4Å; L656-F662 HydrophobicContact CD2-CE2 3.48Å; L656-F662 VanDerWaalsContact CD2-CE2 3.48Å; L656-F662 HydrophobicContact CD2-CZ 3.89Å; L656-F760 HydrophobicContact CB-CZ 4.16Å; L656-F760 HydrophobicContact CD2-CE1 4.13Å; L656-F760 HydrophobicContact CD2-CZ 4.41Å
657	W	95.3	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.			trans	-71.6	80.7	178.2	-173.3	12.3	0	0	0	111.5	L464 L467 D468 W471 L488 A489 K655 L659 C660 Y661	L464-W657 HydrophobicContact CD1-CZ3 4.23Å; L467-W657 HydrophobicContact CB-CH2 4.29Å; L467-W657 HydrophobicContact CB-CZ3 4.02Å; D468-W657 HydrophobicContact CB-CE3 4.07Å; W471-W657 HydrophobicContact CB-CD2 4.05Å; W471-W657 HydrophobicContact CB-CE3 4.24Å; W471-W657 HydrophobicContact CB-CZ2 4.46Å; W471-W657 AromaticContact CD1-CD1 3.62Å; W471-W657 AromaticContact CD1-CE2 3.63Å; W471-W657 AromaticContact CD1-NE1 3.28Å; W471-W657 VanDerWaalsContact CD1-NE1 3.28Å; W471-W657 HydrophobicContact CD2-CB 3.93Å; W471-W657 AromaticContact CD2-CD1 3.54Å; W471-W657 HydrophobicContact CD2-CD2 4.07Å; W471-W657 AromaticContact CD2-CG 3.59Å; W471-W657 HydrophobicContact CD2-CG 3.59Å; W471-W657 AromaticContact CE2-CD1 3.28Å; W471-W657 AromaticContact CE2-CG 3.81Å; W471-W657 AromaticContact CE2-NE1 3.79Å; W471-W657 HydrophobicContact CE3-CB 3.71Å; W471-W657 AromaticContact CE3-CG 3.91Å; W471-W657 HydrophobicContact CE3-CG 3.91Å; W471-W657 AromaticContact CG-CD1 3.77Å; W471-W657 AromaticContact CG-CD2 3.8Å; W471-W657 HydrophobicContact CG-CD2 3.8Å; W471-W657 AromaticContact CG-CE2 3.77Å; W471-W657 HydrophobicContact CG-CE3 4.47Å; W471-W657 AromaticContact CG-CG 3.85Å; W471-W657 HydrophobicContact CG-CG 3.85Å; W471-W657 HydrophobicContact CG-CZ2 4.43Å; W471-W657 AromaticContact CG-NE1 3.73Å; W471-W657 HydrophobicContact CH2-CB 4.25Å; W471-W657 HydrophobicContact CZ2-CB 4.43Å; W471-W657 AromaticContact CZ2-CD1 3.79Å; W471-W657 HydrophobicContact CZ2-CG 4.33Å; W471-W657 HydrophobicContact CZ3-CB 3.88Å; W471-W657 HydrophobicContact CZ3-CG 4.42Å; W471-W657 AromaticContact NE1-CD1 3.3Å; W471-W657 VanDerWaalsContact NE1-CD1 3.3Å; W471-W657 AromaticContact NE1-NE1 3.29Å; L488-W657 HydrophobicContact CB-CH2 3.59Å; L488-W657 HydrophobicContact CB-CZ2 3.69Å; A489-W657 HydrophobicContact CB-CZ2 4.19Å; K655-W657 PolarHBondContact O-N 2.98Å; W657-L659 VanDerWaalsContact C-N 3.34Å; W657-L659 PolarHBondContact O-N 3.22Å; W657-C660 HydrophobicContact CB-CB 4.23Å; W657-C660 HydrophobicContact CD2-CB 3.28Å; W657-C660 HydrophobicContact CE3-CB 3.5Å; W657-C660 VanDerWaalsContact CE3-CB 3.5Å; W657-C660 HydrophobicContact CG-CB 3.62Å; W657-C660 HydrophobicContact CH2-CB 4.26Å; W657-C660 HydrophobicContact CZ2-CB 4.1Å; W657-C660 HydrophobicContact CZ3-CB 3.99Å; W657-C660 PolarHBondContact O-N 3.11Å; W657-Y661 HydrophobicContact CB-CD2 4.13Å; W657-Y661 HydrophobicContact CB-CE2 3.78Å; W657-Y661 VanDerWaalsContact O-CD2 3.27Å; W657-Y661 WeakPolarHBondContact O-CD2 3.42Å; W657-Y661 PolarHBondContact O-N 2.96Å
658	K	91.7	Very high	88.8	Confident	67 Å²	67	33 Å²	33	29%	0.291	18%	0.183	S	C	.	.	H	α-helix	trans	-55.4	-43.6	-172.5	-67.2	-179.7	177.3	-179.3	0	112.8	L656 C660 Y661 F662 F760 L761	L656-K658 VanDerWaalsContact C-N 3.29Å; L656-K658 PolarHBondContact O-N 3.04Å; K658-C660 VanDerWaalsContact C-N 3.28Å; K658-C660 PolarHBondContact O-N 3.26Å; K658-Y661 PolarHBondContact O-N 3.37Å; K658-F662 HydrophobicContact CB-CD2 4.45Å; K658-F662 HydrophobicContact CG-CD2 4.36Å; K658-F662 WeakPolarHBondContact O-CA 3.47Å; K658-F662 WeakPolarHBondContact O-CB 3.47Å; K658-F662 PolarHBondContact O-N 2.83Å; K658-F760 PolarHBondContact NZ-O 2.87Å; K658-F760 VanDerWaalsContact NZ-O 3.13Å; K658-L761 HydrophobicContact CD-CD2 4.13Å; K658-L761 PolarHBondContact NZ-O 3.01Å
659	L	92.8	Very high	88.1	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-37.6	177.9	-173.3	67.9	0	0	0	111.4	E485 W657 R663 F741	E485-L659 HydrophobicContact CB-CD2 4.32Å; E485-L659 HydrophobicContact CG-CD2 3.63Å; W657-L659 VanDerWaalsContact C-N 3.34Å; W657-L659 PolarHBondContact O-N 3.22Å; L659-R663 HydrophobicContact CD1-CB 4.37Å; L659-R663 WeakPolarHBondContact O-CB 3.43Å; L659-R663 WeakPolarHBondContact O-CD 3.26Å; L659-R663 WeakPolarHBondContact O-CG 3.4Å; L659-F741 HydrophobicContact CD1-CD2 3.95Å; L659-F741 HydrophobicContact CD1-CE2 4.12Å; L659-F741 HydrophobicContact CD2-CE2 4.34Å; L659-F741 HydrophobicContact CG-CE2 4.22Å
660	C	94.9	Very high	87.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-73.2	-49.2	176.5	-171.2	0	0	0	0	111.8	W657 K658 R663	W657-C660 HydrophobicContact CB-CB 4.23Å; W657-C660 HydrophobicContact CD2-CB 3.28Å; W657-C660 HydrophobicContact CE3-CB 3.5Å; W657-C660 VanDerWaalsContact CE3-CB 3.5Å; W657-C660 HydrophobicContact CG-CB 3.62Å; W657-C660 HydrophobicContact CH2-CB 4.26Å; W657-C660 HydrophobicContact CZ2-CB 4.1Å; W657-C660 HydrophobicContact CZ3-CB 3.99Å; W657-C660 PolarHBondContact O-N 3.11Å; K658-C660 VanDerWaalsContact C-N 3.28Å; K658-C660 PolarHBondContact O-N 3.26Å; C660-R663 PolarHBondContact O-NH1 2.77Å
661	Y	93.4	Very high	87.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-90	-19.7	-167.6	-54	-48.7	0	0	0	115.4	F141 L349 W374 L464 D468 L656 W657 K658	F141-Y661 HydrophobicContact CE1-CD1 4.07Å; F141-Y661 AromaticContact CE2-CD1 3.76Å; F141-Y661 HydrophobicContact CE2-CD1 3.76Å; F141-Y661 HydrophobicContact CE2-CE1 4.29Å; F141-Y661 AromaticContact CZ-CD1 3.4Å; F141-Y661 HydrophobicContact CZ-CD1 3.4Å; F141-Y661 VanDerWaalsContact CZ-CD1 3.4Å; F141-Y661 HydrophobicContact CZ-CE1 4.02Å; F141-Y661 HydrophobicContact CZ-CG 4.38Å; L349-Y661 HydrophobicContact CD2-CD1 4.21Å; L349-Y661 HydrophobicContact CD2-CD2 4.35Å; L349-Y661 HydrophobicContact CD2-CE1 4.05Å; L349-Y661 HydrophobicContact CD2-CE2 4.18Å; L349-Y661 HydrophobicContact CD2-CG 4.36Å; W374-Y661 AromaticContact NE1-CZ 3.75Å; W374-Y661 PolarHBondContact NE1-OH 3.12Å; W374-Y661 VanDerWaalsContact NE1-OH 3.11Å; L464-Y661 HydrophobicContact CD2-CE1 4.22Å; D468-Y661 WeakPolarHBondContact OD2-CE2 3.17Å; D468-Y661 PolarHBondContact OD2-OH 3.15Å; L656-Y661 HydrophobicContact CD1-CD2 3.5Å; L656-Y661 HydrophobicContact CD1-CE2 3.94Å; L656-Y661 HydrophobicContact CG-CD2 4.04Å; W657-Y661 HydrophobicContact CB-CD2 4.13Å; W657-Y661 HydrophobicContact CB-CE2 3.78Å; W657-Y661 VanDerWaalsContact O-CD2 3.27Å; W657-Y661 WeakPolarHBondContact O-CD2 3.42Å; W657-Y661 PolarHBondContact O-N 2.96Å; K658-Y661 PolarHBondContact O-N 3.37Å
662	F	88.7	Confident	87.3	Confident	7 Å²	7	35.9 Å²	35.9	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-123.6	-0.5	-175.2	-63.6	-46.4	0	0	0	115.2	C353 W365 L656 K658 W664 V665 A668 L757 L761	C353-F662 HydrophobicContact CB-CD1 4.43Å; C353-F662 HydrophobicContact CB-CE1 4.01Å; C353-F662 VanDerWaalsContact SG-CE1 3.58Å; W365-F662 HydrophobicContact CH2-CZ 4.38Å; W365-F662 AromaticContact CZ2-CZ 3.84Å; W365-F662 HydrophobicContact CZ2-CZ 3.84Å; L656-F662 HydrophobicContact CD2-CD2 4.4Å; L656-F662 HydrophobicContact CD2-CE2 3.48Å; L656-F662 VanDerWaalsContact CD2-CE2 3.48Å; L656-F662 HydrophobicContact CD2-CZ 3.89Å; K658-F662 HydrophobicContact CB-CD2 4.45Å; K658-F662 HydrophobicContact CG-CD2 4.36Å; K658-F662 WeakPolarHBondContact O-CA 3.47Å; K658-F662 WeakPolarHBondContact O-CB 3.47Å; K658-F662 PolarHBondContact O-N 2.83Å; F662-W664 PolarHBondContact O-N 2.9Å; F662-V665 HydrophobicContact CB-CG2 4.32Å; F662-V665 HydrophobicContact CD1-CG2 3.95Å; F662-V665 PolarHBondContact O-N 3.11Å; F662-A668 HydrophobicContact CB-CB 4.07Å; F662-A668 HydrophobicContact CG-CB 4.47Å; F662-L757 HydrophobicContact CE1-CD1 4.47Å; F662-L757 HydrophobicContact CE2-CD1 4.02Å; F662-L757 HydrophobicContact CZ-CD1 3.73Å; F662-L761 HydrophobicContact CD2-CD2 3.79Å; F662-L761 HydrophobicContact CE2-CD2 4.02Å
663	R	89	Confident	87	Confident	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20	-178.6	59.8	-178.6	-166.8	-75.4	4.4	115.3	D493 L659 C660 S738 F741 P743	D493-R663 IonicContact OD1-CZ 2.76Å; D493-R663 IonicContact OD1-NH2 2.64Å; D493-R663 PolarHBondContact OD1-NH2 3.27Å; D493-R663 IonicContact OD2-CZ 3.77Å; D493-R663 IonicContact OD2-NE 3.8Å; D493-R663 IonicContact OD2-NH2 3.52Å; D493-R663 PolarHBondContact OD2-NH2 2.8Å; L659-R663 HydrophobicContact CD1-CB 4.37Å; L659-R663 WeakPolarHBondContact O-CB 3.43Å; L659-R663 WeakPolarHBondContact O-CD 3.26Å; L659-R663 WeakPolarHBondContact O-CG 3.4Å; C660-R663 PolarHBondContact O-NH1 2.77Å; R663-S738 PolarHBondContact O-OG 3.1Å; R663-F741 HydrophobicContact CB-CB 4.41Å; R663-F741 HydrophobicContact CB-CD2 4.32Å; R663-P743 WeakPolarHBondContact O-CB 3.39Å
664	W	86.6	Confident	86.4	Confident	8 Å²	8	31.2 Å²	31.2	3%	0.03	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.7	178.6	-52.6	121	0	0	0	114.3	F88 D140 R142 F662 P666 F741 S742 N746 L747	F88-W664 HydrophobicContact CE1-CH2 4.14Å; F88-W664 AromaticContact CE1-CZ3 3.94Å; F88-W664 HydrophobicContact CE1-CZ3 3.94Å; F88-W664 HydrophobicContact CZ-CZ3 4.09Å; D140-W664 PolarHBondContact O-NE1 3.33Å; R142-W664 HydrophobicContact CG-CB 4.2Å; R142-W664 HydrophobicContact CG-CD2 3.56Å; R142-W664 HydrophobicContact CG-CE3 4.21Å; R142-W664 HydrophobicContact CG-CG 3.53Å; R142-W664 HydrophobicContact CG-CZ2 4.35Å; F662-W664 PolarHBondContact O-N 2.9Å; W664-P666 VanDerWaalsContact O-CD 3.32Å; W664-P666 WeakPolarHBondContact O-CD 3.35Å; W664-F741 HydrophobicContact CH2-CB 4.26Å; W664-F741 AromaticContact CH2-CD1 3.85Å; W664-F741 HydrophobicContact CH2-CD1 3.85Å; W664-F741 HydrophobicContact CH2-CG 4.44Å; W664-F741 HydrophobicContact CZ2-CD1 4.21Å; W664-F741 HydrophobicContact CZ3-CB 4.18Å; W664-S742 WeakPolarHBondContact CZ3-O 3.5Å; W664-N746 HydrophobicContact CB-CB 4.31Å; W664-N746 HydrophobicContact CD2-CB 4.42Å; W664-N746 HydrophobicContact CE3-CB 3.92Å; W664-L747 WeakPolarHBondContact O-CB 3.42Å
665	V	81.9	Confident	85.9	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.018	20%	0.202	C	C	.	.			trans	-93.1	105.1	179.5	-175.1	0	0	0	0	108.8	F662 E667 A668 L747	F662-V665 HydrophobicContact CB-CG2 4.32Å; F662-V665 HydrophobicContact CD1-CG2 3.95Å; F662-V665 PolarHBondContact O-N 3.11Å; V665-E667 VanDerWaalsContact C-N 3.25Å; V665-E667 WeakPolarHBondContact CG1-OE2 3.47Å; V665-E667 PolarHBondContact O-N 3.06Å; V665-A668 HydrophobicContact CB-CB 3.73Å; V665-A668 HydrophobicContact CG1-CB 3.72Å; V665-A668 PolarHBondContact O-N 2.71Å; V665-A668 VanDerWaalsContact O-N 3.1Å; V665-L747 HydrophobicContact CB-CD2 3.91Å; V665-L747 HydrophobicContact CG1-CD2 4.1Å; V665-L747 HydrophobicContact CG2-CD2 3.38Å
666	P	77.3	Confident	85.7	Confident	37 Å²	37	30.4 Å²	30.4	24%	0.24	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.3	-38.3	-177.8	-22.9	32.9	0	0	0	112.9	W664 A668 Q669 P743 L747	W664-P666 VanDerWaalsContact O-CD 3.32Å; W664-P666 WeakPolarHBondContact O-CD 3.35Å; P666-A668 PolarHBondContact O-N 3.37Å; P666-Q669 WeakPolarHBondContact O-CB 3.49Å; P666-Q669 PolarHBondContact O-N 2.88Å; P666-Q669 VanDerWaalsContact O-N 3.14Å; P666-P743 HydrophobicContact CB-CB 4.35Å; P666-P743 HydrophobicContact CB-CG 4.46Å; P666-P743 HydrophobicContact CG-CB 4.04Å; P666-L747 WeakPolarHBondContact CD-O 3.3Å; P666-L747 WeakPolarHBondContact CG-O 3.45Å
667	E	75.5	Confident	85.4	Confident	52 Å²	52	31.3 Å²	31.3	24%	0.243	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-74.4	-16.2	-176.3	-47.7	74.3	-169.4	0	0	112.1	V665 Q669 R749 I752	V665-E667 VanDerWaalsContact C-N 3.25Å; V665-E667 WeakPolarHBondContact CG1-OE2 3.47Å; V665-E667 PolarHBondContact O-N 3.06Å; E667-Q669 VanDerWaalsContact C-N 3.3Å; E667-R749 HydrophobicContact CG-CB 4.41Å; E667-R749 WeakPolarHBondContact OE1-CB 3.49Å; E667-R749 PolarHBondContact OE1-N 2.89Å; E667-R749 VanDerWaalsContact OE1-N 3.13Å; E667-R749 VanDerWaalsContact OE1-O 3.12Å; E667-R749 WeakPolarHBondContact OE2-CB 3.41Å; E667-I752 HydrophobicContact CB-CB 4.29Å; E667-I752 HydrophobicContact CB-CD1 3.9Å; E667-I752 HydrophobicContact CB-CG1 3.65Å; E667-I752 HydrophobicContact CB-CG2 4.03Å; E667-I752 WeakPolarHBondContact O-CD1 3.22Å; E667-I752 WeakPolarHBondContact O-CG1 3.27Å
668	A	78.9	Confident	85	Confident	5 Å²	5	33.4 Å²	33.4	4%	0.041	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-86.3	-4.5	174.2	0	0	0	0	0	113.6	F662 V665 P666 I670 I752 L761	F662-A668 HydrophobicContact CB-CB 4.07Å; F662-A668 HydrophobicContact CG-CB 4.47Å; V665-A668 HydrophobicContact CB-CB 3.73Å; V665-A668 HydrophobicContact CG1-CB 3.72Å; V665-A668 PolarHBondContact O-N 2.71Å; V665-A668 VanDerWaalsContact O-N 3.1Å; P666-A668 PolarHBondContact O-N 3.37Å; A668-I670 PolarHBondContact O-N 3.02Å; A668-I752 HydrophobicContact CB-CD1 4.43Å; A668-L761 VanDerWaalsContact CA-CD1 3.47Å; A668-L761 HydrophobicContact CB-CD1 3.39Å; A668-L761 HydrophobicContact CB-CD2 4.3Å; A668-L761 HydrophobicContact CB-CG 4.49Å
669	Q	80.2	Confident	84.9	Confident	63 Å²	63	31.5 Å²	31.5	29%	0.294	20%	0.201	S	C	.	.			trans	-70.4	125	-178.1	-173.1	174.8	-24.3	0	0	110.7	P666 E667 S736	P666-Q669 WeakPolarHBondContact O-CB 3.49Å; P666-Q669 PolarHBondContact O-N 2.88Å; P666-Q669 VanDerWaalsContact O-N 3.14Å; E667-Q669 VanDerWaalsContact C-N 3.3Å; Q669-S736 WeakPolarHBondContact CG-OG 3.43Å; Q669-S736 PolarHBondContact NE2-OG 3.01Å
670	I	82.2	Confident	84.8	Confident	48 Å²	48	31.7 Å²	31.7	25%	0.246	20%	0.202	C	C	.	.			trans	-100.3	110.1	171.6	-54.5	165.8	0	0	0	106.9	A668 S736 S737 L761	A668-I670 PolarHBondContact O-N 3.02Å; I670-S736 CarbonylContact O-C 3.56Å; I670-S736 WeakPolarHBondContact O-CA 3.41Å; I670-S737 PolarHBondContact N-OG 3Å; I670-S737 PolarHBondContact O-N 2.97Å; I670-L761 HydrophobicContact CD1-CB 4.48Å; I670-L761 WeakPolarHBondContact CD1-O 3.12Å
671	S	84.5	Confident	84.7	Confident	76 Å²	76	36 Å²	36	53%	0.531	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-78.5	143.2	176.7	-58.8	0	0	0	0	111.1	G673	S671-G673 VanDerWaalsContact C-N 3.26Å; S671-G673 PolarHBondContact O-N 3.1Å; S671-G673 VanDerWaalsContact O-N 3.12Å
672	L	80.7	Confident	84.5	Confident	92 Å²	92	38.4 Å²	38.4	48%	0.482	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	30	167.7	-63.6	174.2	0	0	0	115.8	T731 P732 L735	L672-T731 HydrophobicContact CD2-CG2 3.81Å; L672-P732 WeakPolarHBondContact CD2-O 3.28Å; L672-L735 PolarHBondContact N-O 3.1Å
673	G	78.9	Confident	84.6	Confident	19 Å²	19	38.1 Å²	38.1	20%	0.196	23%	0.232	C	C	.	.			trans	-158.5	179.9	178	0	0	0	0	0	114.6	S671 I676 T677	S671-G673 VanDerWaalsContact C-N 3.26Å; S671-G673 PolarHBondContact O-N 3.1Å; S671-G673 VanDerWaalsContact O-N 3.12Å; G673-I676 VanDerWaalsContact O-CG2 3.3Å; G673-I676 WeakPolarHBondContact O-CG2 3.38Å; G673-T677 VanDerWaalsContact CA-OG1 3.25Å; G673-T677 WeakPolarHBondContact CA-OG1 3.35Å; G673-T677 PolarHBondContact N-OG1 2.89Å
674	G	80	Confident	84.8	Confident	58 Å²	58	40.1 Å²	40.1	60%	0.598	24%	0.243	S	C	*	.	S	Bend	trans	79.2	-160.2	175.6	0	0	0	0	0	114.9	I676 T677 A678	G674-I676 PolarHBondContact O-N 3.2Å; G674-T677 PolarHBondContact O-N 3.41Å; G674-A678 PolarHBondContact O-N 3.4Å
675	S	84.2	Confident	85	Confident	73 Å²	73	44.1 Å²	44.1	51%	0.51	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-33.1	-176	53	0	0	0	0	112.8	A678 F679	S675-A678 PolarHBondContact O-N 3.03Å; S675-F679 WeakPolarHBondContact O-CB 3.46Å; S675-F679 PolarHBondContact O-N 2.86Å
676	I	88.1	Confident	85.2	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-37.3	-179.7	-174	58	0	0	0	113.2	G673 G674 A678 F679 H680 L735 S736 F739	G673-I676 VanDerWaalsContact O-CG2 3.3Å; G673-I676 WeakPolarHBondContact O-CG2 3.38Å; G674-I676 PolarHBondContact O-N 3.2Å; I676-A678 VanDerWaalsContact C-N 3.32Å; I676-F679 HydrophobicContact CD1-CB 4.34Å; I676-F679 HydrophobicContact CD1-CD1 4.14Å; I676-F679 HydrophobicContact CD1-CG 4.49Å; I676-F679 WeakPolarHBondContact O-CB 3.45Å; I676-F679 PolarHBondContact O-N 2.61Å; I676-H680 WeakPolarHBondContact O-CB 3.41Å; I676-H680 PolarHBondContact O-N 2.78Å; I676-L735 HydrophobicContact CG1-CB 4.47Å; I676-L735 HydrophobicContact CG1-CD2 4.12Å; I676-S736 WeakPolarHBondContact CG2-O 3.33Å; I676-F739 HydrophobicContact CD1-CB 3.94Å; I676-F739 HydrophobicContact CD1-CD1 3.3Å; I676-F739 HydrophobicContact CD1-CE1 4.06Å; I676-F739 HydrophobicContact CD1-CG 3.84Å; I676-F739 HydrophobicContact CG1-CB 3.91Å; I676-F739 HydrophobicContact CG1-CD1 4.17Å; I676-F739 HydrophobicContact CG1-CG 4.21Å
677	T	87.6	Confident	85.8	Confident	28 Å²	28	43.7 Å²	43.7	17%	0.172	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-39	177.2	-54.5	0	0	0	0	110.3	G673 G674 K681 T731	G673-T677 VanDerWaalsContact CA-OG1 3.25Å; G673-T677 WeakPolarHBondContact CA-OG1 3.35Å; G673-T677 PolarHBondContact N-OG1 2.89Å; G674-T677 PolarHBondContact O-N 3.41Å; T677-K681 WeakPolarHBondContact O-CG 3.35Å; T677-K681 PolarHBondContact O-N 3.15Å; T677-T731 HydrophobicContact CG2-CG2 4.1Å
678	A	87.8	Confident	86.5	Confident	44 Å²	44	46 Å²	46	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-46.5	172.5	0	0	0	0	0	111.2	F556 G674 S675 I676 H680 K681 L682	F556-A678 HydrophobicContact CZ-CB 4.48Å; G674-A678 PolarHBondContact O-N 3.4Å; S675-A678 PolarHBondContact O-N 3.03Å; I676-A678 VanDerWaalsContact C-N 3.32Å; A678-H680 PolarHBondContact O-N 2.98Å; A678-K681 PolarHBondContact O-N 3.07Å; A678-L682 VanDerWaalsContact O-CB 3.32Å; A678-L682 WeakPolarHBondContact O-CB 3.43Å; A678-L682 WeakPolarHBondContact O-CD1 3.42Å; A678-L682 WeakPolarHBondContact O-CG 3.48Å; A678-L682 PolarHBondContact O-N 3.02Å
679	F	89.6	Confident	86.8	Confident	27 Å²	27	49.5 Å²	49.5	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-50.6	175	-179.5	-84.6	0	0	0	111.3	P555 S675 I676 L682 S683 F718	P555-F679 HydrophobicContact CG-CD2 3.74Å; P555-F679 HydrophobicContact CG-CE2 3.79Å; P555-F679 HydrophobicContact CG-CG 4.29Å; P555-F679 HydrophobicContact CG-CZ 4.36Å; S675-F679 WeakPolarHBondContact O-CB 3.46Å; S675-F679 PolarHBondContact O-N 2.86Å; I676-F679 HydrophobicContact CD1-CB 4.34Å; I676-F679 HydrophobicContact CD1-CD1 4.14Å; I676-F679 HydrophobicContact CD1-CG 4.49Å; I676-F679 WeakPolarHBondContact O-CB 3.45Å; I676-F679 PolarHBondContact O-N 2.61Å; F679-L682 PolarHBondContact O-N 2.69Å; F679-S683 WeakPolarHBondContact O-CB 3.39Å; F679-S683 PolarHBondContact O-N 2.8Å; F679-S683 PolarHBondContact O-OG 3.29Å; F679-F718 HydrophobicContact CD1-CD2 4.43Å; F679-F718 HydrophobicContact CD1-CE2 4.15Å; F679-F718 HydrophobicContact CE1-CD2 4.31Å; F679-F718 HydrophobicContact CE1-CE2 4.13Å
680	H	91.6	Very high	87	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-56.5	-54.3	177.2	166.3	-114.7	0	0	0	112.4	I676 A678 L682 S683 L684 F718 P732 L735	I676-H680 WeakPolarHBondContact O-CB 3.41Å; I676-H680 PolarHBondContact O-N 2.78Å; A678-H680 PolarHBondContact O-N 2.98Å; H680-L682 VanDerWaalsContact C-N 3.27Å; H680-L682 PolarHBondContact O-N 3.05Å; H680-S683 WeakPolarHBondContact O-CB 3.42Å; H680-S683 PolarHBondContact O-N 2.84Å; H680-L684 WeakPolarHBondContact O-CG 3.26Å; H680-L684 PolarHBondContact O-N 2.77Å; H680-L684 VanDerWaalsContact O-N 3.07Å; H680-F718 HydrophobicContact CB-CD2 4.3Å; H680-F718 HydrophobicContact CB-CE2 4.27Å; H680-F718 AromaticContact CD2-CD1 3.63Å; H680-F718 AromaticContact CD2-CD2 3.87Å; H680-F718 AromaticContact CD2-CG 3.54Å; H680-P732 WeakPolarHBondContact CE1-CD 3.37Å; H680-P732 WeakPolarHBondContact NE2-CD 3.44Å; H680-L735 HydrophobicContact CB-CD1 3.64Å
681	K	91.1	Very high	87.2	Confident	90 Å²	90	47.8 Å²	47.8	39%	0.391	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-35.4	-178.4	-67.4	-63.9	-175.4	-175.8	0	112	T677 A678 L685 S729	T677-K681 WeakPolarHBondContact O-CG 3.35Å; T677-K681 PolarHBondContact O-N 3.15Å; A678-K681 PolarHBondContact O-N 3.07Å; K681-L685 PolarHBondContact O-N 3.45Å; K681-L685 VanDerWaalsContact O-N 3.11Å; K681-S729 PolarHBondContact NZ-O 2.93Å
682	L	90.7	Very high	87.3	Confident	53 Å²	53	48.1 Å²	48.1	28%	0.277	29%	0.285	S	S	.	.	H	α-helix	trans	-74.1	-34.9	175.9	-74.8	164.5	0	0	0	113.2	P555 F556 A678 F679 H680 L684 L685 A686	P555-L682 HydrophobicContact CB-CB 4.27Å; P555-L682 HydrophobicContact CG-CB 4.3Å; F556-L682 HydrophobicContact CD1-CD1 3.6Å; F556-L682 HydrophobicContact CD2-CD1 4.08Å; F556-L682 HydrophobicContact CE1-CD1 3.01Å; F556-L682 HydrophobicContact CE1-CG 4.48Å; F556-L682 HydrophobicContact CE2-CD1 3.55Å; F556-L682 HydrophobicContact CG-CD1 4.13Å; F556-L682 HydrophobicContact CZ-CD1 3Å; F556-L682 HydrophobicContact CZ-CG 4.47Å; A678-L682 VanDerWaalsContact O-CB 3.32Å; A678-L682 WeakPolarHBondContact O-CB 3.43Å; A678-L682 WeakPolarHBondContact O-CD1 3.42Å; A678-L682 WeakPolarHBondContact O-CG 3.48Å; A678-L682 PolarHBondContact O-N 3.02Å; F679-L682 PolarHBondContact O-N 2.69Å; H680-L682 VanDerWaalsContact C-N 3.27Å; H680-L682 PolarHBondContact O-N 3.05Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-L685 HydrophobicContact CD2-CD2 4.41Å; L682-L685 PolarHBondContact O-N 2.93Å; L682-A686 VanDerWaalsContact O-CB 3.23Å; L682-A686 WeakPolarHBondContact O-CB 3.47Å; L682-A686 PolarHBondContact O-N 2.74Å
683	S	91	Very high	87.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-45.6	171.3	-66.8	0	0	0	0	111	F679 H680 A686 D687	F679-S683 WeakPolarHBondContact O-CB 3.39Å; F679-S683 PolarHBondContact O-N 2.8Å; F679-S683 PolarHBondContact O-OG 3.29Å; H680-S683 WeakPolarHBondContact O-CB 3.42Å; H680-S683 PolarHBondContact O-N 2.84Å; S683-A686 PolarHBondContact O-N 2.88Å; S683-D687 WeakPolarHBondContact O-CB 3.38Å; S683-D687 PolarHBondContact O-N 2.77Å
684	L	91.9	Very high	87.5	Confident	44 Å²	44	47.7 Å²	47.7	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-47.5	175.5	-64.6	179.6	0	0	0	111.8	H680 L682 D687 E688 F718 N719	H680-L684 WeakPolarHBondContact O-CG 3.26Å; H680-L684 PolarHBondContact O-N 2.77Å; H680-L684 VanDerWaalsContact O-N 3.07Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L684-D687 PolarHBondContact O-N 2.9Å; L684-E688 WeakPolarHBondContact O-CB 3.31Å; L684-E688 PolarHBondContact O-N 3.11Å; L684-F718 HydrophobicContact CD2-CB 3.97Å; L684-F718 HydrophobicContact CG-CB 4.47Å; L684-N719 VanDerWaalsContact CD2-C 3.49Å; L684-N719 WeakPolarHBondContact CD2-O 3.48Å
685	L	90.7	Very high	87.7	Confident	92 Å²	92	49.7 Å²	49.7	48%	0.482	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-43.3	178.6	179.2	62.7	0	0	0	112.1	K681 L682 D687 E688 V689	K681-L685 PolarHBondContact O-N 3.45Å; K681-L685 VanDerWaalsContact O-N 3.11Å; L682-L685 HydrophobicContact CD2-CD2 4.41Å; L682-L685 PolarHBondContact O-N 2.93Å; L685-D687 VanDerWaalsContact C-N 3.33Å; L685-E688 PolarHBondContact O-N 2.75Å; L685-V689 HydrophobicContact CD1-CG2 4.35Å; L685-V689 WeakPolarHBondContact O-CB 3.29Å; L685-V689 VanDerWaalsContact O-CG2 3.26Å; L685-V689 WeakPolarHBondContact O-CG2 3.29Å; L685-V689 PolarHBondContact O-N 2.67Å
686	A	87.7	Confident	87.6	Confident	25 Å²	25	51.5 Å²	51.5	21%	0.207	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-36.8	-179.5	0	0	0	0	0	111.7	L682 S683 D690 M716	L682-A686 VanDerWaalsContact O-CB 3.23Å; L682-A686 WeakPolarHBondContact O-CB 3.47Å; L682-A686 PolarHBondContact O-N 2.74Å; S683-A686 PolarHBondContact O-N 2.88Å; A686-D690 PolarHBondContact O-N 3.41Å; A686-D690 VanDerWaalsContact O-N 3.07Å; A686-M716 HydrophobicContact CB-CE 3.61Å; A686-M716 HydrophobicContact CB-CG 4.45Å; A686-M716 HydrophobicContact CB-SD 4.29Å
687	D	88.8	Confident	87.2	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-46.9	172.7	-172.5	63.9	0	0	0	111.7	S683 L684 L685 V689 D690 V691 S714 M716 N719 A720	S683-D687 WeakPolarHBondContact O-CB 3.38Å; S683-D687 PolarHBondContact O-N 2.77Å; L684-D687 PolarHBondContact O-N 2.9Å; L685-D687 VanDerWaalsContact C-N 3.33Å; D687-V689 VanDerWaalsContact C-N 3.34Å; D687-V689 PolarHBondContact O-N 2.99Å; D687-D690 PolarHBondContact O-N 2.72Å; D687-D690 VanDerWaalsContact O-N 3.13Å; D687-V691 WeakPolarHBondContact O-CG2 3.25Å; D687-V691 PolarHBondContact O-N 2.93Å; D687-S714 WeakPolarHBondContact OD1-CB 3.17Å; D687-S714 PolarHBondContact OD1-OG 3.24Å; D687-M716 HydrophobicContact CB-CB 4.17Å; D687-M716 HydrophobicContact CB-CG 4.05Å; D687-N719 VanDerWaalsContact OD2-CA 3.27Å; D687-N719 WeakPolarHBondContact OD2-CA 3.35Å; D687-N719 WeakPolarHBondContact OD2-CB 3.33Å; D687-A720 PolarHBondContact OD2-N 3.13Å
688	E	89.6	Confident	86.8	Confident	100 Å²	100	62.7 Å²	62.7	47%	0.467	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-44.5	176.3	-173.3	-179.4	179.7	0	0	111.6	L684 L685 D690 V691 L692 A720	L684-E688 WeakPolarHBondContact O-CB 3.31Å; L684-E688 PolarHBondContact O-N 3.11Å; L685-E688 PolarHBondContact O-N 2.75Å; E688-D690 VanDerWaalsContact C-N 3.33Å; E688-D690 PolarHBondContact O-N 3.14Å; E688-V691 PolarHBondContact O-N 3.39Å; E688-L692 HydrophobicContact CG-CD1 4.13Å; E688-L692 WeakPolarHBondContact O-CB 3.41Å; E688-L692 VanDerWaalsContact O-CG 3.3Å; E688-L692 WeakPolarHBondContact O-CG 3.44Å; E688-L692 PolarHBondContact O-N 3.06Å; E688-A720 HydrophobicContact CB-CB 4.33Å
689	V	87.2	Confident	86.1	Confident	79 Å²	79	67 Å²	67	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-38.8	176.3	170.1	0	0	0	0	111.9	L685 D687 S693	L685-V689 HydrophobicContact CD1-CG2 4.35Å; L685-V689 WeakPolarHBondContact O-CB 3.29Å; L685-V689 VanDerWaalsContact O-CG2 3.26Å; L685-V689 WeakPolarHBondContact O-CG2 3.29Å; L685-V689 PolarHBondContact O-N 2.67Å; D687-V689 VanDerWaalsContact C-N 3.34Å; D687-V689 PolarHBondContact O-N 2.99Å; V689-S693 VanDerWaalsContact O-CB 3.25Å; V689-S693 WeakPolarHBondContact O-CB 3.13Å; V689-S693 PolarHBondContact O-N 3.43Å; V689-S693 PolarHBondContact O-OG 3.1Å
690	D	84.1	Confident	85.2	Confident	39 Å²	39	75.3 Å²	75.3	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-69.2	-42.1	176.8	-172.4	65.5	0	0	0	111.8	A686 D687 E688 S693 R694	A686-D690 PolarHBondContact O-N 3.41Å; A686-D690 VanDerWaalsContact O-N 3.07Å; D687-D690 PolarHBondContact O-N 2.72Å; D687-D690 VanDerWaalsContact O-N 3.13Å; E688-D690 VanDerWaalsContact C-N 3.33Å; E688-D690 PolarHBondContact O-N 3.14Å; D690-S693 PolarHBondContact O-N 3.03Å; D690-R694 WeakPolarHBondContact O-CG 3.36Å; D690-R694 PolarHBondContact O-N 3.01Å; D690-R694 IonicContact OD2-CZ 3.15Å; D690-R694 IonicContact OD2-NE 3.54Å; D690-R694 PolarHBondContact OD2-NE 3.39Å; D690-R694 IonicContact OD2-NH2 2.71Å; D690-R694 PolarHBondContact OD2-NH2 2.94Å
691	V	85.9	Confident	83.9	Confident	37 Å²	37	79.6 Å²	79.6	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-59.1	-51.5	173.5	172.4	0	0	0	0	110.6	D687 E688 S693 R694 M695	D687-V691 WeakPolarHBondContact O-CG2 3.25Å; D687-V691 PolarHBondContact O-N 2.93Å; E688-V691 PolarHBondContact O-N 3.39Å; V691-S693 VanDerWaalsContact C-N 3.31Å; V691-S693 PolarHBondContact O-N 3.43Å; V691-R694 WeakPolarHBondContact O-CB 3.49Å; V691-R694 PolarHBondContact O-N 3.47Å; V691-R694 VanDerWaalsContact O-N 3.12Å; V691-M695 HydrophobicContact CG1-CG 4.49Å; V691-M695 HydrophobicContact CG1-SD 4.01Å; V691-M695 WeakPolarHBondContact O-CG 3.44Å; V691-M695 PolarHBondContact O-N 3.08Å
692	L	86	Confident	82.3	Confident	83 Å²	83	77.5 Å²	77.5	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-40.2	177.8	-71.4	172.5	0	0	0	112	E688 R694 M695 L696	E688-L692 HydrophobicContact CG-CD1 4.13Å; E688-L692 WeakPolarHBondContact O-CB 3.41Å; E688-L692 VanDerWaalsContact O-CG 3.3Å; E688-L692 WeakPolarHBondContact O-CG 3.44Å; E688-L692 PolarHBondContact O-N 3.06Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.37Å; L692-M695 HydrophobicContact CD2-SD 4.47Å; L692-M695 PolarHBondContact O-N 2.85Å; L692-L696 WeakPolarHBondContact O-CB 3.08Å; L692-L696 WeakPolarHBondContact O-CG 3.2Å; L692-L696 PolarHBondContact O-N 3.23Å
693	S	83.3	Confident	80.4	Confident	37 Å²	37	81.4 Å²	81.4	26%	0.259	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-37.5	176.1	-65.8	0	0	0	0	112.3	V689 D690 V691 R697	V689-S693 VanDerWaalsContact O-CB 3.25Å; V689-S693 WeakPolarHBondContact O-CB 3.13Å; V689-S693 PolarHBondContact O-N 3.43Å; V689-S693 PolarHBondContact O-OG 3.1Å; D690-S693 PolarHBondContact O-N 3.03Å; V691-S693 VanDerWaalsContact C-N 3.31Å; V691-S693 PolarHBondContact O-N 3.43Å; S693-R697 VanDerWaalsContact O-CG 3.31Å; S693-R697 WeakPolarHBondContact O-CG 3.24Å; S693-R697 PolarHBondContact O-N 2.73Å
694	R	81.7	Confident	78.3	Confident	64 Å²	64	88.7 Å²	88.7	24%	0.242	46%	0.463	C	S	.	.	H	α-helix	trans	-67.4	-46.5	173.8	-74.8	-175.5	-75	-176.9	-1.3	111.4	D690 V691 L692 L696 R697 Q698 G712	D690-R694 WeakPolarHBondContact O-CG 3.36Å; D690-R694 PolarHBondContact O-N 3.01Å; D690-R694 IonicContact OD2-CZ 3.15Å; D690-R694 IonicContact OD2-NE 3.54Å; D690-R694 PolarHBondContact OD2-NE 3.39Å; D690-R694 IonicContact OD2-NH2 2.71Å; D690-R694 PolarHBondContact OD2-NH2 2.94Å; V691-R694 WeakPolarHBondContact O-CB 3.49Å; V691-R694 PolarHBondContact O-N 3.47Å; V691-R694 VanDerWaalsContact O-N 3.12Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.37Å; R694-L696 VanDerWaalsContact C-N 3.34Å; R694-L696 PolarHBondContact O-N 3.43Å; R694-R697 PolarHBondContact O-N 3.13Å; R694-R697 VanDerWaalsContact O-N 3.14Å; R694-Q698 WeakPolarHBondContact O-CG 3.34Å; R694-Q698 PolarHBondContact O-N 3.42Å; R694-G712 PolarHBondContact NH1-O 3.38Å
695	M	83.2	Confident	75.9	Confident	101 Å²	101	95.4 Å²	95.4	50%	0.498	49%	0.493	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.8	-67.6	174.5	73	0	0	112.1	V691 L692 R697 Q698 Q699	V691-M695 HydrophobicContact CG1-CG 4.49Å; V691-M695 HydrophobicContact CG1-SD 4.01Å; V691-M695 WeakPolarHBondContact O-CG 3.44Å; V691-M695 PolarHBondContact O-N 3.08Å; L692-M695 HydrophobicContact CD2-SD 4.47Å; L692-M695 PolarHBondContact O-N 2.85Å; M695-R697 VanDerWaalsContact C-N 3.32Å; M695-R697 PolarHBondContact O-N 2.88Å; M695-Q698 PolarHBondContact O-N 3.41Å; M695-Q699 WeakPolarHBondContact O-CG 3.29Å; M695-Q699 PolarHBondContact O-N 3.41Å
696	L	81.8	Confident	73.7	Confident	110 Å²	110	95.7 Å²	95.7	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-33.6	176.6	-75.5	171.5	0	0	0	113.1	L692 R694	L692-L696 WeakPolarHBondContact O-CB 3.08Å; L692-L696 WeakPolarHBondContact O-CG 3.2Å; L692-L696 PolarHBondContact O-N 3.23Å; R694-L696 VanDerWaalsContact C-N 3.34Å; R694-L696 PolarHBondContact O-N 3.43Å
697	R	80.2	Confident	71.3	Confident	164 Å²	164	98.8 Å²	98.8	62%	0.619	53%	0.528	S	S	*	.	H	α-helix	trans	-69.7	-40.7	174	-73.3	173.1	-170.5	165.6	6.6	111.4	S693 R694 M695 R700	S693-R697 VanDerWaalsContact O-CG 3.31Å; S693-R697 WeakPolarHBondContact O-CG 3.24Å; S693-R697 PolarHBondContact O-N 2.73Å; R694-R697 PolarHBondContact O-N 3.13Å; R694-R697 VanDerWaalsContact O-N 3.14Å; M695-R697 VanDerWaalsContact C-N 3.32Å; M695-R697 PolarHBondContact O-N 2.88Å; R697-R700 PolarHBondContact O-N 2.94Å
698	Q	78.4	Confident	69.1	Low	113 Å²	113	108.5 Å²	108.5	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-39.7	177.6	-71.6	172.9	-14.7	0	0	112.4	R694 M695 R700 S701	R694-Q698 WeakPolarHBondContact O-CG 3.34Å; R694-Q698 PolarHBondContact O-N 3.42Å; M695-Q698 PolarHBondContact O-N 3.41Å; Q698-R700 PolarHBondContact O-N 2.81Å; Q698-S701 PolarHBondContact O-N 2.94Å; Q698-S701 PolarHBondContact O-OG 2.89Å
699	Q	73.6	Confident	66.8	Low	133 Å²	133	107.2 Å²	107.2	62%	0.621	58%	0.579	S	S	*	*	H	α-helix	trans	-60.5	-29.1	176	-76.9	-107.6	-43.3	0	0	113.3	M695 S701	M695-Q699 WeakPolarHBondContact O-CG 3.29Å; M695-Q699 PolarHBondContact O-N 3.41Å; Q699-S701 VanDerWaalsContact C-N 3.27Å; Q699-S701 PolarHBondContact O-N 3.23Å
700	R	70.7	Confident	64.7	Low	202 Å²	202	111.3 Å²	111.3	76%	0.762	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-13.8	177.1	-71.2	178.6	-179.5	-172.5	-0.5	113.6	R697 Q698	R697-R700 PolarHBondContact O-N 2.94Å; Q698-R700 PolarHBondContact O-N 2.81Å
701	S	64.2	Low	63	Low	100 Å²	100	115.6 Å²	115.6	70%	0.699	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	9.3	-173.1	44.4	0	0	0	0	116.2	Q698 Q699	Q698-S701 PolarHBondContact O-N 2.94Å; Q698-S701 PolarHBondContact O-OG 2.89Å; Q699-S701 VanDerWaalsContact C-N 3.27Å; Q699-S701 PolarHBondContact O-N 3.23Å
702	G	57.5	Low	61.6	Low	45 Å²	45	115.7 Å²	115.7	46%	0.464	62%	0.624	S	S	.	*	S	Bend	trans	110.5	180	174.9	0	0	0	0	0	114.7
703	P	51.1	Low	60.7	Low	135 Å²	135	118.7 Å²	118.7	88%	0.877	64%	0.636	S	S	*	*			trans	-69.5	147.3	-159.5	-13.7	27.7	0	0	0	114.6	E705	P703-E705 PolarHBondContact O-N 3.15Å; P703-E705 VanDerWaalsContact O-N 3.07Å
704	L	46.3	Very low	60.4	Low	155 Å²	155	118.2 Å²	118.2	81%	0.812	63%	0.632	S	S	*	*			trans	-68	89.4	-173.8	-70.8	148	0	0	0	112.9
705	E	42.5	Very low	60.4	Low	184 Å²	184	123.5 Å²	123.5	86%	0.86	65%	0.652	S	S	*	*			trans	-89.1	133.5	151.7	-82.1	-171.8	165.9	0	0	109.6	P703 C707	P703-E705 PolarHBondContact O-N 3.15Å; P703-E705 VanDerWaalsContact O-N 3.07Å; E705-C707 PolarHBondContact O-N 2.81Å
706	A	43.5	Very low	60.7	Low	99 Å²	99	120.5 Å²	120.5	82%	0.818	64%	0.637	S	S	*	*			trans	-47.3	93.7	-167.1	0	0	0	0	0	114.6
707	C	37.3	Very low	60.9	Low	90 Å²	90	116.3 Å²	116.3	61%	0.608	61%	0.614	S	S	*	*			trans	-114.5	59.7	169.9	-153.4	0	0	0	0	110.5	E705	E705-C707 PolarHBondContact O-N 2.81Å
708	Y	43.6	Very low	61.4	Low	209 Å²	209	109.3 Å²	109.3	82%	0.82	59%	0.588	S	S	*	*			trans	-81.6	2.5	163.1	-72.3	-77.9	0	0	0	112.1
709	G	41.3	Very low	61.6	Low	73 Å²	73	108.5 Å²	108.5	75%	0.753	59%	0.587	S	S	*	*	S	Bend	trans	-85.3	-19.5	-171.6	0	0	0	0	0	116.6
710	E	43.1	Very low	61.7	Low	165 Å²	165	104.1 Å²	104.1	77%	0.771	57%	0.574	S	S	*	*			trans	-126.4	61	178.7	-72.9	-169.8	164	0	0	111.3	G712	E710-G712 PolarHBondContact O-N 3.49Å
711	L	48.7	Very low	61.5	Low	128 Å²	128	98.4 Å²	98.4	67%	0.67	57%	0.565	S	S	*	*			trans	-64	85.8	155.8	-85.7	156.1	0	0	0	107.3	Q713	L711-Q713 PolarHBondContact O-N 2.83Å
712	G	56.6	Low	61	Low	40 Å²	40	96.1 Å²	96.1	41%	0.412	56%	0.557	S	S	.	*			trans	-49.5	140.3	178.6	0	0	0	0	0	111	R694 E710 S714	R694-G712 PolarHBondContact NH1-O 3.38Å; E710-G712 PolarHBondContact O-N 3.49Å; G712-S714 PolarHBondContact O-N 2.82Å
713	Q	66.1	Low	60.4	Low	146 Å²	146	100.3 Å²	100.3	68%	0.682	58%	0.576	S	S	*	*			trans	-39.9	123.5	-176.2	-165.3	167.8	16.3	0	0	111.6	L711	L711-Q713 PolarHBondContact O-N 2.83Å
714	S	77.1	Confident	59.8	Low	26 Å²	26	102.4 Å²	102.4	18%	0.182	57%	0.574	C	S	.	*			trans	-55.6	142.7	178.2	174	0	0	0	0	110.4	D687 G712 M716	D687-S714 WeakPolarHBondContact OD1-CB 3.17Å; D687-S714 PolarHBondContact OD1-OG 3.24Å; G712-S714 PolarHBondContact O-N 2.82Å; S714-M716 VanDerWaalsContact C-N 3.28Å; S714-M716 PolarHBondContact OG-N 3.2Å; S714-M716 VanDerWaalsContact OG-N 3.08Å; S714-M716 PolarHBondContact OG-O 3.47Å
715	R	82.3	Confident	59.5	Low	176 Å²	176	101.8 Å²	101.8	66%	0.664	57%	0.566	S	S	*	*	S	Bend	trans	-80.9	-12.7	174.8	-66.2	-179.9	176.2	-173.1	-1.9	112.6
716	M	87.8	Confident	59.5	Low	37 Å²	37	99.9 Å²	99.9	18%	0.182	57%	0.568	C	S	.	*	S	Bend	trans	-104.5	146.9	-177.3	-62.6	-63.8	162.7	0	0	110.1	P555 A686 D687 S714 F718	P555-M716 HydrophobicContact CB-SD 4.18Å; A686-M716 HydrophobicContact CB-CE 3.61Å; A686-M716 HydrophobicContact CB-CG 4.45Å; A686-M716 HydrophobicContact CB-SD 4.29Å; D687-M716 HydrophobicContact CB-CB 4.17Å; D687-M716 HydrophobicContact CB-CG 4.05Å; S714-M716 VanDerWaalsContact C-N 3.28Å; S714-M716 PolarHBondContact OG-N 3.2Å; S714-M716 VanDerWaalsContact OG-N 3.08Å; S714-M716 PolarHBondContact OG-O 3.47Å; M716-F718 VanDerWaalsContact CB-O 3.23Å; M716-F718 WeakPolarHBondContact CB-O 3.33Å
717	Y	88	Confident	59.4	Low	23 Å²	23	101 Å²	101	9%	0.09	56%	0.559	C	S	.	*	S	Bend	trans	-67.1	-42.9	175.9	-177.2	-91.8	0	0	0	111.7	H89 K547 T550 L551 F739	H89-Y717 PolarHBondContact O-OH 3.4Å; K547-Y717 HydrophobicContact CG-CD2 4.34Å; K547-Y717 HydrophobicContact CG-CE2 4.32Å; T550-Y717 WeakPolarHBondContact OG1-CA 2.98Å; T550-Y717 VanDerWaalsContact OG1-CB 3.27Å; T550-Y717 WeakPolarHBondContact OG1-CB 3.19Å; T550-Y717 PolarHBondContact OG1-N 2.94Å; L551-Y717 HydrophobicContact CD1-CD2 3.82Å; L551-Y717 HydrophobicContact CD1-CE2 3.79Å; L551-Y717 HydrophobicContact CD1-CG 4.43Å; L551-Y717 HydrophobicContact CD2-CD1 3.82Å; L551-Y717 HydrophobicContact CD2-CD2 3.69Å; L551-Y717 HydrophobicContact CD2-CE1 4.39Å; L551-Y717 HydrophobicContact CD2-CE2 4.23Å; L551-Y717 HydrophobicContact CD2-CG 3.43Å; L551-Y717 VanDerWaalsContact CD2-CG 3.43Å; L551-Y717 HydrophobicContact CG-CD2 3.44Å; L551-Y717 VanDerWaalsContact CG-CD2 3.44Å; L551-Y717 HydrophobicContact CG-CE2 3.96Å; L551-Y717 HydrophobicContact CG-CG 3.73Å; Y717-F739 HydrophobicContact CD1-CZ 4.06Å; Y717-F739 HydrophobicContact CE1-CE2 4.35Å; Y717-F739 AromaticContact CE1-CZ 3.67Å; Y717-F739 HydrophobicContact CE1-CZ 3.67Å
718	F	89.4	Confident	59.7	Low	17 Å²	17	102.7 Å²	102.7	8%	0.075	57%	0.568	C	S	.	*	S	Bend	trans	-96	124.2	169.9	-56	-74.3	0	0	0	108.5	F679 H680 L684 M716 F734 L735 F739	F679-F718 HydrophobicContact CD1-CD2 4.43Å; F679-F718 HydrophobicContact CD1-CE2 4.15Å; F679-F718 HydrophobicContact CE1-CD2 4.31Å; F679-F718 HydrophobicContact CE1-CE2 4.13Å; H680-F718 HydrophobicContact CB-CD2 4.3Å; H680-F718 HydrophobicContact CB-CE2 4.27Å; H680-F718 AromaticContact CD2-CD1 3.63Å; H680-F718 AromaticContact CD2-CD2 3.87Å; H680-F718 AromaticContact CD2-CG 3.54Å; L684-F718 HydrophobicContact CD2-CB 3.97Å; L684-F718 HydrophobicContact CG-CB 4.47Å; M716-F718 VanDerWaalsContact CB-O 3.23Å; M716-F718 WeakPolarHBondContact CB-O 3.33Å; F718-F734 HydrophobicContact CE1-CE2 4.43Å; F718-F734 HydrophobicContact CE1-CZ 4.24Å; F718-L735 HydrophobicContact CE1-CD2 4.27Å; F718-L735 HydrophobicContact CZ-CD2 3.71Å; F718-F739 HydrophobicContact CE1-CZ 4.44Å; F718-F739 HydrophobicContact CE2-CE1 4.05Å; F718-F739 HydrophobicContact CE2-CZ 4.08Å; F718-F739 AromaticContact CZ-CE1 3.9Å; F718-F739 HydrophobicContact CZ-CE1 3.9Å; F718-F739 HydrophobicContact CZ-CE2 4.06Å; F718-F739 AromaticContact CZ-CZ 3.51Å; F718-F739 HydrophobicContact CZ-CZ 3.51Å
719	N	83.6	Confident	60.3	Low	95 Å²	95	98.3 Å²	98.3	51%	0.508	57%	0.567	S	S	.	*			trans	-112.9	149.4	-179.6	55.9	-1.8	0	0	0	110.8	L684 D687 S721	L684-N719 VanDerWaalsContact CD2-C 3.49Å; L684-N719 WeakPolarHBondContact CD2-O 3.48Å; D687-N719 VanDerWaalsContact OD2-CA 3.27Å; D687-N719 WeakPolarHBondContact OD2-CA 3.35Å; D687-N719 WeakPolarHBondContact OD2-CB 3.33Å; N719-S721 PolarHBondContact O-N 3.43Å
720	A	75.2	Confident	61.6	Low	41 Å²	41	97.1 Å²	97.1	34%	0.339	56%	0.555	S	S	.	*			trans	-71.7	114.7	168.6	0	0	0	0	0	107.4	D687 E688 G722	D687-A720 PolarHBondContact OD2-N 3.13Å; E688-A720 HydrophobicContact CB-CB 4.33Å; A720-G722 PolarHBondContact O-N 3.12Å
721	S	67.5	Low	63	Low	83 Å²	83	91.2 Å²	91.2	58%	0.58	53%	0.53	S	S	*	.			trans	-55.8	136.1	170	35	0	0	0	0	109.2	N719	N719-S721 PolarHBondContact O-N 3.43Å
722	G	52.2	Low	64.6	Low	51 Å²	51	86.6 Å²	86.6	53%	0.526	51%	0.508	S	S	.	.			trans	-53.9	158.8	-178.7	0	0	0	0	0	112.2	A720 H724 H725	A720-G722 PolarHBondContact O-N 3.12Å; G722-H724 PolarHBondContact O-N 2.9Å; G722-H725 PolarHBondContact O-N 3.39Å
723	P	45.4	Very low	65.7	Low	133 Å²	133	93.2 Å²	93.2	86%	0.864	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	5.8	-166.8	21	-31.9	0	0	0	117
724	H	38.2	Very low	66.5	Low	179 Å²	179	90.3 Å²	90.3	83%	0.829	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	12.6	-178.3	-75.6	-64.1	0	0	0	116.2	G722	G722-H724 PolarHBondContact O-N 2.9Å
725	H	41	Very low	66.9	Low	143 Å²	143	89 Å²	89	66%	0.662	51%	0.505	S	S	*	.			trans	-114	108.6	163.1	-95.3	-83.1	0	0	0	110.6	G722 D727	G722-H725 PolarHBondContact O-N 3.39Å; H725-D727 PolarHBondContact O-N 3.35Å
726	T	41.2	Very low	67.2	Low	144 Å²	144	80.9 Å²	80.9	88%	0.883	47%	0.474	S	S	*	.			trans	-80	17	174.7	39.1	0	0	0	0	113.9	T728	T726-T728 PolarHBondContact O-N 3.02Å
727	D	42.8	Very low	67.2	Low	121 Å²	121	80.8 Å²	80.8	65%	0.647	48%	0.477	S	S	*	.			trans	-93.3	99.8	-177.5	-75	-28	0	0	0	112.4	H725	H725-D727 PolarHBondContact O-N 3.35Å
728	T	43.4	Very low	67.2	Low	127 Å²	127	79.8 Å²	79.8	78%	0.779	47%	0.474	S	S	*	.			trans	65.5	93.8	152.4	46.6	0	0	0	0	118.6	T726 G730	T726-T728 PolarHBondContact O-N 3.02Å; T728-G730 PolarHBondContact O-N 3Å
729	S	54.8	Low	67.3	Low	117 Å²	117	79.4 Å²	79.4	82%	0.818	47%	0.472	S	S	*	.			trans	-63.1	14	165.9	55.3	0	0	0	0	116.1	K681	K681-S729 PolarHBondContact NZ-O 2.93Å
730	G	69.5	Low	67.6	Low	48 Å²	48	75 Å²	75	50%	0.495	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-71.4	150.2	-177.6	0	0	0	0	0	113.2	T728	T728-G730 PolarHBondContact O-N 3Å
731	T	73	Confident	68.2	Low	41 Å²	41	73.3 Å²	73.3	25%	0.252	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-65	127.2	162.6	-61	0	0	0	0	107.6	L672 T677 E733 L735	L672-T731 HydrophobicContact CD2-CG2 3.81Å; T677-T731 HydrophobicContact CG2-CG2 4.1Å; T731-E733 PolarHBondContact O-N 3.38Å; T731-L735 HydrophobicContact CG2-CB 4.43Å; T731-L735 HydrophobicContact CG2-CD1 3.77Å
732	P	80.6	Confident	68.8	Low	31 Å²	31	69.8 Å²	69.8	20%	0.201	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-55.6	133	-179.4	-19.4	22.9	0	0	0	111.7	L672 H680 F734 L735	L672-P732 WeakPolarHBondContact CD2-O 3.28Å; H680-P732 WeakPolarHBondContact CE1-CD 3.37Å; H680-P732 WeakPolarHBondContact NE2-CD 3.44Å; P732-F734 HydrophobicContact CB-CD1 3.72Å; P732-F734 HydrophobicContact CB-CE1 3.35Å; P732-F734 HydrophobicContact CB-CE2 4.29Å; P732-F734 HydrophobicContact CB-CG 4.35Å; P732-F734 HydrophobicContact CB-CZ 3.67Å; P732-F734 HydrophobicContact CG-CE1 4.24Å; P732-F734 HydrophobicContact CG-CZ 4.18Å; P732-F734 PolarHBondContact O-N 3.25Å; P732-F734 VanDerWaalsContact O-N 3.11Å; P732-L735 HydrophobicContact CB-CD1 4.44Å; P732-L735 HydrophobicContact CB-CG 4.08Å; P732-L735 HydrophobicContact CG-CD1 4.05Å; P732-L735 HydrophobicContact CG-CG 4.19Å; P732-L735 WeakPolarHBondContact O-CB 3.29Å; P732-L735 PolarHBondContact O-N 3.15Å
733	E	81	Confident	69.8	Low	178 Å²	178	67.5 Å²	67.5	83%	0.832	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.5	-174.8	-66.4	-174.6	168	0	0	113.7	T731 L735	T731-E733 PolarHBondContact O-N 3.38Å; E733-L735 VanDerWaalsContact C-N 3.3Å; E733-L735 PolarHBondContact O-N 3.48Å
734	F	82.6	Confident	70.8	Confident	85 Å²	85	62.8 Å²	62.8	37%	0.373	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9	179.3	66.6	-104.3	0	0	0	114.1	H89 F718 P732 S736 F739	H89-F734 AromaticContact CD2-CD2 3.69Å; H89-F734 VanDerWaalsContact CE1-CB 3.49Å; H89-F734 WeakPolarHBondContact CE1-CB 3.31Å; H89-F734 AromaticContact CE1-CD1 3.83Å; H89-F734 AromaticContact CE1-CD2 3.17Å; H89-F734 WeakPolarHBondContact CE1-CD2 3.37Å; H89-F734 AromaticContact CE1-CE2 3.77Å; H89-F734 AromaticContact CE1-CG 3.21Å; H89-F734 WeakPolarHBondContact CE1-CG 3.48Å; H89-F734 AromaticContact CG-CD2 3.94Å; H89-F734 AromaticContact ND1-CD2 3.64Å; H89-F734 AromaticContact ND1-CE2 3.76Å; H89-F734 WeakPolarHBondContact NE2-CB 3.4Å; H89-F734 AromaticContact NE2-CD2 3.18Å; H89-F734 WeakPolarHBondContact NE2-CD2 3.44Å; H89-F734 AromaticContact NE2-CG 3.45Å; H89-F734 WeakPolarHBondContact NE2-CG 3.43Å; F718-F734 HydrophobicContact CE1-CE2 4.43Å; F718-F734 HydrophobicContact CE1-CZ 4.24Å; P732-F734 HydrophobicContact CB-CD1 3.72Å; P732-F734 HydrophobicContact CB-CE1 3.35Å; P732-F734 HydrophobicContact CB-CE2 4.29Å; P732-F734 HydrophobicContact CB-CG 4.35Å; P732-F734 HydrophobicContact CB-CZ 3.67Å; P732-F734 HydrophobicContact CG-CE1 4.24Å; P732-F734 HydrophobicContact CG-CZ 4.18Å; P732-F734 PolarHBondContact O-N 3.25Å; P732-F734 VanDerWaalsContact O-N 3.11Å; F734-S736 PolarHBondContact O-N 3.47Å; F734-F739 HydrophobicContact CD2-CD2 4.31Å; F734-F739 HydrophobicContact CD2-CE2 4.37Å; F734-F739 HydrophobicContact CE2-CD2 4.14Å; F734-F739 AromaticContact CE2-CE2 3.8Å; F734-F739 HydrophobicContact CE2-CE2 3.8Å
735	L	86.6	Confident	72	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.314	C	S	.	.			trans	-71	128.6	-177.6	-69	-174.7	0	0	0	111.8	L672 I676 H680 F718 T731 P732 E733 F739	L672-L735 PolarHBondContact N-O 3.1Å; I676-L735 HydrophobicContact CG1-CB 4.47Å; I676-L735 HydrophobicContact CG1-CD2 4.12Å; H680-L735 HydrophobicContact CB-CD1 3.64Å; F718-L735 HydrophobicContact CE1-CD2 4.27Å; F718-L735 HydrophobicContact CZ-CD2 3.71Å; T731-L735 HydrophobicContact CG2-CB 4.43Å; T731-L735 HydrophobicContact CG2-CD1 3.77Å; P732-L735 HydrophobicContact CB-CD1 4.44Å; P732-L735 HydrophobicContact CB-CG 4.08Å; P732-L735 HydrophobicContact CG-CD1 4.05Å; P732-L735 HydrophobicContact CG-CG 4.19Å; P732-L735 WeakPolarHBondContact O-CB 3.29Å; P732-L735 PolarHBondContact O-N 3.15Å; E733-L735 VanDerWaalsContact C-N 3.3Å; E733-L735 PolarHBondContact O-N 3.48Å; L735-F739 HydrophobicContact CD2-CD2 3.82Å; L735-F739 HydrophobicContact CD2-CE2 4.12Å; L735-F739 HydrophobicContact CD2-CG 4.11Å
736	S	87.7	Confident	73.3	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.028	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-147.3	167.6	176.8	78.2	0	0	0	0	112.6	Q669 I670 I676 F734 S738 F739	Q669-S736 WeakPolarHBondContact CG-OG 3.43Å; Q669-S736 PolarHBondContact NE2-OG 3.01Å; I670-S736 CarbonylContact O-C 3.56Å; I670-S736 WeakPolarHBondContact O-CA 3.41Å; I676-S736 WeakPolarHBondContact CG2-O 3.33Å; F734-S736 PolarHBondContact O-N 3.47Å; S736-S738 PolarHBondContact O-N 3.3Å; S736-S738 PolarHBondContact OG-N 3.14Å; S736-F739 VanDerWaalsContact O-CB 3.24Å; S736-F739 WeakPolarHBondContact O-CB 3.25Å; S736-F739 PolarHBondContact O-N 2.78Å
737	S	88.1	Confident	74.3	Confident	35 Å²	35	40.8 Å²	40.8	25%	0.245	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.1	176.8	59.8	0	0	0	0	114.9	I670	I670-S737 PolarHBondContact N-OG 3Å; I670-S737 PolarHBondContact O-N 2.97Å
738	S	88.5	Confident	74.9	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.4	176	-58	0	0	0	0	113	R663 S736 F741	R663-S738 PolarHBondContact O-OG 3.1Å; S736-S738 PolarHBondContact O-N 3.3Å; S736-S738 PolarHBondContact OG-N 3.14Å; S738-F741 WeakPolarHBondContact O-CA 3.24Å; S738-F741 VanDerWaalsContact O-CB 3.23Å; S738-F741 WeakPolarHBondContact O-CB 3.21Å; S738-F741 WeakPolarHBondContact O-CD2 3.4Å; S738-F741 PolarHBondContact O-N 3.25Å
739	F	90.3	Very high	75.7	Confident	9 Å²	9	29.9 Å²	29.9	4%	0.039	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	138.6	179.8	179.1	-84.3	0	0	0	111.3	H89 L551 I676 Y717 F718 F734 L735 S736	H89-F739 HydrophobicContact CB-CD2 4.3Å; H89-F739 HydrophobicContact CB-CE2 3.66Å; H89-F739 AromaticContact CD2-CD2 4Å; H89-F739 AromaticContact CG-CE2 3.92Å; L551-F739 HydrophobicContact CD2-CE1 3.6Å; L551-F739 HydrophobicContact CD2-CZ 3.94Å; I676-F739 HydrophobicContact CD1-CB 3.94Å; I676-F739 HydrophobicContact CD1-CD1 3.3Å; I676-F739 HydrophobicContact CD1-CE1 4.06Å; I676-F739 HydrophobicContact CD1-CG 3.84Å; I676-F739 HydrophobicContact CG1-CB 3.91Å; I676-F739 HydrophobicContact CG1-CD1 4.17Å; I676-F739 HydrophobicContact CG1-CG 4.21Å; Y717-F739 HydrophobicContact CD1-CZ 4.06Å; Y717-F739 HydrophobicContact CE1-CE2 4.35Å; Y717-F739 AromaticContact CE1-CZ 3.67Å; Y717-F739 HydrophobicContact CE1-CZ 3.67Å; F718-F739 HydrophobicContact CE1-CZ 4.44Å; F718-F739 HydrophobicContact CE2-CE1 4.05Å; F718-F739 HydrophobicContact CE2-CZ 4.08Å; F718-F739 AromaticContact CZ-CE1 3.9Å; F718-F739 HydrophobicContact CZ-CE1 3.9Å; F718-F739 HydrophobicContact CZ-CE2 4.06Å; F718-F739 AromaticContact CZ-CZ 3.51Å; F718-F739 HydrophobicContact CZ-CZ 3.51Å; F734-F739 HydrophobicContact CD2-CD2 4.31Å; F734-F739 HydrophobicContact CD2-CE2 4.37Å; F734-F739 HydrophobicContact CE2-CD2 4.14Å; F734-F739 AromaticContact CE2-CE2 3.8Å; F734-F739 HydrophobicContact CE2-CE2 3.8Å; L735-F739 HydrophobicContact CD2-CD2 3.82Å; L735-F739 HydrophobicContact CD2-CE2 4.12Å; L735-F739 HydrophobicContact CD2-CG 4.11Å; S736-F739 VanDerWaalsContact O-CB 3.24Å; S736-F739 WeakPolarHBondContact O-CB 3.25Å; S736-F739 PolarHBondContact O-N 2.78Å
740	P	90	Very high	75.7	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.6	7.7	6.2	39.7	-41.5	0	0	0	114.5	Y90 T486 L551	Y90-P740 HydrophobicContact CD1-CB 3.92Å; Y90-P740 HydrophobicContact CD1-CG 3.96Å; Y90-P740 WeakPolarHBondContact CD1-O 3.13Å; Y90-P740 HydrophobicContact CE1-CG 4.39Å; T486-P740 HydrophobicContact CG2-CG 3.62Å; L551-P740 HydrophobicContact CD1-CB 3.86Å; L551-P740 HydrophobicContact CD1-CG 4.01Å
741	F	88.5	Confident	75.2	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.026	17%	0.172	C	C	.	.	S	Bend	trans	-79.4	158.5	179.7	-49.8	-88.8	0	0	0	111.7	Y90 A489 V490 L659 R663 W664 S738	Y90-F741 AromaticContact CE1-CD1 3.86Å; Y90-F741 HydrophobicContact CE1-CD1 3.86Å; Y90-F741 HydrophobicContact CE1-CE1 4.25Å; Y90-F741 HydrophobicContact CE1-CG 4.46Å; A489-F741 HydrophobicContact CB-CE2 4.18Å; A489-F741 HydrophobicContact CB-CZ 3.94Å; V490-F741 HydrophobicContact CG2-CE1 4.4Å; V490-F741 HydrophobicContact CG2-CZ 4.09Å; L659-F741 HydrophobicContact CD1-CD2 3.95Å; L659-F741 HydrophobicContact CD1-CE2 4.12Å; L659-F741 HydrophobicContact CD2-CE2 4.34Å; L659-F741 HydrophobicContact CG-CE2 4.22Å; R663-F741 HydrophobicContact CB-CB 4.41Å; R663-F741 HydrophobicContact CB-CD2 4.32Å; W664-F741 HydrophobicContact CH2-CB 4.26Å; W664-F741 AromaticContact CH2-CD1 3.85Å; W664-F741 HydrophobicContact CH2-CD1 3.85Å; W664-F741 HydrophobicContact CH2-CG 4.44Å; W664-F741 HydrophobicContact CZ2-CD1 4.21Å; W664-F741 HydrophobicContact CZ3-CB 4.18Å; S738-F741 WeakPolarHBondContact O-CA 3.24Å; S738-F741 VanDerWaalsContact O-CB 3.23Å; S738-F741 WeakPolarHBondContact O-CB 3.21Å; S738-F741 WeakPolarHBondContact O-CD2 3.4Å; S738-F741 PolarHBondContact O-N 3.25Å
742	S	79.2	Confident	74.6	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.063	16%	0.161	C	C	.	.			trans	-114.6	117.1	172.9	179.8	0	0	0	0	109.7	Q86 W664 V744 N746	Q86-S742 PolarHBondContact O-OG 3.44Å; Q86-S742 VanDerWaalsContact O-OG 3.1Å; W664-S742 WeakPolarHBondContact CZ3-O 3.5Å; S742-V744 PolarHBondContact O-N 2.94Å; S742-N746 PolarHBondContact O-ND2 3.11Å
743	P	73.4	Confident	73.7	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.019	19%	0.189	C	C	.	.			trans	-72.5	-17.2	176.9	27.4	-31.7	0	0	0	112.9	R663 P666 G745 N746	R663-P743 WeakPolarHBondContact O-CB 3.39Å; P666-P743 HydrophobicContact CB-CB 4.35Å; P666-P743 HydrophobicContact CB-CG 4.46Å; P666-P743 HydrophobicContact CG-CB 4.04Å; P743-G745 PolarHBondContact O-N 2.91Å; P743-N746 WeakPolarHBondContact O-CB 3.49Å; P743-N746 PolarHBondContact O-N 3.11Å
744	V	67.3	Low	72.8	Confident	35 Å²	35	31.2 Å²	31.2	21%	0.212	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	124	-166.3	-168.8	0	0	0	0	111.2	I55 Q86 S742 N746	I55-V744 HydrophobicContact CG2-CG1 3.37Å; Q86-V744 HydrophobicContact CB-CB 4.42Å; Q86-V744 HydrophobicContact CG-CB 3.93Å; Q86-V744 HydrophobicContact CG-CG1 3.57Å; Q86-V744 HydrophobicContact CG-CG2 4.44Å; Q86-V744 VanDerWaalsContact NE2-CG1 3.32Å; S742-V744 PolarHBondContact O-N 2.94Å; V744-N746 VanDerWaalsContact C-N 3.29Å; V744-N746 PolarHBondContact O-N 3.04Å
745	G	62.1	Low	71.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	9.3	-178.6	0	0	0	0	0	116.1	K53 P743	K53-G745 WeakPolarHBondContact CE-O 3.36Å; K53-G745 PolarHBondContact NZ-O 2.88Å; P743-G745 PolarHBondContact O-N 2.91Å
746	N	68.3	Low	70.9	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-15.9	-179.1	-68.3	-41.7	0	0	0	113.5	R142 I143 W664 S742 P743 V744	R142-N746 CarbonylContact C-O 3.59Å; R142-N746 WeakPolarHBondContact CA-O 3.38Å; R142-N746 HydrophobicContact CB-CB 4.44Å; R142-N746 HydrophobicContact CG-CB 4.03Å; I143-N746 CarbonylContact C-O 3.56Å; I143-N746 VanDerWaalsContact C-O 3.3Å; I143-N746 PolarHBondContact N-O 2.88Å; I143-N746 CarbonylContact O-C 3.5Å; I143-N746 VanDerWaalsContact O-C 3.29Å; W664-N746 HydrophobicContact CB-CB 4.31Å; W664-N746 HydrophobicContact CD2-CB 4.42Å; W664-N746 HydrophobicContact CE3-CB 3.92Å; S742-N746 PolarHBondContact O-ND2 3.11Å; P743-N746 WeakPolarHBondContact O-CB 3.49Å; P743-N746 PolarHBondContact O-N 3.11Å; V744-N746 VanDerWaalsContact C-N 3.29Å; V744-N746 PolarHBondContact O-N 3.04Å
747	L	62.8	Low	69.9	Low	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.164	C	C	.	.			trans	-154.4	129.3	165.5	-167.5	73.6	0	0	0	106.8	I143 V354 W664 V665 P666 R749	I143-L747 HydrophobicContact CB-CD1 3.71Å; I143-L747 HydrophobicContact CD1-CD1 3.42Å; I143-L747 VanDerWaalsContact CD1-CD1 3.42Å; I143-L747 HydrophobicContact CG1-CD1 3.36Å; V354-L747 HydrophobicContact CG1-CD1 4.45Å; W664-L747 WeakPolarHBondContact O-CB 3.42Å; V665-L747 HydrophobicContact CB-CD2 3.91Å; V665-L747 HydrophobicContact CG1-CD2 4.1Å; V665-L747 HydrophobicContact CG2-CD2 3.38Å; P666-L747 WeakPolarHBondContact CD-O 3.3Å; P666-L747 WeakPolarHBondContact CG-O 3.45Å; L747-R749 HydrophobicContact CD2-CG 4.06Å; L747-R749 HydrophobicContact CG-CG 4.19Å
748	C	54.9	Low	69	Low	14 Å²	14	27.7 Å²	27.7	10%	0.095	16%	0.158	C	C	.	.			trans	-112.3	114.7	175.5	-44.8	0	0	0	0	107.1	C54 I55 T57	C54-C748 PolarHBondContact O-SG 3.43Å; I55-C748 PolarHBondContact O-SG 3.38Å; T57-C748 HydrophobicContact CG2-CB 3.39Å; T57-C748 WeakPolarHBondContact CG2-O 3.27Å
749	R	60.2	Low	68.1	Low	6 Å²	6	32.2 Å²	32.2	2%	0.023	18%	0.177	C	C	.	.			trans	-113.9	163.8	172	-54.3	-167.9	173.2	176.8	-2.5	112.4	T57 C353 E356 E667 L747	T57-R749 WeakPolarHBondContact CB-O 3.44Å; T57-R749 VanDerWaalsContact CG2-CA 3.47Å; T57-R749 VanDerWaalsContact CG2-N 3.26Å; T57-R749 WeakPolarHBondContact CG2-O 3.46Å; T57-R749 PolarHBondContact OG1-O 3.2Å; C353-R749 PolarHBondContact O-NH2 3.43Å; E356-R749 WeakPolarHBondContact OE1-CA 3.44Å; E356-R749 WeakPolarHBondContact OE1-CB 3.43Å; E356-R749 WeakPolarHBondContact OE1-CD 3.44Å; E356-R749 WeakPolarHBondContact OE1-CG 3.38Å; E667-R749 HydrophobicContact CG-CB 4.41Å; E667-R749 WeakPolarHBondContact OE1-CB 3.49Å; E667-R749 PolarHBondContact OE1-N 2.89Å; E667-R749 VanDerWaalsContact OE1-N 3.13Å; E667-R749 VanDerWaalsContact OE1-O 3.12Å; E667-R749 WeakPolarHBondContact OE2-CB 3.41Å; L747-R749 HydrophobicContact CD2-CG 4.06Å; L747-R749 HydrophobicContact CG-CG 4.19Å
750	R	55.6	Low	67.1	Low	164 Å²	164	34.3 Å²	34.3	62%	0.619	19%	0.186	S	C	*	.			trans	-65.5	149.2	157.3	-74.5	-175.6	178.9	175.1	2	109.2	E356 E359 I752	E356-R750 PolarHBondContact OE2-N 3.05Å; E359-R750 IonicContact OE1-NH1 3.09Å; R750-I752 PolarHBondContact O-N 3.14Å
751	S	58.7	Low	66.2	Low	79 Å²	79	34.7 Å²	34.7	55%	0.552	19%	0.188	S	C	*	.			trans	-47.6	129.7	179	178.7	0	0	0	0	112	L753	S751-L753 PolarHBondContact OG-N 3.46Å
752	I	60.9	Low	65.3	Low	3 Å²	3	38.9 Å²	38.9	2%	0.015	22%	0.218	C	C	.	.			trans	-93	3.7	175.9	75.3	-178.3	0	0	0	112.9	F358 E667 A668 R750 G754 T755 L757 S758 L761	F358-I752 HydrophobicContact CD2-CG2 4.5Å; E667-I752 HydrophobicContact CB-CB 4.29Å; E667-I752 HydrophobicContact CB-CD1 3.9Å; E667-I752 HydrophobicContact CB-CG1 3.65Å; E667-I752 HydrophobicContact CB-CG2 4.03Å; E667-I752 WeakPolarHBondContact O-CD1 3.22Å; E667-I752 WeakPolarHBondContact O-CG1 3.27Å; A668-I752 HydrophobicContact CB-CD1 4.43Å; R750-I752 PolarHBondContact O-N 3.14Å; I752-G754 PolarHBondContact O-N 3.38Å; I752-T755 HydrophobicContact CB-CG2 4.48Å; I752-T755 VanDerWaalsContact O-CB 3.27Å; I752-T755 WeakPolarHBondContact O-CB 3.48Å; I752-T755 WeakPolarHBondContact O-CG2 3.37Å; I752-T755 PolarHBondContact O-N 3.13Å; I752-T755 PolarHBondContact O-OG1 3.01Å; I752-L757 HydrophobicContact CD1-CD2 4.07Å; I752-L757 HydrophobicContact CD1-CG 4.21Å; I752-S758 WeakPolarHBondContact O-CB 3.45Å; I752-S758 PolarHBondContact O-OG 3.36Å; I752-L761 HydrophobicContact CD1-CD1 3.8Å
753	L	62.1	Low	64.4	Low	148 Å²	148	41.1 Å²	41.1	78%	0.775	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	126.3	-176.1	-70.8	169.8	0	0	0	111.3	S751	S751-L753 PolarHBondContact OG-N 3.46Å
754	G	62	Low	63.4	Low	48 Å²	48	43.4 Å²	43.4	50%	0.495	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-19.5	-179.1	0	0	0	0	0	114.3	I752 S758 K759	I752-G754 PolarHBondContact O-N 3.38Å; G754-S758 PolarHBondContact N-OG 3.44Å; G754-K759 WeakPolarHBondContact O-CE 3.12Å
755	T	63.7	Low	62.2	Low	12 Å²	12	49.9 Å²	49.9	7%	0.074	29%	0.287	C	S	.	.	S	Bend	trans	-78.1	158.9	-173.2	70.9	0	0	0	0	114.6	F358 E362 I752 L757 S758 K759	F358-T755 VanDerWaalsContact CD1-CB 3.44Å; F358-T755 HydrophobicContact CD1-CG2 3.26Å; F358-T755 HydrophobicContact CE1-CG2 3.66Å; F358-T755 HydrophobicContact CG-CG2 4.17Å; E362-T755 HydrophobicContact CG-CG2 4.45Å; E362-T755 WeakPolarHBondContact OE1-CA 3.38Å; I752-T755 HydrophobicContact CB-CG2 4.48Å; I752-T755 VanDerWaalsContact O-CB 3.27Å; I752-T755 WeakPolarHBondContact O-CB 3.48Å; I752-T755 WeakPolarHBondContact O-CG2 3.37Å; I752-T755 PolarHBondContact O-N 3.13Å; I752-T755 PolarHBondContact O-OG1 3.01Å; T755-L757 VanDerWaalsContact C-N 3.26Å; T755-L757 PolarHBondContact O-N 2.91Å; T755-S758 PolarHBondContact N-OG 3.17Å; T755-S758 CarbonylContact O-C 3.54Å; T755-S758 WeakPolarHBondContact O-CA 3.3Å; T755-S758 WeakPolarHBondContact O-CB 3.24Å; T755-S758 PolarHBondContact O-N 3.22Å; T755-S758 PolarHBondContact O-OG 3.35Å; T755-S758 PolarHBondContact OG1-N 3.31Å; T755-K759 PolarHBondContact O-N 2.91Å
756	P	63.8	Low	61.3	Low	22 Å²	22	52.8 Å²	52.8	14%	0.143	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-31	171.5	-33.8	43.6	0	0	0	113.7	E362 K759 F760 I766	E362-P756 HydrophobicContact CG-CG 3.84Å; E362-P756 WeakPolarHBondContact O-CB 3.43Å; E362-P756 WeakPolarHBondContact O-CD 3.43Å; E362-P756 WeakPolarHBondContact O-CG 3.49Å; E362-P756 WeakPolarHBondContact OE1-CD 3.5Å; P756-K759 PolarHBondContact O-N 3.21Å; P756-F760 WeakPolarHBondContact O-CB 3.5Å; P756-F760 PolarHBondContact O-N 3.33Å; P756-I766 HydrophobicContact CB-CD1 3.97Å; P756-I766 WeakPolarHBondContact O-CD1 3.35Å
757	L	68.2	Low	59.9	Low	1 Å²	1	61.9 Å²	61.9	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-46.6	168.4	177.5	63.5	0	0	0	110.4	F358 W365 F662 I752 T755 K759 F760 L761	F358-L757 HydrophobicContact CD2-CB 4.42Å; F358-L757 HydrophobicContact CD2-CD2 4.13Å; F358-L757 HydrophobicContact CE1-CB 4.08Å; F358-L757 HydrophobicContact CE2-CB 3.3Å; F358-L757 HydrophobicContact CE2-CD2 3.46Å; F358-L757 VanDerWaalsContact CE2-CD2 3.46Å; F358-L757 HydrophobicContact CE2-CG 3.99Å; F358-L757 HydrophobicContact CZ-CB 3.1Å; F358-L757 HydrophobicContact CZ-CD2 4.21Å; F358-L757 HydrophobicContact CZ-CG 4.26Å; W365-L757 HydrophobicContact CD2-CD1 4.37Å; W365-L757 HydrophobicContact CH2-CD1 4.12Å; W365-L757 HydrophobicContact CZ2-CD1 3.8Å; F662-L757 HydrophobicContact CE1-CD1 4.47Å; F662-L757 HydrophobicContact CE2-CD1 4.02Å; F662-L757 HydrophobicContact CZ-CD1 3.73Å; I752-L757 HydrophobicContact CD1-CD2 4.07Å; I752-L757 HydrophobicContact CD1-CG 4.21Å; T755-L757 VanDerWaalsContact C-N 3.26Å; T755-L757 PolarHBondContact O-N 2.91Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.97Å; L757-F760 HydrophobicContact CD1-CD1 4.26Å; L757-F760 PolarHBondContact O-N 2.86Å; L757-L761 HydrophobicContact CD1-CD1 3.93Å; L757-L761 HydrophobicContact CD1-CD2 4.39Å; L757-L761 HydrophobicContact CD1-CG 3.92Å; L757-L761 HydrophobicContact CD2-CD1 4.45Å; L757-L761 HydrophobicContact CG-CD1 3.75Å; L757-L761 HydrophobicContact CG-CG 4.2Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 WeakPolarHBondContact O-CG 2.85Å; L757-L761 PolarHBondContact O-N 3.31Å
758	S	69.1	Low	58.6	Low	16 Å²	16	66.7 Å²	66.7	11%	0.112	36%	0.361	C	S	.	.	H	α-helix	trans	-59.2	-44.8	176.1	76.5	0	0	0	0	112.3	I752 G754 T755 F760 L761 S762	I752-S758 WeakPolarHBondContact O-CB 3.45Å; I752-S758 PolarHBondContact O-OG 3.36Å; G754-S758 PolarHBondContact N-OG 3.44Å; T755-S758 PolarHBondContact N-OG 3.17Å; T755-S758 CarbonylContact O-C 3.54Å; T755-S758 WeakPolarHBondContact O-CA 3.3Å; T755-S758 WeakPolarHBondContact O-CB 3.24Å; T755-S758 PolarHBondContact O-N 3.22Å; T755-S758 PolarHBondContact O-OG 3.35Å; T755-S758 PolarHBondContact OG1-N 3.31Å; S758-F760 PolarHBondContact O-N 2.69Å; S758-L761 PolarHBondContact O-N 3.47Å; S758-S762 WeakPolarHBondContact O-CB 3.2Å; S758-S762 PolarHBondContact O-N 2.95Å; S758-S762 PolarHBondContact O-OG 2.96Å
759	K	69.3	Low	57.6	Low	98 Å²	98	69.2 Å²	69.2	43%	0.426	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176.5	-71.8	173.3	-174.8	166.6	0	111.7	G754 T755 P756 L757 S762 G763 A764 I766	G754-K759 WeakPolarHBondContact O-CE 3.12Å; T755-K759 PolarHBondContact O-N 2.91Å; P756-K759 PolarHBondContact O-N 3.21Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.97Å; K759-S762 PolarHBondContact O-N 3.03Å; K759-G763 PolarHBondContact O-N 3.41Å; K759-A764 HydrophobicContact CB-CB 4.19Å; K759-A764 WeakPolarHBondContact O-CB 3.46Å; K759-A764 PolarHBondContact O-N 3.28Å; K759-I766 HydrophobicContact CB-CD1 3.3Å; K759-I766 HydrophobicContact CB-CG1 3.7Å; K759-I766 HydrophobicContact CD-CD1 4.24Å; K759-I766 HydrophobicContact CD-CG1 4.4Å; K759-I766 HydrophobicContact CG-CD1 4.41Å
760	F	69.9	Low	56.5	Low	53 Å²	53	74.5 Å²	74.5	23%	0.232	41%	0.413	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.9	168.5	-98.2	0	0	0	111.5	W365 L366 L656 K658 P756 L757 S758 G763 I766	W365-F760 HydrophobicContact CH2-CD1 4.02Å; W365-F760 AromaticContact CH2-CE1 3.95Å; W365-F760 HydrophobicContact CH2-CE1 3.95Å; W365-F760 HydrophobicContact CH2-CZ 4.46Å; W365-F760 AromaticContact CZ3-CD1 3.9Å; W365-F760 HydrophobicContact CZ3-CD1 3.9Å; W365-F760 HydrophobicContact CZ3-CD2 4.34Å; W365-F760 HydrophobicContact CZ3-CE1 4.12Å; W365-F760 HydrophobicContact CZ3-CG 4.02Å; W365-F760 HydrophobicContact CZ3-CZ 4.43Å; L366-F760 HydrophobicContact CD2-CD2 4.45Å; L656-F760 HydrophobicContact CB-CZ 4.16Å; L656-F760 HydrophobicContact CD2-CE1 4.13Å; L656-F760 HydrophobicContact CD2-CZ 4.41Å; K658-F760 PolarHBondContact NZ-O 2.87Å; K658-F760 VanDerWaalsContact NZ-O 3.13Å; P756-F760 WeakPolarHBondContact O-CB 3.5Å; P756-F760 PolarHBondContact O-N 3.33Å; L757-F760 HydrophobicContact CD1-CD1 4.26Å; L757-F760 PolarHBondContact O-N 2.86Å; S758-F760 PolarHBondContact O-N 2.69Å; F760-G763 PolarHBondContact O-N 3.05Å; F760-I766 HydrophobicContact CB-CD1 4.36Å
761	L	71.5	Confident	55.7	Low	8 Å²	8	74.1 Å²	74.1	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-64.5	-49.1	177.3	-70.2	169.7	0	0	0	110.3	K658 F662 A668 I670 I752 L757 S758 G763	K658-L761 HydrophobicContact CD-CD2 4.13Å; K658-L761 PolarHBondContact NZ-O 3.01Å; F662-L761 HydrophobicContact CD2-CD2 3.79Å; F662-L761 HydrophobicContact CE2-CD2 4.02Å; A668-L761 VanDerWaalsContact CA-CD1 3.47Å; A668-L761 HydrophobicContact CB-CD1 3.39Å; A668-L761 HydrophobicContact CB-CD2 4.3Å; A668-L761 HydrophobicContact CB-CG 4.49Å; I670-L761 HydrophobicContact CD1-CB 4.48Å; I670-L761 WeakPolarHBondContact CD1-O 3.12Å; I752-L761 HydrophobicContact CD1-CD1 3.8Å; L757-L761 HydrophobicContact CD1-CD1 3.93Å; L757-L761 HydrophobicContact CD1-CD2 4.39Å; L757-L761 HydrophobicContact CD1-CG 3.92Å; L757-L761 HydrophobicContact CD2-CD1 4.45Å; L757-L761 HydrophobicContact CG-CD1 3.75Å; L757-L761 HydrophobicContact CG-CG 4.2Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 WeakPolarHBondContact O-CG 2.85Å; L757-L761 PolarHBondContact O-N 3.31Å; S758-L761 PolarHBondContact O-N 3.47Å; L761-G763 PolarHBondContact O-N 3.05Å
762	S	68.3	Low	54.8	Low	94 Å²	94	74 Å²	74	66%	0.657	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-5.6	176.5	-53.6	0	0	0	0	114.9	S758 K759 A764	S758-S762 WeakPolarHBondContact O-CB 3.2Å; S758-S762 PolarHBondContact O-N 2.95Å; S758-S762 PolarHBondContact O-OG 2.96Å; K759-S762 PolarHBondContact O-N 3.03Å; S762-A764 VanDerWaalsContact C-N 3.28Å; S762-A764 PolarHBondContact O-N 3.29Å
763	G	59.8	Low	53.7	Low	56 Å²	56	80.5 Å²	80.5	58%	0.577	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	15.1	-179.6	0	0	0	0	0	114.1	K759 F760 L761 K765	K759-G763 PolarHBondContact O-N 3.41Å; F760-G763 PolarHBondContact O-N 3.05Å; L761-G763 PolarHBondContact O-N 3.05Å; G763-K765 PolarHBondContact O-N 2.72Å
764	A	52.2	Low	52.5	Low	52 Å²	52	76.5 Å²	76.5	43%	0.43	44%	0.437	S	S	.	.			trans	-61.3	127.6	168	0	0	0	0	0	107.9	K759 S762 I766	K759-A764 HydrophobicContact CB-CB 4.19Å; K759-A764 WeakPolarHBondContact O-CB 3.46Å; K759-A764 PolarHBondContact O-N 3.28Å; S762-A764 VanDerWaalsContact C-N 3.28Å; S762-A764 PolarHBondContact O-N 3.29Å; A764-I766 VanDerWaalsContact C-N 3.26Å; A764-I766 PolarHBondContact O-N 2.85Å
765	K	43.7	Very low	51.1	Low	170 Å²	170	81.4 Å²	81.4	74%	0.739	45%	0.451	S	S	*	.			trans	-65.3	89.9	171.9	-71.4	-177.8	178.8	179.5	0	107.8	G763 W767	G763-K765 PolarHBondContact O-N 2.72Å; K765-W767 PolarHBondContact O-N 3.36Å
766	I	42.4	Very low	49.6	Very low	61 Å²	61	89.7 Å²	89.7	31%	0.313	49%	0.489	S	S	.	.			trans	-78	107.2	167.8	-49.6	174.8	0	0	0	105.1	P756 K759 F760 A764 L768	P756-I766 HydrophobicContact CB-CD1 3.97Å; P756-I766 WeakPolarHBondContact O-CD1 3.35Å; K759-I766 HydrophobicContact CB-CD1 3.3Å; K759-I766 HydrophobicContact CB-CG1 3.7Å; K759-I766 HydrophobicContact CD-CD1 4.24Å; K759-I766 HydrophobicContact CD-CG1 4.4Å; K759-I766 HydrophobicContact CG-CD1 4.41Å; F760-I766 HydrophobicContact CB-CD1 4.36Å; A764-I766 VanDerWaalsContact C-N 3.26Å; A764-I766 PolarHBondContact O-N 2.85Å; I766-L768 PolarHBondContact O-N 3.06Å
767	W	38.1	Very low	48.4	Very low	192 Å²	192	99.9 Å²	99.9	73%	0.727	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-54.6	130.6	165.8	-65.2	89	0	0	0	107.6	K765 S769	K765-W767 PolarHBondContact O-N 3.36Å; W767-S769 PolarHBondContact O-N 3.33Å
768	L	36.2	Very low	47.4	Very low	103 Å²	103	104.9 Å²	104.9	54%	0.539	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-46.8	120.8	158.7	-80.3	140.3	0	0	0	105.9	I766 T770	I766-L768 PolarHBondContact O-N 3.06Å; L768-T770 PolarHBondContact O-N 2.81Å
769	S	34.4	Very low	46.3	Very low	67 Å²	67	109.5 Å²	109.5	47%	0.469	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-54.1	132.8	173.9	49.7	0	0	0	0	107	W767 E771 T772	W767-S769 PolarHBondContact O-N 3.33Å; S769-E771 PolarHBondContact O-N 2.89Å; S769-T772 PolarHBondContact O-N 3.38Å; S769-T772 PolarHBondContact O-OG1 3.28Å
770	T	37.6	Very low	45	Very low	118 Å²	118	110.2 Å²	110.2	72%	0.724	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-58.9	-8.1	179.6	32.5	0	0	0	0	113.3	L768 T772 L773 A774	L768-T770 PolarHBondContact O-N 2.81Å; T770-T772 VanDerWaalsContact C-N 3.34Å; T770-T772 PolarHBondContact O-N 2.82Å; T770-L773 PolarHBondContact O-N 2.79Å; T770-A774 PolarHBondContact O-N 3.2Å
771	E	37.5	Very low	43.5	Very low	155 Å²	155	113.5 Å²	113.5	72%	0.724	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-67.4	-26	175	-71.3	-175	162	0	0	113.9	S769	S769-E771 PolarHBondContact O-N 2.89Å
772	T	40.3	Very low	41.8	Very low	78 Å²	78	120.1 Å²	120.1	48%	0.479	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-84.4	-8.6	174.4	47.4	0	0	0	0	114.2	S769 T770	S769-T772 PolarHBondContact O-N 3.38Å; S769-T772 PolarHBondContact O-OG1 3.28Å; T770-T772 VanDerWaalsContact C-N 3.34Å; T770-T772 PolarHBondContact O-N 2.82Å
773	L	37.4	Very low	40	Very low	138 Å²	138	121.9 Å²	121.9	72%	0.723	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-4.2	175.2	-69.9	171.9	0	0	0	113.3	T770	T770-L773 PolarHBondContact O-N 2.79Å
774	A	37.5	Very low	38.6	Very low	65 Å²	65	126.6 Å²	126.6	54%	0.537	67%	0.667	S	S	.	*	S	Bend	trans	-97	6.2	-176.8	0	0	0	0	0	114.4	T770	T770-A774 PolarHBondContact O-N 3.2Å
775	N	32.4	Very low	37.6	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	69%	0.686	S	S	*	*	S	Bend	trans	-112	30.2	177.4	-78.7	-14.9	0	0	0	113.4
776	E	32.8	Very low	37	Very low	185 Å²	185	129.2 Å²	129.2	86%	0.864	68%	0.681	S	S	*	*			trans	-125.6	79.1	160.1	-70.2	-161.8	166.1	0	0	108.6
777	D	38	Very low	36.6	Very low	237 Å²	237	135.4 Å²	135.4	100%	1.267	72%	0.715	S	S	*	*			trans	-106.3	0	156	-85.8	-25.2	0	0	0	109

Retrieved 777 of 777 residues in 1458.6 ms (Link to these results)

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