X5D300_HUMAN Loading...

Myotubularin-related protein 10

AlphaFold DB , UniProt , Accession X5D300, Species HUMAN (Homo sapiens, Human), Gene MTMR10, Length 584 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	36.2	Very low	37.2	Very low	240 Å²	240	161.8 Å²	161.8	100%	1.182	85%	0.853	S	S	*	*				0	96.2	0	-78.2	176.6	-174.6	0	0	108
2	F	29.8	Very low	36.8	Very low	209 Å²	209	167.3 Å²	167.3	92%	0.917	85%	0.853	S	S	*	*			trans	-96	117.6	176.5	-74.8	-80.1	0	0	0	108.4	L4	F2-L4 PolarHBondContact O-N 3.43Å
3	S	30.9	Very low	37	Very low	118 Å²	118	159.8 Å²	159.8	83%	0.825	83%	0.825	S	S	*	*			trans	-73.3	113.5	176.2	178.3	0	0	0	0	109.1	K5	S3-K5 PolarHBondContact O-N 3.39Å
4	L	36.8	Very low	37	Very low	165 Å²	165	164.3 Å²	164.3	86%	0.864	83%	0.829	S	S	*	*			trans	-71.1	112.6	173.2	-77.1	153.8	0	0	0	108.8	F2	F2-L4 PolarHBondContact O-N 3.43Å
5	K	40.2	Very low	36.8	Very low	190 Å²	190	163.3 Å²	163.3	83%	0.826	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.5	136.5	162.7	-77.1	-178.1	176.7	177.9	0	108.6	S3	S3-K5 PolarHBondContact O-N 3.39Å
6	P	39.4	Very low	36.8	Very low	114 Å²	114	162.9 Å²	162.9	74%	0.74	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-65.3	150.1	176.3	26.7	-32.1	0	0	0	110.9
7	P	39.2	Very low	36.8	Very low	124 Å²	124	159.7 Å²	159.7	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.3	139.4	176.8	27.7	-32.4	0	0	0	110.3
8	K	37.3	Very low	36.6	Very low	193 Å²	193	157.3 Å²	157.3	84%	0.839	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-67.7	137.5	171.7	-76.4	180	174.5	-178.6	0	109.2	T10	K8-T10 PolarHBondContact O-N 2.64Å
9	P	39.7	Very low	36.6	Very low	116 Å²	116	155.1 Å²	155.1	75%	0.753	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.4	134.6	171.6	23.9	-30.8	0	0	0	110.1	F11	P9-F11 VanDerWaalsContact C-N 3.28Å
10	T	39.5	Very low	36.5	Very low	152 Å²	152	157 Å²	157	93%	0.933	82%	0.816	S	S	*	*	S	Bend	trans	-83.2	-2.6	176.4	34.8	0	0	0	0	113	K8	K8-T10 PolarHBondContact O-N 2.64Å
11	F	40.8	Very low	36.6	Very low	159 Å²	159	155.5 Å²	155.5	70%	0.697	81%	0.814	S	S	*	*			trans	-89	119	175.1	-170.1	-103.3	0	0	0	110.9	P9	P9-F11 VanDerWaalsContact C-N 3.28Å
12	R	32	Very low	36.6	Very low	227 Å²	227	151 Å²	151	86%	0.857	79%	0.794	S	S	*	*			trans	-83.8	110	165	-76.2	-171.4	-178.8	-154.3	1.9	108.2
13	S	38.8	Very low	36.7	Very low	70 Å²	70	148.3 Å²	148.3	49%	0.49	79%	0.79	S	S	.	*			trans	-58.9	136.4	161.4	176.9	0	0	0	0	109.6	L15	S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 PolarHBondContact OG-N 3.18Å
14	Y	38.2	Very low	37	Very low	223 Å²	223	153 Å²	153	88%	0.875	80%	0.795	S	S	*	*	S	Bend	trans	-75.3	4.4	173.8	-69.3	-78.3	0	0	0	113.4	L16	Y14-L16 PolarHBondContact O-N 3.47Å
15	L	33.1	Very low	36.9	Very low	149 Å²	149	152.1 Å²	152.1	78%	0.78	79%	0.79	S	S	*	*			trans	-80.4	104.3	172.7	-62.5	173.2	0	0	0	109.2	S13	S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 PolarHBondContact OG-N 3.18Å
16	L	36.8	Very low	36.7	Very low	158 Å²	158	151.2 Å²	151.2	83%	0.827	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-64	150.4	167.9	-74.2	168.5	0	0	0	110.2	Y14	Y14-L16 PolarHBondContact O-N 3.47Å
17	P	36.3	Very low	36.6	Very low	108 Å²	108	150.2 Å²	150.2	70%	0.701	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.1	152.6	175.4	26.3	-32.1	0	0	0	111
18	P	33.5	Very low	36.2	Very low	116 Å²	116	153.1 Å²	153.1	75%	0.753	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-60.7	143.9	-172.1	23.8	-33.1	0	0	0	112
19	P	37.3	Very low	36.2	Very low	115 Å²	115	149.5 Å²	149.5	75%	0.747	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.5	139.8	177.2	22.9	-25.6	0	0	0	110.7	T21	P19-T21 PolarHBondContact O-N 3.29Å
20	Q	33.3	Very low	36.1	Very low	193 Å²	193	153.2 Å²	153.2	90%	0.902	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.8	127.6	170.9	-69.9	179.8	-15.4	0	0	108.8	D22	Q20-D22 PolarHBondContact O-N 3.49Å
21	T	39.6	Very low	36.6	Very low	126 Å²	126	153.7 Å²	153.7	77%	0.773	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60.4	120	171.9	45.3	0	0	0	0	109.5	P19	P19-T21 PolarHBondContact O-N 3.29Å
22	D	36.1	Very low	37.4	Very low	145 Å²	145	153.2 Å²	153.2	78%	0.775	79%	0.786	S	S	*	*			trans	-179.7	114.6	131.2	-87.1	-25.5	0	0	0	109.5	Q20	Q20-D22 PolarHBondContact O-N 3.49Å
23	D	31.2	Very low	39.2	Very low	154 Å²	154	150.2 Å²	150.2	82%	0.824	78%	0.779	S	S	*	*				-179.6	112.7	127.3	-91.3	-24.2	0	0	0	110	I25	D23-I25 PolarHBondContact O-N 3.39Å
24	K	37.4	Very low	41.1	Very low	215 Å²	215	148.5 Å²	148.5	94%	0.935	76%	0.764	S	S	*	*			trans	-72.7	106.8	170.1	-79	178	175.5	175.1	0	108.8
25	I	35.4	Very low	43.2	Very low	147 Å²	147	142.6 Å²	142.6	75%	0.754	75%	0.745	S	S	*	*			trans	-103.5	109.3	164.1	-62.5	177.4	0	0	0	108.5	D23	D23-I25 PolarHBondContact O-N 3.39Å
26	N	36.2	Very low	45.6	Very low	172 Å²	172	136.6 Å²	136.6	92%	0.92	72%	0.715	S	S	*	*			trans	-83	106.1	172.3	-152.3	17.4	0	0	0	107.7
27	S	36.3	Very low	48	Very low	92 Å²	92	135 Å²	135	64%	0.643	71%	0.712	S	S	*	*			trans	-140.4	121.5	168.8	61.9	0	0	0	0	109.6
28	E	31.3	Very low	50.7	Low	185 Å²	185	133.3 Å²	133.3	86%	0.864	70%	0.696	S	S	*	*			trans	-50.6	133.2	174.7	-68.9	178	151.4	0	0	111.1	K30	E28-K30 PolarHBondContact O-N 2.76Å
29	P	37.8	Very low	53.5	Low	118 Å²	118	129.1 Å²	129.1	77%	0.766	67%	0.667	S	S	*	*			trans	-72	102.4	-178.8	27.4	-31.1	0	0	0	109.6	I31	P29-I31 PolarHBondContact O-N 2.99Å
30	K	37.8	Very low	56.2	Low	194 Å²	194	127 Å²	127	84%	0.843	65%	0.653	S	S	*	*			trans	-63.8	102.2	158.1	-73.9	-178.7	178.6	177.6	0	106.7	E28 K32	E28-K30 PolarHBondContact O-N 2.76Å; K30-K32 VanDerWaalsContact C-N 3.33Å; K30-K32 PolarHBondContact O-N 3.22Å
31	I	48.3	Very low	59	Low	162 Å²	162	118.4 Å²	118.4	83%	0.831	62%	0.616	S	S	*	*			trans	-58.7	97.9	173.7	-58.8	171.3	0	0	0	107.1	P29	P29-I31 PolarHBondContact O-N 2.99Å
32	K	57.8	Low	61.6	Low	149 Å²	149	112.9 Å²	112.9	65%	0.648	58%	0.582	S	S	*	*			trans	-71.5	135.4	170.4	-79.1	178.4	179.7	172.3	0	106.6	K30 L34	K30-K32 VanDerWaalsContact C-N 3.33Å; K30-K32 PolarHBondContact O-N 3.22Å; K32-L34 PolarHBondContact O-N 3.15Å; K32-L34 VanDerWaalsContact O-N 3.09Å
33	K	70.4	Confident	64.4	Low	164 Å²	164	110.7 Å²	110.7	71%	0.713	57%	0.569	S	S	*	*			trans	-68.1	111.8	173.8	-161.2	-178.6	-176.2	-150.8	0	107.5	E35	K33-E35 HydrophobicContact CB-CG 4.33Å; K33-E35 HydrophobicContact CD-CG 4.11Å; K33-E35 WeakPolarHBondContact CD-OE1 3.19Å; K33-E35 WeakPolarHBondContact CE-OE1 3.35Å; K33-E35 HydrophobicContact CG-CG 4.05Å; K33-E35 IonicContact NZ-OE1 3.25Å; K33-E35 PolarHBondContact NZ-OE1 3.09Å; K33-E35 PolarHBondContact O-N 3.03Å
34	L	78.6	Confident	67.6	Low	33 Å²	33	106 Å²	106	17%	0.173	55%	0.546	C	S	.	.			trans	-68.7	95.5	175.6	-61.3	175.6	0	0	0	109.1	K32 K67 I78 D80	K32-L34 PolarHBondContact O-N 3.15Å; K32-L34 VanDerWaalsContact O-N 3.09Å; L34-K67 HydrophobicContact CB-CB 4.42Å; L34-K67 HydrophobicContact CD1-CB 4.22Å; L34-K67 WeakPolarHBondContact O-CE 3.29Å; L34-K67 PolarHBondContact O-NZ 3.31Å; L34-I78 HydrophobicContact CB-CB 4.43Å; L34-I78 HydrophobicContact CB-CG2 4.18Å; L34-I78 HydrophobicContact CD2-CG2 3.9Å; L34-D80 HydrophobicContact CD2-CB 4.33Å; L34-D80 VanDerWaalsContact CD2-CG 3.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.47Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.3Å
35	E	81.9	Confident	70.4	Confident	99 Å²	99	97.7 Å²	97.7	46%	0.463	51%	0.513	S	S	.	.			trans	-110.5	135.2	-177.9	-72.9	-75.7	172.6	0	0	110.7	K33	K33-E35 HydrophobicContact CB-CG 4.33Å; K33-E35 HydrophobicContact CD-CG 4.11Å; K33-E35 WeakPolarHBondContact CD-OE1 3.19Å; K33-E35 WeakPolarHBondContact CE-OE1 3.35Å; K33-E35 HydrophobicContact CG-CG 4.05Å; K33-E35 IonicContact NZ-OE1 3.25Å; K33-E35 PolarHBondContact NZ-OE1 3.09Å; K33-E35 PolarHBondContact O-N 3.03Å
36	P	83.8	Confident	73.3	Confident	24 Å²	24	92.7 Å²	92.7	16%	0.156	49%	0.488	C	S	.	.			trans	-72.5	146.5	176.9	29.5	-33.1	0	0	0	112.3	L38 V44 I69 I78	P36-L38 HydrophobicContact CB-CD2 3.9Å; P36-L38 HydrophobicContact CB-CG 4.27Å; P36-L38 HydrophobicContact CG-CD2 4.08Å; P36-L38 HydrophobicContact CG-CG 4.18Å; P36-V44 HydrophobicContact CG-CG2 4.04Å; P36-I69 HydrophobicContact CB-CD1 3.75Å; P36-I69 HydrophobicContact CG-CD1 3.82Å; P36-I78 HydrophobicContact CB-CD1 4.02Å
37	V	87.5	Confident	76.1	Confident	125 Å²	125	88.1 Å²	88.1	76%	0.758	46%	0.461	S	S	*	.			trans	-89.8	107.3	164.7	-177.5	0	0	0	0	107.9
38	L	92.8	Very high	79	Confident	71 Å²	71	83.9 Å²	83.9	37%	0.372	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-98	138.4	-177.4	-59.1	178.6	0	0	0	111.1	P36 E42 V44	P36-L38 HydrophobicContact CB-CD2 3.9Å; P36-L38 HydrophobicContact CB-CG 4.27Å; P36-L38 HydrophobicContact CG-CD2 4.08Å; P36-L38 HydrophobicContact CG-CG 4.18Å; L38-E42 WeakPolarHBondContact CA-OE2 3.36Å; L38-E42 HydrophobicContact CB-CB 4.18Å; L38-E42 HydrophobicContact CD2-CB 4.48Å; L38-E42 HydrophobicContact CD2-CG 3.96Å; L38-V44 HydrophobicContact CD1-CG2 4.12Å; L38-V44 HydrophobicContact CD2-CG2 4.12Å
39	L	93.1	Very high	82	Confident	29 Å²	29	78.3 Å²	78.3	15%	0.152	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-76.7	161.1	171.1	-64.2	178.2	0	0	0	111.4	G41 E42 F73 L94 F176 Y180 L501	L39-G41 PolarHBondContact O-N 3.46Å; L39-G41 VanDerWaalsContact O-N 3.16Å; L39-E42 HydrophobicContact CB-CB 4.23Å; L39-E42 PolarHBondContact N-OE2 3.05Å; L39-E42 WeakPolarHBondContact O-CB 3.48Å; L39-E42 PolarHBondContact O-N 3.23Å; L39-F73 HydrophobicContact CD1-CD1 4.13Å; L39-F73 HydrophobicContact CD1-CE1 3.71Å; L39-F73 HydrophobicContact CD1-CZ 4.39Å; L39-L94 HydrophobicContact CD1-CB 4.29Å; L39-L94 HydrophobicContact CD1-CD2 4.04Å; L39-L94 HydrophobicContact CD2-CD2 4Å; L39-F176 HydrophobicContact CB-CE1 4.12Å; L39-F176 HydrophobicContact CB-CZ 3.83Å; L39-F176 HydrophobicContact CD1-CE1 3.86Å; L39-F176 HydrophobicContact CD1-CZ 4.4Å; L39-Y180 HydrophobicContact CB-CD2 4.41Å; L39-Y180 HydrophobicContact CB-CE2 4.39Å; L39-L501 HydrophobicContact CD1-CD1 4.01Å
40	P	93.1	Very high	84.7	Confident	69 Å²	69	79.1 Å²	79.1	45%	0.448	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	122.3	170.6	-28.6	34.7	0	0	0	112.2	E42 Y180	P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 2.85Å; P40-Y180 HydrophobicContact CB-CD2 4.37Å; P40-Y180 HydrophobicContact CB-CE2 4.33Å; P40-Y180 HydrophobicContact CG-CE2 4.22Å; P40-Y180 WeakPolarHBondContact O-CD2 3.43Å
41	G	92.1	Very high	87.4	Confident	13 Å²	13	69.9 Å²	69.9	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-3.8	-177.6	0	0	0	0	0	114.9	L39 N72	L39-G41 PolarHBondContact O-N 3.46Å; L39-G41 VanDerWaalsContact O-N 3.16Å; G41-N72 PolarHBondContact O-ND2 3.18Å
42	E	95.3	Very high	89.5	Confident	11 Å²	11	64.1 Å²	64.1	5%	0.051	33%	0.327	C	S	.	.			trans	-78.4	132.1	173.9	-167.4	179.1	-178.6	0	0	110.2	L38 L39 P40 S71 N72 F73 K74 F176	L38-E42 WeakPolarHBondContact CA-OE2 3.36Å; L38-E42 HydrophobicContact CB-CB 4.18Å; L38-E42 HydrophobicContact CD2-CB 4.48Å; L38-E42 HydrophobicContact CD2-CG 3.96Å; L39-E42 HydrophobicContact CB-CB 4.23Å; L39-E42 PolarHBondContact N-OE2 3.05Å; L39-E42 WeakPolarHBondContact O-CB 3.48Å; L39-E42 PolarHBondContact O-N 3.23Å; P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 2.85Å; E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.22Å; E42-S71 PolarHBondContact OE1-OG 3.4Å; E42-N72 WeakPolarHBondContact CA-OD1 3.46Å; E42-F73 HydrophobicContact CG-CB 4.09Å; E42-K74 WeakPolarHBondContact OE1-CE 3.45Å; E42-K74 WeakPolarHBondContact OE1-CG 3.37Å; E42-F176 HydrophobicContact CB-CE2 3.76Å; E42-F176 HydrophobicContact CB-CZ 3.82Å; E42-F176 HydrophobicContact CG-CE2 4.32Å
43	I	95.1	Very high	91.2	Very high	98 Å²	98	58.2 Å²	58.2	50%	0.503	30%	0.301	S	S	.	.			trans	-127.9	140.5	179.9	60.6	168.8	0	0	0	110.6	V45 S71 N72	I43-V45 PolarHBondContact O-N 2.87Å; I43-S71 CarbonylContact O-C 3.56Å; I43-S71 WeakPolarHBondContact O-CA 3.46Å; I43-S71 WeakPolarHBondContact O-CB 3.27Å; I43-N72 HydrophobicContact CG1-CB 4.14Å; I43-N72 PolarHBondContact N-OD1 3.2Å; I43-N72 PolarHBondContact O-N 3.2Å
44	V	96.8	Very high	92.1	Very high	57 Å²	57	51.7 Å²	51.7	35%	0.345	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.1	171	175.8	0	0	0	0	108.9	P36 L38 I69	P36-V44 HydrophobicContact CG-CG2 4.04Å; L38-V44 HydrophobicContact CD1-CG2 4.12Å; L38-V44 HydrophobicContact CD2-CG2 4.12Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.82Å; V44-I69 HydrophobicContact CG2-CG2 3.92Å
45	V	96.1	Very high	92.2	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-43.7	177.1	175.4	0	0	0	0	110.3	I43 C70 A162 Y166	I43-V45 PolarHBondContact O-N 2.87Å; V45-C70 WeakPolarHBondContact CA-O 3.38Å; V45-C70 WeakPolarHBondContact CB-O 3.5Å; V45-C70 PolarHBondContact N-O 3.34Å; V45-A162 HydrophobicContact CG1-CB 3.94Å; V45-Y166 HydrophobicContact CB-CE2 4.2Å; V45-Y166 HydrophobicContact CG1-CD2 3.79Å; V45-Y166 HydrophobicContact CG1-CE2 3.28Å; V45-Y166 HydrophobicContact CG2-CD1 4.17Å; V45-Y166 HydrophobicContact CG2-CD2 4.25Å; V45-Y166 HydrophobicContact CG2-CE1 3.76Å; V45-Y166 HydrophobicContact CG2-CE2 3.88Å; V45-Y166 HydrophobicContact CG2-CG 4.39Å
46	N	96.9	Very high	91.3	Very high	42 Å²	42	50.8 Å²	50.8	23%	0.225	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.6	178.6	-140.7	-85.8	0	0	0	111.1	C70 V159 A162	N46-C70 PolarHBondContact N-O 3.09Å; N46-C70 VanDerWaalsContact N-O 3.13Å; N46-C70 PolarHBondContact O-N 3.37Å; N46-V159 HydrophobicContact CB-CB 4.45Å; N46-V159 HydrophobicContact CB-CG2 4.33Å; N46-V159 PolarHBondContact OD1-N 2.99Å; N46-A162 HydrophobicContact CB-CB 3.75Å
47	E	96.4	Very high	90.1	Very high	77 Å²	77	54.1 Å²	54.1	36%	0.36	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.4	175.8	60.8	169.1	-150.1	0	0	111.5	K67 L68 I69	E47-K67 IonicContact OE1-NZ 3.96Å; E47-K67 IonicContact OE2-NZ 2.94Å; E47-K67 PolarHBondContact OE2-NZ 3.28Å; E47-L68 CarbonylContact C-O 3.52Å; E47-L68 VanDerWaalsContact CA-O 3.27Å; E47-L68 WeakPolarHBondContact CA-O 3.42Å; E47-I69 HydrophobicContact CB-CG1 4.01Å
48	V	96.6	Very high	88.5	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.6	173.7	56.4	0	0	0	0	109.5	V51 K67 L68 F148 V159	V48-V51 HydrophobicContact CB-CG2 4.32Å; V48-V51 HydrophobicContact CG1-CG2 3.54Å; V48-V51 HydrophobicContact CG2-CG2 4.11Å; V48-K67 WeakPolarHBondContact O-CA 3.26Å; V48-K67 WeakPolarHBondContact O-CG 3.43Å; V48-L68 HydrophobicContact CG1-CB 3.89Å; V48-L68 HydrophobicContact CG1-CD2 4.48Å; V48-L68 PolarHBondContact N-O 3.31Å; V48-L68 PolarHBondContact O-N 3.41Å; V48-F148 HydrophobicContact CG1-CE1 4.11Å; V48-V159 HydrophobicContact CB-CG1 4.38Å; V48-V159 HydrophobicContact CG1-CB 4.07Å; V48-V159 HydrophobicContact CG1-CG1 3.55Å; V48-V159 HydrophobicContact CG1-CG2 4.37Å
49	N	94.9	Very high	86.9	Confident	69 Å²	69	53.7 Å²	53.7	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	166.1	178.7	-65.2	-62.9	0	0	0	111.1	V51 K67 S151	N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 2.98Å; N49-K67 WeakPolarHBondContact OD1-CE 3.47Å; N49-S151 PolarHBondContact O-OG 3.41Å; N49-S151 VanDerWaalsContact O-OG 3.13Å
50	F	93.1	Very high	85.4	Confident	135 Å²	135	56 Å²	56	59%	0.592	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.6	45.5	176.9	-47.9	-72.7	0	0	0	111.6	G66 E150 S151	F50-G66 PolarHBondContact N-O 3.08Å; F50-E150 HydrophobicContact CB-CB 4.09Å; F50-S151 PolarHBondContact O-OG 3.4Å
51	V	94.9	Very high	84	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.9	174.7	-178.1	0	0	0	0	108.5	V48 N49 G66 L68 F77 F146 F148	V48-V51 HydrophobicContact CB-CG2 4.32Å; V48-V51 HydrophobicContact CG1-CG2 3.54Å; V48-V51 HydrophobicContact CG2-CG2 4.11Å; N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 2.98Å; V51-G66 PolarHBondContact N-O 2.64Å; V51-G66 PolarHBondContact O-N 3.29Å; V51-L68 HydrophobicContact CB-CB 4.27Å; V51-L68 HydrophobicContact CG1-CB 4.24Å; V51-L68 HydrophobicContact CG2-CB 3.84Å; V51-F77 HydrophobicContact CB-CE2 4.28Å; V51-F77 HydrophobicContact CG1-CE2 4.39Å; V51-F146 HydrophobicContact CG1-CB 3.79Å; V51-F146 HydrophobicContact CG1-CD1 3.78Å; V51-F146 HydrophobicContact CG1-CG 4.13Å; V51-F148 HydrophobicContact CG1-CD1 4.27Å; V51-F148 HydrophobicContact CG1-CE1 4.06Å; V51-F148 HydrophobicContact CG2-CD1 4.02Å; V51-F148 HydrophobicContact CG2-CE1 3.99Å
52	R	93	Very high	83.1	Confident	40 Å²	40	65.2 Å²	65.2	15%	0.151	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.9	172.5	-177	168.6	57.9	160.1	-5	109.8	D63 L64 W65 F146 R147 D149	R52-D63 WeakPolarHBondContact CD-OD2 3.41Å; R52-D63 HydrophobicContact CG-CB 3.64Å; R52-D63 IonicContact CZ-OD2 2.64Å; R52-D63 IonicContact NE-OD2 3.22Å; R52-D63 IonicContact NH1-OD2 2.75Å; R52-L64 CarbonylContact C-O 3.5Å; R52-L64 WeakPolarHBondContact CA-O 3.38Å; R52-W65 HydrophobicContact CB-CD2 4.14Å; R52-W65 HydrophobicContact CB-CE3 3.98Å; R52-W65 HydrophobicContact CB-CH2 3.94Å; R52-W65 HydrophobicContact CB-CZ2 4.07Å; R52-W65 HydrophobicContact CB-CZ3 3.88Å; R52-W65 HydrophobicContact CG-CD2 4.49Å; R52-W65 HydrophobicContact CG-CZ2 4.27Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.27Å; R52-F146 WeakPolarHBondContact O-CA 3.01Å; R52-R147 HydrophobicContact CB-CB 4.43Å; R52-R147 PolarHBondContact N-O 3.21Å; R52-R147 PolarHBondContact O-N 3.08Å; R52-D149 IonicContact CZ-OD2 3.83Å; R52-D149 VanDerWaalsContact CZ-OD2 3.31Å; R52-D149 IonicContact NE-OD2 3.41Å; R52-D149 PolarHBondContact NE-OD2 3.36Å; R52-D149 IonicContact NH2-OD1 3.02Å; R52-D149 IonicContact NH2-OD2 2.69Å; R52-D149 PolarHBondContact NH2-OD2 3.49Å
53	K	93.1	Very high	82.6	Confident	25 Å²	25	65.7 Å²	65.7	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.6	170.2	-178.1	-178.7	172.6	-174	0	108.9	I55 D63 L64 F77 H98 R145 F146	K53-I55 HydrophobicContact CD-CD1 4.08Å; K53-I55 HydrophobicContact CG-CD1 4.14Å; K53-D63 WeakPolarHBondContact O-CA 3.46Å; K53-L64 HydrophobicContact CB-CB 4.43Å; K53-L64 PolarHBondContact N-O 2.73Å; K53-L64 PolarHBondContact O-N 2.91Å; K53-F77 HydrophobicContact CB-CD1 4.07Å; K53-F77 HydrophobicContact CB-CD2 4.4Å; K53-F77 HydrophobicContact CB-CE1 3.65Å; K53-F77 HydrophobicContact CB-CE2 4Å; K53-F77 HydrophobicContact CB-CG 4.42Å; K53-F77 HydrophobicContact CB-CZ 3.61Å; K53-F77 HydrophobicContact CD-CD1 3.66Å; K53-F77 HydrophobicContact CD-CE1 3.94Å; K53-F77 HydrophobicContact CD-CG 4.2Å; K53-F77 HydrophobicContact CG-CD1 4.48Å; K53-F77 HydrophobicContact CG-CE1 4.45Å; K53-H98 PolarHBondContact NZ-ND1 3.04Å; K53-R145 WeakPolarHBondContact CA-O 2.97Å; K53-F146 HydrophobicContact CB-CD1 3.85Å; K53-F146 HydrophobicContact CB-CE1 3.75Å; K53-F146 HydrophobicContact CD-CE1 3.97Å; K53-F146 HydrophobicContact CG-CD1 4.09Å; K53-F146 HydrophobicContact CG-CE1 3.7Å; K53-F146 HydrophobicContact CG-CZ 4.49Å
54	C	88.7	Confident	82.4	Confident	28 Å²	28	61.5 Å²	61.5	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126	178.9	-45.7	0	0	0	0	110	D63 R145	C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.27Å; C54-R145 HydrophobicContact CB-CB 3.98Å; C54-R145 PolarHBondContact N-O 3Å
55	I	80.4	Confident	82.1	Confident	79 Å²	79	63 Å²	63	41%	0.405	32%	0.323	S	S	.	.			trans	-103.4	-41.1	180	-59.2	-59.7	0	0	0	111.7	K53 Y62 D63 L64	K53-I55 HydrophobicContact CD-CD1 4.08Å; K53-I55 HydrophobicContact CG-CD1 4.14Å; I55-Y62 VanDerWaalsContact CG1-O 3.27Å; I55-Y62 WeakPolarHBondContact CG1-O 3.43Å; I55-D63 PolarHBondContact N-OD1 3.16Å; I55-D63 VanDerWaalsContact N-OD1 3.12Å; I55-L64 HydrophobicContact CD1-CD1 3.96Å; I55-L64 HydrophobicContact CD1-CG 4.3Å; I55-L64 HydrophobicContact CG1-CD1 4.19Å; I55-L64 HydrophobicContact CG1-CG 4.01Å
56	A	64.1	Low	82	Confident	34 Å²	34	61.5 Å²	61.5	28%	0.281	32%	0.316	S	S	.	.			trans	-108.2	151.9	176.9	0	0	0	0	0	111.2
57	T	57.8	Low	81.9	Confident	94 Å²	94	60.2 Å²	60.2	58%	0.577	31%	0.308	S	S	*	.	S	Bend	trans	-79.8	-20	-179.1	44.9	0	0	0	0	113.2	E358	T57-E358 HydrophobicContact CG2-CG 4.39Å
58	D	54.3	Low	81.9	Confident	133 Å²	133	56.6 Å²	56.6	71%	0.711	29%	0.291	S	S	*	.	S	Bend	trans	-120.6	-20.6	-168.6	63.2	-4	0	0	0	114.6
59	T	58.8	Low	81.9	Confident	54 Å²	54	56.6 Å²	56.6	33%	0.331	29%	0.291	S	S	.	.			trans	-139.1	122.8	-173.4	49.5	0	0	0	0	112.3	Q61	T59-Q61 PolarHBondContact O-N 3.04Å; T59-Q61 VanDerWaalsContact O-N 3.13Å
60	S	63	Low	82.1	Confident	78 Å²	78	53.3 Å²	53.3	55%	0.545	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-75.9	6	177.5	68.9	0	0	0	0	114	Y62 D63	S60-Y62 PolarHBondContact O-N 2.83Å; S60-D63 WeakPolarHBondContact CA-OD2 3.42Å; S60-D63 WeakPolarHBondContact CB-OD2 3.33Å; S60-D63 PolarHBondContact O-N 2.86Å
61	Q	63.6	Low	82.3	Confident	158 Å²	158	47 Å²	47	74%	0.738	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-72.1	-19.3	-173	-70.1	-174.1	1.2	0	0	112.7	T59	T59-Q61 PolarHBondContact O-N 3.04Å; T59-Q61 VanDerWaalsContact O-N 3.13Å
62	Y	72.5	Confident	82.3	Confident	116 Å²	116	48.2 Å²	48.2	46%	0.455	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-113.7	8.4	-178.7	-56.1	-71.9	0	0	0	113	I55 S60 L85	I55-Y62 VanDerWaalsContact CG1-O 3.27Å; I55-Y62 WeakPolarHBondContact CG1-O 3.43Å; S60-Y62 PolarHBondContact O-N 2.83Å; Y62-L85 HydrophobicContact CD1-CD1 3.78Å; Y62-L85 HydrophobicContact CE1-CD1 3.72Å
63	D	85.5	Confident	82.5	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.112	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.3	144.2	177.4	-68.2	-13.2	0	0	0	110.2	R52 K53 C54 I55 S60	R52-D63 WeakPolarHBondContact CD-OD2 3.41Å; R52-D63 HydrophobicContact CG-CB 3.64Å; R52-D63 IonicContact CZ-OD2 2.64Å; R52-D63 IonicContact NE-OD2 3.22Å; R52-D63 IonicContact NH1-OD2 2.75Å; K53-D63 WeakPolarHBondContact O-CA 3.46Å; C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.27Å; I55-D63 PolarHBondContact N-OD1 3.16Å; I55-D63 VanDerWaalsContact N-OD1 3.12Å; S60-D63 WeakPolarHBondContact CA-OD2 3.42Å; S60-D63 WeakPolarHBondContact CB-OD2 3.33Å; S60-D63 PolarHBondContact O-N 2.86Å
64	L	89	Confident	82.6	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.7	-177.4	-56.5	173.6	0	0	0	109.8	R52 K53 I55 F77 T79 D81 M83	R52-L64 CarbonylContact C-O 3.5Å; R52-L64 WeakPolarHBondContact CA-O 3.38Å; K53-L64 HydrophobicContact CB-CB 4.43Å; K53-L64 PolarHBondContact N-O 2.73Å; K53-L64 PolarHBondContact O-N 2.91Å; I55-L64 HydrophobicContact CD1-CD1 3.96Å; I55-L64 HydrophobicContact CD1-CG 4.3Å; I55-L64 HydrophobicContact CG1-CD1 4.19Å; I55-L64 HydrophobicContact CG1-CG 4.01Å; L64-F77 HydrophobicContact CB-CE1 3.81Å; L64-F77 HydrophobicContact CB-CZ 4.15Å; L64-F77 WeakPolarHBondContact O-CZ 3.45Å; L64-T79 HydrophobicContact CB-CG2 4.5Å; L64-T79 HydrophobicContact CD1-CG2 4.31Å; L64-D81 HydrophobicContact CD2-CB 4.03Å; L64-M83 HydrophobicContact CD1-SD 4.44Å
65	W	91.4	Very high	83	Confident	87 Å²	87	44.3 Å²	44.3	33%	0.33	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	140	172.7	-72.6	94	0	0	0	110.7	R52 T79 D81 E150	R52-W65 HydrophobicContact CB-CD2 4.14Å; R52-W65 HydrophobicContact CB-CE3 3.98Å; R52-W65 HydrophobicContact CB-CH2 3.94Å; R52-W65 HydrophobicContact CB-CZ2 4.07Å; R52-W65 HydrophobicContact CB-CZ3 3.88Å; R52-W65 HydrophobicContact CG-CD2 4.49Å; R52-W65 HydrophobicContact CG-CZ2 4.27Å; W65-T79 VanDerWaalsContact O-CB 3.24Å; W65-T79 WeakPolarHBondContact O-CB 3.32Å; W65-T79 PolarHBondContact O-OG1 2.6Å; W65-D81 PolarHBondContact N-OD2 2.9Å; W65-E150 HydrophobicContact CH2-CB 4.29Å; W65-E150 HydrophobicContact CH2-CG 3.85Å; W65-E150 HydrophobicContact CZ3-CB 4.06Å; W65-E150 HydrophobicContact CZ3-CG 4.13Å
66	G	93.3	Very high	83.8	Confident	8 Å²	8	41 Å²	41	8%	0.082	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-161.5	-175.4	0	0	0	0	0	115.1	F50 V51 I78	F50-G66 PolarHBondContact N-O 3.08Å; V51-G66 PolarHBondContact N-O 2.64Å; V51-G66 PolarHBondContact O-N 3.29Å; G66-I78 CarbonylContact C-O 3.19Å; G66-I78 WeakPolarHBondContact CA-O 3.35Å
67	K	94.8	Very high	85.2	Confident	16 Å²	16	39.7 Å²	39.7	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.1	177.6	-178.3	-169.4	-81.9	-172.6	0	109.4	L34 E47 V48 N49 I69 F77 I78	L34-K67 HydrophobicContact CB-CB 4.42Å; L34-K67 HydrophobicContact CD1-CB 4.22Å; L34-K67 WeakPolarHBondContact O-CE 3.29Å; L34-K67 PolarHBondContact O-NZ 3.31Å; E47-K67 IonicContact OE1-NZ 3.96Å; E47-K67 IonicContact OE2-NZ 2.94Å; E47-K67 PolarHBondContact OE2-NZ 3.28Å; V48-K67 WeakPolarHBondContact O-CA 3.26Å; V48-K67 WeakPolarHBondContact O-CG 3.43Å; N49-K67 WeakPolarHBondContact OD1-CE 3.47Å; K67-I69 HydrophobicContact CD-CD1 3.7Å; K67-I69 HydrophobicContact CD-CG1 3.77Å; K67-I69 HydrophobicContact CG-CD1 4.29Å; K67-I69 HydrophobicContact CG-CG1 3.89Å; K67-F77 WeakPolarHBondContact O-CA 3.21Å; K67-I78 PolarHBondContact N-O 2.62Å; K67-I78 PolarHBondContact O-N 3.1Å
68	L	97.2	Very high	86.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.8	172.3	-176.2	66.2	0	0	0	109.8	E47 V48 V51 I75 F77 L134 F146 F148 V159 I163	E47-L68 CarbonylContact C-O 3.52Å; E47-L68 VanDerWaalsContact CA-O 3.27Å; E47-L68 WeakPolarHBondContact CA-O 3.42Å; V48-L68 HydrophobicContact CG1-CB 3.89Å; V48-L68 HydrophobicContact CG1-CD2 4.48Å; V48-L68 PolarHBondContact N-O 3.31Å; V48-L68 PolarHBondContact O-N 3.41Å; V51-L68 HydrophobicContact CB-CB 4.27Å; V51-L68 HydrophobicContact CG1-CB 4.24Å; V51-L68 HydrophobicContact CG2-CB 3.84Å; L68-I75 HydrophobicContact CD1-CG2 3.35Å; L68-I75 HydrophobicContact CG-CG2 4.32Å; L68-F77 HydrophobicContact CD1-CB 4.39Å; L68-L134 HydrophobicContact CD2-CD2 4Å; L68-F146 HydrophobicContact CD1-CD1 4.37Å; L68-F146 HydrophobicContact CD1-CD2 4.18Å; L68-F146 HydrophobicContact CD1-CE1 3.95Å; L68-F146 HydrophobicContact CD1-CE2 3.73Å; L68-F146 HydrophobicContact CD1-CG 4.47Å; L68-F146 HydrophobicContact CD1-CZ 3.6Å; L68-F146 HydrophobicContact CD2-CD2 4.07Å; L68-F146 HydrophobicContact CD2-CE2 4.42Å; L68-F146 HydrophobicContact CD2-CG 4.16Å; L68-F148 HydrophobicContact CD2-CE1 4.23Å; L68-F148 HydrophobicContact CD2-CZ 4.32Å; L68-V159 HydrophobicContact CD2-CG1 4.31Å; L68-I163 HydrophobicContact CD2-CD1 4.41Å
69	I	97.2	Very high	88.5	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.9	-175.8	-56.2	176.2	0	0	0	108.6	P36 V44 E47 K67 I75 S76 I78	P36-I69 HydrophobicContact CB-CD1 3.75Å; P36-I69 HydrophobicContact CG-CD1 3.82Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.82Å; V44-I69 HydrophobicContact CG2-CG2 3.92Å; E47-I69 HydrophobicContact CB-CG1 4.01Å; K67-I69 HydrophobicContact CD-CD1 3.7Å; K67-I69 HydrophobicContact CD-CG1 3.77Å; K67-I69 HydrophobicContact CG-CD1 4.29Å; K67-I69 HydrophobicContact CG-CG1 3.89Å; I69-I75 CarbonylContact O-C 3.47Å; I69-I75 VanDerWaalsContact O-CA 3.29Å; I69-I75 WeakPolarHBondContact O-CA 3.46Å; I69-S76 PolarHBondContact N-O 2.9Å; I69-S76 PolarHBondContact O-N 3.26Å; I69-I78 HydrophobicContact CD1-CD1 3.64Å; I69-I78 HydrophobicContact CD1-CG1 4.36Å
70	C	97.8	Very high	89.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.1	165.7	-174.8	0	0	0	0	108.3	V45 N46 V159 A162 I163	V45-C70 WeakPolarHBondContact CA-O 3.38Å; V45-C70 WeakPolarHBondContact CB-O 3.5Å; V45-C70 PolarHBondContact N-O 3.34Å; N46-C70 PolarHBondContact N-O 3.09Å; N46-C70 VanDerWaalsContact N-O 3.13Å; N46-C70 PolarHBondContact O-N 3.37Å; C70-V159 HydrophobicContact CB-CG2 4.16Å; C70-A162 HydrophobicContact CB-CB 4.41Å; C70-I163 HydrophobicContact CB-CG1 3.76Å
71	S	97.3	Very high	90	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-174.6	167.5	74.3	0	0	0	0	111	E42 I43 F73 K74	E42-S71 VanDerWaalsContact OE1-CB 3.24Å; E42-S71 WeakPolarHBondContact OE1-CB 3.22Å; E42-S71 PolarHBondContact OE1-OG 3.4Å; I43-S71 CarbonylContact O-C 3.56Å; I43-S71 WeakPolarHBondContact O-CA 3.46Å; I43-S71 WeakPolarHBondContact O-CB 3.27Å; S71-F73 PolarHBondContact OG-N 2.97Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; S71-K74 PolarHBondContact N-O 3.05Å; S71-K74 PolarHBondContact OG-N 3.47Å; S71-K74 PolarHBondContact OG-O 3.02Å
72	N	95.6	Very high	89.9	Confident	26 Å²	26	31.3 Å²	31.3	14%	0.139	16%	0.161	C	C	.	.	S	Bend	trans	-78.5	1.2	167.2	63.8	-29.7	0	0	0	113.5	G41 E42 I43 Y166	G41-N72 PolarHBondContact O-ND2 3.18Å; E42-N72 WeakPolarHBondContact CA-OD1 3.46Å; I43-N72 HydrophobicContact CG1-CB 4.14Å; I43-N72 PolarHBondContact N-OD1 3.2Å; I43-N72 PolarHBondContact O-N 3.2Å; N72-Y166 HydrophobicContact CB-CD1 4.25Å; N72-Y166 HydrophobicContact CB-CE1 4.21Å
73	F	96.6	Very high	89.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-120.4	-43.3	-178.2	173.3	-134.7	0	0	0	113.1	L39 E42 S71 L95 L102 F176 I499	L39-F73 HydrophobicContact CD1-CD1 4.13Å; L39-F73 HydrophobicContact CD1-CE1 3.71Å; L39-F73 HydrophobicContact CD1-CZ 4.39Å; E42-F73 HydrophobicContact CG-CB 4.09Å; S71-F73 PolarHBondContact OG-N 2.97Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; F73-L95 HydrophobicContact CE1-CD2 3.75Å; F73-L95 HydrophobicContact CZ-CD2 3.93Å; F73-L102 WeakPolarHBondContact O-CB 3.25Å; F73-L102 WeakPolarHBondContact O-CG 3.25Å; F73-L102 PolarHBondContact O-N 3.23Å; F73-F176 HydrophobicContact CB-CB 4.03Å; F73-F176 HydrophobicContact CB-CD1 3.85Å; F73-F176 HydrophobicContact CB-CD2 3.7Å; F73-F176 HydrophobicContact CB-CE1 4.23Å; F73-F176 HydrophobicContact CB-CE2 4.12Å; F73-F176 HydrophobicContact CB-CG 3.56Å; F73-F176 HydrophobicContact CB-CZ 4.37Å; F73-F176 HydrophobicContact CD1-CD1 4.07Å; F73-F176 HydrophobicContact CD1-CE1 4.06Å; F73-F176 HydrophobicContact CD2-CB 3.58Å; F73-F176 AromaticContact CD2-CD1 3.23Å; F73-F176 HydrophobicContact CD2-CD1 3.23Å; F73-F176 HydrophobicContact CD2-CD2 4.48Å; F73-F176 HydrophobicContact CD2-CE1 4.05Å; F73-F176 AromaticContact CD2-CG 3.5Å; F73-F176 HydrophobicContact CD2-CG 3.5Å; F73-F176 HydrophobicContact CE1-CD1 4.47Å; F73-F176 HydrophobicContact CE1-CE1 4.44Å; F73-F176 HydrophobicContact CE2-CB 4.45Å; F73-F176 AromaticContact CE2-CD1 3.7Å; F73-F176 HydrophobicContact CE2-CD1 3.7Å; F73-F176 HydrophobicContact CE2-CE1 4.42Å; F73-F176 HydrophobicContact CE2-CG 4.37Å; F73-F176 HydrophobicContact CG-CB 4.14Å; F73-F176 AromaticContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD1 3.44Å; F73-F176 VanDerWaalsContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD2 4.25Å; F73-F176 AromaticContact CG-CE1 3.85Å; F73-F176 HydrophobicContact CG-CE1 3.85Å; F73-F176 AromaticContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CZ 4.44Å; F73-F176 HydrophobicContact CZ-CD1 4.3Å; F73-I499 HydrophobicContact CE2-CG2 4.12Å; F73-I499 HydrophobicContact CZ-CG2 3.93Å
74	K	96.6	Very high	87.9	Confident	7 Å²	7	32.9 Å²	32.9	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	167.2	-168.6	59.5	-175.5	176.6	175.5	0	112.1	E42 S71 L94 L95 D99 V100	E42-K74 WeakPolarHBondContact OE1-CE 3.45Å; E42-K74 WeakPolarHBondContact OE1-CG 3.37Å; S71-K74 PolarHBondContact N-O 3.05Å; S71-K74 PolarHBondContact OG-N 3.47Å; S71-K74 PolarHBondContact OG-O 3.02Å; K74-L94 PolarHBondContact NZ-O 3.03Å; K74-L94 VanDerWaalsContact NZ-O 3.07Å; K74-L95 HydrophobicContact CB-CD2 4.48Å; K74-L95 HydrophobicContact CD-CD2 3.76Å; K74-D99 HydrophobicContact CD-CB 4.08Å; K74-D99 VanDerWaalsContact CD-OD2 3.31Å; K74-D99 WeakPolarHBondContact CD-OD2 3.48Å; K74-D99 VanDerWaalsContact CE-OD2 3.29Å; K74-D99 WeakPolarHBondContact CE-OD2 3.38Å; K74-D99 IonicContact NZ-OD2 3.85Å; K74-D99 PolarHBondContact NZ-OD2 3.29Å; K74-V100 CarbonylContact C-O 3.55Å; K74-V100 WeakPolarHBondContact CA-O 2.98Å; K74-V100 WeakPolarHBondContact CB-O 3.43Å
75	I	97	Very high	86.1	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.6	157.8	-57.7	174.1	0	0	0	107.3	L68 I69 D99 V100 L102 I105 I136 I163	L68-I75 HydrophobicContact CD1-CG2 3.35Å; L68-I75 HydrophobicContact CG-CG2 4.32Å; I69-I75 CarbonylContact O-C 3.47Å; I69-I75 VanDerWaalsContact O-CA 3.29Å; I69-I75 WeakPolarHBondContact O-CA 3.46Å; I75-D99 CarbonylContact O-C 3.5Å; I75-D99 WeakPolarHBondContact O-CA 3.47Å; I75-V100 PolarHBondContact N-O 3.05Å; I75-V100 PolarHBondContact O-N 3.25Å; I75-L102 HydrophobicContact CG1-CD2 4.15Å; I75-I105 HydrophobicContact CD1-CD1 3.42Å; I75-I105 VanDerWaalsContact CD1-CD1 3.42Å; I75-I105 HydrophobicContact CD1-CG1 4.36Å; I75-I105 HydrophobicContact CG1-CD1 4.02Å; I75-I136 HydrophobicContact CD1-CD1 3.52Å; I75-I163 HydrophobicContact CD1-CB 4.42Å; I75-I163 HydrophobicContact CD1-CD1 3.81Å; I75-I163 HydrophobicContact CD1-CG1 3.95Å; I75-I163 HydrophobicContact CD1-CG2 3.56Å; I75-I163 HydrophobicContact CG1-CD1 4.18Å; I75-I163 HydrophobicContact CG1-CG1 4.03Å; I75-I163 HydrophobicContact CG1-CG2 4.27Å
76	S	95.9	Very high	84.1	Confident	10 Å²	10	39.3 Å²	39.3	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	173.5	-73.1	0	0	0	0	110.9	I69 D99	I69-S76 PolarHBondContact N-O 2.9Å; I69-S76 PolarHBondContact O-N 3.26Å; S76-D99 WeakPolarHBondContact CA-OD1 3.26Å; S76-D99 WeakPolarHBondContact CB-OD1 3.41Å; S76-D99 PolarHBondContact OG-OD1 3.2Å; S76-D99 PolarHBondContact OG-OD2 2.83Å
77	F	94.8	Very high	82.2	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.4	169.1	178.3	-99.9	0	0	0	109.1	V51 K53 L64 K67 L68 T79 H98 F146	V51-F77 HydrophobicContact CB-CE2 4.28Å; V51-F77 HydrophobicContact CG1-CE2 4.39Å; K53-F77 HydrophobicContact CB-CD1 4.07Å; K53-F77 HydrophobicContact CB-CD2 4.4Å; K53-F77 HydrophobicContact CB-CE1 3.65Å; K53-F77 HydrophobicContact CB-CE2 4Å; K53-F77 HydrophobicContact CB-CG 4.42Å; K53-F77 HydrophobicContact CB-CZ 3.61Å; K53-F77 HydrophobicContact CD-CD1 3.66Å; K53-F77 HydrophobicContact CD-CE1 3.94Å; K53-F77 HydrophobicContact CD-CG 4.2Å; K53-F77 HydrophobicContact CG-CD1 4.48Å; K53-F77 HydrophobicContact CG-CE1 4.45Å; L64-F77 HydrophobicContact CB-CE1 3.81Å; L64-F77 HydrophobicContact CB-CZ 4.15Å; L64-F77 WeakPolarHBondContact O-CZ 3.45Å; K67-F77 WeakPolarHBondContact O-CA 3.21Å; L68-F77 HydrophobicContact CD1-CB 4.39Å; F77-T79 HydrophobicContact CE1-CG2 4.11Å; F77-H98 HydrophobicContact CB-CB 3.97Å; F77-H98 HydrophobicContact CD1-CB 4.27Å; 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 4.11Å; F77-F146 AromaticContact CD2-CE1 3.54Å; F77-F146 HydrophobicContact CD2-CE1 3.54Å; F77-F146 HydrophobicContact CD2-CZ 4.47Å; F77-F146 HydrophobicContact CE2-CD1 4.44Å; F77-F146 HydrophobicContact CE2-CE1 4.21Å; F77-F146 AromaticContact CG-CE1 3.71Å; F77-F146 HydrophobicContact CG-CE1 3.71Å; F77-F146 HydrophobicContact CG-CZ 4.38Å
78	I	91.8	Very high	80.3	Confident	38 Å²	38	53 Å²	53	20%	0.195	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	-175.8	-44.5	179.7	0	0	0	108	L34 P36 G66 K67 I69	L34-I78 HydrophobicContact CB-CB 4.43Å; L34-I78 HydrophobicContact CB-CG2 4.18Å; L34-I78 HydrophobicContact CD2-CG2 3.9Å; P36-I78 HydrophobicContact CB-CD1 4.02Å; G66-I78 CarbonylContact C-O 3.19Å; G66-I78 WeakPolarHBondContact CA-O 3.35Å; K67-I78 PolarHBondContact N-O 2.62Å; K67-I78 PolarHBondContact O-N 3.1Å; I69-I78 HydrophobicContact CD1-CD1 3.64Å; I69-I78 HydrophobicContact CD1-CG1 4.36Å
79	T	89.1	Confident	78.8	Confident	31 Å²	31	61.3 Å²	61.3	19%	0.19	32%	0.315	C	S	.	.			trans	-135	148.5	179.7	-179.1	0	0	0	0	109.8	L64 W65 F77 D81	L64-T79 HydrophobicContact CB-CG2 4.5Å; L64-T79 HydrophobicContact CD1-CG2 4.31Å; W65-T79 VanDerWaalsContact O-CB 3.24Å; W65-T79 WeakPolarHBondContact O-CB 3.32Å; W65-T79 PolarHBondContact O-OG1 2.6Å; F77-T79 HydrophobicContact CE1-CG2 4.11Å; T79-D81 WeakPolarHBondContact OG1-CB 3.41Å; T79-D81 PolarHBondContact OG1-N 2.75Å
80	D	80.3	Confident	77.7	Confident	86 Å²	86	64.7 Å²	64.7	46%	0.46	33%	0.328	S	S	.	.			trans	-93.2	-7.1	169.3	-81.7	-33.6	0	0	0	111.7	L34 P82	L34-D80 HydrophobicContact CD2-CB 4.33Å; L34-D80 VanDerWaalsContact CD2-CG 3.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.47Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.3Å; D80-P82 WeakPolarHBondContact O-CD 3.34Å
81	D	71.8	Confident	76.9	Confident	68 Å²	68	73.4 Å²	73.4	36%	0.364	36%	0.361	S	S	.	.	S	Bend	trans	-68.1	120.6	-176.2	-67	-29	0	0	0	109.7	L64 W65 T79 M83	L64-D81 HydrophobicContact CD2-CB 4.03Å; W65-D81 PolarHBondContact N-OD2 2.9Å; T79-D81 WeakPolarHBondContact OG1-CB 3.41Å; T79-D81 PolarHBondContact OG1-N 2.75Å; D81-M83 PolarHBondContact O-N 3.42Å
82	P	63	Low	76.5	Confident	117 Å²	117	74.6 Å²	74.6	76%	0.76	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-67.2	125.9	179.7	26.4	-32.1	0	0	0	109.6	D80 P84	D80-P82 WeakPolarHBondContact O-CD 3.34Å; P82-P84 VanDerWaalsContact O-CD 3.25Å; P82-P84 WeakPolarHBondContact O-CD 3.15Å
83	M	62.6	Low	76.3	Confident	60 Å²	60	77.7 Å²	77.7	30%	0.296	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-78.2	119.5	-178.7	-126.6	171.8	57.3	0	0	111.1	L64 D81 Q86 F88 E97	L64-M83 HydrophobicContact CD1-SD 4.44Å; D81-M83 PolarHBondContact O-N 3.42Å; M83-Q86 HydrophobicContact CE-CB 3.12Å; M83-Q86 HydrophobicContact CE-CG 4.44Å; M83-Q86 WeakPolarHBondContact CE-O 3.43Å; M83-F88 HydrophobicContact CE-CE2 4.34Å; M83-E97 WeakPolarHBondContact CE-OE1 3.49Å
84	P	52.8	Low	76.1	Confident	111 Å²	111	78.3 Å²	78.3	72%	0.721	39%	0.387	S	S	*	.	S	Bend	trans	-84.3	-16.7	-179.5	-2.1	19.5	0	0	0	113.4	P82	P82-P84 VanDerWaalsContact O-CD 3.25Å; P82-P84 WeakPolarHBondContact O-CD 3.15Å
85	L	51.8	Low	75.8	Confident	123 Å²	123	79.1 Å²	79.1	64%	0.644	39%	0.391	S	S	*	.	S	Bend	trans	-128	-11.8	-155.7	-70.7	166.5	0	0	0	117.5	Y62	Y62-L85 HydrophobicContact CD1-CD1 3.78Å; Y62-L85 HydrophobicContact CE1-CD1 3.72Å
86	Q	49.1	Very low	75.4	Confident	109 Å²	109	80.4 Å²	80.4	51%	0.509	41%	0.405	S	S	.	.			trans	-129.3	102.6	179.6	-120.6	173.4	-8.6	0	0	109.5	M83 F88	M83-Q86 HydrophobicContact CE-CB 3.12Å; M83-Q86 HydrophobicContact CE-CG 4.44Å; M83-Q86 WeakPolarHBondContact CE-O 3.43Å; Q86-F88 HydrophobicContact CB-CE2 4.36Å; Q86-F88 HydrophobicContact CG-CE2 4.49Å; Q86-F88 HydrophobicContact CG-CZ 4.43Å
87	K	52.3	Low	74.9	Confident	203 Å²	203	84.6 Å²	84.6	88%	0.883	42%	0.424	S	S	*	.			trans	-94.2	104.9	161.7	-78	-178.6	179.3	174	0	107	H89	K87-H89 PolarHBondContact O-N 3.01Å
88	F	55.5	Low	74.6	Confident	110 Å²	110	85.2 Å²	85.2	48%	0.482	43%	0.427	S	S	.	.			trans	-60.8	135.2	169	-68.6	-84.8	0	0	0	109.2	M83 Q86 Y90 E97	M83-F88 HydrophobicContact CE-CE2 4.34Å; Q86-F88 HydrophobicContact CB-CE2 4.36Å; Q86-F88 HydrophobicContact CG-CE2 4.49Å; Q86-F88 HydrophobicContact CG-CZ 4.43Å; F88-Y90 WeakPolarHBondContact CB-O 3.3Å; F88-Y90 PolarHBondContact O-N 2.93Å; F88-E97 HydrophobicContact CD2-CG 3.66Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.33Å; F88-E97 HydrophobicContact CE2-CG 3.38Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.29Å; F88-E97 HydrophobicContact CZ-CG 4.32Å
89	H	65.6	Low	74.7	Confident	173 Å²	173	84 Å²	84	80%	0.801	42%	0.421	S	S	*	.	S	Bend	trans	-65.8	-19.6	-179.9	-71.3	124.5	0	0	0	112.7	K87 L553	K87-H89 PolarHBondContact O-N 3.01Å; H89-L553 HydrophobicContact CB-CD1 4.43Å; H89-L553 WeakPolarHBondContact O-CD1 2.95Å
90	Y	73.7	Confident	75	Confident	74 Å²	74	82.8 Å²	82.8	29%	0.29	41%	0.413	S	S	.	.	S	Bend	trans	-147.2	160.5	176.8	60.3	-93	0	0	0	111.8	F88 T488 V492 F546 D550 L553	F88-Y90 WeakPolarHBondContact CB-O 3.3Å; F88-Y90 PolarHBondContact O-N 2.93Å; Y90-T488 HydrophobicContact CD1-CG2 4.15Å; Y90-T488 HydrophobicContact CE1-CG2 3.9Å; Y90-V492 HydrophobicContact CE1-CG2 4.4Å; Y90-V492 HydrophobicContact CE2-CG2 3.92Å; Y90-F546 HydrophobicContact CD2-CD1 4.08Å; Y90-F546 AromaticContact CD2-CE1 3.54Å; Y90-F546 HydrophobicContact CD2-CE1 3.54Å; Y90-F546 HydrophobicContact CD2-CZ 4.44Å; Y90-F546 AromaticContact CE2-CE1 3.82Å; Y90-F546 HydrophobicContact CE2-CE1 3.82Å; Y90-F546 HydrophobicContact CE2-CZ 4.33Å; Y90-D550 WeakPolarHBondContact CA-OD1 3.44Å; Y90-L553 HydrophobicContact CD1-CD1 4.22Å
91	R	82	Confident	75.8	Confident	183 Å²	183	78.9 Å²	78.9	69%	0.691	39%	0.392	S	S	*	.			trans	-123.6	126.7	178.2	-177.5	175.6	175.6	176	1.4	111.4
92	N	88.8	Confident	77	Confident	27 Å²	27	76 Å²	76	14%	0.144	38%	0.377	C	S	.	.			trans	-74	138.8	171.3	-167	-66.7	0	0	0	110.1	L94 L95 Q545 F546	N92-L94 WeakPolarHBondContact OD1-CA 3.29Å; N92-L94 WeakPolarHBondContact OD1-CB 3.3Å; N92-L94 PolarHBondContact OD1-N 3.39Å; N92-L95 HydrophobicContact CB-CB 4.3Å; N92-L95 PolarHBondContact OD1-N 3.06Å; N92-Q545 CarbonylContact C-O 3.6Å; N92-Q545 WeakPolarHBondContact CA-O 3.45Å; N92-F546 HydrophobicContact CB-CE1 3.97Å; N92-F546 HydrophobicContact CB-CZ 4.47Å
93	L	91.3	Very high	78.5	Confident	91 Å²	91	70.6 Å²	70.6	48%	0.476	34%	0.342	S	S	.	.	S	Bend	trans	-85.7	-21.6	-179	-63.4	177.6	0	0	0	113	Q545 T547	L93-Q545 PolarHBondContact N-O 3.08Å; L93-T547 HydrophobicContact CD2-CG2 4.02Å
94	L	91.8	Very high	80.1	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.073	33%	0.328	C	S	.	.	S	Bend	trans	-90.8	-30.8	178.3	-55.2	177.2	0	0	0	112.3	L39 K74 N92 L501 F502 L544 Q545	L39-L94 HydrophobicContact CD1-CB 4.29Å; L39-L94 HydrophobicContact CD1-CD2 4.04Å; L39-L94 HydrophobicContact CD2-CD2 4Å; K74-L94 PolarHBondContact NZ-O 3.03Å; K74-L94 VanDerWaalsContact NZ-O 3.07Å; N92-L94 WeakPolarHBondContact OD1-CA 3.29Å; N92-L94 WeakPolarHBondContact OD1-CB 3.3Å; N92-L94 PolarHBondContact OD1-N 3.39Å; L94-L501 HydrophobicContact CD1-CD1 4.4Å; L94-L501 HydrophobicContact CD1-CD2 4.39Å; L94-F502 HydrophobicContact CD1-CE2 3.98Å; L94-F502 HydrophobicContact CD1-CZ 3.59Å; L94-L544 WeakPolarHBondContact CD2-O 3.36Å; L94-L544 WeakPolarHBondContact CG-O 3.46Å; L94-Q545 HydrophobicContact CD1-CG 4.01Å
95	L	91.5	Very high	82.2	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.126	29%	0.294	C	S	.	.	S	Bend	trans	-120.2	125.8	-176.2	-60	175.2	0	0	0	110.1	F73 K74 N92 D99 P101 I499	F73-L95 HydrophobicContact CE1-CD2 3.75Å; F73-L95 HydrophobicContact CZ-CD2 3.93Å; K74-L95 HydrophobicContact CB-CD2 4.48Å; K74-L95 HydrophobicContact CD-CD2 3.76Å; N92-L95 HydrophobicContact CB-CB 4.3Å; N92-L95 PolarHBondContact OD1-N 3.06Å; L95-D99 HydrophobicContact CB-CB 4.12Å; L95-D99 HydrophobicContact CD2-CB 4.19Å; L95-P101 HydrophobicContact CD1-CG 3.53Å; L95-P101 HydrophobicContact CD2-CG 3.96Å; L95-P101 HydrophobicContact CG-CG 4.41Å; L95-I499 HydrophobicContact CD1-CD1 3.9Å; L95-I499 HydrophobicContact CD1-CG1 4.12Å
96	G	88.6	Confident	84.1	Confident	30 Å²	30	59.7 Å²	59.7	31%	0.309	28%	0.277	S	S	.	.			trans	-64.8	165.9	166.8	0	0	0	0	0	111.9	H98 D99	G96-H98 PolarHBondContact O-N 3.31Å; G96-H98 VanDerWaalsContact O-N 3.11Å; G96-D99 WeakPolarHBondContact CA-OD2 3.47Å; G96-D99 VanDerWaalsContact N-CG 3.26Å; G96-D99 PolarHBondContact N-OD2 3.31Å; G96-D99 WeakPolarHBondContact O-CB 3.36Å; G96-D99 PolarHBondContact O-N 3.1Å
97	E	84.7	Confident	86.2	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.453	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.4	-173	-172.9	171	174.5	0	0	114.5	M83 F88	M83-E97 WeakPolarHBondContact CE-OE1 3.49Å; F88-E97 HydrophobicContact CD2-CG 3.66Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.33Å; F88-E97 HydrophobicContact CE2-CG 3.38Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.29Å; F88-E97 HydrophobicContact CZ-CG 4.32Å
98	H	89.3	Confident	88.3	Confident	21 Å²	21	48.8 Å²	48.8	10%	0.097	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	10.3	179.3	-57.5	-33.9	0	0	0	112.8	K53 F77 G96	K53-H98 PolarHBondContact NZ-ND1 3.04Å; F77-H98 HydrophobicContact CB-CB 3.97Å; F77-H98 HydrophobicContact CD1-CB 4.27Å; F77-H98 AromaticContact CD1-CD2 3.76Å; G96-H98 PolarHBondContact O-N 3.31Å; G96-H98 VanDerWaalsContact O-N 3.11Å
99	D	93.8	Very high	90.2	Very high	12 Å²	12	44 Å²	44	6%	0.064	21%	0.21	C	C	.	.			trans	-76	144.8	-179.4	-70.3	-4.2	0	0	0	110.8	K74 I75 S76 L95 G96 R142	K74-D99 HydrophobicContact CD-CB 4.08Å; K74-D99 VanDerWaalsContact CD-OD2 3.31Å; K74-D99 WeakPolarHBondContact CD-OD2 3.48Å; K74-D99 VanDerWaalsContact CE-OD2 3.29Å; K74-D99 WeakPolarHBondContact CE-OD2 3.38Å; K74-D99 IonicContact NZ-OD2 3.85Å; K74-D99 PolarHBondContact NZ-OD2 3.29Å; I75-D99 CarbonylContact O-C 3.5Å; I75-D99 WeakPolarHBondContact O-CA 3.47Å; S76-D99 WeakPolarHBondContact CA-OD1 3.26Å; S76-D99 WeakPolarHBondContact CB-OD1 3.41Å; S76-D99 PolarHBondContact OG-OD1 3.2Å; S76-D99 PolarHBondContact OG-OD2 2.83Å; L95-D99 HydrophobicContact CB-CB 4.12Å; L95-D99 HydrophobicContact CD2-CB 4.19Å; G96-D99 WeakPolarHBondContact CA-OD2 3.47Å; G96-D99 VanDerWaalsContact N-CG 3.26Å; G96-D99 PolarHBondContact N-OD2 3.31Å; G96-D99 WeakPolarHBondContact O-CB 3.36Å; G96-D99 PolarHBondContact O-N 3.1Å; D99-R142 PolarHBondContact O-NH1 3.41Å
100	V	95.8	Very high	91.7	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.8	173.7	-178.1	0	0	0	0	108	K74 I75 L102 C104 I105 V144	K74-V100 CarbonylContact C-O 3.55Å; K74-V100 WeakPolarHBondContact CA-O 2.98Å; K74-V100 WeakPolarHBondContact CB-O 3.43Å; I75-V100 PolarHBondContact N-O 3.05Å; I75-V100 PolarHBondContact O-N 3.25Å; V100-L102 PolarHBondContact O-N 3.1Å; V100-C104 HydrophobicContact CG1-CB 4.15Å; V100-I105 HydrophobicContact CG1-CG1 4.05Å; V100-V144 HydrophobicContact CG2-CG2 4.19Å
101	P	96.4	Very high	92.7	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	138.9	172.3	-24.6	34.1	0	0	0	110.7	L95 T103 C104 I499	L95-P101 HydrophobicContact CD1-CG 3.53Å; L95-P101 HydrophobicContact CD2-CG 3.96Å; L95-P101 HydrophobicContact CG-CG 4.41Å; P101-T103 PolarHBondContact O-N 2.83Å; P101-C104 HydrophobicContact CB-CB 4.23Å; P101-C104 WeakPolarHBondContact O-CA 3.3Å; P101-C104 WeakPolarHBondContact O-CB 3.48Å; P101-C104 PolarHBondContact O-N 2.72Å; P101-I499 HydrophobicContact CG-CG1 4.42Å
102	L	96.5	Very high	93.3	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.042	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-58.9	-34.3	-178.2	-73.3	173.4	0	0	0	112.5	F73 I75 V100 C104 I105	F73-L102 WeakPolarHBondContact O-CB 3.25Å; F73-L102 WeakPolarHBondContact O-CG 3.25Å; F73-L102 PolarHBondContact O-N 3.23Å; I75-L102 HydrophobicContact CG1-CD2 4.15Å; V100-L102 PolarHBondContact O-N 3.1Å; L102-C104 PolarHBondContact O-N 2.98Å; L102-I105 HydrophobicContact CD2-CD1 3.82Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.24Å
103	T	95.6	Very high	93.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-68.2	-17.9	176	32.5	0	0	0	0	114.3	P101 K139 L175 H454 R498 S500	P101-T103 PolarHBondContact O-N 2.83Å; T103-K139 PolarHBondContact O-NZ 3.15Å; T103-L175 HydrophobicContact CG2-CD2 3.7Å; T103-H454 HydrophobicContact CG2-CB 3.89Å; T103-R498 PolarHBondContact OG1-O 2.94Å; T103-S500 PolarHBondContact OG1-OG 2.67Å
104	C	96	Very high	93.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-82.1	-23.6	174.8	-170.6	0	0	0	0	112.5	V100 P101 L102 E106 C138 K139 D140 R498	V100-C104 HydrophobicContact CG1-CB 4.15Å; P101-C104 HydrophobicContact CB-CB 4.23Å; P101-C104 WeakPolarHBondContact O-CA 3.3Å; P101-C104 WeakPolarHBondContact O-CB 3.48Å; P101-C104 PolarHBondContact O-N 2.72Å; L102-C104 PolarHBondContact O-N 2.98Å; C104-E106 PolarHBondContact O-N 3.06Å; C104-C138 CarbonylContact O-C 3.44Å; C104-C138 WeakPolarHBondContact O-CA 3.41Å; C104-K139 WeakPolarHBondContact O-CG 3.42Å; C104-K139 PolarHBondContact O-N 3.46Å; C104-D140 VanDerWaalsContact SG-CG 3.51Å; C104-D140 PolarHBondContact SG-OD2 3.27Å; C104-D140 VanDerWaalsContact SG-OD2 3.35Å; C104-R498 HydrophobicContact CB-CB 4.23Å; C104-R498 WeakPolarHBondContact SG-CD 3.49Å
105	I	95.6	Very high	93.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	122.7	179.1	-62.1	169.2	0	0	0	108.7	I75 V100 L102 I108 I136 I163 K456	I75-I105 HydrophobicContact CD1-CD1 3.42Å; I75-I105 VanDerWaalsContact CD1-CD1 3.42Å; I75-I105 HydrophobicContact CD1-CG1 4.36Å; I75-I105 HydrophobicContact CG1-CD1 4.02Å; V100-I105 HydrophobicContact CG1-CG1 4.05Å; L102-I105 HydrophobicContact CD2-CD1 3.82Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.24Å; I105-I108 HydrophobicContact CG2-CD1 3.91Å; I105-I108 HydrophobicContact CG2-CG1 3.56Å; I105-I136 HydrophobicContact CB-CG2 4.45Å; I105-I136 HydrophobicContact CG1-CG2 3.99Å; I105-I136 HydrophobicContact CG2-CG2 4.05Å; I105-I163 HydrophobicContact CD1-CG2 3.93Å; I105-K456 WeakPolarHBondContact O-CE 3.49Å; I105-K456 PolarHBondContact O-NZ 3Å
106	E	92.6	Very high	93.2	Very high	64 Å²	64	45.8 Å²	45.8	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-54.1	176.5	-174.2	176.1	166.8	0	0	111.4	C104 Y137 K139 K352	C104-E106 PolarHBondContact O-N 3.06Å; E106-Y137 WeakPolarHBondContact CA-O 3.13Å; E106-Y137 WeakPolarHBondContact CB-O 3.35Å; E106-Y137 PolarHBondContact N-O 3.07Å; E106-K139 HydrophobicContact CB-CG 4.05Å; E106-K352 IonicContact OE1-NZ 2.62Å; E106-K352 PolarHBondContact OE1-NZ 2.99Å; E106-K352 IonicContact OE2-NZ 2.79Å; E106-K352 PolarHBondContact OE2-NZ 3.07Å
107	Q	93.4	Very high	93.4	Very high	80 Å²	80	50 Å²	50	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.7	-175.9	-174.6	179.3	-63.5	0	0	110.2	V109 V120 Y137	Q107-V109 HydrophobicContact CG-CG2 4.25Å; Q107-V120 HydrophobicContact CG-CG1 3.77Å; Q107-Y137 HydrophobicContact CB-CD2 4.19Å; Q107-Y137 HydrophobicContact CG-CD2 4.46Å; Q107-Y137 PolarHBondContact N-O 2.98Å; Q107-Y137 PolarHBondContact O-N 3.35Å
108	I	95.4	Very high	93.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	178.7	-60.8	159.4	0	0	0	107.5	I105 V120 L121 L134 I163 A164 S167	I105-I108 HydrophobicContact CG2-CD1 3.91Å; I105-I108 HydrophobicContact CG2-CG1 3.56Å; I108-V120 CarbonylContact O-C 3.52Å; I108-V120 WeakPolarHBondContact O-CA 3.19Å; I108-L121 HydrophobicContact CB-CB 4.42Å; I108-L121 HydrophobicContact CG2-CB 4.11Å; I108-L121 PolarHBondContact O-N 3.13Å; I108-L134 HydrophobicContact CG2-CD1 3.53Å; I108-I163 HydrophobicContact CD1-CG2 3.71Å; I108-I163 HydrophobicContact CG1-CG2 4.33Å; I108-A164 VanDerWaalsContact CD1-CA 3.46Å; I108-A164 HydrophobicContact CD1-CB 3.89Å; I108-S167 WeakPolarHBondContact CD1-OG 3.49Å
109	V	96	Very high	94.1	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.9	176.1	-176.3	0	0	0	0	108.7	Q107 V111 V120 I135 Y137	Q107-V109 HydrophobicContact CG-CG2 4.25Å; V109-V111 HydrophobicContact CG1-CG2 4.21Å; V109-V120 HydrophobicContact CG2-CG2 4.18Å; V109-I135 HydrophobicContact CB-CB 4.24Å; V109-I135 PolarHBondContact N-O 3.45Å; V109-I135 PolarHBondContact O-N 2.82Å; V109-Y137 HydrophobicContact CB-CE2 4.5Å; V109-Y137 HydrophobicContact CG2-CD2 4.26Å; V109-Y137 HydrophobicContact CG2-CE2 3.77Å
110	T	96.5	Very high	94.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134	174.2	51.8	0	0	0	0	109	Q118 K119 L121 L127 P131 L134 C160	T110-Q118 CarbonylContact O-C 3.6Å; T110-Q118 VanDerWaalsContact O-CA 3.32Å; T110-Q118 WeakPolarHBondContact O-CA 3.31Å; T110-K119 PolarHBondContact N-O 3.28Å; T110-K119 PolarHBondContact O-N 3.06Å; T110-K119 PolarHBondContact OG1-O 3.01Å; T110-K119 VanDerWaalsContact OG1-O 3.11Å; T110-L121 HydrophobicContact CG2-CD2 4.06Å; T110-L127 HydrophobicContact CG2-CD2 4.28Å; T110-L127 WeakPolarHBondContact OG1-CD1 3.47Å; T110-P131 HydrophobicContact CG2-CB 4.47Å; T110-L134 HydrophobicContact CG2-CD1 4.35Å; T110-C160 HydrophobicContact CG2-CB 3.97Å
111	V	95.8	Very high	93.9	Very high	17 Å²	17	58 Å²	58	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.5	-178	-175.6	0	0	0	0	109.1	V109 D113 K117 Q118 P131 T132 E133 I135	V109-V111 HydrophobicContact CG1-CG2 4.21Å; V111-D113 WeakPolarHBondContact CG1-OD1 2.98Å; V111-K117 CarbonylContact C-O 3.53Å; V111-K117 WeakPolarHBondContact CA-O 3.21Å; V111-Q118 HydrophobicContact CG2-CB 4.15Å; V111-P131 CarbonylContact O-C 3.51Å; V111-P131 VanDerWaalsContact O-CA 3.32Å; V111-P131 WeakPolarHBondContact O-CA 3.49Å; V111-T132 PolarHBondContact O-N 3.49Å; V111-T132 PolarHBondContact O-OG1 2.84Å; V111-E133 HydrophobicContact CB-CB 4.2Å; V111-E133 PolarHBondContact N-O 2.88Å; V111-E133 PolarHBondContact O-N 2.79Å; V111-I135 HydrophobicContact CG2-CD1 4.18Å
112	N	94.8	Very high	93.4	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105	165.2	179.6	-52.6	0	0	0	108	H114 K115 R116 K117 F129 N130 T132	N112-H114 PolarHBondContact OD1-N 3.44Å; N112-K115 HydrophobicContact CB-CB 4.49Å; N112-K115 PolarHBondContact O-N 3.17Å; N112-K115 WeakPolarHBondContact OD1-CB 3.44Å; N112-K115 PolarHBondContact OD1-N 3.21Å; N112-R116 WeakPolarHBondContact O-CA 3.41Å; N112-R116 PolarHBondContact O-N 3.29Å; N112-K117 PolarHBondContact N-O 3.24Å; N112-K117 PolarHBondContact O-N 2.85Å; N112-F129 HydrophobicContact CB-CD2 3.45Å; N112-F129 VanDerWaalsContact CB-CD2 3.45Å; N112-F129 HydrophobicContact CB-CE2 3.75Å; N112-F129 HydrophobicContact CB-CG 4.11Å; N112-N130 PolarHBondContact ND2-O 3.47Å; N112-T132 WeakPolarHBondContact CA-OG1 3.36Å
113	D	89.4	Confident	92.7	Very high	62 Å²	62	60.4 Å²	60.4	33%	0.332	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-42.1	-174.8	-64.2	-43.6	0	0	0	111.6	V111 K115 R116 T132 R147	V111-D113 WeakPolarHBondContact CG1-OD1 2.98Å; D113-K115 VanDerWaalsContact C-N 3.27Å; D113-K115 PolarHBondContact O-N 3.45Å; D113-R116 PolarHBondContact O-N 2.89Å; D113-R116 VanDerWaalsContact O-N 3.09Å; D113-T132 PolarHBondContact N-OG1 2.73Å; D113-T132 PolarHBondContact OD2-OG1 3.11Å; D113-R147 IonicContact OD2-CZ 3.63Å; D113-R147 IonicContact OD2-NH2 2.71Å; D113-R147 PolarHBondContact OD2-NH2 3.35Å
114	H	90.3	Very high	91.9	Very high	168 Å²	168	66.5 Å²	66.5	78%	0.778	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.6	179.9	-54.5	-60.1	0	0	0	112.9	N112	N112-H114 PolarHBondContact OD1-N 3.44Å
115	K	89.9	Confident	91.5	Very high	130 Å²	130	70.2 Å²	70.2	57%	0.565	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.5	179.3	-65.3	-173.6	176.6	-177.6	0	112.9	N112 D113 K117	N112-K115 HydrophobicContact CB-CB 4.49Å; N112-K115 PolarHBondContact O-N 3.17Å; N112-K115 WeakPolarHBondContact OD1-CB 3.44Å; N112-K115 PolarHBondContact OD1-N 3.21Å; D113-K115 VanDerWaalsContact C-N 3.27Å; D113-K115 PolarHBondContact O-N 3.45Å; K115-K117 HydrophobicContact CB-CD 4.32Å; K115-K117 HydrophobicContact CB-CG 4.12Å; K115-K117 WeakPolarHBondContact O-CG 3.23Å; K115-K117 PolarHBondContact O-N 2.98Å
116	R	90.9	Very high	91.1	Very high	235 Å²	235	78.6 Å²	78.6	89%	0.887	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	45.6	-171.7	-59.6	-176.5	179.4	-175.4	-1	112.2	N112 D113	N112-R116 WeakPolarHBondContact O-CA 3.41Å; N112-R116 PolarHBondContact O-N 3.29Å; D113-R116 PolarHBondContact O-N 2.89Å; D113-R116 VanDerWaalsContact O-N 3.09Å
117	K	92.8	Very high	91	Very high	118 Å²	118	75.8 Å²	75.8	51%	0.513	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.3	179.1	-70.2	-172.5	-178.4	-173.9	0	109.8	V111 N112 K115 F129	V111-K117 CarbonylContact C-O 3.53Å; V111-K117 WeakPolarHBondContact CA-O 3.21Å; N112-K117 PolarHBondContact N-O 3.24Å; N112-K117 PolarHBondContact O-N 2.85Å; K115-K117 HydrophobicContact CB-CD 4.32Å; K115-K117 HydrophobicContact CB-CG 4.12Å; K115-K117 WeakPolarHBondContact O-CG 3.23Å; K115-K117 PolarHBondContact O-N 2.98Å; K117-F129 HydrophobicContact CB-CD1 4.21Å; K117-F129 HydrophobicContact CB-CE1 4.08Å; K117-F129 HydrophobicContact CD-CD1 4.41Å
118	Q	94.5	Very high	90.9	Very high	156 Å²	156	81.3 Å²	81.3	73%	0.729	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.8	168.1	64.7	179.7	2.6	0	0	109.8	T110 V111	T110-Q118 CarbonylContact O-C 3.6Å; T110-Q118 VanDerWaalsContact O-CA 3.32Å; T110-Q118 WeakPolarHBondContact O-CA 3.31Å; V111-Q118 HydrophobicContact CG2-CB 4.15Å
119	K	94.4	Very high	90.8	Very high	64 Å²	64	81.9 Å²	81.9	28%	0.278	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	124.7	177	178.6	170.6	176.6	177.9	0	110.5	T110 L121 K126 L127 F129	T110-K119 PolarHBondContact N-O 3.28Å; T110-K119 PolarHBondContact O-N 3.06Å; T110-K119 PolarHBondContact OG1-O 3.01Å; T110-K119 VanDerWaalsContact OG1-O 3.11Å; K119-L121 PolarHBondContact O-N 2.73Å; K119-K126 PolarHBondContact NZ-O 3.39Å; K119-L127 HydrophobicContact CD-CD1 4.2Å; K119-F129 HydrophobicContact CB-CE1 4.06Å; K119-F129 HydrophobicContact CB-CZ 4.12Å
120	V	94.6	Very high	90.7	Very high	82 Å²	82	84.7 Å²	84.7	50%	0.497	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	122.4	162.3	-177.7	0	0	0	0	108	Q107 I108 V109 Q125	Q107-V120 HydrophobicContact CG-CG1 3.77Å; I108-V120 CarbonylContact O-C 3.52Å; I108-V120 WeakPolarHBondContact O-CA 3.19Å; V109-V120 HydrophobicContact CG2-CG2 4.18Å; V120-Q125 PolarHBondContact O-OE1 3.01Å
121	L	90.9	Very high	90.6	Very high	3 Å²	3	84.9 Å²	84.9	2%	0.016	40%	0.399	C	S	.	.			trans	-100.5	113.6	-173.5	-163.3	64.9	0	0	0	110.1	I108 T110 K119 Q125 L127 C160 L161 A164	I108-L121 HydrophobicContact CB-CB 4.42Å; I108-L121 HydrophobicContact CG2-CB 4.11Å; I108-L121 PolarHBondContact O-N 3.13Å; T110-L121 HydrophobicContact CG2-CD2 4.06Å; K119-L121 PolarHBondContact O-N 2.73Å; L121-Q125 HydrophobicContact CD1-CB 4.18Å; L121-L127 HydrophobicContact CD1-CD1 4.43Å; L121-C160 HydrophobicContact CD2-CB 4.2Å; L121-C160 WeakPolarHBondContact CD2-O 3.28Å; L121-L161 HydrophobicContact CD1-CD2 4.22Å; L121-L161 HydrophobicContact CD2-CD2 4.26Å; L121-A164 HydrophobicContact CB-CB 4.22Å; L121-A164 HydrophobicContact CD2-CB 3.66Å; L121-A164 HydrophobicContact CG-CB 3.64Å
122	G	86	Confident	90.7	Very high	11 Å²	11	84.9 Å²	84.9	11%	0.113	40%	0.399	C	S	.	.			trans	-97.8	178.6	171.1	0	0	0	0	0	113	Q125	G122-Q125 WeakPolarHBondContact O-CB 3.48Å; G122-Q125 PolarHBondContact O-N 3.08Å
123	P	80.6	Confident	90.7	Very high	50 Å²	50	85.4 Å²	85.4	33%	0.325	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	145.4	-178.3	29.6	-31.1	0	0	0	109.6	Q125 Q168	P123-Q125 PolarHBondContact O-N 3.11Å; P123-Q168 HydrophobicContact CB-CB 4.2Å; P123-Q168 HydrophobicContact CG-CB 4.23Å; P123-Q168 VanDerWaalsContact CG-OE1 3.3Å
124	N	80.1	Confident	91.1	Very high	132 Å²	132	82.5 Å²	82.5	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	13.3	178.9	-57.7	-40	0	0	0	115.4
125	Q	86.8	Confident	91.3	Very high	78 Å²	78	75.3 Å²	75.3	36%	0.364	35%	0.352	S	S	.	.			trans	-81.8	138.2	177.3	-67.4	-168.6	0.3	0	0	111.5	V120 L121 G122 P123 L161	V120-Q125 PolarHBondContact O-OE1 3.01Å; L121-Q125 HydrophobicContact CD1-CB 4.18Å; G122-Q125 WeakPolarHBondContact O-CB 3.48Å; G122-Q125 PolarHBondContact O-N 3.08Å; P123-Q125 PolarHBondContact O-N 3.11Å; Q125-L161 WeakPolarHBondContact O-CD2 3.22Å
126	K	87.8	Confident	91.6	Very high	177 Å²	177	69.1 Å²	69.1	77%	0.77	33%	0.326	S	S	*	.			trans	-77.1	136.9	171.7	-59.8	-174.7	-177.8	-178.6	0	110.7	K119	K119-K126 PolarHBondContact NZ-O 3.39Å
127	L	90.4	Very high	91.7	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	30%	0.297	C	S	.	.			trans	-97.9	115.7	169.3	-167.3	61.4	0	0	0	109.5	T110 K119 L121 F129 P131 K157 L161	T110-L127 HydrophobicContact CG2-CD2 4.28Å; T110-L127 WeakPolarHBondContact OG1-CD1 3.47Å; K119-L127 HydrophobicContact CD-CD1 4.2Å; L121-L127 HydrophobicContact CD1-CD1 4.43Å; L127-F129 VanDerWaalsContact C-N 3.31Å; L127-F129 HydrophobicContact CD1-CD1 4.19Å; L127-F129 HydrophobicContact CD1-CD2 4.34Å; L127-F129 HydrophobicContact CD1-CE1 3.76Å; L127-F129 HydrophobicContact CD1-CE2 3.95Å; L127-F129 HydrophobicContact CD1-CG 4.48Å; L127-F129 HydrophobicContact CD1-CZ 3.64Å; L127-F129 HydrophobicContact CG-CD2 4.48Å; L127-F129 HydrophobicContact CG-CE2 4.46Å; L127-F129 WeakPolarHBondContact CG-O 3.4Å; L127-P131 HydrophobicContact CD2-CB 4.39Å; L127-P131 HydrophobicContact CD2-CG 4.08Å; L127-K157 HydrophobicContact CD2-CG 4.26Å; L127-K157 WeakPolarHBondContact O-CE 3.43Å; L127-K157 PolarHBondContact O-NZ 3.46Å; L127-L161 HydrophobicContact CB-CD2 4.15Å
128	K	90.4	Very high	91.8	Very high	196 Å²	196	56.1 Å²	56.1	85%	0.852	27%	0.274	S	S	*	.			trans	-88.7	5.4	-174	-65.4	-176.3	179	-179.9	0	113.7
129	F	93.1	Very high	91.7	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.07	24%	0.242	C	C	.	.	S	Bend	trans	-141.4	168.2	178	59.7	-100	0	0	0	109.7	N112 K117 K119 L127	N112-F129 HydrophobicContact CB-CD2 3.45Å; N112-F129 VanDerWaalsContact CB-CD2 3.45Å; N112-F129 HydrophobicContact CB-CE2 3.75Å; N112-F129 HydrophobicContact CB-CG 4.11Å; K117-F129 HydrophobicContact CB-CD1 4.21Å; K117-F129 HydrophobicContact CB-CE1 4.08Å; K117-F129 HydrophobicContact CD-CD1 4.41Å; K119-F129 HydrophobicContact CB-CE1 4.06Å; K119-F129 HydrophobicContact CB-CZ 4.12Å; L127-F129 VanDerWaalsContact C-N 3.31Å; L127-F129 HydrophobicContact CD1-CD1 4.19Å; L127-F129 HydrophobicContact CD1-CD2 4.34Å; L127-F129 HydrophobicContact CD1-CE1 3.76Å; L127-F129 HydrophobicContact CD1-CE2 3.95Å; L127-F129 HydrophobicContact CD1-CG 4.48Å; L127-F129 HydrophobicContact CD1-CZ 3.64Å; L127-F129 HydrophobicContact CG-CD2 4.48Å; L127-F129 HydrophobicContact CG-CE2 4.46Å; L127-F129 WeakPolarHBondContact CG-O 3.4Å
130	N	94.2	Very high	91.5	Very high	68 Å²	68	47.8 Å²	47.8	36%	0.364	24%	0.237	S	C	.	.			trans	-91.4	122.5	172.8	-61.4	-21.6	0	0	0	107.6	N112 P153	N112-N130 PolarHBondContact ND2-O 3.47Å; N130-P153 HydrophobicContact CB-CB 3.89Å
131	P	95.8	Very high	91.3	Very high	5 Å²	5	47 Å²	47	3%	0.032	23%	0.227	C	C	.	.			trans	-69.3	136.3	-177.4	28.8	-32.3	0	0	0	110.3	T110 V111 L127 F148 A156	T110-P131 HydrophobicContact CG2-CB 4.47Å; V111-P131 CarbonylContact O-C 3.51Å; V111-P131 VanDerWaalsContact O-CA 3.32Å; V111-P131 WeakPolarHBondContact O-CA 3.49Å; L127-P131 HydrophobicContact CD2-CB 4.39Å; L127-P131 HydrophobicContact CD2-CG 4.08Å; P131-F148 HydrophobicContact CB-CD2 4.24Å; P131-F148 HydrophobicContact CB-CE2 4.32Å; P131-F148 HydrophobicContact CG-CD2 4.25Å; P131-F148 HydrophobicContact CG-CE2 4.27Å; P131-A156 HydrophobicContact CG-CB 4.25Å
132	T	96.1	Very high	91.2	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.098	24%	0.243	C	C	.	.	S	Bend	trans	-92.2	-24.4	165.8	57.2	0	0	0	0	110.9	V111 N112 D113 R147 F148	V111-T132 PolarHBondContact O-N 3.49Å; V111-T132 PolarHBondContact O-OG1 2.84Å; N112-T132 WeakPolarHBondContact CA-OG1 3.36Å; D113-T132 PolarHBondContact N-OG1 2.73Å; D113-T132 PolarHBondContact OD2-OG1 3.11Å; T132-R147 WeakPolarHBondContact O-CA 3.32Å; T132-F148 PolarHBondContact O-N 3Å
133	E	95.9	Very high	91.4	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.5	179.1	177	-178.8	-162	0	0	111.4	V111 I135 F146 R147	V111-E133 HydrophobicContact CB-CB 4.2Å; V111-E133 PolarHBondContact N-O 2.88Å; V111-E133 PolarHBondContact O-N 2.79Å; E133-I135 HydrophobicContact CG-CG1 3.96Å; E133-F146 CarbonylContact C-O 3.51Å; E133-F146 VanDerWaalsContact CA-O 3.26Å; E133-F146 WeakPolarHBondContact CA-O 3.25Å; E133-F146 WeakPolarHBondContact CG-O 3.31Å; E133-R147 HydrophobicContact CB-CG 4.31Å; E133-R147 HydrophobicContact CG-CG 4.23Å
134	L	96.9	Very high	92	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.4	172	167.8	65.1	0	0	0	108.7	L68 I108 T110 I136 R145 F146 F148 I163	L68-L134 HydrophobicContact CD2-CD2 4Å; I108-L134 HydrophobicContact CG2-CD1 3.53Å; T110-L134 HydrophobicContact CG2-CD1 4.35Å; L134-I136 HydrophobicContact CD1-CG1 4.12Å; L134-I136 HydrophobicContact CD2-CD1 4.04Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CD1 4.17Å; L134-I136 HydrophobicContact CG-CG1 4.09Å; L134-R145 WeakPolarHBondContact O-CA 3.45Å; L134-F146 HydrophobicContact CB-CB 4.34Å; L134-F146 HydrophobicContact CD2-CD2 4.18Å; L134-F146 HydrophobicContact CG-CD2 4.49Å; L134-F146 PolarHBondContact N-O 3.49Å; L134-F146 PolarHBondContact O-N 3.19Å; L134-F148 HydrophobicContact CB-CE2 3.59Å; L134-F148 HydrophobicContact CB-CZ 3.76Å; L134-F148 HydrophobicContact CD2-CZ 4.11Å; L134-I163 HydrophobicContact CD2-CD1 3.86Å
135	I	95.6	Very high	92.7	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	176.1	-50.8	173.4	0	0	0	107.9	V109 V111 E133 Y137 I143 R145	V109-I135 HydrophobicContact CB-CB 4.24Å; V109-I135 PolarHBondContact N-O 3.45Å; V109-I135 PolarHBondContact O-N 2.82Å; V111-I135 HydrophobicContact CG2-CD1 4.18Å; E133-I135 HydrophobicContact CG-CG1 3.96Å; I135-Y137 HydrophobicContact CB-CE2 4.43Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.61Å; I135-I143 HydrophobicContact CG2-CG2 3.78Å; I135-R145 HydrophobicContact CG1-CG 4.28Å; I135-R145 HydrophobicContact CG2-CG 4.2Å
136	I	95.6	Very high	93.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.9	179.3	-63.7	158.8	0	0	0	108.1	I75 I105 L134 I143 V144 F146	I75-I136 HydrophobicContact CD1-CD1 3.52Å; I105-I136 HydrophobicContact CB-CG2 4.45Å; I105-I136 HydrophobicContact CG1-CG2 3.99Å; I105-I136 HydrophobicContact CG2-CG2 4.05Å; L134-I136 HydrophobicContact CD1-CG1 4.12Å; L134-I136 HydrophobicContact CD2-CD1 4.04Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CD1 4.17Å; L134-I136 HydrophobicContact CG-CG1 4.09Å; I136-I143 WeakPolarHBondContact O-CA 3.42Å; I136-V144 HydrophobicContact CB-CB 4.39Å; I136-V144 PolarHBondContact N-O 3.38Å; I136-V144 PolarHBondContact O-N 3.15Å; I136-F146 HydrophobicContact CD1-CD2 4.17Å; I136-F146 HydrophobicContact CD1-CE2 3.93Å
137	Y	94	Very high	93.5	Very high	76 Å²	76	40.7 Å²	40.7	30%	0.298	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.6	169.8	-62.5	-94	0	0	0	108.3	E106 Q107 V109 I135 I143	E106-Y137 WeakPolarHBondContact CA-O 3.13Å; E106-Y137 WeakPolarHBondContact CB-O 3.35Å; E106-Y137 PolarHBondContact N-O 3.07Å; Q107-Y137 HydrophobicContact CB-CD2 4.19Å; Q107-Y137 HydrophobicContact CG-CD2 4.46Å; Q107-Y137 PolarHBondContact N-O 2.98Å; Q107-Y137 PolarHBondContact O-N 3.35Å; V109-Y137 HydrophobicContact CB-CE2 4.5Å; V109-Y137 HydrophobicContact CG2-CD2 4.26Å; V109-Y137 HydrophobicContact CG2-CE2 3.77Å; I135-Y137 HydrophobicContact CB-CE2 4.43Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.61Å; Y137-I143 HydrophobicContact CD1-CD1 3.89Å; Y137-I143 HydrophobicContact CD1-CG1 3.82Å; Y137-I143 HydrophobicContact CE1-CD1 3.66Å; Y137-I143 HydrophobicContact CE1-CG1 4.06Å; Y137-I143 HydrophobicContact CE1-CG2 4.44Å
138	C	94.2	Very high	93.8	Very high	3 Å²	3	41 Å²	41	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	153.3	-178.5	-57.8	0	0	0	0	111.3	C104 D140 F141 R142	C104-C138 CarbonylContact O-C 3.44Å; C104-C138 WeakPolarHBondContact O-CA 3.41Å; C138-D140 WeakPolarHBondContact CB-OD1 3.12Å; C138-D140 PolarHBondContact O-N 3.13Å; C138-D140 VanDerWaalsContact O-N 3.16Å; C138-F141 PolarHBondContact O-N 2.95Å; C138-R142 HydrophobicContact CB-CB 4.04Å; C138-R142 VanDerWaalsContact CB-O 3.28Å; C138-R142 WeakPolarHBondContact CB-O 3.48Å; C138-R142 PolarHBondContact N-O 3.2Å
139	K	92.2	Very high	93.7	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.065	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.8	175.3	-71.7	179.8	171.3	164.3	0	113.9	T103 C104 E106 C452 N453 K456 E461 R498	T103-K139 PolarHBondContact O-NZ 3.15Å; C104-K139 WeakPolarHBondContact O-CG 3.42Å; C104-K139 PolarHBondContact O-N 3.46Å; E106-K139 HydrophobicContact CB-CG 4.05Å; K139-C452 PolarHBondContact NZ-O 3.22Å; K139-N453 PolarHBondContact NZ-O 3.33Å; K139-K456 VanDerWaalsContact CE-NZ 3.29Å; K139-E461 WeakPolarHBondContact CE-OE1 3.38Å; K139-E461 IonicContact NZ-OE1 3.2Å; K139-R498 PolarHBondContact O-NH2 3.27Å
140	D	90.2	Very high	93.6	Very high	30 Å²	30	41 Å²	41	16%	0.16	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	31.3	-177.5	63.4	0.8	0	0	0	111.9	C104 C138 R142	C104-D140 VanDerWaalsContact SG-CG 3.51Å; C104-D140 PolarHBondContact SG-OD2 3.27Å; C104-D140 VanDerWaalsContact SG-OD2 3.35Å; C138-D140 WeakPolarHBondContact CB-OD1 3.12Å; C138-D140 PolarHBondContact O-N 3.13Å; C138-D140 VanDerWaalsContact O-N 3.16Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 PolarHBondContact O-N 3.28Å; D140-R142 WeakPolarHBondContact OD1-CB 3.12Å; D140-R142 WeakPolarHBondContact OD1-CG 3.46Å; D140-R142 PolarHBondContact OD1-N 3.35Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 3.32Å; D140-R142 IonicContact OD2-CZ 2.76Å; D140-R142 IonicContact OD2-NE 3.81Å; D140-R142 PolarHBondContact OD2-NE 3.37Å; D140-R142 IonicContact OD2-NH2 2.74Å; D140-R142 PolarHBondContact OD2-NH2 2.97Å
141	F	89.9	Confident	93.5	Very high	67 Å²	67	38.3 Å²	38.3	29%	0.294	17%	0.174	S	C	.	.	S	Bend	trans	68.1	-4.7	178.3	-61	-113.7	0	0	0	114.9	C138 F348 K352 C355 V356	C138-F141 PolarHBondContact O-N 2.95Å; F141-F348 AromaticContact CE2-CE2 3.68Å; F141-F348 HydrophobicContact CE2-CE2 3.68Å; F141-F348 AromaticContact CE2-CZ 3.83Å; F141-F348 HydrophobicContact CE2-CZ 3.83Å; F141-F348 AromaticContact CZ-CE2 3.75Å; F141-F348 HydrophobicContact CZ-CE2 3.75Å; F141-F348 HydrophobicContact CZ-CZ 4.21Å; F141-K352 HydrophobicContact CD1-CB 4.29Å; F141-K352 HydrophobicContact CD1-CG 3.93Å; F141-K352 VanDerWaalsContact CE1-CA 3.45Å; F141-K352 HydrophobicContact CE1-CB 3.89Å; F141-K352 HydrophobicContact CE1-CG 4.05Å; F141-K352 HydrophobicContact CG-CG 4.26Å; F141-K352 HydrophobicContact CZ-CB 4.14Å; F141-K352 HydrophobicContact CZ-CG 4.42Å; F141-C355 HydrophobicContact CD1-CB 3.63Å; F141-C355 HydrophobicContact CE1-CB 3.78Å; F141-V356 HydrophobicContact CB-CG1 4.43Å; F141-V356 WeakPolarHBondContact O-CG1 3.39Å
142	R	89.4	Confident	93.4	Very high	91 Å²	91	39.7 Å²	39.7	34%	0.343	19%	0.189	S	C	.	.			trans	-73.3	135.6	175.9	-63.1	-175	-68.6	169.2	-5.6	111.5	D99 C138 D140 V144	D99-R142 PolarHBondContact O-NH1 3.41Å; C138-R142 HydrophobicContact CB-CB 4.04Å; C138-R142 VanDerWaalsContact CB-O 3.28Å; C138-R142 WeakPolarHBondContact CB-O 3.48Å; C138-R142 PolarHBondContact N-O 3.2Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 PolarHBondContact O-N 3.28Å; D140-R142 WeakPolarHBondContact OD1-CB 3.12Å; D140-R142 WeakPolarHBondContact OD1-CG 3.46Å; D140-R142 PolarHBondContact OD1-N 3.35Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 3.32Å; D140-R142 IonicContact OD2-CZ 2.76Å; D140-R142 IonicContact OD2-NE 3.81Å; D140-R142 PolarHBondContact OD2-NE 3.37Å; D140-R142 IonicContact OD2-NH2 2.74Å; D140-R142 PolarHBondContact OD2-NH2 2.97Å; R142-V144 HydrophobicContact CB-CG2 4.49Å
143	I	91.1	Very high	93.3	Very high	55 Å²	55	42.3 Å²	42.3	28%	0.282	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.3	162.9	-59.6	177.6	0	0	0	107.2	I135 I136 Y137 R145 V356	I135-I143 HydrophobicContact CG2-CG2 3.78Å; I136-I143 WeakPolarHBondContact O-CA 3.42Å; Y137-I143 HydrophobicContact CD1-CD1 3.89Å; Y137-I143 HydrophobicContact CD1-CG1 3.82Å; Y137-I143 HydrophobicContact CE1-CD1 3.66Å; Y137-I143 HydrophobicContact CE1-CG1 4.06Å; Y137-I143 HydrophobicContact CE1-CG2 4.44Å; I143-R145 HydrophobicContact CG2-CG 4.23Å; I143-V356 HydrophobicContact CD1-CB 3.84Å; I143-V356 HydrophobicContact CD1-CG1 4.33Å; I143-V356 HydrophobicContact CD1-CG2 4.32Å
144	V	92.7	Very high	93.2	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.085	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.5	179.8	-169.8	0	0	0	0	108.8	V100 I136 R142 F146	V100-V144 HydrophobicContact CG2-CG2 4.19Å; I136-V144 HydrophobicContact CB-CB 4.39Å; I136-V144 PolarHBondContact N-O 3.38Å; I136-V144 PolarHBondContact O-N 3.15Å; R142-V144 HydrophobicContact CB-CG2 4.49Å; V144-F146 HydrophobicContact CB-CE2 4.37Å; V144-F146 HydrophobicContact CG1-CD2 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.41Å; V144-F146 VanDerWaalsContact CG1-CE2 3.41Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å
145	R	94	Very high	93.1	Very high	84 Å²	84	49.7 Å²	49.7	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.8	-178.9	-60.9	-174.2	-175	177.4	3.1	110.5	K53 C54 L134 I135 I143	K53-R145 WeakPolarHBondContact CA-O 2.97Å; C54-R145 HydrophobicContact CB-CB 3.98Å; C54-R145 PolarHBondContact N-O 3Å; L134-R145 WeakPolarHBondContact O-CA 3.45Å; I135-R145 HydrophobicContact CG1-CG 4.28Å; I135-R145 HydrophobicContact CG2-CG 4.2Å; I143-R145 HydrophobicContact CG2-CG 4.23Å
146	F	96.1	Very high	93.1	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	176.1	-63.5	-71.7	0	0	0	109.7	V51 R52 K53 L68 F77 E133 L134 I136 V144 F148	V51-F146 HydrophobicContact CG1-CB 3.79Å; V51-F146 HydrophobicContact CG1-CD1 3.78Å; V51-F146 HydrophobicContact CG1-CG 4.13Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.27Å; R52-F146 WeakPolarHBondContact O-CA 3.01Å; K53-F146 HydrophobicContact CB-CD1 3.85Å; K53-F146 HydrophobicContact CB-CE1 3.75Å; K53-F146 HydrophobicContact CD-CE1 3.97Å; K53-F146 HydrophobicContact CG-CD1 4.09Å; K53-F146 HydrophobicContact CG-CE1 3.7Å; K53-F146 HydrophobicContact CG-CZ 4.49Å; L68-F146 HydrophobicContact CD1-CD1 4.37Å; L68-F146 HydrophobicContact CD1-CD2 4.18Å; L68-F146 HydrophobicContact CD1-CE1 3.95Å; L68-F146 HydrophobicContact CD1-CE2 3.73Å; L68-F146 HydrophobicContact CD1-CG 4.47Å; L68-F146 HydrophobicContact CD1-CZ 3.6Å; L68-F146 HydrophobicContact CD2-CD2 4.07Å; L68-F146 HydrophobicContact CD2-CE2 4.42Å; L68-F146 HydrophobicContact CD2-CG 4.16Å; F77-F146 HydrophobicContact CB-CE1 3.85Å; F77-F146 HydrophobicContact CB-CZ 4.03Å; F77-F146 HydrophobicContact CD2-CD1 4.11Å; F77-F146 AromaticContact CD2-CE1 3.54Å; F77-F146 HydrophobicContact CD2-CE1 3.54Å; F77-F146 HydrophobicContact CD2-CZ 4.47Å; F77-F146 HydrophobicContact CE2-CD1 4.44Å; F77-F146 HydrophobicContact CE2-CE1 4.21Å; F77-F146 AromaticContact CG-CE1 3.71Å; F77-F146 HydrophobicContact CG-CE1 3.71Å; F77-F146 HydrophobicContact CG-CZ 4.38Å; E133-F146 CarbonylContact C-O 3.51Å; E133-F146 VanDerWaalsContact CA-O 3.26Å; E133-F146 WeakPolarHBondContact CA-O 3.25Å; E133-F146 WeakPolarHBondContact CG-O 3.31Å; L134-F146 HydrophobicContact CB-CB 4.34Å; L134-F146 HydrophobicContact CD2-CD2 4.18Å; L134-F146 HydrophobicContact CG-CD2 4.49Å; L134-F146 PolarHBondContact N-O 3.49Å; L134-F146 PolarHBondContact O-N 3.19Å; I136-F146 HydrophobicContact CD1-CD2 4.17Å; I136-F146 HydrophobicContact CD1-CE2 3.93Å; V144-F146 HydrophobicContact CB-CE2 4.37Å; V144-F146 HydrophobicContact CG1-CD2 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.41Å; V144-F146 VanDerWaalsContact CG1-CE2 3.41Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å; F146-F148 HydrophobicContact CB-CZ 4.5Å
147	R	95.4	Very high	93.1	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.6	172.4	-56.5	-169.7	91.9	166.7	9.7	111	R52 D113 T132 E133 D149	R52-R147 HydrophobicContact CB-CB 4.43Å; R52-R147 PolarHBondContact N-O 3.21Å; R52-R147 PolarHBondContact O-N 3.08Å; D113-R147 IonicContact OD2-CZ 3.63Å; D113-R147 IonicContact OD2-NH2 2.71Å; D113-R147 PolarHBondContact OD2-NH2 3.35Å; T132-R147 WeakPolarHBondContact O-CA 3.32Å; E133-R147 HydrophobicContact CB-CG 4.31Å; E133-R147 HydrophobicContact CG-CG 4.23Å; R147-D149 VanDerWaalsContact CB-OD2 3.23Å; R147-D149 WeakPolarHBondContact CB-OD2 3.35Å
148	F	96.1	Very high	93.2	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.048	26%	0.262	C	S	.	.			trans	-112.9	29.6	-172.3	-59.7	-59.5	0	0	0	111.6	V48 V51 L68 P131 T132 L134 F146 E150 S151 A156 V159	V48-F148 HydrophobicContact CG1-CE1 4.11Å; V51-F148 HydrophobicContact CG1-CD1 4.27Å; V51-F148 HydrophobicContact CG1-CE1 4.06Å; V51-F148 HydrophobicContact CG2-CD1 4.02Å; V51-F148 HydrophobicContact CG2-CE1 3.99Å; L68-F148 HydrophobicContact CD2-CE1 4.23Å; L68-F148 HydrophobicContact CD2-CZ 4.32Å; P131-F148 HydrophobicContact CB-CD2 4.24Å; P131-F148 HydrophobicContact CB-CE2 4.32Å; P131-F148 HydrophobicContact CG-CD2 4.25Å; P131-F148 HydrophobicContact CG-CE2 4.27Å; T132-F148 PolarHBondContact O-N 3Å; L134-F148 HydrophobicContact CB-CE2 3.59Å; L134-F148 HydrophobicContact CB-CZ 3.76Å; L134-F148 HydrophobicContact CD2-CZ 4.11Å; F146-F148 HydrophobicContact CB-CZ 4.5Å; F148-E150 PolarHBondContact O-N 2.66Å; F148-S151 PolarHBondContact O-N 3.24Å; F148-S151 VanDerWaalsContact O-N 3.14Å; F148-A156 HydrophobicContact CB-CB 3.88Å; F148-A156 HydrophobicContact CD1-CB 3.74Å; F148-A156 HydrophobicContact CD2-CB 3.86Å; F148-A156 HydrophobicContact CE1-CB 4.22Å; F148-A156 HydrophobicContact CE2-CB 4.3Å; F148-A156 HydrophobicContact CG-CB 3.55Å; F148-A156 HydrophobicContact CZ-CB 4.47Å; F148-V159 HydrophobicContact CE1-CG1 4.41Å; F148-V159 HydrophobicContact CZ-CG1 4.32Å
149	D	89.8	Confident	93.4	Very high	82 Å²	82	53.3 Å²	53.3	44%	0.439	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.9	-171.8	-53.2	-62	0	0	0	112.4	R52 R147	R52-D149 IonicContact CZ-OD2 3.83Å; R52-D149 VanDerWaalsContact CZ-OD2 3.31Å; R52-D149 IonicContact NE-OD2 3.41Å; R52-D149 PolarHBondContact NE-OD2 3.36Å; R52-D149 IonicContact NH2-OD1 3.02Å; R52-D149 IonicContact NH2-OD2 2.69Å; R52-D149 PolarHBondContact NH2-OD2 3.49Å; R147-D149 VanDerWaalsContact CB-OD2 3.23Å; R147-D149 WeakPolarHBondContact CB-OD2 3.35Å
150	E	90.4	Very high	93.6	Very high	131 Å²	131	52.6 Å²	52.6	61%	0.612	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	3.4	178.9	-61.2	-172.2	-168.6	0	0	113.2	F50 W65 F148	F50-E150 HydrophobicContact CB-CB 4.09Å; W65-E150 HydrophobicContact CH2-CB 4.29Å; W65-E150 HydrophobicContact CH2-CG 3.85Å; W65-E150 HydrophobicContact CZ3-CB 4.06Å; W65-E150 HydrophobicContact CZ3-CG 4.13Å; F148-E150 PolarHBondContact O-N 2.66Å
151	S	93.1	Very high	93.9	Very high	11 Å²	11	54 Å²	54	8%	0.077	27%	0.265	C	S	.	.	S	Bend	trans	-82.9	150.5	180	-55.5	0	0	0	0	111.5	N49 F50 F148	N49-S151 PolarHBondContact O-OG 3.41Å; N49-S151 VanDerWaalsContact O-OG 3.13Å; F50-S151 PolarHBondContact O-OG 3.4Å; F148-S151 PolarHBondContact O-N 3.24Å; F148-S151 VanDerWaalsContact O-N 3.14Å
152	G	93.1	Very high	94.2	Very high	34 Å²	34	51.3 Å²	51.3	35%	0.351	26%	0.255	S	S	.	.			trans	-58.4	126.1	169.3	0	0	0	0	0	111	E154 S155 A156	G152-E154 VanDerWaalsContact C-N 3.27Å; G152-E154 PolarHBondContact O-N 2.96Å; G152-S155 WeakPolarHBondContact CA-OG 3.29Å; G152-S155 PolarHBondContact O-N 3.32Å; G152-S155 VanDerWaalsContact O-N 3.15Å; G152-S155 PolarHBondContact O-OG 3.16Å; G152-A156 PolarHBondContact O-N 3.01Å
153	P	92.8	Very high	94.5	Very high	71 Å²	71	47 Å²	47	46%	0.461	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-31.2	-172.9	22.2	-33.1	0	0	0	113.1	N130 K157	N130-P153 HydrophobicContact CB-CB 3.89Å; P153-K157 WeakPolarHBondContact O-CB 3.46Å; P153-K157 PolarHBondContact O-N 3.32Å; P153-K157 VanDerWaalsContact O-N 3.14Å
154	E	93.9	Very high	94.7	Very high	138 Å²	138	44.4 Å²	44.4	65%	0.645	23%	0.226	S	C	*	.	H	α-helix	trans	-71.9	-41.4	175.1	-63.6	-165	150.7	0	0	112.5	G152 K157 K158	G152-E154 VanDerWaalsContact C-N 3.27Å; G152-E154 PolarHBondContact O-N 2.96Å; E154-K157 PolarHBondContact O-N 2.83Å; E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 2.82Å
155	S	95.2	Very high	94.8	Very high	40 Å²	40	47.9 Å²	47.9	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-43.6	175.9	38.2	0	0	0	0	111.8	G152 K157 K158 V159	G152-S155 WeakPolarHBondContact CA-OG 3.29Å; G152-S155 PolarHBondContact O-N 3.32Å; G152-S155 VanDerWaalsContact O-N 3.15Å; G152-S155 PolarHBondContact O-OG 3.16Å; S155-K157 VanDerWaalsContact C-N 3.29Å; S155-K157 PolarHBondContact O-N 3.14Å; S155-K158 PolarHBondContact O-N 3.33Å; S155-K158 VanDerWaalsContact O-N 3.14Å; S155-V159 PolarHBondContact O-N 3.16Å
156	A	96.3	Very high	94.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-43.2	175.1	0	0	0	0	0	111.3	P131 F148 G152 V159 C160	P131-A156 HydrophobicContact CG-CB 4.25Å; F148-A156 HydrophobicContact CB-CB 3.88Å; F148-A156 HydrophobicContact CD1-CB 3.74Å; F148-A156 HydrophobicContact CD2-CB 3.86Å; F148-A156 HydrophobicContact CE1-CB 4.22Å; F148-A156 HydrophobicContact CE2-CB 4.3Å; F148-A156 HydrophobicContact CG-CB 3.55Å; F148-A156 HydrophobicContact CZ-CB 4.47Å; G152-A156 PolarHBondContact O-N 3.01Å; A156-V159 WeakPolarHBondContact O-CG1 3.38Å; A156-C160 PolarHBondContact O-N 3.33Å; A156-C160 VanDerWaalsContact O-N 3.16Å; A156-C160 PolarHBondContact O-SG 2.94Å
157	K	96	Very high	94.7	Very high	58 Å²	58	48.1 Å²	48.1	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-43.7	174.7	-178.7	173.1	-175.8	177.3	0	112.7	L127 P153 E154 S155 L161	L127-K157 HydrophobicContact CD2-CG 4.26Å; L127-K157 WeakPolarHBondContact O-CE 3.43Å; L127-K157 PolarHBondContact O-NZ 3.46Å; P153-K157 WeakPolarHBondContact O-CB 3.46Å; P153-K157 PolarHBondContact O-N 3.32Å; P153-K157 VanDerWaalsContact O-N 3.14Å; E154-K157 PolarHBondContact O-N 2.83Å; S155-K157 VanDerWaalsContact C-N 3.29Å; S155-K157 PolarHBondContact O-N 3.14Å; K157-L161 HydrophobicContact CG-CD1 4.11Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.44Å; K157-L161 PolarHBondContact O-N 3.03Å; K157-L161 VanDerWaalsContact O-N 3.13Å
158	K	96.1	Very high	94.5	Very high	115 Å²	115	47.1 Å²	47.1	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-44.8	179.5	-75.8	173.9	-175.2	174.2	0	111.8	E154 S155 C160 L161 A162	E154-K158 WeakPolarHBondContact O-CB 3.46Å; E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 2.82Å; S155-K158 PolarHBondContact O-N 3.33Å; S155-K158 VanDerWaalsContact O-N 3.14Å; K158-C160 PolarHBondContact O-N 3.38Å; K158-L161 PolarHBondContact O-N 2.86Å; K158-A162 WeakPolarHBondContact O-CB 3.29Å; K158-A162 PolarHBondContact O-N 3.27Å
159	V	96.9	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-42.1	178.3	79.5	0	0	0	0	111.4	N46 V48 L68 C70 F148 S155 A156 L161 A162 I163	N46-V159 HydrophobicContact CB-CB 4.45Å; N46-V159 HydrophobicContact CB-CG2 4.33Å; N46-V159 PolarHBondContact OD1-N 2.99Å; V48-V159 HydrophobicContact CB-CG1 4.38Å; V48-V159 HydrophobicContact CG1-CB 4.07Å; V48-V159 HydrophobicContact CG1-CG1 3.55Å; V48-V159 HydrophobicContact CG1-CG2 4.37Å; L68-V159 HydrophobicContact CD2-CG1 4.31Å; C70-V159 HydrophobicContact CB-CG2 4.16Å; F148-V159 HydrophobicContact CE1-CG1 4.41Å; F148-V159 HydrophobicContact CZ-CG1 4.32Å; S155-V159 PolarHBondContact O-N 3.16Å; A156-V159 WeakPolarHBondContact O-CG1 3.38Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.34Å; V159-A162 PolarHBondContact O-N 2.94Å; V159-I163 HydrophobicContact CG2-CD1 4.03Å; V159-I163 HydrophobicContact CG2-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.26Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 2.81Å
160	C	97.1	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-42.9	177.3	-71.4	0	0	0	0	111.9	T110 L121 A156 K158 A164	T110-C160 HydrophobicContact CG2-CB 3.97Å; L121-C160 HydrophobicContact CD2-CB 4.2Å; L121-C160 WeakPolarHBondContact CD2-O 3.28Å; A156-C160 PolarHBondContact O-N 3.33Å; A156-C160 VanDerWaalsContact O-N 3.16Å; A156-C160 PolarHBondContact O-SG 2.94Å; K158-C160 PolarHBondContact O-N 3.38Å; C160-A164 PolarHBondContact O-N 2.85Å; C160-A164 VanDerWaalsContact O-N 3.1Å
161	L	96.2	Very high	94.4	Very high	58 Å²	58	45.1 Å²	45.1	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-67.3	-39.3	176.5	-70.2	170.3	0	0	0	112.1	L121 Q125 L127 K157 K158 V159 A164 H165	L121-L161 HydrophobicContact CD1-CD2 4.22Å; L121-L161 HydrophobicContact CD2-CD2 4.26Å; Q125-L161 WeakPolarHBondContact O-CD2 3.22Å; L127-L161 HydrophobicContact CB-CD2 4.15Å; K157-L161 HydrophobicContact CG-CD1 4.11Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.44Å; K157-L161 PolarHBondContact O-N 3.03Å; K157-L161 VanDerWaalsContact O-N 3.13Å; K158-L161 PolarHBondContact O-N 2.86Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.34Å; L161-A164 PolarHBondContact O-N 2.98Å; L161-H165 WeakPolarHBondContact O-CB 3.13Å; L161-H165 PolarHBondContact O-N 3.47Å
162	A	95.9	Very high	94.5	Very high	11 Å²	11	44.8 Å²	44.8	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-48.4	176	0	0	0	0	0	111.2	V45 N46 C70 K158 V159 A164 H165 Y166	V45-A162 HydrophobicContact CG1-CB 3.94Å; N46-A162 HydrophobicContact CB-CB 3.75Å; C70-A162 HydrophobicContact CB-CB 4.41Å; K158-A162 WeakPolarHBondContact O-CB 3.29Å; K158-A162 PolarHBondContact O-N 3.27Å; V159-A162 PolarHBondContact O-N 2.94Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 2.92Å; A162-H165 PolarHBondContact O-N 2.82Å; A162-Y166 WeakPolarHBondContact O-CD2 3.28Å; A162-Y166 PolarHBondContact O-N 3.3Å
163	I	96.7	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-48.9	177	-68.7	166.3	0	0	0	110.4	L68 C70 I75 I105 I108 L134 V159 H165 Y166 S167	L68-I163 HydrophobicContact CD2-CD1 4.41Å; C70-I163 HydrophobicContact CB-CG1 3.76Å; I75-I163 HydrophobicContact CD1-CB 4.42Å; I75-I163 HydrophobicContact CD1-CD1 3.81Å; I75-I163 HydrophobicContact CD1-CG1 3.95Å; I75-I163 HydrophobicContact CD1-CG2 3.56Å; I75-I163 HydrophobicContact CG1-CD1 4.18Å; I75-I163 HydrophobicContact CG1-CG1 4.03Å; I75-I163 HydrophobicContact CG1-CG2 4.27Å; I105-I163 HydrophobicContact CD1-CG2 3.93Å; I108-I163 HydrophobicContact CD1-CG2 3.71Å; I108-I163 HydrophobicContact CG1-CG2 4.33Å; L134-I163 HydrophobicContact CD2-CD1 3.86Å; V159-I163 HydrophobicContact CG2-CD1 4.03Å; V159-I163 HydrophobicContact CG2-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.26Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 2.81Å; I163-H165 VanDerWaalsContact C-N 3.3Å; I163-H165 PolarHBondContact O-N 3.25Å; I163-Y166 PolarHBondContact O-N 2.8Å; I163-S167 VanDerWaalsContact O-CB 3.22Å; I163-S167 WeakPolarHBondContact O-CB 3.3Å; I163-S167 PolarHBondContact O-N 3.23Å; I163-S167 PolarHBondContact O-OG 2.94Å; I163-S167 VanDerWaalsContact O-OG 3.1Å
164	A	94.9	Very high	94.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-31.2	-179.8	0	0	0	0	0	114.1	I108 L121 C160 L161 A162	I108-A164 VanDerWaalsContact CD1-CA 3.46Å; I108-A164 HydrophobicContact CD1-CB 3.89Å; L121-A164 HydrophobicContact CB-CB 4.22Å; L121-A164 HydrophobicContact CD2-CB 3.66Å; L121-A164 HydrophobicContact CG-CB 3.64Å; C160-A164 PolarHBondContact O-N 2.85Å; C160-A164 VanDerWaalsContact O-N 3.1Å; L161-A164 PolarHBondContact O-N 2.98Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 2.92Å
165	H	94.2	Very high	94.8	Very high	87 Å²	87	40.5 Å²	40.5	40%	0.403	21%	0.205	S	C	.	.	H	α-helix	trans	-72.4	-51.8	174.9	176.5	-91	0	0	0	111.4	L161 A162 I163 Q168	L161-H165 WeakPolarHBondContact O-CB 3.13Å; L161-H165 PolarHBondContact O-N 3.47Å; A162-H165 PolarHBondContact O-N 2.82Å; I163-H165 VanDerWaalsContact C-N 3.3Å; I163-H165 PolarHBondContact O-N 3.25Å; H165-Q168 PolarHBondContact O-N 3.36Å
166	Y	94.1	Very high	94.8	Very high	89 Å²	89	38.8 Å²	38.8	35%	0.349	19%	0.193	S	C	.	.	H	α-helix	trans	-78.7	-20.8	-172.9	-79.2	-97.3	0	0	0	113.6	V45 N72 A162 I163 Q168	V45-Y166 HydrophobicContact CB-CE2 4.2Å; V45-Y166 HydrophobicContact CG1-CD2 3.79Å; V45-Y166 HydrophobicContact CG1-CE2 3.28Å; V45-Y166 HydrophobicContact CG2-CD1 4.17Å; V45-Y166 HydrophobicContact CG2-CD2 4.25Å; V45-Y166 HydrophobicContact CG2-CE1 3.76Å; V45-Y166 HydrophobicContact CG2-CE2 3.88Å; V45-Y166 HydrophobicContact CG2-CG 4.39Å; N72-Y166 HydrophobicContact CB-CD1 4.25Å; N72-Y166 HydrophobicContact CB-CE1 4.21Å; A162-Y166 WeakPolarHBondContact O-CD2 3.28Å; A162-Y166 PolarHBondContact O-N 3.3Å; I163-Y166 PolarHBondContact O-N 2.8Å; Y166-Q168 PolarHBondContact O-N 3.17Å
167	S	94.1	Very high	94.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.9	172.3	73.4	0	0	0	0	114.1	I108 I163	I108-S167 WeakPolarHBondContact CD1-OG 3.49Å; I163-S167 VanDerWaalsContact O-CB 3.22Å; I163-S167 WeakPolarHBondContact O-CB 3.3Å; I163-S167 PolarHBondContact O-N 3.23Å; I163-S167 PolarHBondContact O-OG 2.94Å; I163-S167 VanDerWaalsContact O-OG 3.1Å
168	Q	91.5	Very high	94.8	Very high	50 Å²	50	36 Å²	36	23%	0.234	18%	0.181	C	C	.	.	S	Bend	trans	-131.9	67.9	-177.8	-48.4	-154.8	8.3	0	0	111.2	P123 H165 Y166 T170 K456	P123-Q168 HydrophobicContact CB-CB 4.2Å; P123-Q168 HydrophobicContact CG-CB 4.23Å; P123-Q168 VanDerWaalsContact CG-OE1 3.3Å; H165-Q168 PolarHBondContact O-N 3.36Å; Y166-Q168 PolarHBondContact O-N 3.17Å; Q168-T170 PolarHBondContact O-N 3.02Å; Q168-K456 HydrophobicContact CB-CB 4.27Å; Q168-K456 HydrophobicContact CB-CG 4.21Å; Q168-K456 HydrophobicContact CG-CB 4.23Å; Q168-K456 HydrophobicContact CG-CG 3.96Å
169	P	91.6	Very high	94.7	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.091	17%	0.172	C	C	.	.			trans	-61.7	134.3	-179.4	25.9	-33.9	0	0	0	111.3	D171 L174 L175 L455	P169-D171 VanDerWaalsContact C-N 3.34Å; P169-L174 HydrophobicContact CB-CB 3.86Å; P169-L175 HydrophobicContact CG-CD2 3.67Å; P169-L175 HydrophobicContact CG-CG 4.5Å; P169-L455 HydrophobicContact CB-CD2 4.42Å; P169-L455 HydrophobicContact CG-CD2 3.86Å
170	T	90.3	Very high	94.5	Very high	105 Å²	105	35.8 Å²	35.8	64%	0.644	18%	0.18	S	C	*	.	S	Bend	trans	-76.2	-23.7	-178.8	50.9	0	0	0	0	113.2	Q168 L174 R457	Q168-T170 PolarHBondContact O-N 3.02Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.27Å; T170-R457 PolarHBondContact O-NH1 3.23Å
171	D	92.6	Very high	94.3	Very high	63 Å²	63	36 Å²	36	34%	0.337	18%	0.181	S	C	.	.	S	Bend	trans	-135	153.7	-179.4	-170	-96.2	0	0	0	111.6	P169 Q173 L174	P169-D171 VanDerWaalsContact C-N 3.34Å; D171-Q173 VanDerWaalsContact C-N 3.27Å; D171-Q173 PolarHBondContact O-N 3.2Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.35Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.71Å; D171-L174 HydrophobicContact CB-CD1 4.42Å; D171-L174 HydrophobicContact CB-CG 4.37Å; D171-L174 WeakPolarHBondContact O-CB 3.46Å; D171-L174 PolarHBondContact O-N 3.46Å
172	L	94.5	Very high	94	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-60.4	-37.4	178.9	-179.3	66.9	0	0	0	112.6	L174 L175 F178 L449 L455 F507 Q516	L172-L174 PolarHBondContact O-N 3.27Å; L172-L175 HydrophobicContact CD1-CD1 3.57Å; L172-L175 HydrophobicContact CD1-CG 4.45Å; L172-L175 VanDerWaalsContact O-CB 3.3Å; L172-L175 WeakPolarHBondContact O-CB 3.39Å; L172-L175 WeakPolarHBondContact O-CG 3.48Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-F178 HydrophobicContact CD2-CE2 4.44Å; L172-F178 HydrophobicContact CD2-CZ 4.36Å; L172-F178 HydrophobicContact CG-CE2 3.92Å; L172-F178 HydrophobicContact CG-CZ 4.26Å; L172-F178 WeakPolarHBondContact O-CE2 3.38Å; L172-L449 HydrophobicContact CD1-CD1 3.41Å; L172-L449 VanDerWaalsContact CD1-CD1 3.41Å; L172-L449 HydrophobicContact CD1-CD2 3.74Å; L172-L449 HydrophobicContact CD1-CG 4.18Å; L172-L449 HydrophobicContact CD2-CD2 4.37Å; L172-L455 HydrophobicContact CB-CD1 4.41Å; L172-F507 HydrophobicContact CD2-CD1 3.7Å; L172-F507 HydrophobicContact CD2-CE1 3.65Å; L172-Q516 HydrophobicContact CD2-CB 4.07Å; L172-Q516 HydrophobicContact CD2-CG 3.66Å
173	Q	95.1	Very high	93.5	Very high	42 Å²	42	37 Å²	37	20%	0.196	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-69.7	-11.3	-177.9	-62.6	-179.7	16.8	0	0	113.2	D171 L175 F178 Q516 F520	D171-Q173 VanDerWaalsContact C-N 3.27Å; D171-Q173 PolarHBondContact O-N 3.2Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.35Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.71Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-F178 HydrophobicContact CB-CD1 4.43Å; Q173-F178 HydrophobicContact CB-CG 4.38Å; Q173-F178 HydrophobicContact CG-CD1 4.22Å; Q173-F178 HydrophobicContact CG-CE1 3.97Å; Q173-F178 HydrophobicContact CG-CZ 4.16Å; Q173-F178 WeakPolarHBondContact O-CB 3.45Å; Q173-Q516 VanDerWaalsContact NE2-OE1 3.15Å; Q173-F520 HydrophobicContact CB-CD2 4.01Å; Q173-F520 HydrophobicContact CG-CB 4.4Å; Q173-F520 HydrophobicContact CG-CD2 4.19Å
174	L	94.7	Very high	92.9	Very high	106 Å²	106	43.8 Å²	43.8	56%	0.555	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-83.2	-7.2	172.2	-61.3	177.2	0	0	0	112.8	P169 T170 D171 L172	P169-L174 HydrophobicContact CB-CB 3.86Å; T170-L174 WeakPolarHBondContact OG1-CD1 3.27Å; D171-L174 HydrophobicContact CB-CD1 4.42Å; D171-L174 HydrophobicContact CB-CG 4.37Å; D171-L174 WeakPolarHBondContact O-CB 3.46Å; D171-L174 PolarHBondContact O-N 3.46Å; L172-L174 PolarHBondContact O-N 3.27Å
175	L	96	Very high	92.2	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	22%	0.221	C	C	.	.	S	Bend	trans	-69.1	142.4	170	-66.1	-179.7	0	0	0	110.4	T103 P169 L172 Q173 A177 F178 L449 H454 L455 L506	T103-L175 HydrophobicContact CG2-CD2 3.7Å; P169-L175 HydrophobicContact CG-CD2 3.67Å; P169-L175 HydrophobicContact CG-CG 4.5Å; L172-L175 HydrophobicContact CD1-CD1 3.57Å; L172-L175 HydrophobicContact CD1-CG 4.45Å; L172-L175 VanDerWaalsContact O-CB 3.3Å; L172-L175 WeakPolarHBondContact O-CB 3.39Å; L172-L175 WeakPolarHBondContact O-CG 3.48Å; L172-L175 PolarHBondContact O-N 3.34Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.23Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-F178 VanDerWaalsContact O-N 3.12Å; L175-L449 HydrophobicContact CD1-CD1 4.14Å; L175-H454 HydrophobicContact CD1-CB 4.16Å; L175-H454 HydrophobicContact CD2-CB 4.43Å; L175-L455 HydrophobicContact CD1-CD2 4.2Å; L175-L455 HydrophobicContact CD2-CD2 4.39Å; L175-L455 HydrophobicContact CG-CD2 4.22Å; L175-L506 HydrophobicContact CB-CD1 4.36Å; L175-L506 HydrophobicContact CD1-CD1 3.42Å; L175-L506 VanDerWaalsContact CD1-CD1 3.42Å; L175-L506 HydrophobicContact CD1-CG 4.34Å
176	F	96.2	Very high	91.4	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-54.4	-34.2	-169.3	-179.6	-118.4	0	0	0	114.5	L39 E42 F73 F178 E179 Y180 L501	L39-F176 HydrophobicContact CB-CE1 4.12Å; L39-F176 HydrophobicContact CB-CZ 3.83Å; L39-F176 HydrophobicContact CD1-CE1 3.86Å; L39-F176 HydrophobicContact CD1-CZ 4.4Å; E42-F176 HydrophobicContact CB-CE2 3.76Å; E42-F176 HydrophobicContact CB-CZ 3.82Å; E42-F176 HydrophobicContact CG-CE2 4.32Å; F73-F176 HydrophobicContact CB-CB 4.03Å; F73-F176 HydrophobicContact CB-CD1 3.85Å; F73-F176 HydrophobicContact CB-CD2 3.7Å; F73-F176 HydrophobicContact CB-CE1 4.23Å; F73-F176 HydrophobicContact CB-CE2 4.12Å; F73-F176 HydrophobicContact CB-CG 3.56Å; F73-F176 HydrophobicContact CB-CZ 4.37Å; F73-F176 HydrophobicContact CD1-CD1 4.07Å; F73-F176 HydrophobicContact CD1-CE1 4.06Å; F73-F176 HydrophobicContact CD2-CB 3.58Å; F73-F176 AromaticContact CD2-CD1 3.23Å; F73-F176 HydrophobicContact CD2-CD1 3.23Å; F73-F176 HydrophobicContact CD2-CD2 4.48Å; F73-F176 HydrophobicContact CD2-CE1 4.05Å; F73-F176 AromaticContact CD2-CG 3.5Å; F73-F176 HydrophobicContact CD2-CG 3.5Å; F73-F176 HydrophobicContact CE1-CD1 4.47Å; F73-F176 HydrophobicContact CE1-CE1 4.44Å; F73-F176 HydrophobicContact CE2-CB 4.45Å; F73-F176 AromaticContact CE2-CD1 3.7Å; F73-F176 HydrophobicContact CE2-CD1 3.7Å; F73-F176 HydrophobicContact CE2-CE1 4.42Å; F73-F176 HydrophobicContact CE2-CG 4.37Å; F73-F176 HydrophobicContact CG-CB 4.14Å; F73-F176 AromaticContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD1 3.44Å; F73-F176 VanDerWaalsContact CG-CD1 3.44Å; F73-F176 HydrophobicContact CG-CD2 4.25Å; F73-F176 AromaticContact CG-CE1 3.85Å; F73-F176 HydrophobicContact CG-CE1 3.85Å; F73-F176 AromaticContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CG 3.66Å; F73-F176 HydrophobicContact CG-CZ 4.44Å; F73-F176 HydrophobicContact CZ-CD1 4.3Å; F176-F178 PolarHBondContact O-N 2.87Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F176-E179 PolarHBondContact O-N 3.3Å; F176-E179 VanDerWaalsContact O-N 3.08Å; F176-Y180 AromaticContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CG 4.34Å; F176-Y180 HydrophobicContact CZ-CD2 4Å; F176-Y180 WeakPolarHBondContact O-CB 3.48Å; F176-Y180 PolarHBondContact O-N 2.9Å; F176-L501 HydrophobicContact CD1-CD1 4.19Å; F176-L501 HydrophobicContact CE1-CD1 3.89Å
177	A	96.1	Very high	90	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-48.3	-39.1	178	0	0	0	0	0	113.7	L175 V181 S500 L506 F536	L175-A177 PolarHBondContact O-N 3.23Å; A177-V181 WeakPolarHBondContact O-CB 3.45Å; A177-V181 VanDerWaalsContact O-CG2 3.22Å; A177-V181 WeakPolarHBondContact O-CG2 3.22Å; A177-V181 PolarHBondContact O-N 3.26Å; A177-S500 WeakPolarHBondContact CA-O 3.4Å; A177-S500 VanDerWaalsContact CB-O 3.27Å; A177-S500 WeakPolarHBondContact CB-O 3.29Å; A177-S500 PolarHBondContact N-O 3.41Å; A177-L506 HydrophobicContact CB-CD2 3.44Å; A177-L506 VanDerWaalsContact CB-CD2 3.44Å; A177-F536 HydrophobicContact CB-CD1 3.87Å; A177-F536 HydrophobicContact CB-CE1 3.88Å
178	F	95.9	Very high	88.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-43.6	-179	-76.6	-91.5	0	0	0	112.1	L172 Q173 L175 F176 V181 G182 L506 F507 Q516 F520 L534 F536	L172-F178 HydrophobicContact CD2-CE2 4.44Å; L172-F178 HydrophobicContact CD2-CZ 4.36Å; L172-F178 HydrophobicContact CG-CE2 3.92Å; L172-F178 HydrophobicContact CG-CZ 4.26Å; L172-F178 WeakPolarHBondContact O-CE2 3.38Å; Q173-F178 HydrophobicContact CB-CD1 4.43Å; Q173-F178 HydrophobicContact CB-CG 4.38Å; Q173-F178 HydrophobicContact CG-CD1 4.22Å; Q173-F178 HydrophobicContact CG-CE1 3.97Å; Q173-F178 HydrophobicContact CG-CZ 4.16Å; Q173-F178 WeakPolarHBondContact O-CB 3.45Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-F178 VanDerWaalsContact O-N 3.12Å; F176-F178 PolarHBondContact O-N 2.87Å; F176-F178 VanDerWaalsContact O-N 3.1Å; F178-V181 PolarHBondContact O-N 3.14Å; F178-G182 PolarHBondContact O-N 2.75Å; F178-L506 HydrophobicContact CE2-CD2 4.3Å; F178-F507 HydrophobicContact CE2-CE1 4.41Å; F178-F507 HydrophobicContact CE2-CZ 4.41Å; F178-F507 AromaticContact CZ-CE1 3.97Å; F178-F507 HydrophobicContact CZ-CE1 3.97Å; F178-F507 HydrophobicContact CZ-CZ 4.1Å; F178-Q516 HydrophobicContact CE1-CB 4.39Å; F178-Q516 HydrophobicContact CZ-CB 4.04Å; F178-F520 HydrophobicContact CB-CD2 4.04Å; F178-F520 HydrophobicContact CB-CE1 4.33Å; F178-F520 HydrophobicContact CB-CE2 3.67Å; F178-F520 HydrophobicContact CB-CZ 3.81Å; F178-F520 HydrophobicContact CD1-CB 3.76Å; F178-F520 HydrophobicContact CD1-CD1 4.03Å; F178-F520 AromaticContact CD1-CD2 3.65Å; F178-F520 HydrophobicContact CD1-CD2 3.65Å; F178-F520 HydrophobicContact CD1-CE1 4.49Å; F178-F520 HydrophobicContact CD1-CE2 4.17Å; F178-F520 AromaticContact CD1-CG 3.54Å; F178-F520 HydrophobicContact CD1-CG 3.54Å; F178-F520 HydrophobicContact CE1-CB 3.94Å; F178-F520 HydrophobicContact CE1-CG 4.24Å; F178-F520 HydrophobicContact CG-CD2 4.19Å; F178-F520 HydrophobicContact CG-CE2 4.32Å; F178-F520 HydrophobicContact CG-CG 4.45Å; F178-F520 WeakPolarHBondContact O-CE1 3.39Å; F178-F520 WeakPolarHBondContact O-CZ 3.28Å; F178-L534 HydrophobicContact CD1-CD1 4.19Å; F178-L534 HydrophobicContact CE1-CD1 4.44Å; F178-F536 HydrophobicContact CD1-CE1 4.36Å; F178-F536 AromaticContact CD1-CZ 3.97Å; F178-F536 HydrophobicContact CD1-CZ 3.97Å; F178-F536 HydrophobicContact CD2-CE1 4.37Å; F178-F536 HydrophobicContact CE1-CE1 4.48Å; F178-F536 AromaticContact CE1-CZ 3.75Å; F178-F536 HydrophobicContact CE1-CZ 3.75Å; F178-F536 HydrophobicContact CE2-CE1 4.44Å; F178-F536 HydrophobicContact CE2-CZ 4.29Å; F178-F536 HydrophobicContact CG-CE1 4.33Å; F178-F536 HydrophobicContact CG-CZ 4.36Å; F178-F536 AromaticContact CZ-CZ 3.93Å; F178-F536 HydrophobicContact CZ-CZ 3.93Å
179	E	93.9	Very high	85.9	Confident	67 Å²	67	51.5 Å²	51.5	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-40	177.9	-158	66.1	-162.7	0	0	111	F176 G182 K183 K524	F176-E179 PolarHBondContact O-N 3.3Å; F176-E179 VanDerWaalsContact O-N 3.08Å; E179-G182 PolarHBondContact O-N 2.74Å; E179-K183 WeakPolarHBondContact O-CG 3.39Å; E179-K183 PolarHBondContact O-N 2.62Å; E179-K183 VanDerWaalsContact O-N 3.09Å; E179-K524 IonicContact OE2-NZ 3.31Å
180	Y	93.8	Very high	83.5	Confident	44 Å²	44	57.2 Å²	57.2	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-49.4	175	-178.2	-90.7	0	0	0	111.8	L39 P40 F176 L501 P537	L39-Y180 HydrophobicContact CB-CD2 4.41Å; L39-Y180 HydrophobicContact CB-CE2 4.39Å; P40-Y180 HydrophobicContact CB-CD2 4.37Å; P40-Y180 HydrophobicContact CB-CE2 4.33Å; P40-Y180 HydrophobicContact CG-CE2 4.22Å; P40-Y180 WeakPolarHBondContact O-CD2 3.43Å; F176-Y180 AromaticContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CD2 3.9Å; F176-Y180 HydrophobicContact CE1-CG 4.34Å; F176-Y180 HydrophobicContact CZ-CD2 4Å; F176-Y180 WeakPolarHBondContact O-CB 3.48Å; F176-Y180 PolarHBondContact O-N 2.9Å; Y180-L501 HydrophobicContact CD1-CD1 4.39Å; Y180-L501 HydrophobicContact CD1-CG 4.38Å; Y180-L501 HydrophobicContact CD2-CD1 3.87Å; Y180-L501 HydrophobicContact CE1-CD1 4.48Å; Y180-L501 HydrophobicContact CE2-CD1 3.94Å; Y180-L501 HydrophobicContact CG-CD1 4.1Å; Y180-L501 HydrophobicContact CG-CG 4.43Å; Y180-P537 HydrophobicContact CD1-CG 4.08Å; Y180-P537 HydrophobicContact CE1-CG 3.65Å
181	V	92.2	Very high	81.1	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-71.9	-41.9	179.9	175.7	0	0	0	0	111.4	A177 F178 K183 K184 Y185 L534 F536	A177-V181 WeakPolarHBondContact O-CB 3.45Å; A177-V181 VanDerWaalsContact O-CG2 3.22Å; A177-V181 WeakPolarHBondContact O-CG2 3.22Å; A177-V181 PolarHBondContact O-N 3.26Å; F178-V181 PolarHBondContact O-N 3.14Å; V181-K183 VanDerWaalsContact C-N 3.28Å; V181-K183 PolarHBondContact O-N 3.01Å; V181-K184 VanDerWaalsContact O-CB 3.28Å; V181-K184 WeakPolarHBondContact O-CB 3.43Å; V181-K184 PolarHBondContact O-N 2.98Å; V181-Y185 HydrophobicContact CG1-CD2 3.91Å; V181-Y185 HydrophobicContact CG1-CE2 3.53Å; V181-Y185 WeakPolarHBondContact O-CD2 3.46Å; V181-Y185 PolarHBondContact O-N 3.18Å; V181-L534 HydrophobicContact CG1-CB 4.01Å; V181-L534 HydrophobicContact CG1-CD2 4.29Å; V181-F536 HydrophobicContact CG2-CD1 3.68Å; V181-F536 HydrophobicContact CG2-CE1 4.13Å; V181-F536 HydrophobicContact CG2-CG 4.26Å
182	G	89.2	Confident	78.3	Confident	5 Å²	5	62 Å²	62	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-56.3	-41.9	178.8	0	0	0	0	0	112.5	F178 E179 K184 Y185 H186	F178-G182 PolarHBondContact O-N 2.75Å; E179-G182 PolarHBondContact O-N 2.74Å; G182-K184 VanDerWaalsContact C-N 3.29Å; G182-K184 PolarHBondContact O-N 3.07Å; G182-Y185 PolarHBondContact O-N 3.42Å; G182-H186 PolarHBondContact O-CD2 2.97Å; G182-H186 PolarHBondContact O-N 3.07Å
183	K	87.1	Confident	75.7	Confident	87 Å²	87	71.3 Å²	71.3	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-36.1	174.3	-79.1	-69.1	-173.5	-179.4	0	113.4	E179 V181 Y185 H186 N187	E179-K183 WeakPolarHBondContact O-CG 3.39Å; E179-K183 PolarHBondContact O-N 2.62Å; E179-K183 VanDerWaalsContact O-N 3.09Å; V181-K183 VanDerWaalsContact C-N 3.28Å; V181-K183 PolarHBondContact O-N 3.01Å; K183-Y185 VanDerWaalsContact C-N 3.35Å; K183-Y185 PolarHBondContact O-N 3.13Å; K183-H186 PolarHBondContact O-N 3.43Å; K183-N187 VanDerWaalsContact O-CB 3.3Å; K183-N187 WeakPolarHBondContact O-CB 3.29Å; K183-N187 VanDerWaalsContact O-CG 3.26Å; K183-N187 PolarHBondContact O-N 2.59Å
184	K	83	Confident	73	Confident	141 Å²	141	75.9 Å²	75.9	61%	0.613	40%	0.401	S	S	*	.	H	α-helix	trans	-62.1	-42.1	176.9	-170.9	179.2	177.1	178.9	0	111.6	V181 G182 S188	V181-K184 VanDerWaalsContact O-CB 3.28Å; V181-K184 WeakPolarHBondContact O-CB 3.43Å; V181-K184 PolarHBondContact O-N 2.98Å; G182-K184 VanDerWaalsContact C-N 3.29Å; G182-K184 PolarHBondContact O-N 3.07Å; K184-S188 PolarHBondContact O-N 3.01Å; K184-S188 PolarHBondContact O-OG 2.99Å
185	Y	80.1	Confident	70.3	Confident	52 Å²	52	78.3 Å²	78.3	20%	0.204	41%	0.414	C	S	.	.	H	α-helix	trans	-71	-32.4	178.9	-74.5	-89.5	0	0	0	113.1	V181 G182 K183 I526 L528 E531 L534 K535	V181-Y185 HydrophobicContact CG1-CD2 3.91Å; V181-Y185 HydrophobicContact CG1-CE2 3.53Å; V181-Y185 WeakPolarHBondContact O-CD2 3.46Å; V181-Y185 PolarHBondContact O-N 3.18Å; G182-Y185 PolarHBondContact O-N 3.42Å; K183-Y185 VanDerWaalsContact C-N 3.35Å; K183-Y185 PolarHBondContact O-N 3.13Å; Y185-I526 HydrophobicContact CD1-CG2 3.82Å; Y185-I526 HydrophobicContact CD2-CG2 4.35Å; Y185-I526 HydrophobicContact CG-CG2 3.71Å; Y185-L528 HydrophobicContact CE1-CD2 4.37Å; Y185-E531 PolarHBondContact OH-OE2 3.22Å; Y185-L534 HydrophobicContact CD2-CD2 3.99Å; Y185-L534 HydrophobicContact CE2-CD2 3.75Å; Y185-K535 PolarHBondContact OH-N 2.95Å
186	H	76.9	Confident	67.4	Low	108 Å²	108	82.2 Å²	82.2	50%	0.5	46%	0.456	S	S	.	.	H	α-helix	trans	-76.4	-31.2	175.4	-68.2	-59.6	0	0	0	113.5	G182 K183	G182-H186 PolarHBondContact O-CD2 2.97Å; G182-H186 PolarHBondContact O-N 3.07Å; K183-H186 PolarHBondContact O-N 3.43Å
187	N	64.6	Low	64.6	Low	77 Å²	77	88.7 Å²	88.7	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-88.4	-1	-177.1	-69.3	-2.2	0	0	0	114.2	K183 G189 D190	K183-N187 VanDerWaalsContact O-CB 3.3Å; K183-N187 WeakPolarHBondContact O-CB 3.29Å; K183-N187 VanDerWaalsContact O-CG 3.26Å; K183-N187 PolarHBondContact O-N 2.59Å; N187-G189 PolarHBondContact O-N 3.29Å; N187-D190 PolarHBondContact O-N 2.6Å
188	S	55.6	Low	61.4	Low	81 Å²	81	94.3 Å²	94.3	57%	0.566	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-5.6	177.4	-71.9	0	0	0	0	114.5	K184	K184-S188 PolarHBondContact O-N 3.01Å; K184-S188 PolarHBondContact O-OG 2.99Å
189	G	45.5	Very low	58.5	Low	75 Å²	75	99.7 Å²	99.7	77%	0.773	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-7	167.9	0	0	0	0	0	115.3	N187	N187-G189 PolarHBondContact O-N 3.29Å
190	D	39.8	Very low	55.8	Low	133 Å²	133	100.1 Å²	100.1	71%	0.711	59%	0.585	S	S	*	*			trans	-136.6	37.1	-166.1	-126.9	-1.6	0	0	0	112.6	N187 N192	N187-D190 PolarHBondContact O-N 2.6Å; D190-N192 PolarHBondContact O-N 3.25Å
191	T	39.7	Very low	53	Low	118 Å²	118	105.7 Å²	105.7	72%	0.724	62%	0.618	S	S	*	*			trans	-76.4	18.9	-175.4	43.6	0	0	0	0	115.5
192	N	34.6	Very low	50.5	Low	151 Å²	151	108.4 Å²	108.4	81%	0.807	65%	0.647	S	S	*	*	S	Bend	trans	-114.2	85.1	169.4	-88.6	-21.1	0	0	0	110.7	D190	D190-N192 PolarHBondContact O-N 3.25Å
193	K	39.5	Very low	47.9	Very low	200 Å²	200	111.3 Å²	111.3	87%	0.87	68%	0.677	S	S	*	*			trans	128.1	90.9	156.9	-71.2	166.7	-175.6	-179.3	0	112.4
194	I	38.5	Very low	45.4	Very low	138 Å²	138	111.2 Å²	111.2	71%	0.708	70%	0.7	S	S	*	*			trans	-135.8	116.1	155.2	-55.3	179.2	0	0	0	109	G196	I194-G196 PolarHBondContact O-N 3.43Å; I194-G196 VanDerWaalsContact O-N 3.13Å
195	N	37.8	Very low	42.9	Very low	156 Å²	156	108 Å²	108	83%	0.834	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-0.3	84.6	170	-70	-15	0	0	0	118.6	I197	N195-I197 VanDerWaalsContact C-N 3.27Å; N195-I197 PolarHBondContact O-N 3.43Å
196	G	35.5	Very low	40.5	Very low	87 Å²	87	109.8 Å²	109.8	90%	0.897	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.2	10.3	144.1	0	0	0	0	0	118.7	I194	I194-G196 PolarHBondContact O-N 3.43Å; I194-G196 VanDerWaalsContact O-N 3.13Å
197	I	38.3	Very low	38.1	Very low	140 Å²	140	108.4 Å²	108.4	72%	0.718	76%	0.756	S	S	*	*			trans	-108.8	116.5	171.6	-57.7	175	0	0	0	106.9	N195 S199	N195-I197 VanDerWaalsContact C-N 3.27Å; N195-I197 PolarHBondContact O-N 3.43Å; I197-S199 PolarHBondContact O-N 3.02Å
198	P	28.3	Very low	36.6	Very low	117 Å²	117	109.1 Å²	109.1	76%	0.76	78%	0.782	S	S	*	*			trans	-65.7	126.6	175.7	-2.2	14.2	0	0	0	108.9	G200	P198-G200 PolarHBondContact O-N 2.83Å
199	S	35.7	Very low	35.1	Very low	113 Å²	113	108.9 Å²	108.9	79%	0.79	79%	0.793	S	S	*	*			trans	-57.3	107.1	167.3	-58	0	0	0	0	108.8	I197 D201	I197-S199 PolarHBondContact O-N 3.02Å; S199-D201 PolarHBondContact O-N 3.28Å
200	G	35.3	Very low	34.5	Very low	76 Å²	76	114 Å²	114	78%	0.784	80%	0.803	S	S	*	*			trans	-67.8	98.2	166.3	0	0	0	0	0	108.5	P198 G202	P198-G200 PolarHBondContact O-N 2.83Å; G200-G202 VanDerWaalsContact C-N 3.28Å; G200-G202 PolarHBondContact O-N 2.8Å
201	D	35.9	Very low	33.8	Very low	161 Å²	161	111.3 Å²	111.3	86%	0.861	81%	0.806	S	S	*	*			trans	-63.5	90.8	170.7	-103.8	-12.3	0	0	0	109.5	S199 G203	S199-D201 PolarHBondContact O-N 3.28Å; D201-G203 PolarHBondContact O-N 3.16Å
202	G	38.8	Very low	33.5	Very low	61 Å²	61	111 Å²	111	63%	0.629	82%	0.816	S	S	*	*			trans	-83.8	52.6	164.4	0	0	0	0	0	111.2	G200	G200-G202 VanDerWaalsContact C-N 3.28Å; G200-G202 PolarHBondContact O-N 2.8Å
203	G	35.8	Very low	33.1	Very low	66 Å²	66	107.8 Å²	107.8	68%	0.68	82%	0.817	S	S	*	*			trans	-88	103.4	176.3	0	0	0	0	0	111.6	D201	D201-G203 PolarHBondContact O-N 3.16Å
204	G	34.6	Very low	32.4	Very low	84 Å²	84	102 Å²	102	87%	0.866	82%	0.815	S	S	*	*			trans	-82.3	113.4	163.1	0	0	0	0	0	109.8
205	G	29.2	Very low	32	Very low	75 Å²	75	99.5 Å²	99.5	77%	0.773	82%	0.823	S	S	*	*			trans	-152.2	125.7	168.9	0	0	0	0	0	108.5
206	G	31.3	Very low	31.7	Very low	89 Å²	89	96.7 Å²	96.7	92%	0.918	82%	0.816	S	S	*	*			trans	-67.5	148.2	-172.9	0	0	0	0	0	114
207	G	25.3	Very low	32.1	Very low	78 Å²	78	98.1 Å²	98.1	80%	0.804	81%	0.812	S	S	*	*			trans	171.4	116.2	170.2	0	0	0	0	0	110.4
208	G	32.7	Very low	33.2	Very low	92 Å²	92	97.9 Å²	97.9	95%	0.948	81%	0.808	S	S	*	*			trans	-65.6	144.2	-177.7	0	0	0	0	0	113.4
209	G	24.7	Very low	35.9	Very low	77 Å²	77	99.7 Å²	99.7	79%	0.794	80%	0.803	S	S	*	*			trans	-177.3	111.9	171.5	0	0	0	0	0	110.8	G211	G209-G211 PolarHBondContact O-N 3.38Å
210	N	32.8	Very low	38.5	Very low	183 Å²	183	95.1 Å²	95.1	98%	0.979	77%	0.771	S	S	*	*			trans	-60.6	126.1	171.9	-83.7	-18.5	0	0	0	110.4
211	G	25.7	Very low	41.3	Very low	75 Å²	75	92.9 Å²	92.9	77%	0.773	74%	0.743	S	S	*	*			trans	-158.1	103.9	169.5	0	0	0	0	0	109.9	G209	G209-G211 PolarHBondContact O-N 3.38Å
212	A	32.7	Very low	44.1	Very low	113 Å²	113	87.9 Å²	87.9	93%	0.934	72%	0.716	S	S	*	*			trans	-78.3	131.5	177.1	0	0	0	0	0	110.8
213	G	26.8	Very low	46.8	Very low	82 Å²	82	85.1 Å²	85.1	85%	0.845	69%	0.686	S	S	*	*			trans	134.3	108.5	159.9	0	0	0	0	0	115.9
214	G	25.2	Very low	49.6	Very low	79 Å²	79	85.5 Å²	85.5	81%	0.814	67%	0.671	S	S	*	*	S	Bend	trans	128.8	114.1	162.5	0	0	0	0	0	114.2	S216	G214-S216 PolarHBondContact O-N 3.42Å
215	G	28.6	Very low	52.5	Low	86 Å²	86	84.6 Å²	84.6	89%	0.887	65%	0.648	S	S	*	*			trans	-43.4	121	-168.6	0	0	0	0	0	116.8	S217	G215-S217 PolarHBondContact O-N 3.03Å
216	S	31.4	Very low	55.7	Low	97 Å²	97	86.1 Å²	86.1	68%	0.678	63%	0.631	S	S	*	*			trans	-71.9	106.8	178.6	64.5	0	0	0	0	111.5	G214 Q218	G214-S216 PolarHBondContact O-N 3.42Å; S216-Q218 PolarHBondContact O-N 2.9Å; S216-Q218 VanDerWaalsContact O-N 3.15Å
217	S	45	Very low	58.8	Low	116 Å²	116	84.7 Å²	84.7	81%	0.811	61%	0.608	S	S	*	*			trans	-60.7	112.2	152.9	170.9	0	0	0	0	107.2	G215 K219	G215-S217 PolarHBondContact O-N 3.03Å; S217-K219 PolarHBondContact O-N 3.11Å; S217-K219 VanDerWaalsContact O-N 3.09Å
218	Q	60.9	Low	62.2	Low	135 Å²	135	81.8 Å²	81.8	63%	0.631	57%	0.574	S	S	*	*			trans	-66.4	108.7	176.9	-74.5	-106.8	-22.3	0	0	108.6	S216 T431	S216-Q218 PolarHBondContact O-N 2.9Å; S216-Q218 VanDerWaalsContact O-N 3.15Å; Q218-T431 HydrophobicContact CB-CG2 4.3Å; Q218-T431 WeakPolarHBondContact O-CG2 3.38Å
219	K	84.9	Confident	65.3	Low	155 Å²	155	77.5 Å²	77.5	67%	0.674	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-65	135.4	176.5	-172.9	177.3	-177.9	177.6	0	110.3	S217 P221	S217-K219 PolarHBondContact O-N 3.11Å; S217-K219 VanDerWaalsContact O-N 3.09Å; K219-P221 WeakPolarHBondContact O-CD 3.33Å
220	T	91.3	Very high	68.8	Low	18 Å²	18	75.9 Å²	75.9	11%	0.11	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-60.5	123.4	179.8	-57.5	0	0	0	0	111.6	L222 Q434 W540	T220-L222 PolarHBondContact O-N 2.94Å; T220-Q434 HydrophobicContact CG2-CB 3.51Å; T220-Q434 PolarHBondContact OG1-OE1 3.15Å; T220-W540 HydrophobicContact CG2-CD2 4.42Å; T220-W540 HydrophobicContact CG2-CG 4Å
221	P	93.8	Very high	71.9	Confident	29 Å²	29	73.6 Å²	73.6	19%	0.188	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-63.6	131.5	175.3	-20.3	32.2	0	0	0	111.2	K219 F223 Q438	K219-P221 WeakPolarHBondContact O-CD 3.33Å; P221-F223 HydrophobicContact CB-CD2 4.21Å; P221-F223 HydrophobicContact CB-CE2 3.8Å; P221-F223 HydrophobicContact CB-CZ 4.14Å; P221-Q438 WeakPolarHBondContact O-CG 3.34Å
222	L	94.6	Very high	75.3	Confident	56 Å²	56	70.4 Å²	70.4	29%	0.293	44%	0.444	S	S	.	.			trans	-90.9	-14.8	-178.7	-62.3	-177.6	0	0	0	113.9	T220 E224 Q438 M443	T220-L222 PolarHBondContact O-N 2.94Å; L222-E224 HydrophobicContact CB-CG 4.02Å; L222-E224 PolarHBondContact O-N 2.96Å; L222-Q438 HydrophobicContact CD2-CG 4.45Å; L222-Q438 WeakPolarHBondContact O-CG 3.5Å; L222-Q438 PolarHBondContact O-NE2 2.9Å; L222-Q438 VanDerWaalsContact O-NE2 3.13Å; L222-M443 VanDerWaalsContact O-CG 3.29Å; L222-M443 WeakPolarHBondContact O-CG 3.44Å
223	F	96.5	Very high	78.3	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	40%	0.403	C	S	.	.			trans	59.8	29.3	-179.1	-64.9	-85.4	0	0	0	114.3	P221 D228 W229 E232 S435 Q438 K439 M443	P221-F223 HydrophobicContact CB-CD2 4.21Å; P221-F223 HydrophobicContact CB-CE2 3.8Å; P221-F223 HydrophobicContact CB-CZ 4.14Å; F223-D228 HydrophobicContact CD1-CB 4.26Å; F223-W229 HydrophobicContact CB-CZ2 3.91Å; F223-W229 AromaticContact CD1-CD2 3.9Å; F223-W229 HydrophobicContact CD1-CD2 3.9Å; F223-W229 HydrophobicContact CD1-CE3 4.04Å; F223-W229 HydrophobicContact CD1-CG 4.37Å; F223-W229 HydrophobicContact CD1-CH2 4.43Å; F223-W229 HydrophobicContact CD1-CZ2 4.28Å; F223-W229 HydrophobicContact CD1-CZ3 4.31Å; F223-W229 HydrophobicContact CG-CZ2 4.46Å; F223-W229 PolarHBondContact O-NE1 2.97Å; F223-E232 HydrophobicContact CE1-CB 3.76Å; F223-E232 HydrophobicContact CE1-CG 3.99Å; F223-E232 HydrophobicContact CZ-CB 4.29Å; F223-E232 HydrophobicContact CZ-CG 4.28Å; F223-S435 WeakPolarHBondContact CE2-O 3.34Å; F223-S435 WeakPolarHBondContact CE2-OG 3.26Å; F223-Q438 HydrophobicContact CD2-CB 4.46Å; F223-Q438 HydrophobicContact CD2-CG 4.19Å; F223-K439 HydrophobicContact CD1-CG 4.36Å; F223-K439 HydrophobicContact CD2-CB 3.88Å; F223-K439 HydrophobicContact CE1-CB 4.46Å; F223-K439 HydrophobicContact CE1-CD 4Å; F223-K439 HydrophobicContact CE1-CG 4.27Å; F223-K439 HydrophobicContact CE2-CB 3.76Å; F223-K439 HydrophobicContact CE2-CG 4.44Å; F223-K439 HydrophobicContact CG-CB 4.29Å; F223-K439 HydrophobicContact CG-CG 4.48Å; F223-K439 HydrophobicContact CZ-CB 4.07Å; F223-K439 HydrophobicContact CZ-CD 4.04Å; F223-K439 HydrophobicContact CZ-CG 4.31Å; F223-M443 HydrophobicContact CB-CB 4.31Å; F223-M443 HydrophobicContact CB-CG 3.74Å; F223-M443 WeakPolarHBondContact O-CE 3.16Å
224	E	93.7	Very high	81.7	Confident	75 Å²	75	68.6 Å²	68.6	35%	0.35	39%	0.393	S	S	.	.			trans	-94.1	-16.8	-179.9	-61.3	-172.7	149.9	0	0	112.6	L222 D228 Y259 M443 R513	L222-E224 HydrophobicContact CB-CG 4.02Å; L222-E224 PolarHBondContact O-N 2.96Å; E224-D228 PolarHBondContact N-OD2 3.4Å; E224-Y259 WeakPolarHBondContact O-CD2 3.5Å; E224-Y259 WeakPolarHBondContact O-CE2 3.25Å; E224-M443 HydrophobicContact CG-CE 4.06Å; E224-M443 HydrophobicContact CG-SD 4.19Å; E224-R513 IonicContact OE1-CZ 3.13Å; E224-R513 IonicContact OE1-NH1 3.81Å; E224-R513 PolarHBondContact OE1-NH1 2.76Å; E224-R513 IonicContact OE1-NH2 3.31Å; E224-R513 PolarHBondContact OE1-NH2 3.21Å
225	T	95.1	Very high	85.1	Confident	65 Å²	65	69 Å²	69	40%	0.399	37%	0.37	S	S	.	.	S	Bend	trans	-117.5	154.7	-176.3	70.8	0	0	0	0	111.6	S227 D228 W229	T225-S227 PolarHBondContact O-N 3.17Å; T225-D228 PolarHBondContact N-OD2 3.5Å; T225-D228 VanDerWaalsContact N-OD2 3.08Å; T225-D228 WeakPolarHBondContact O-CB 3.42Å; T225-D228 PolarHBondContact O-N 2.89Å; T225-D228 VanDerWaalsContact O-N 3.09Å; T225-D228 PolarHBondContact OG1-N 3.06Å; T225-D228 PolarHBondContact OG1-OD2 3.39Å; T225-W229 VanDerWaalsContact O-CD1 3.31Å
226	Y	96.8	Very high	88.3	Confident	106 Å²	106	65.6 Å²	65.6	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-48.9	-43.1	171.4	-176.7	-77.5	0	0	0	112.3	D228 W229 D230 V243 Y259	Y226-D228 VanDerWaalsContact C-N 3.3Å; Y226-D228 PolarHBondContact O-N 3.11Å; Y226-W229 PolarHBondContact O-N 3.3Å; Y226-D230 HydrophobicContact CD1-CB 4.36Å; Y226-D230 HydrophobicContact CE1-CB 4.16Å; Y226-D230 PolarHBondContact O-N 2.87Å; Y226-V243 HydrophobicContact CD2-CB 3.83Å; Y226-V243 HydrophobicContact CD2-CG1 3.42Å; Y226-V243 VanDerWaalsContact CD2-CG1 3.42Å; Y226-V243 HydrophobicContact CE1-CB 4.19Å; Y226-V243 HydrophobicContact CE1-CG2 4.28Å; Y226-V243 HydrophobicContact CE2-CB 3.46Å; Y226-V243 VanDerWaalsContact CE2-CB 3.46Å; Y226-V243 HydrophobicContact CE2-CG1 3.6Å; Y226-V243 HydrophobicContact CE2-CG2 4.4Å; Y226-V243 HydrophobicContact CG-CB 4.35Å; Y226-V243 HydrophobicContact CG-CG1 3.91Å; Y226-Y259 HydrophobicContact CD2-CD1 4.32Å
227	S	97	Very high	91.4	Very high	60 Å²	60	63.7 Å²	63.7	42%	0.42	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-28.7	-176.6	-66.7	0	0	0	0	113.4	T225 R231	T225-S227 PolarHBondContact O-N 3.17Å; S227-R231 WeakPolarHBondContact O-CB 3.36Å; S227-R231 WeakPolarHBondContact O-CG 3.42Å; S227-R231 PolarHBondContact O-N 3.37Å
228	D	96.5	Very high	93.8	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-46.9	174.9	-66.2	-49.8	0	0	0	111	F223 E224 T225 Y226 R231 E232	F223-D228 HydrophobicContact CD1-CB 4.26Å; E224-D228 PolarHBondContact N-OD2 3.4Å; T225-D228 PolarHBondContact N-OD2 3.5Å; T225-D228 VanDerWaalsContact N-OD2 3.08Å; T225-D228 WeakPolarHBondContact O-CB 3.42Å; T225-D228 PolarHBondContact O-N 2.89Å; T225-D228 VanDerWaalsContact O-N 3.09Å; T225-D228 PolarHBondContact OG1-N 3.06Å; T225-D228 PolarHBondContact OG1-OD2 3.39Å; Y226-D228 VanDerWaalsContact C-N 3.3Å; Y226-D228 PolarHBondContact O-N 3.11Å; D228-R231 PolarHBondContact O-N 3.18Å; D228-R231 IonicContact OD1-CZ 3.75Å; D228-R231 IonicContact OD1-NH2 3.74Å; D228-R231 PolarHBondContact OD1-NH2 3.27Å; D228-E232 PolarHBondContact O-N 3.39Å
229	W	97.8	Very high	95.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-41.3	178.5	-67.4	97.5	0	0	0	112	F223 T225 Y226 R231 E232 I233 V243 P257 Y259 V261 K439 M443	F223-W229 HydrophobicContact CB-CZ2 3.91Å; F223-W229 AromaticContact CD1-CD2 3.9Å; F223-W229 HydrophobicContact CD1-CD2 3.9Å; F223-W229 HydrophobicContact CD1-CE3 4.04Å; F223-W229 HydrophobicContact CD1-CG 4.37Å; F223-W229 HydrophobicContact CD1-CH2 4.43Å; F223-W229 HydrophobicContact CD1-CZ2 4.28Å; F223-W229 HydrophobicContact CD1-CZ3 4.31Å; F223-W229 HydrophobicContact CG-CZ2 4.46Å; F223-W229 PolarHBondContact O-NE1 2.97Å; T225-W229 VanDerWaalsContact O-CD1 3.31Å; Y226-W229 PolarHBondContact O-N 3.3Å; W229-R231 VanDerWaalsContact C-N 3.35Å; W229-R231 PolarHBondContact O-N 2.86Å; W229-E232 PolarHBondContact O-N 3.19Å; W229-I233 WeakPolarHBondContact O-CG1 3.45Å; W229-I233 PolarHBondContact O-N 3.48Å; W229-V243 HydrophobicContact CB-CB 4.48Å; W229-V243 HydrophobicContact CB-CG1 3.97Å; W229-V243 HydrophobicContact CB-CG2 3.69Å; W229-P257 HydrophobicContact CZ2-CG 4.06Å; W229-Y259 PolarHBondContact NE1-O 3.31Å; W229-V261 HydrophobicContact CB-CG2 3.94Å; W229-V261 HydrophobicContact CD2-CG2 4.17Å; W229-V261 HydrophobicContact CE3-CG2 3.64Å; W229-V261 HydrophobicContact CG-CG2 4.34Å; W229-V261 HydrophobicContact CZ3-CG2 4.48Å; W229-K439 HydrophobicContact CH2-CG 3.93Å; W229-K439 HydrophobicContact CZ3-CD 4.15Å; W229-K439 HydrophobicContact CZ3-CG 3.93Å; W229-M443 HydrophobicContact CZ2-CB 4.39Å
230	D	97.5	Very high	95.9	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-39.5	176.5	177.3	66	0	0	0	112.2	Y226 E232 I233 K234 V243	Y226-D230 HydrophobicContact CD1-CB 4.36Å; Y226-D230 HydrophobicContact CE1-CB 4.16Å; Y226-D230 PolarHBondContact O-N 2.87Å; D230-E232 VanDerWaalsContact C-N 3.33Å; D230-E232 PolarHBondContact O-N 3.25Å; D230-I233 PolarHBondContact O-N 3.27Å; D230-K234 WeakPolarHBondContact O-CG 3.32Å; D230-K234 PolarHBondContact O-N 3.38Å; D230-K234 IonicContact OD1-NZ 3.71Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.64Å; D230-K234 PolarHBondContact OD2-NZ 2.87Å; D230-V243 HydrophobicContact CB-CG2 4.02Å
231	R	97.4	Very high	96.2	Very high	136 Å²	136	50.3 Å²	50.3	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-41	173	-80.6	-171.9	-69	-92.5	4.9	112.4	S227 D228 W229 K234 R235	S227-R231 WeakPolarHBondContact O-CB 3.36Å; S227-R231 WeakPolarHBondContact O-CG 3.42Å; S227-R231 PolarHBondContact O-N 3.37Å; D228-R231 PolarHBondContact O-N 3.18Å; D228-R231 IonicContact OD1-CZ 3.75Å; D228-R231 IonicContact OD1-NH2 3.74Å; D228-R231 PolarHBondContact OD1-NH2 3.27Å; W229-R231 VanDerWaalsContact C-N 3.35Å; W229-R231 PolarHBondContact O-N 2.86Å; R231-K234 PolarHBondContact O-N 3.47Å; R231-R235 WeakPolarHBondContact O-CB 3.39Å; R231-R235 PolarHBondContact O-N 3.39Å
232	E	97.2	Very high	96.4	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-37.2	179.4	-179	63.7	178.2	0	0	112.4	F223 D228 W229 D230 K234 R235 T236 W286 F427 K439	F223-E232 HydrophobicContact CE1-CB 3.76Å; F223-E232 HydrophobicContact CE1-CG 3.99Å; F223-E232 HydrophobicContact CZ-CB 4.29Å; F223-E232 HydrophobicContact CZ-CG 4.28Å; D228-E232 PolarHBondContact O-N 3.39Å; W229-E232 PolarHBondContact O-N 3.19Å; D230-E232 VanDerWaalsContact C-N 3.33Å; D230-E232 PolarHBondContact O-N 3.25Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.26Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-R235 IonicContact OE1-CZ 3.53Å; E232-R235 IonicContact OE1-NE 2.73Å; E232-R235 IonicContact OE1-NH2 3.49Å; E232-R235 PolarHBondContact OE1-NH2 2.72Å; E232-R235 IonicContact OE2-CZ 3.57Å; E232-R235 IonicContact OE2-NE 2.84Å; E232-R235 PolarHBondContact OE2-NE 2.88Å; E232-R235 IonicContact OE2-NH2 3.8Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; E232-T236 WeakPolarHBondContact O-CG2 3.48Å; E232-T236 PolarHBondContact O-N 3.49Å; E232-T236 VanDerWaalsContact O-N 3.08Å; E232-T236 PolarHBondContact O-OG1 2.99Å; E232-W286 HydrophobicContact CG-CH2 3.91Å; E232-W286 HydrophobicContact CG-CZ3 3.91Å; E232-F427 WeakPolarHBondContact OE1-CZ 3.47Å; E232-K439 HydrophobicContact CG-CD 4.38Å; E232-K439 IonicContact OE1-NZ 2.72Å; E232-K439 PolarHBondContact OE1-NZ 2.64Å; E232-K439 VanDerWaalsContact OE1-NZ 3.11Å
233	I	97.3	Very high	96.6	Very high	14 Å²	14	49.5 Å²	49.5	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-47.8	169.7	-71.2	173	0	0	0	110.3	W229 D230 T236 G237 A238 V243 V261 W286	W229-I233 WeakPolarHBondContact O-CG1 3.45Å; W229-I233 PolarHBondContact O-N 3.48Å; D230-I233 PolarHBondContact O-N 3.27Å; I233-T236 PolarHBondContact O-N 2.91Å; I233-T236 PolarHBondContact O-OG1 2.96Å; I233-G237 PolarHBondContact O-N 2.78Å; I233-A238 HydrophobicContact CG2-CB 4.14Å; I233-A238 PolarHBondContact O-N 3.07Å; I233-V243 HydrophobicContact CD1-CG2 3.68Å; I233-V261 HydrophobicContact CD1-CB 4.41Å; I233-V261 HydrophobicContact CD1-CG1 3.63Å; I233-V261 HydrophobicContact CD1-CG2 3.84Å; I233-V261 HydrophobicContact CG1-CG1 3.95Å; I233-V261 HydrophobicContact CG1-CG2 4.21Å; I233-W286 HydrophobicContact CG1-CH2 4.38Å; I233-W286 HydrophobicContact CG1-CZ3 4.29Å
234	K	97.3	Very high	96.6	Very high	143 Å²	143	49.4 Å²	49.4	62%	0.622	26%	0.26	S	S	*	.	H	α-helix	trans	-64.2	-41.6	178.7	-73.3	168.5	178.8	168	0	112.2	D230 R231 E232 T236 G237	D230-K234 WeakPolarHBondContact O-CG 3.32Å; D230-K234 PolarHBondContact O-N 3.38Å; D230-K234 IonicContact OD1-NZ 3.71Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.64Å; D230-K234 PolarHBondContact OD2-NZ 2.87Å; R231-K234 PolarHBondContact O-N 3.47Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 3.26Å; K234-T236 VanDerWaalsContact C-N 3.3Å; K234-T236 PolarHBondContact O-N 2.82Å; K234-G237 PolarHBondContact O-N 3.05Å
235	R	96.9	Very high	96.7	Very high	87 Å²	87	48.2 Å²	48.2	33%	0.328	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-39.2	178.4	-170.1	-167.5	67.5	77.1	-2.4	112.1	R231 E232 D424	R231-R235 WeakPolarHBondContact O-CB 3.39Å; R231-R235 PolarHBondContact O-N 3.39Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-R235 IonicContact OE1-CZ 3.53Å; E232-R235 IonicContact OE1-NE 2.73Å; E232-R235 IonicContact OE1-NH2 3.49Å; E232-R235 PolarHBondContact OE1-NH2 2.72Å; E232-R235 IonicContact OE2-CZ 3.57Å; E232-R235 IonicContact OE2-NE 2.84Å; E232-R235 PolarHBondContact OE2-NE 2.88Å; E232-R235 IonicContact OE2-NH2 3.8Å; E232-R235 PolarHBondContact OE2-NH2 3.36Å; R235-D424 IonicContact CZ-OD2 3.66Å; R235-D424 VanDerWaalsContact CZ-OD2 3.31Å; R235-D424 IonicContact NH1-OD1 2.73Å; R235-D424 IonicContact NH1-OD2 3.31Å; R235-D424 PolarHBondContact NH1-OD2 2.82Å; R235-D424 IonicContact NH2-OD2 2.81Å; R235-D424 PolarHBondContact NH2-OD2 3.16Å
236	T	96.4	Very high	96.8	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-89.9	-8.1	-178.2	55.3	0	0	0	0	113.6	E232 I233 K234 A238 W286	E232-T236 WeakPolarHBondContact O-CG2 3.48Å; E232-T236 PolarHBondContact O-N 3.49Å; E232-T236 VanDerWaalsContact O-N 3.08Å; E232-T236 PolarHBondContact O-OG1 2.99Å; I233-T236 PolarHBondContact O-N 2.91Å; I233-T236 PolarHBondContact O-OG1 2.96Å; K234-T236 VanDerWaalsContact C-N 3.3Å; K234-T236 PolarHBondContact O-N 2.82Å; T236-A238 VanDerWaalsContact C-N 3.32Å; T236-W286 HydrophobicContact CG2-CH2 4.24Å; T236-W286 HydrophobicContact CG2-CZ2 4.37Å; T236-W286 WeakPolarHBondContact OG1-CH2 3.45Å; T236-W286 VanDerWaalsContact OG1-CZ2 3.3Å; T236-W286 WeakPolarHBondContact OG1-CZ2 3.25Å
237	G	95.8	Very high	96.7	Very high	56 Å²	56	40.8 Å²	40.8	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	23.9	-178.3	0	0	0	0	0	114.1	I233 K234 S239	I233-G237 PolarHBondContact O-N 2.78Å; K234-G237 PolarHBondContact O-N 3.05Å; G237-S239 PolarHBondContact O-N 2.79Å
238	A	96	Very high	96.7	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.041	23%	0.225	C	C	.	.			trans	-76.6	59.6	-173.3	0	0	0	0	0	113.6	I233 T236 G240 W241 W286	I233-A238 HydrophobicContact CG2-CB 4.14Å; I233-A238 PolarHBondContact O-N 3.07Å; T236-A238 VanDerWaalsContact C-N 3.32Å; A238-G240 VanDerWaalsContact C-N 3.28Å; A238-G240 PolarHBondContact O-N 2.98Å; A238-W241 HydrophobicContact CB-CB 4.29Å; A238-W241 HydrophobicContact CB-CG 4.28Å; A238-W241 WeakPolarHBondContact O-CB 3.44Å; A238-W241 PolarHBondContact O-N 3.26Å; A238-W286 HydrophobicContact CB-CZ2 3.72Å
239	S	92.2	Very high	96.6	Very high	108 Å²	108	43.7 Å²	43.7	76%	0.755	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	-171.5	62.1	0	0	0	0	115.5	G237 W241	G237-S239 PolarHBondContact O-N 2.79Å; S239-W241 PolarHBondContact O-N 3.34Å
240	G	96.8	Very high	96.5	Very high	18 Å²	18	44.6 Å²	44.6	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	4.6	174	0	0	0	0	0	115	A238 S264 S322	A238-G240 VanDerWaalsContact C-N 3.28Å; A238-G240 PolarHBondContact O-N 2.98Å; G240-S264 PolarHBondContact O-N 3.42Å; G240-S264 PolarHBondContact O-OG 2.99Å; G240-S322 VanDerWaalsContact O-CB 3.26Å; G240-S322 WeakPolarHBondContact O-CB 3.21Å
241	W	98.4	Very high	96.3	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.045	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.3	-173.9	-60.1	82.3	0	0	0	111.3	A238 S239 V261 V262 P263 S264 W286 A295 V297 I319 S322	A238-W241 HydrophobicContact CB-CB 4.29Å; A238-W241 HydrophobicContact CB-CG 4.28Å; A238-W241 WeakPolarHBondContact O-CB 3.44Å; A238-W241 PolarHBondContact O-N 3.26Å; S239-W241 PolarHBondContact O-N 3.34Å; W241-V261 HydrophobicContact CB-CG1 3.86Å; W241-V261 HydrophobicContact CE3-CG1 4.32Å; W241-V262 WeakPolarHBondContact CA-O 3.43Å; W241-P263 HydrophobicContact CE3-CG 4.08Å; W241-P263 HydrophobicContact CH2-CG 3.77Å; W241-P263 HydrophobicContact CZ2-CG 4.46Å; W241-P263 HydrophobicContact CZ3-CB 4.46Å; W241-P263 HydrophobicContact CZ3-CG 3.56Å; W241-S264 VanDerWaalsContact C-OG 3.27Å; W241-S264 PolarHBondContact N-OG 3.02Å; W241-S264 PolarHBondContact O-OG 2.95Å; W241-W286 HydrophobicContact CD2-CB 4.25Å; W241-W286 AromaticContact CD2-CD1 3.37Å; W241-W286 AromaticContact CD2-CG 3.95Å; W241-W286 HydrophobicContact CD2-CG 3.95Å; W241-W286 AromaticContact CE2-CD1 3.54Å; W241-W286 HydrophobicContact CE3-CB 3.5Å; W241-W286 AromaticContact CE3-CD1 3.51Å; W241-W286 AromaticContact CE3-CG 3.7Å; W241-W286 HydrophobicContact CE3-CG 3.7Å; W241-W286 AromaticContact CG-CD1 3.92Å; W241-W286 HydrophobicContact CG-CG 4.45Å; W241-W286 HydrophobicContact CH2-CB 4.4Å; W241-W286 AromaticContact CZ2-CD1 3.89Å; W241-W286 HydrophobicContact CZ3-CB 3.57Å; W241-W286 AromaticContact CZ3-CD1 3.81Å; W241-W286 HydrophobicContact CZ3-CG 4.05Å; W241-A295 HydrophobicContact CH2-CB 4.29Å; W241-A295 HydrophobicContact CZ2-CB 3.36Å; W241-V297 HydrophobicContact CH2-CG2 3.47Å; W241-V297 VanDerWaalsContact CH2-CG2 3.47Å; W241-V297 HydrophobicContact CZ2-CG2 4.12Å; W241-V297 HydrophobicContact CZ3-CG2 4.3Å; W241-I319 HydrophobicContact CH2-CG1 4.1Å; W241-I319 HydrophobicContact CZ2-CG2 4.41Å; W241-S322 VanDerWaalsContact CE2-OG 3.3Å; W241-S322 VanDerWaalsContact CZ2-OG 3.26Å; W241-S322 WeakPolarHBondContact CZ2-OG 3.41Å; W241-S322 PolarHBondContact NE1-OG 3.3Å
242	R	98.1	Very high	96.1	Very high	62 Å²	62	44 Å²	44	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150	179.1	67.6	178.5	-179.1	85.8	2.6	111.7	V261 V262 L266 D268	R242-V261 WeakPolarHBondContact O-CA 3.26Å; R242-V262 HydrophobicContact CG-CG2 4.07Å; R242-V262 PolarHBondContact N-O 3Å; R242-V262 PolarHBondContact O-N 3.09Å; R242-L266 PolarHBondContact NH2-O 3.47Å; R242-D268 IonicContact CZ-OD1 2.83Å; R242-D268 VanDerWaalsContact CZ-OD1 3.3Å; R242-D268 IonicContact NH1-OD1 2.99Å; R242-D268 PolarHBondContact NH1-OD1 3.14Å; R242-D268 IonicContact NH2-OD1 3.3Å; R242-D268 PolarHBondContact NH2-OD1 2.82Å
243	V	98.1	Very high	96	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.9	166	-170.1	0	0	0	0	108.9	Y226 W229 D230 I233 V261	Y226-V243 HydrophobicContact CD2-CB 3.83Å; Y226-V243 HydrophobicContact CD2-CG1 3.42Å; Y226-V243 VanDerWaalsContact CD2-CG1 3.42Å; Y226-V243 HydrophobicContact CE1-CB 4.19Å; Y226-V243 HydrophobicContact CE1-CG2 4.28Å; Y226-V243 HydrophobicContact CE2-CB 3.46Å; Y226-V243 VanDerWaalsContact CE2-CB 3.46Å; Y226-V243 HydrophobicContact CE2-CG1 3.6Å; Y226-V243 HydrophobicContact CE2-CG2 4.4Å; Y226-V243 HydrophobicContact CG-CB 4.35Å; Y226-V243 HydrophobicContact CG-CG1 3.91Å; W229-V243 HydrophobicContact CB-CB 4.48Å; W229-V243 HydrophobicContact CB-CG1 3.97Å; W229-V243 HydrophobicContact CB-CG2 3.69Å; D230-V243 HydrophobicContact CB-CG2 4.02Å; I233-V243 HydrophobicContact CD1-CG2 3.68Å; V243-V261 HydrophobicContact CG2-CG2 4.31Å
244	C	96.7	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.7	-178.2	175.8	0	0	0	0	108.8	I246 Y259 I260 V262 D268	C244-I246 VanDerWaalsContact SG-CB 3.51Å; C244-I246 WeakPolarHBondContact SG-CG2 3.46Å; C244-Y259 WeakPolarHBondContact O-CA 2.94Å; C244-I260 HydrophobicContact CB-CG1 4.11Å; C244-I260 PolarHBondContact N-O 3.28Å; C244-I260 PolarHBondContact O-N 2.99Å; C244-I260 VanDerWaalsContact O-N 3.1Å; C244-V262 HydrophobicContact CB-CG1 4.37Å; C244-V262 HydrophobicContact CB-CG2 3.73Å; C244-D268 PolarHBondContact SG-OD1 3.5Å
245	S	96.6	Very high	95.7	Very high	49 Å²	49	40.5 Å²	40.5	34%	0.343	24%	0.243	S	C	.	.			trans	-97.9	15.5	179.6	54.3	0	0	0	0	112.8	N247 E248	S245-N247 PolarHBondContact O-N 3.3Å; S245-N247 VanDerWaalsContact O-N 3.07Å; S245-E248 VanDerWaalsContact O-CB 3.25Å; S245-E248 WeakPolarHBondContact O-CB 3.45Å; S245-E248 PolarHBondContact O-N 3.18Å
246	I	95.4	Very high	95.6	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.077	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25	-176.3	-158.2	175.5	0	0	0	113.4	C244 I252 D268 L271 K272 M283	C244-I246 VanDerWaalsContact SG-CB 3.51Å; C244-I246 WeakPolarHBondContact SG-CG2 3.46Å; I246-I252 HydrophobicContact CG1-CD1 4.45Å; I246-I252 HydrophobicContact CG1-CG1 4.11Å; I246-I252 HydrophobicContact CG2-CG1 4.4Å; I246-I252 VanDerWaalsContact O-CG1 3.25Å; I246-I252 WeakPolarHBondContact O-CG1 3.48Å; I246-D268 HydrophobicContact CD1-CB 3.83Å; I246-D268 WeakPolarHBondContact CD1-O 3.31Å; I246-D268 HydrophobicContact CG1-CB 4.33Å; I246-L271 HydrophobicContact CD1-CB 3.92Å; I246-K272 HydrophobicContact CD1-CB 4.08Å; I246-K272 HydrophobicContact CD1-CD 3.84Å; I246-K272 HydrophobicContact CD1-CG 3.53Å; I246-K272 HydrophobicContact CG1-CD 4.12Å; I246-K272 HydrophobicContact CG1-CG 4.04Å; I246-M283 HydrophobicContact CG2-SD 4.44Å
247	N	96.5	Very high	95.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.1	179.7	-162	45.1	0	0	0	113	S245 G249 Y250 I252 S253 L256 P257 E258	S245-N247 PolarHBondContact O-N 3.3Å; S245-N247 VanDerWaalsContact O-N 3.07Å; N247-G249 PolarHBondContact O-N 2.92Å; N247-Y250 WeakPolarHBondContact O-CA 3.4Å; N247-Y250 PolarHBondContact O-N 3.16Å; N247-I252 HydrophobicContact CB-CB 4.43Å; N247-I252 WeakPolarHBondContact OD1-CA 3.45Å; N247-I252 WeakPolarHBondContact OD1-CB 3.4Å; N247-I252 PolarHBondContact OD1-N 2.86Å; N247-S253 PolarHBondContact ND2-O 3.2Å; N247-S253 PolarHBondContact OD1-N 2.87Å; N247-S253 PolarHBondContact OD1-O 2.63Å; N247-L256 PolarHBondContact ND2-O 3.22Å; N247-P257 PolarHBondContact ND2-O 3.26Å; N247-E258 CarbonylContact C-O 3.22Å; N247-E258 VanDerWaalsContact C-O 3.22Å; N247-E258 WeakPolarHBondContact O-CA 3.49Å
248	E	95.8	Very high	95.5	Very high	91 Å²	91	34.2 Å²	34.2	43%	0.425	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-56.6	136.5	171.7	-173.7	162.3	-141.4	0	0	110.2	S245 Y250 M251 E258 Y259	S245-E248 VanDerWaalsContact O-CB 3.25Å; S245-E248 WeakPolarHBondContact O-CB 3.45Å; S245-E248 PolarHBondContact O-N 3.18Å; E248-Y250 PolarHBondContact O-N 3.1Å; E248-M251 VanDerWaalsContact O-CG 3.27Å; E248-M251 WeakPolarHBondContact O-CG 3.22Å; E248-E258 PolarHBondContact N-O 2.98Å; E248-Y259 PolarHBondContact OE1-OH 3.47Å
249	G	94.3	Very high	95.6	Very high	46 Å²	46	35.2 Å²	35.2	47%	0.474	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	66.3	12.3	-168.9	0	0	0	0	0	114.6	N247 M251 E258	N247-G249 PolarHBondContact O-N 2.92Å; G249-M251 PolarHBondContact O-N 3.33Å; G249-E258 PolarHBondContact N-OE1 3.42Å
250	Y	95.4	Very high	95.7	Very high	22 Å²	22	30.1 Å²	30.1	9%	0.086	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	58.4	29.9	-177.2	-51.3	-80.3	0	0	0	114.4	N247 E248 I252 L256 E258 P510 H511 V514	N247-Y250 WeakPolarHBondContact O-CA 3.4Å; N247-Y250 PolarHBondContact O-N 3.16Å; E248-Y250 PolarHBondContact O-N 3.1Å; Y250-I252 PolarHBondContact O-N 3.36Å; Y250-L256 WeakPolarHBondContact CD1-O 3.49Å; Y250-L256 WeakPolarHBondContact CE1-O 3.31Å; Y250-E258 HydrophobicContact CD1-CG 4.35Å; Y250-E258 HydrophobicContact CD2-CG 4.38Å; Y250-E258 HydrophobicContact CE1-CG 3.92Å; Y250-E258 HydrophobicContact CE2-CG 3.93Å; Y250-P510 HydrophobicContact CE1-CB 4.11Å; Y250-P510 VanDerWaalsContact OH-CB 3.3Å; Y250-P510 WeakPolarHBondContact OH-CB 3.49Å; Y250-P510 PolarHBondContact OH-O 3.36Å; Y250-H511 HydrophobicContact CD1-CB 3.64Å; Y250-H511 HydrophobicContact CD2-CB 4.05Å; Y250-H511 AromaticContact CD2-CD2 3.67Å; Y250-H511 HydrophobicContact CE1-CB 3.74Å; Y250-H511 HydrophobicContact CE2-CB 4.16Å; Y250-H511 HydrophobicContact CG-CB 3.79Å; Y250-H511 AromaticContact CG-CD2 3.57Å; Y250-H511 PolarHBondContact OH-N 3.3Å; Y250-V514 HydrophobicContact CE2-CB 4.33Å; Y250-V514 HydrophobicContact CE2-CG2 4.13Å
251	M	93.3	Very high	95.8	Very high	147 Å²	147	29.2 Å²	29.2	72%	0.724	16%	0.16	S	C	*	.	S	Bend	trans	-64.3	-23.2	-174.4	-66.4	-60.9	-65	0	0	114	E248 G249	E248-M251 VanDerWaalsContact O-CG 3.27Å; E248-M251 WeakPolarHBondContact O-CG 3.22Å; G249-M251 PolarHBondContact O-N 3.33Å
252	I	94.4	Very high	95.8	Very high	17 Å²	17	28.7 Å²	28.7	9%	0.087	16%	0.158	C	C	.	.	S	Bend	trans	-101.7	-52.3	-177.8	-58.6	-61.2	0	0	0	111.1	I246 N247 Y250 K272 S275 R281 M283	I246-I252 HydrophobicContact CG1-CD1 4.45Å; I246-I252 HydrophobicContact CG1-CG1 4.11Å; I246-I252 HydrophobicContact CG2-CG1 4.4Å; I246-I252 VanDerWaalsContact O-CG1 3.25Å; I246-I252 WeakPolarHBondContact O-CG1 3.48Å; N247-I252 HydrophobicContact CB-CB 4.43Å; N247-I252 WeakPolarHBondContact OD1-CA 3.45Å; N247-I252 WeakPolarHBondContact OD1-CB 3.4Å; N247-I252 PolarHBondContact OD1-N 2.86Å; Y250-I252 PolarHBondContact O-N 3.36Å; I252-K272 HydrophobicContact CD1-CG 3.6Å; I252-S275 VanDerWaalsContact CG2-CB 3.48Å; I252-R281 WeakPolarHBondContact O-CD 3.34Å; I252-R281 PolarHBondContact O-NH1 3.12Å; I252-M283 HydrophobicContact CG2-CE 3.96Å
253	S	95.2	Very high	95.8	Very high	4 Å²	4	26 Å²	26	3%	0.028	15%	0.148	C	C	.	.			trans	-142	126.9	-178.2	179.7	0	0	0	0	111.2	N247 C255 L256 G280	N247-S253 PolarHBondContact ND2-O 3.2Å; N247-S253 PolarHBondContact OD1-N 2.87Å; N247-S253 PolarHBondContact OD1-O 2.63Å; S253-C255 PolarHBondContact O-N 2.82Å; S253-C255 PolarHBondContact OG-N 3.3Å; S253-C255 VanDerWaalsContact OG-N 3.15Å; S253-L256 PolarHBondContact OG-N 2.85Å; S253-G280 PolarHBondContact OG-O 3.47Å
254	T	95.2	Very high	95.7	Very high	69 Å²	69	28.4 Å²	28.4	42%	0.423	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.5	171.6	58.9	0	0	0	0	113.1	S509 H511	T254-S509 PolarHBondContact O-OG 3.42Å; T254-H511 VanDerWaalsContact O-CB 3.25Å; T254-H511 WeakPolarHBondContact O-CB 3.49Å
255	C	92	Very high	95.8	Very high	20 Å²	20	31 Å²	31	14%	0.135	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-22.2	178.7	-58.7	0	0	0	0	112	S253 R282	S253-C255 PolarHBondContact O-N 2.82Å; S253-C255 PolarHBondContact OG-N 3.3Å; S253-C255 VanDerWaalsContact OG-N 3.15Å; C255-R282 VanDerWaalsContact C-NH1 3.31Å; C255-R282 HydrophobicContact CB-CG 3.92Å; C255-R282 PolarHBondContact O-NH1 3.39Å
256	L	94.4	Very high	95.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-92.2	159.4	177.6	-73.2	174.3	0	0	0	111.7	N247 Y250 S253 I260 R282 M283	N247-L256 PolarHBondContact ND2-O 3.22Å; Y250-L256 WeakPolarHBondContact CD1-O 3.49Å; Y250-L256 WeakPolarHBondContact CE1-O 3.31Å; S253-L256 PolarHBondContact OG-N 2.85Å; L256-I260 HydrophobicContact CB-CG2 4.32Å; L256-I260 HydrophobicContact CD1-CD1 4.49Å; L256-I260 HydrophobicContact CD1-CG2 4.47Å; L256-I260 HydrophobicContact CD2-CG2 4.43Å; L256-R282 HydrophobicContact CD2-CG 4.29Å; L256-R282 HydrophobicContact CG-CG 4.14Å; L256-M283 HydrophobicContact CD1-CG 3.72Å
257	P	95.4	Very high	95.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.185	C	C	.	.			trans	-67.8	164.4	168.3	30.1	-33.4	0	0	0	111.2	W229 N247 Y259 I260 M443	W229-P257 HydrophobicContact CZ2-CG 4.06Å; N247-P257 PolarHBondContact ND2-O 3.26Å; P257-Y259 VanDerWaalsContact C-N 3.26Å; P257-Y259 WeakPolarHBondContact CG-O 3.36Å; P257-Y259 PolarHBondContact O-N 2.98Å; P257-I260 HydrophobicContact CG-CG2 3.81Å; P257-M443 HydrophobicContact CB-CB 4.47Å; P257-M443 HydrophobicContact CB-CE 3.96Å; P257-M443 VanDerWaalsContact CD-O 3.29Å; P257-M443 WeakPolarHBondContact CD-O 3.16Å
258	E	95.6	Very high	95.6	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.103	20%	0.199	C	C	.	.	S	Bend	trans	-60.7	-37.1	178.1	-71.1	-168	93.3	0	0	112.4	N247 E248 G249 Y250 K532	N247-E258 CarbonylContact C-O 3.22Å; N247-E258 VanDerWaalsContact C-O 3.22Å; N247-E258 WeakPolarHBondContact O-CA 3.49Å; E248-E258 PolarHBondContact N-O 2.98Å; G249-E258 PolarHBondContact N-OE1 3.42Å; Y250-E258 HydrophobicContact CD1-CG 4.35Å; Y250-E258 HydrophobicContact CD2-CG 4.38Å; Y250-E258 HydrophobicContact CE1-CG 3.92Å; Y250-E258 HydrophobicContact CE2-CG 3.93Å; E258-K532 IonicContact OE1-NZ 2.62Å; E258-K532 PolarHBondContact OE1-NZ 2.83Å; E258-K532 IonicContact OE2-NZ 3.29Å; E258-K532 PolarHBondContact OE2-NZ 3.34Å
259	Y	96.9	Very high	95.5	Very high	27 Å²	27	35.8 Å²	35.8	11%	0.106	21%	0.211	C	C	.	.	S	Bend	trans	-114.3	128.7	177.5	-52	-73.9	0	0	0	109.5	E224 Y226 W229 C244 E248 P257	E224-Y259 WeakPolarHBondContact O-CD2 3.5Å; E224-Y259 WeakPolarHBondContact O-CE2 3.25Å; Y226-Y259 HydrophobicContact CD2-CD1 4.32Å; W229-Y259 PolarHBondContact NE1-O 3.31Å; C244-Y259 WeakPolarHBondContact O-CA 2.94Å; E248-Y259 PolarHBondContact OE1-OH 3.47Å; P257-Y259 VanDerWaalsContact C-N 3.26Å; P257-Y259 WeakPolarHBondContact CG-O 3.36Å; P257-Y259 PolarHBondContact O-N 2.98Å
260	I	96.1	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.4	176	58.4	172.3	0	0	0	109.6	C244 L256 P257 V262 M283 L285	C244-I260 HydrophobicContact CB-CG1 4.11Å; C244-I260 PolarHBondContact N-O 3.28Å; C244-I260 PolarHBondContact O-N 2.99Å; C244-I260 VanDerWaalsContact O-N 3.1Å; L256-I260 HydrophobicContact CB-CG2 4.32Å; L256-I260 HydrophobicContact CD1-CD1 4.49Å; L256-I260 HydrophobicContact CD1-CG2 4.47Å; L256-I260 HydrophobicContact CD2-CG2 4.43Å; P257-I260 HydrophobicContact CG-CG2 3.81Å; I260-V262 HydrophobicContact CD1-CG1 3.91Å; I260-V262 HydrophobicContact CG1-CG1 4.13Å; I260-M283 HydrophobicContact CD1-CG 4.01Å; I260-M283 HydrophobicContact CD1-SD 3.63Å; I260-L285 HydrophobicContact CB-CD1 3.78Å; I260-L285 HydrophobicContact CG2-CD1 3.81Å
261	V	98.2	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.7	175.9	177.6	0	0	0	0	109.9	W229 I233 W241 R242 V243 W286	W229-V261 HydrophobicContact CB-CG2 3.94Å; W229-V261 HydrophobicContact CD2-CG2 4.17Å; W229-V261 HydrophobicContact CE3-CG2 3.64Å; W229-V261 HydrophobicContact CG-CG2 4.34Å; W229-V261 HydrophobicContact CZ3-CG2 4.48Å; I233-V261 HydrophobicContact CD1-CB 4.41Å; I233-V261 HydrophobicContact CD1-CG1 3.63Å; I233-V261 HydrophobicContact CD1-CG2 3.84Å; I233-V261 HydrophobicContact CG1-CG1 3.95Å; I233-V261 HydrophobicContact CG1-CG2 4.21Å; W241-V261 HydrophobicContact CB-CG1 3.86Å; W241-V261 HydrophobicContact CE3-CG1 4.32Å; R242-V261 WeakPolarHBondContact O-CA 3.26Å; V243-V261 HydrophobicContact CG2-CG2 4.31Å; V261-W286 HydrophobicContact CB-CB 3.81Å; V261-W286 HydrophobicContact CB-CD2 4.22Å; V261-W286 HydrophobicContact CB-CE3 3.75Å; V261-W286 HydrophobicContact CB-CG 4.3Å; V261-W286 HydrophobicContact CG1-CB 3.66Å; V261-W286 HydrophobicContact CG1-CD2 3.75Å; V261-W286 HydrophobicContact CG1-CE3 3.67Å; V261-W286 HydrophobicContact CG1-CG 3.8Å; V261-W286 HydrophobicContact CG2-CE3 4.09Å; V261-W286 VanDerWaalsContact O-CB 3.29Å; V261-W286 WeakPolarHBondContact O-CB 3.35Å; V261-W286 PolarHBondContact O-N 2.93Å
262	V	97.8	Very high	95.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.3	-173.1	-59.9	0	0	0	0	110.6	W241 R242 C244 I260 S264 L271	W241-V262 WeakPolarHBondContact CA-O 3.43Å; R242-V262 HydrophobicContact CG-CG2 4.07Å; R242-V262 PolarHBondContact N-O 3Å; R242-V262 PolarHBondContact O-N 3.09Å; C244-V262 HydrophobicContact CB-CG1 4.37Å; C244-V262 HydrophobicContact CB-CG2 3.73Å; I260-V262 HydrophobicContact CD1-CG1 3.91Å; I260-V262 HydrophobicContact CG1-CG1 4.13Å; V262-S264 PolarHBondContact O-N 3.23Å; V262-L271 HydrophobicContact CB-CD1 4.28Å; V262-L271 HydrophobicContact CG1-CD1 4.05Å; V262-L271 HydrophobicContact CG2-CD1 3.97Å
263	P	98.1	Very high	95.2	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135.7	174.5	-22.3	32.8	0	0	0	111.3	W241 S265 L266 A318 I319	W241-P263 HydrophobicContact CE3-CG 4.08Å; W241-P263 HydrophobicContact CH2-CG 3.77Å; W241-P263 HydrophobicContact CZ2-CG 4.46Å; W241-P263 HydrophobicContact CZ3-CB 4.46Å; W241-P263 HydrophobicContact CZ3-CG 3.56Å; P263-S265 PolarHBondContact O-N 3.23Å; P263-L266 HydrophobicContact CB-CG 4.45Å; P263-L266 HydrophobicContact CG-CD1 4.21Å; P263-L266 PolarHBondContact O-N 2.98Å; P263-A318 HydrophobicContact CB-CB 3.97Å; P263-A318 HydrophobicContact CG-CB 4.11Å; P263-I319 HydrophobicContact CG-CG1 4.17Å
264	S	97.4	Very high	95	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.2	-177.9	-62.5	0	0	0	0	113.3	G240 W241 V262	G240-S264 PolarHBondContact O-N 3.42Å; G240-S264 PolarHBondContact O-OG 2.99Å; W241-S264 VanDerWaalsContact C-OG 3.27Å; W241-S264 PolarHBondContact N-OG 3.02Å; W241-S264 PolarHBondContact O-OG 2.95Å; V262-S264 PolarHBondContact O-N 3.23Å
265	S	96.9	Very high	95	Very high	56 Å²	56	34.6 Å²	34.6	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.1	177	63.7	0	0	0	0	115.2	P263 A318	P263-S265 PolarHBondContact O-N 3.23Å; S265-A318 WeakPolarHBondContact OG-CB 3.44Å
266	L	95.8	Very high	95	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	-87.9	124.4	173	-70	-177.8	0	0	0	109.4	R242 P263 L271 R314 A318	R242-L266 PolarHBondContact NH2-O 3.47Å; P263-L266 HydrophobicContact CB-CG 4.45Å; P263-L266 HydrophobicContact CG-CD1 4.21Å; P263-L266 PolarHBondContact O-N 2.98Å; L266-L271 HydrophobicContact CB-CD2 4.47Å; L266-L271 HydrophobicContact CB-CG 4.41Å; L266-L271 HydrophobicContact CD1-CD2 3.99Å; L266-R314 HydrophobicContact CD2-CG 4.37Å; L266-A318 HydrophobicContact CD1-CB 4.04Å; L266-A318 HydrophobicContact CD2-CB 3.58Å; L266-A318 HydrophobicContact CG-CB 3.53Å
267	A	94.9	Very high	95	Very high	51 Å²	51	38.6 Å²	38.6	42%	0.421	21%	0.205	S	C	.	.			trans	-78.4	150.6	174.4	0	0	0	0	0	111.1	Q269 D270 L271	A267-Q269 PolarHBondContact O-N 3.48Å; A267-D270 WeakPolarHBondContact O-CB 3.38Å; A267-D270 PolarHBondContact O-N 3.39Å; A267-D270 VanDerWaalsContact O-N 3.17Å; A267-L271 PolarHBondContact O-N 3.36Å; A267-L271 VanDerWaalsContact O-N 3.13Å
268	D	95	Very high	95	Very high	54 Å²	54	38.6 Å²	38.6	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-60.5	-35.3	176.7	-71.7	-8.4	0	0	0	111.6	R242 C244 I246 D270 L271 K272	R242-D268 IonicContact CZ-OD1 2.83Å; R242-D268 VanDerWaalsContact CZ-OD1 3.3Å; R242-D268 IonicContact NH1-OD1 2.99Å; R242-D268 PolarHBondContact NH1-OD1 3.14Å; R242-D268 IonicContact NH2-OD1 3.3Å; R242-D268 PolarHBondContact NH2-OD1 2.82Å; C244-D268 PolarHBondContact SG-OD1 3.5Å; I246-D268 HydrophobicContact CD1-CB 3.83Å; I246-D268 WeakPolarHBondContact CD1-O 3.31Å; I246-D268 HydrophobicContact CG1-CB 4.33Å; D268-D270 VanDerWaalsContact C-N 3.35Å; D268-D270 PolarHBondContact O-N 3.47Å; D268-L271 PolarHBondContact O-N 3.15Å; D268-K272 PolarHBondContact O-N 2.95Å
269	Q	94.1	Very high	94.9	Very high	147 Å²	147	39.1 Å²	39.1	69%	0.687	21%	0.21	S	C	*	.	H	α-helix	trans	-62.6	-40.8	177	-169.2	172.7	9.1	0	0	112.6	A267 K272 I273	A267-Q269 PolarHBondContact O-N 3.48Å; Q269-K272 PolarHBondContact O-N 2.9Å; Q269-I273 HydrophobicContact CG-CD1 4.46Å; Q269-I273 WeakPolarHBondContact O-CG1 3.44Å; Q269-I273 PolarHBondContact O-N 3.48Å
270	D	91.9	Very high	94.8	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-47.3	174.3	-79.3	-6.7	0	0	0	110.1	A267 D268 K272 I273 F274 R314	A267-D270 WeakPolarHBondContact O-CB 3.38Å; A267-D270 PolarHBondContact O-N 3.39Å; A267-D270 VanDerWaalsContact O-N 3.17Å; D268-D270 VanDerWaalsContact C-N 3.35Å; D268-D270 PolarHBondContact O-N 3.47Å; D270-K272 PolarHBondContact O-N 3.11Å; D270-I273 PolarHBondContact O-N 2.86Å; D270-F274 HydrophobicContact CB-CD2 4.28Å; D270-F274 HydrophobicContact CB-CE2 3.66Å; D270-F274 HydrophobicContact CB-CZ 3.97Å; D270-F274 VanDerWaalsContact O-CD2 3.23Å; D270-F274 WeakPolarHBondContact O-CD2 3.18Å; D270-F274 WeakPolarHBondContact O-CG 3.35Å; D270-F274 PolarHBondContact O-N 3.22Å; D270-R314 IonicContact OD2-CZ 2.67Å; D270-R314 IonicContact OD2-NE 2.85Å; D270-R314 IonicContact OD2-NH2 3.66Å; D270-R314 PolarHBondContact OD2-NH2 3.39Å
271	L	93.1	Very high	94.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-45.3	178.8	-69.3	170.8	0	0	0	112	I246 V262 L266 A267 D268 I273 F274 S275 M283	I246-L271 HydrophobicContact CD1-CB 3.92Å; V262-L271 HydrophobicContact CB-CD1 4.28Å; V262-L271 HydrophobicContact CG1-CD1 4.05Å; V262-L271 HydrophobicContact CG2-CD1 3.97Å; L266-L271 HydrophobicContact CB-CD2 4.47Å; L266-L271 HydrophobicContact CB-CG 4.41Å; L266-L271 HydrophobicContact CD1-CD2 3.99Å; A267-L271 PolarHBondContact O-N 3.36Å; A267-L271 VanDerWaalsContact O-N 3.13Å; D268-L271 PolarHBondContact O-N 3.15Å; L271-I273 VanDerWaalsContact C-N 3.29Å; L271-I273 PolarHBondContact O-N 3.45Å; L271-F274 PolarHBondContact O-N 3.22Å; L271-S275 WeakPolarHBondContact O-CB 3.33Å; L271-S275 PolarHBondContact O-N 3.05Å; L271-M283 HydrophobicContact CB-CE 3.82Å; L271-M283 HydrophobicContact CB-SD 4.09Å; L271-M283 HydrophobicContact CD2-CE 4.46Å; L271-M283 HydrophobicContact CD2-SD 4.14Å; L271-M283 WeakPolarHBondContact O-CE 3.43Å
272	K	93.7	Very high	94.5	Very high	111 Å²	111	45 Å²	45	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-51.7	-48.7	174.6	-103.8	154.7	-171	-177.9	0	111.4	I246 I252 D268 Q269 D270 S275 H276	I246-K272 HydrophobicContact CD1-CB 4.08Å; I246-K272 HydrophobicContact CD1-CD 3.84Å; I246-K272 HydrophobicContact CD1-CG 3.53Å; I246-K272 HydrophobicContact CG1-CD 4.12Å; I246-K272 HydrophobicContact CG1-CG 4.04Å; I252-K272 HydrophobicContact CD1-CG 3.6Å; D268-K272 PolarHBondContact O-N 2.95Å; Q269-K272 PolarHBondContact O-N 2.9Å; D270-K272 PolarHBondContact O-N 3.11Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-OG 3.09Å; K272-H276 PolarHBondContact O-CD2 2.79Å
273	I	92.2	Very high	94.1	Very high	97 Å²	97	45.1 Å²	45.1	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-66.1	-51.8	-180	-64.6	165.5	0	0	0	110.5	Q269 D270 L271 S275 H276	Q269-I273 HydrophobicContact CG-CD1 4.46Å; Q269-I273 WeakPolarHBondContact O-CG1 3.44Å; Q269-I273 PolarHBondContact O-N 3.48Å; D270-I273 PolarHBondContact O-N 2.86Å; L271-I273 VanDerWaalsContact C-N 3.29Å; L271-I273 PolarHBondContact O-N 3.45Å; I273-S275 PolarHBondContact O-N 2.96Å; I273-H276 PolarHBondContact O-N 3.33Å
274	F	91.4	Very high	93.9	Very high	28 Å²	28	45.2 Å²	45.2	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-28.1	-175.7	-56.1	-26.3	0	0	0	112.9	D270 L271 H276 S277 F278 I311 R314	D270-F274 HydrophobicContact CB-CD2 4.28Å; D270-F274 HydrophobicContact CB-CE2 3.66Å; D270-F274 HydrophobicContact CB-CZ 3.97Å; D270-F274 VanDerWaalsContact O-CD2 3.23Å; D270-F274 WeakPolarHBondContact O-CD2 3.18Å; D270-F274 WeakPolarHBondContact O-CG 3.35Å; D270-F274 PolarHBondContact O-N 3.22Å; L271-F274 PolarHBondContact O-N 3.22Å; F274-H276 PolarHBondContact O-N 3.21Å; F274-H276 VanDerWaalsContact O-N 3.09Å; F274-S277 WeakPolarHBondContact O-CB 3.25Å; F274-S277 PolarHBondContact O-N 3.37Å; F274-F278 HydrophobicContact CB-CE2 4.14Å; F274-F278 WeakPolarHBondContact O-CD2 3.48Å; F274-I311 HydrophobicContact CB-CG2 4.39Å; F274-I311 HydrophobicContact CD1-CD1 4.36Å; F274-I311 HydrophobicContact CD1-CG1 4.06Å; F274-I311 HydrophobicContact CG-CG2 4.41Å; F274-R314 HydrophobicContact CE2-CG 3.74Å; F274-R314 HydrophobicContact CZ-CG 3.87Å
275	S	93.6	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-49.8	-38.4	-179.6	77.8	0	0	0	0	112.9	I252 L271 K272 I273 S277 F278 R281	I252-S275 VanDerWaalsContact CG2-CB 3.48Å; L271-S275 WeakPolarHBondContact O-CB 3.33Å; L271-S275 PolarHBondContact O-N 3.05Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-OG 3.09Å; I273-S275 PolarHBondContact O-N 2.96Å; S275-S277 PolarHBondContact O-N 3.28Å; S275-F278 PolarHBondContact O-N 2.95Å; S275-R281 VanDerWaalsContact O-CA 3.31Å; S275-R281 WeakPolarHBondContact O-CA 3.48Å; S275-R281 WeakPolarHBondContact O-CB 3.41Å; S275-R281 WeakPolarHBondContact O-CG 3.49Å
276	H	93.4	Very high	93.8	Very high	100 Å²	100	40 Å²	40	46%	0.463	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.7	-177.2	-70.8	-80.5	0	0	0	113.3	K272 I273 F274 K303	K272-H276 PolarHBondContact O-CD2 2.79Å; I273-H276 PolarHBondContact O-N 3.33Å; F274-H276 PolarHBondContact O-N 3.21Å; F274-H276 VanDerWaalsContact O-N 3.09Å; H276-K303 WeakPolarHBondContact O-CE 3.5Å; H276-K303 PolarHBondContact O-NZ 2.91Å
277	S	94.4	Very high	93.9	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.9	-178.5	-49.4	0	0	0	0	112.8	F274 S275 I302 K303 I311	F274-S277 WeakPolarHBondContact O-CB 3.25Å; F274-S277 PolarHBondContact O-N 3.37Å; S275-S277 PolarHBondContact O-N 3.28Å; S277-I302 CarbonylContact O-C 3.55Å; S277-I302 VanDerWaalsContact O-CA 3.29Å; S277-I302 WeakPolarHBondContact O-CA 3.48Å; S277-K303 WeakPolarHBondContact O-CG 3.32Å; S277-K303 PolarHBondContact O-N 3.37Å; S277-I311 VanDerWaalsContact CB-CD1 3.47Å; S277-I311 WeakPolarHBondContact OG-CD1 3.49Å
278	F	94.3	Very high	94.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-87.1	143.1	176.3	-71.3	-84.3	0	0	0	112.1	F274 S275 G280 R281 M283 M299 A300 L301 I302 I311 I315	F274-F278 HydrophobicContact CB-CE2 4.14Å; F274-F278 WeakPolarHBondContact O-CD2 3.48Å; S275-F278 PolarHBondContact O-N 2.95Å; F278-G280 PolarHBondContact O-N 3.36Å; F278-R281 PolarHBondContact O-N 3.19Å; F278-M283 HydrophobicContact CD2-CB 4.36Å; F278-M299 HydrophobicContact CD1-CG 4.27Å; F278-M299 HydrophobicContact CE1-CG 3.6Å; F278-M299 HydrophobicContact CE1-SD 3.83Å; F278-M299 HydrophobicContact CZ-CG 4.45Å; F278-M299 HydrophobicContact CZ-SD 4.28Å; F278-A300 WeakPolarHBondContact CD1-O 3.46Å; F278-L301 WeakPolarHBondContact CA-O 3.41Å; F278-I302 HydrophobicContact CD1-CG1 3.9Å; F278-I302 HydrophobicContact CE1-CD1 4.06Å; F278-I302 HydrophobicContact CE1-CG1 3.36Å; F278-I302 HydrophobicContact CE2-CG1 4.47Å; F278-I302 HydrophobicContact CZ-CD1 4.02Å; F278-I302 HydrophobicContact CZ-CG1 3.66Å; F278-I311 HydrophobicContact CE2-CG2 3.95Å; F278-I311 HydrophobicContact CZ-CG2 3.81Å; F278-I315 HydrophobicContact CE1-CD1 4.38Å; F278-I315 HydrophobicContact CE2-CD1 4.13Å; F278-I315 HydrophobicContact CZ-CD1 3.42Å; F278-I315 VanDerWaalsContact CZ-CD1 3.42Å
279	V	94.9	Very high	94.3	Very high	33 Å²	33	35.6 Å²	35.6	20%	0.2	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.5	132.8	165.7	175.6	0	0	0	0	109	R281 R282 A300 L301 K303 E406 E407	V279-R281 PolarHBondContact O-N 3.06Å; V279-R282 PolarHBondContact O-N 2.7Å; V279-A300 HydrophobicContact CB-CB 4.42Å; V279-L301 HydrophobicContact CG2-CB 4.16Å; V279-L301 PolarHBondContact N-O 3.23Å; V279-K303 HydrophobicContact CG2-CB 4.29Å; V279-E406 VanDerWaalsContact CB-O 3.28Å; V279-E406 WeakPolarHBondContact CB-O 3.33Å; V279-E406 WeakPolarHBondContact CG1-O 3.37Å; V279-E407 HydrophobicContact CG1-CG 4.01Å
280	G	92.8	Very high	94.4	Very high	40 Å²	40	29.9 Å²	29.9	41%	0.412	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	59.7	11.6	-174.5	0	0	0	0	0	115.1	S253 F278 R282	S253-G280 PolarHBondContact OG-O 3.47Å; F278-G280 PolarHBondContact O-N 3.36Å; G280-R282 PolarHBondContact O-N 3.17Å
281	R	94.8	Very high	94.6	Very high	101 Å²	101	33.5 Å²	33.5	38%	0.381	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	53.5	30	-168.6	-55.7	180	179.1	-171.2	1.9	113.1	I252 S275 F278 V279 M283	I252-R281 WeakPolarHBondContact O-CD 3.34Å; I252-R281 PolarHBondContact O-NH1 3.12Å; S275-R281 VanDerWaalsContact O-CA 3.31Å; S275-R281 WeakPolarHBondContact O-CA 3.48Å; S275-R281 WeakPolarHBondContact O-CB 3.41Å; S275-R281 WeakPolarHBondContact O-CG 3.49Å; F278-R281 PolarHBondContact O-N 3.19Å; V279-R281 PolarHBondContact O-N 3.06Å; R281-M283 PolarHBondContact O-N 3.27Å; R281-M283 VanDerWaalsContact O-N 3.11Å
282	R	93.4	Very high	94.7	Very high	8 Å²	8	34.9 Å²	34.9	3%	0.03	19%	0.186	C	C	.	.			trans	-87	79.3	-178.3	-70.6	-175.5	61.7	91.5	-2.8	110.6	C255 L256 V279 G280 A300 E407 G408 A444	C255-R282 VanDerWaalsContact C-NH1 3.31Å; C255-R282 HydrophobicContact CB-CG 3.92Å; C255-R282 PolarHBondContact O-NH1 3.39Å; L256-R282 HydrophobicContact CD2-CG 4.29Å; L256-R282 HydrophobicContact CG-CG 4.14Å; V279-R282 PolarHBondContact O-N 2.7Å; G280-R282 PolarHBondContact O-N 3.17Å; R282-A300 HydrophobicContact CB-CB 3.72Å; R282-A300 WeakPolarHBondContact O-CB 3.49Å; R282-A300 PolarHBondContact O-N 3.01Å; R282-E407 WeakPolarHBondContact CD-O 3.37Å; R282-E407 PolarHBondContact NE-O 2.93Å; R282-E407 VanDerWaalsContact NE-O 3.15Å; R282-G408 PolarHBondContact NE-O 3.47Å; R282-G408 PolarHBondContact NH2-O 2.88Å; R282-A444 PolarHBondContact NH1-O 2.81Å; R282-A444 PolarHBondContact NH2-O 3.2Å
283	M	91.2	Very high	94.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.02	17%	0.17	C	C	.	.			trans	-59.1	162.4	171.2	47.8	174.7	59.2	0	0	112.2	I246 I252 L256 I260 L271 F278 R281 L285	I246-M283 HydrophobicContact CG2-SD 4.44Å; I252-M283 HydrophobicContact CG2-CE 3.96Å; L256-M283 HydrophobicContact CD1-CG 3.72Å; I260-M283 HydrophobicContact CD1-CG 4.01Å; I260-M283 HydrophobicContact CD1-SD 3.63Å; L271-M283 HydrophobicContact CB-CE 3.82Å; L271-M283 HydrophobicContact CB-SD 4.09Å; L271-M283 HydrophobicContact CD2-CE 4.46Å; L271-M283 HydrophobicContact CD2-SD 4.14Å; L271-M283 WeakPolarHBondContact O-CE 3.43Å; F278-M283 HydrophobicContact CD2-CB 4.36Å; R281-M283 PolarHBondContact O-N 3.27Å; R281-M283 VanDerWaalsContact O-N 3.11Å; M283-L285 PolarHBondContact O-N 3.18Å
284	P	92.9	Very high	95.1	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.039	15%	0.146	C	C	.	.			trans	-53.4	129.1	-176.6	-24.1	30.7	0	0	0	112.7	V297 R298 M299 I315	P284-V297 HydrophobicContact CB-CG1 3.9Å; P284-R298 CarbonylContact C-O 3.55Å; P284-R298 WeakPolarHBondContact CA-O 3.41Å; P284-M299 HydrophobicContact CB-CG 4.43Å; P284-M299 HydrophobicContact CG-CG 3.93Å; P284-M299 HydrophobicContact CG-SD 3.8Å; P284-I315 HydrophobicContact CB-CG2 4.34Å; P284-I315 HydrophobicContact CG-CB 4.49Å; P284-I315 HydrophobicContact CG-CD1 3.61Å; P284-I315 HydrophobicContact CG-CG1 4.02Å; P284-I315 HydrophobicContact CG-CG2 3.67Å
285	L	94.6	Very high	95.5	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119	178.1	179.2	65.3	0	0	0	109	I260 M283 C287 V297 R298 A444	I260-L285 HydrophobicContact CB-CD1 3.78Å; I260-L285 HydrophobicContact CG2-CD1 3.81Å; M283-L285 PolarHBondContact O-N 3.18Å; L285-C287 PolarHBondContact O-N 3.14Å; L285-V297 WeakPolarHBondContact O-CA 3.27Å; L285-V297 WeakPolarHBondContact O-CG1 3.43Å; L285-R298 PolarHBondContact N-O 2.96Å; L285-R298 PolarHBondContact O-N 3.46Å; L285-A444 HydrophobicContact CD2-CB 4.14Å
286	W	98.3	Very high	95.7	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.6	168.5	175.1	84.5	0	0	0	110.9	E232 I233 T236 A238 W241 V261 W288 S289	E232-W286 HydrophobicContact CG-CH2 3.91Å; E232-W286 HydrophobicContact CG-CZ3 3.91Å; I233-W286 HydrophobicContact CG1-CH2 4.38Å; I233-W286 HydrophobicContact CG1-CZ3 4.29Å; T236-W286 HydrophobicContact CG2-CH2 4.24Å; T236-W286 HydrophobicContact CG2-CZ2 4.37Å; T236-W286 WeakPolarHBondContact OG1-CH2 3.45Å; T236-W286 VanDerWaalsContact OG1-CZ2 3.3Å; T236-W286 WeakPolarHBondContact OG1-CZ2 3.25Å; A238-W286 HydrophobicContact CB-CZ2 3.72Å; W241-W286 HydrophobicContact CD2-CB 4.25Å; W241-W286 AromaticContact CD2-CD1 3.37Å; W241-W286 AromaticContact CD2-CG 3.95Å; W241-W286 HydrophobicContact CD2-CG 3.95Å; W241-W286 AromaticContact CE2-CD1 3.54Å; W241-W286 HydrophobicContact CE3-CB 3.5Å; W241-W286 AromaticContact CE3-CD1 3.51Å; W241-W286 AromaticContact CE3-CG 3.7Å; W241-W286 HydrophobicContact CE3-CG 3.7Å; W241-W286 AromaticContact CG-CD1 3.92Å; W241-W286 HydrophobicContact CG-CG 4.45Å; W241-W286 HydrophobicContact CH2-CB 4.4Å; W241-W286 AromaticContact CZ2-CD1 3.89Å; W241-W286 HydrophobicContact CZ3-CB 3.57Å; W241-W286 AromaticContact CZ3-CD1 3.81Å; W241-W286 HydrophobicContact CZ3-CG 4.05Å; V261-W286 HydrophobicContact CB-CB 3.81Å; V261-W286 HydrophobicContact CB-CD2 4.22Å; V261-W286 HydrophobicContact CB-CE3 3.75Å; V261-W286 HydrophobicContact CB-CG 4.3Å; V261-W286 HydrophobicContact CG1-CB 3.66Å; V261-W286 HydrophobicContact CG1-CD2 3.75Å; V261-W286 HydrophobicContact CG1-CE3 3.67Å; V261-W286 HydrophobicContact CG1-CG 3.8Å; V261-W286 HydrophobicContact CG2-CE3 4.09Å; V261-W286 VanDerWaalsContact O-CB 3.29Å; V261-W286 WeakPolarHBondContact O-CB 3.35Å; V261-W286 PolarHBondContact O-N 2.93Å; W286-W288 VanDerWaalsContact NE1-C 3.33Å; W286-W288 PolarHBondContact NE1-O 3.41Å; W286-S289 PolarHBondContact NE1-OG 2.82Å
287	C	98.1	Very high	96	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-48.9	178.7	-57.3	0	0	0	0	110.3	L285 L296 R298 K439 E440	L285-C287 PolarHBondContact O-N 3.14Å; C287-L296 HydrophobicContact CB-CB 4.41Å; C287-L296 HydrophobicContact CB-CD2 4.31Å; C287-L296 HydrophobicContact CB-CG 4.18Å; C287-L296 WeakPolarHBondContact CB-O 3.48Å; C287-L296 PolarHBondContact N-O 3.24Å; C287-R298 WeakPolarHBondContact SG-CD 3.46Å; C287-R298 WeakPolarHBondContact SG-CG 3.43Å; C287-K439 PolarHBondContact O-NZ 2.75Å; C287-E440 VanDerWaalsContact CB-OE1 3.27Å; C287-E440 WeakPolarHBondContact CB-OE1 2.97Å
288	W	98.5	Very high	96.1	Very high	11 Å²	11	19.4 Å²	19.4	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	159.4	-172	-175	82.7	0	0	0	112.2	W286 H290 A295 L296 Q420 L423 D424 F427	W286-W288 VanDerWaalsContact NE1-C 3.33Å; W286-W288 PolarHBondContact NE1-O 3.41Å; W288-H290 HydrophobicContact CE3-CB 4.5Å; W288-H290 VanDerWaalsContact CH2-CA 3.41Å; W288-H290 HydrophobicContact CH2-CB 3.69Å; W288-H290 AromaticContact CH2-CD2 3.43Å; W288-H290 VanDerWaalsContact CH2-CD2 3.43Å; W288-H290 WeakPolarHBondContact CH2-CD2 3.27Å; W288-H290 AromaticContact CH2-CG 3.93Å; W288-H290 VanDerWaalsContact CZ3-CA 3.46Å; W288-H290 HydrophobicContact CZ3-CB 3.52Å; W288-H290 AromaticContact CZ3-CD2 3.94Å; W288-H290 VanDerWaalsContact CZ3-N 3.34Å; W288-A295 WeakPolarHBondContact O-CA 3.41Å; W288-L296 HydrophobicContact CB-CB 4.45Å; W288-L296 PolarHBondContact N-O 3.3Å; W288-L296 PolarHBondContact O-N 3.04Å; W288-Q420 HydrophobicContact CB-CG 3.71Å; W288-Q420 HydrophobicContact CD2-CG 4.42Å; W288-Q420 HydrophobicContact CG-CG 3.85Å; W288-L423 HydrophobicContact CH2-CB 3.7Å; W288-L423 HydrophobicContact CH2-CD1 4.04Å; W288-L423 HydrophobicContact CH2-CG 4.43Å; W288-L423 HydrophobicContact CZ2-CB 4.27Å; W288-L423 HydrophobicContact CZ3-CB 4.17Å; W288-L423 HydrophobicContact CZ3-CD1 3.69Å; W288-D424 HydrophobicContact CZ2-CB 3.97Å; W288-D424 PolarHBondContact NE1-OD2 3.38Å; W288-F427 AromaticContact CD1-CE2 3.74Å; W288-F427 AromaticContact NE1-CE2 3.99Å
289	S	97.9	Very high	96.2	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.035	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.7	171.7	-74.4	0	0	0	0	111.7	W286 S294	W286-S289 PolarHBondContact NE1-OG 2.82Å; S289-S294 CarbonylContact C-O 3.55Å; S289-S294 WeakPolarHBondContact CA-O 3.49Å
290	H	97.6	Very high	96.2	Very high	26 Å²	26	18 Å²	18	12%	0.12	11%	0.109	C	C	.	.			trans	-76.4	153	171.3	-167.1	-86.4	0	0	0	110.3	W288 N292 G293 S294 E395	W288-H290 HydrophobicContact CE3-CB 4.5Å; W288-H290 VanDerWaalsContact CH2-CA 3.41Å; W288-H290 HydrophobicContact CH2-CB 3.69Å; W288-H290 AromaticContact CH2-CD2 3.43Å; W288-H290 VanDerWaalsContact CH2-CD2 3.43Å; W288-H290 WeakPolarHBondContact CH2-CD2 3.27Å; W288-H290 AromaticContact CH2-CG 3.93Å; W288-H290 VanDerWaalsContact CZ3-CA 3.46Å; W288-H290 HydrophobicContact CZ3-CB 3.52Å; W288-H290 AromaticContact CZ3-CD2 3.94Å; W288-H290 VanDerWaalsContact CZ3-N 3.34Å; H290-N292 WeakPolarHBondContact CB-OD1 3.3Å; H290-N292 WeakPolarHBondContact ND1-CB 3.33Å; H290-N292 PolarHBondContact ND1-N 3Å; H290-N292 PolarHBondContact ND1-ND2 3.14Å; H290-N292 VanDerWaalsContact ND1-ND2 3.11Å; H290-N292 PolarHBondContact ND1-OD1 3.3Å; H290-N292 PolarHBondContact O-N 3.39Å; H290-N292 VanDerWaalsContact O-N 3.08Å; H290-G293 PolarHBondContact O-N 3.22Å; H290-S294 PolarHBondContact N-O 2.85Å; H290-E395 IonicContact CD2-OE2 2.66Å; H290-E395 PolarHBondContact CD2-OE2 3.15Å; H290-E395 IonicContact CE1-OE2 3.2Å; H290-E395 PolarHBondContact CE1-OE2 3.3Å; H290-E395 IonicContact CG-OE2 3.98Å; H290-E395 IonicContact ND1-OE2 3.5Å; H290-E395 IonicContact NE2-OE2 3.11Å; H290-E395 PolarHBondContact NE2-OE2 2.81Å
291	S	95.9	Very high	96.3	Very high	115 Å²	115	18.4 Å²	18.4	80%	0.804	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.7	176	62.4	0	0	0	0	114.2	G293	S291-G293 VanDerWaalsContact C-N 3.27Å
292	N	95.8	Very high	96.2	Very high	33 Å²	33	14 Å²	14	18%	0.176	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.1	174.7	71.1	17.6	0	0	0	112.9	H290 S294 L394 H398	H290-N292 WeakPolarHBondContact CB-OD1 3.3Å; H290-N292 WeakPolarHBondContact ND1-CB 3.33Å; H290-N292 PolarHBondContact ND1-N 3Å; H290-N292 PolarHBondContact ND1-ND2 3.14Å; H290-N292 VanDerWaalsContact ND1-ND2 3.11Å; H290-N292 PolarHBondContact ND1-OD1 3.3Å; H290-N292 PolarHBondContact O-N 3.39Å; H290-N292 VanDerWaalsContact O-N 3.08Å; N292-S294 WeakPolarHBondContact OD1-CB 3.35Å; N292-S294 PolarHBondContact OD1-N 2.96Å; N292-S294 PolarHBondContact OD1-OG 3.17Å; N292-S294 VanDerWaalsContact OD1-OG 3.07Å; N292-L394 PolarHBondContact ND2-O 3.03Å; N292-H398 PolarHBondContact ND2-ND1 3Å
293	G	96.1	Very high	96.1	Very high	14 Å²	14	20 Å²	20	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	95.9	-7.6	-179.1	0	0	0	0	0	115.8	H290 S291 H323	H290-G293 PolarHBondContact O-N 3.22Å; S291-G293 VanDerWaalsContact C-N 3.27Å; G293-H323 PolarHBondContact O-CD2 2.77Å
294	S	98.2	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.			trans	-65.2	140	173.3	-65.8	0	0	0	0	111.1	S289 H290 N292 H323 H398 L399	S289-S294 CarbonylContact C-O 3.55Å; S289-S294 WeakPolarHBondContact CA-O 3.49Å; H290-S294 PolarHBondContact N-O 2.85Å; N292-S294 WeakPolarHBondContact OD1-CB 3.35Å; N292-S294 PolarHBondContact OD1-N 2.96Å; N292-S294 PolarHBondContact OD1-OG 3.17Å; N292-S294 VanDerWaalsContact OD1-OG 3.07Å; S294-H323 PolarHBondContact N-CD2 3.01Å; S294-H323 PolarHBondContact N-NE2 3.44Å; S294-H323 PolarHBondContact OG-NE2 2.84Å; S294-H398 WeakPolarHBondContact OG-CA 3.49Å; S294-H398 PolarHBondContact OG-O 3.5Å; S294-L399 PolarHBondContact OG-N 2.9Å; S294-L399 PolarHBondContact OG-O 3.14Å
295	A	98.6	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.3	-178.3	0	0	0	0	0	111.8	W241 W288 V297 S400 V401	W241-A295 HydrophobicContact CH2-CB 4.29Å; W241-A295 HydrophobicContact CZ2-CB 3.36Å; W288-A295 WeakPolarHBondContact O-CA 3.41Å; A295-V297 HydrophobicContact CB-CG2 4.39Å; A295-S400 PolarHBondContact N-OG 2.99Å; A295-S400 CarbonylContact O-C 3.58Å; A295-S400 VanDerWaalsContact O-CA 3.29Å; A295-S400 WeakPolarHBondContact O-CA 3.39Å; A295-S400 WeakPolarHBondContact O-CB 3.19Å; A295-V401 PolarHBondContact O-N 3.42Å
296	L	98.8	Very high	94.7	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	-101.1	126.3	168.6	-177.5	64.7	0	0	0	109	C287 W288 L394 V401 L403 A416 V419 Q420	C287-L296 HydrophobicContact CB-CB 4.41Å; C287-L296 HydrophobicContact CB-CD2 4.31Å; C287-L296 HydrophobicContact CB-CG 4.18Å; C287-L296 WeakPolarHBondContact CB-O 3.48Å; C287-L296 PolarHBondContact N-O 3.24Å; W288-L296 HydrophobicContact CB-CB 4.45Å; W288-L296 PolarHBondContact N-O 3.3Å; W288-L296 PolarHBondContact O-N 3.04Å; L296-L394 HydrophobicContact CD1-CD1 4.46Å; L296-V401 WeakPolarHBondContact CA-O 3.49Å; L296-V401 HydrophobicContact CD1-CB 4.04Å; L296-V401 HydrophobicContact CD1-CG1 3.91Å; L296-L403 HydrophobicContact CD1-CD1 4.09Å; L296-L403 HydrophobicContact CD1-CD2 4.18Å; L296-L403 HydrophobicContact CD1-CG 3.92Å; L296-A416 HydrophobicContact CD2-CB 4.16Å; L296-V419 HydrophobicContact CD2-CB 4.05Å; L296-V419 HydrophobicContact CD2-CG1 3.83Å; L296-Q420 HydrophobicContact CD2-CG 4.35Å
297	V	98.6	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.2	-173.4	-174.2	0	0	0	0	109.3	W241 P284 L285 A295 I319 V401 V402 L403	W241-V297 HydrophobicContact CH2-CG2 3.47Å; W241-V297 VanDerWaalsContact CH2-CG2 3.47Å; W241-V297 HydrophobicContact CZ2-CG2 4.12Å; W241-V297 HydrophobicContact CZ3-CG2 4.3Å; P284-V297 HydrophobicContact CB-CG1 3.9Å; L285-V297 WeakPolarHBondContact O-CA 3.27Å; L285-V297 WeakPolarHBondContact O-CG1 3.43Å; A295-V297 HydrophobicContact CB-CG2 4.39Å; V297-I319 HydrophobicContact CB-CD1 4.47Å; V297-I319 HydrophobicContact CG1-CD1 4.35Å; V297-I319 HydrophobicContact CG2-CD1 4.1Å; V297-V401 PolarHBondContact N-O 3.11Å; V297-V402 HydrophobicContact CB-CG2 4.17Å; V297-V402 CarbonylContact O-C 3.55Å; V297-V402 WeakPolarHBondContact O-CA 3.47Å; V297-L403 PolarHBondContact O-N 2.93Å
298	R	97.4	Very high	93.8	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140	171.8	-73.1	168.7	63.6	-174.8	-1.4	110.3	P284 L285 C287 L403 G408 S412 C413 A416 E440	P284-R298 CarbonylContact C-O 3.55Å; P284-R298 WeakPolarHBondContact CA-O 3.41Å; L285-R298 PolarHBondContact N-O 2.96Å; L285-R298 PolarHBondContact O-N 3.46Å; C287-R298 WeakPolarHBondContact SG-CD 3.46Å; C287-R298 WeakPolarHBondContact SG-CG 3.43Å; R298-L403 HydrophobicContact CG-CB 4.25Å; R298-L403 HydrophobicContact CG-CD1 4.11Å; R298-G408 PolarHBondContact NH2-O 3.25Å; R298-S412 PolarHBondContact NE-OG 3.38Å; R298-S412 VanDerWaalsContact NE-OG 3.11Å; R298-S412 PolarHBondContact NH2-OG 2.86Å; R298-S412 VanDerWaalsContact NH2-OG 3.14Å; R298-C413 PolarHBondContact NH2-SG 2.97Å; R298-A416 HydrophobicContact CG-CB 4.27Å; R298-E440 IonicContact CZ-OE2 2.63Å; R298-E440 PolarHBondContact NH1-O 3.31Å; R298-E440 IonicContact NH1-OE2 2.66Å; R298-E440 PolarHBondContact NH1-OE2 2.92Å
299	M	95.1	Very high	93.5	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	131.8	-176.9	-169.1	177.3	74.1	0	0	110.7	F278 P284 I315 V402 L403 Q404 E405	F278-M299 HydrophobicContact CD1-CG 4.27Å; F278-M299 HydrophobicContact CE1-CG 3.6Å; F278-M299 HydrophobicContact CE1-SD 3.83Å; F278-M299 HydrophobicContact CZ-CG 4.45Å; F278-M299 HydrophobicContact CZ-SD 4.28Å; P284-M299 HydrophobicContact CB-CG 4.43Å; P284-M299 HydrophobicContact CG-CG 3.93Å; P284-M299 HydrophobicContact CG-SD 3.8Å; M299-I315 HydrophobicContact SD-CD1 4.07Å; M299-I315 HydrophobicContact SD-CG2 4.21Å; M299-V402 HydrophobicContact CB-CG1 3.84Å; M299-V402 HydrophobicContact CE-CG1 4.1Å; M299-V402 HydrophobicContact SD-CG1 4.41Å; M299-L403 PolarHBondContact N-O 3.11Å; M299-Q404 HydrophobicContact CE-CG 4.36Å; M299-Q404 WeakPolarHBondContact O-CA 3.43Å; M299-E405 PolarHBondContact O-N 3.1Å
300	A	95.9	Very high	93.3	Very high	2 Å²	2	59 Å²	59	2%	0.017	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	166.4	171.1	0	0	0	0	0	111.4	F278 V279 R282 E405	F278-A300 WeakPolarHBondContact CD1-O 3.46Å; V279-A300 HydrophobicContact CB-CB 4.42Å; R282-A300 HydrophobicContact CB-CB 3.72Å; R282-A300 WeakPolarHBondContact O-CB 3.49Å; R282-A300 PolarHBondContact O-N 3.01Å; A300-E405 CarbonylContact C-O 3.53Å; A300-E405 VanDerWaalsContact CA-O 3.27Å; A300-E405 WeakPolarHBondContact CA-O 3.28Å
301	L	94.4	Very high	93.1	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.246	29%	0.289	C	S	.	.			trans	-64.2	146	174	-69.1	-178.8	0	0	0	112.2	F278 V279 Q404 E405 E406	F278-L301 WeakPolarHBondContact CA-O 3.41Å; V279-L301 HydrophobicContact CG2-CB 4.16Å; V279-L301 PolarHBondContact N-O 3.23Å; L301-Q404 HydrophobicContact CD2-CG 3.65Å; L301-E405 PolarHBondContact N-O 2.82Å; L301-E406 HydrophobicContact CD1-CB 4.11Å; L301-E406 HydrophobicContact CD1-CG 4.27Å; L301-E406 PolarHBondContact N-O 3.25Å; L301-E406 VanDerWaalsContact N-O 3.17Å
302	I	93.7	Very high	93	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.051	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-87.8	112.8	169.3	-58.2	165	0	0	0	107.4	S277 F278 Q308 I311 D312	S277-I302 CarbonylContact O-C 3.55Å; S277-I302 VanDerWaalsContact O-CA 3.29Å; S277-I302 WeakPolarHBondContact O-CA 3.48Å; F278-I302 HydrophobicContact CD1-CG1 3.9Å; F278-I302 HydrophobicContact CE1-CD1 4.06Å; F278-I302 HydrophobicContact CE1-CG1 3.36Å; F278-I302 HydrophobicContact CE2-CG1 4.47Å; F278-I302 HydrophobicContact CZ-CD1 4.02Å; F278-I302 HydrophobicContact CZ-CG1 3.66Å; I302-Q308 HydrophobicContact CB-CB 4.46Å; I302-Q308 HydrophobicContact CB-CG 4.17Å; I302-Q308 HydrophobicContact CD1-CG 4.38Å; I302-Q308 HydrophobicContact CG2-CB 4.18Å; I302-Q308 HydrophobicContact CG2-CG 4.44Å; I302-I311 HydrophobicContact CD1-CB 3.98Å; I302-I311 HydrophobicContact CD1-CG2 3.66Å; I302-I311 HydrophobicContact CG1-CG2 4.38Å; I302-I311 HydrophobicContact CG2-CD1 4.37Å; I302-D312 HydrophobicContact CD1-CB 4.47Å; I302-D312 WeakPolarHBondContact CD1-OD1 3.06Å
303	K	90.4	Very high	93	Very high	133 Å²	133	58.1 Å²	58.1	58%	0.578	28%	0.277	S	S	*	.			trans	-76.6	-23.7	-177.9	74.4	-169.6	173.1	-174.6	0	113.4	H276 S277 V279 V305	H276-K303 WeakPolarHBondContact O-CE 3.5Å; H276-K303 PolarHBondContact O-NZ 2.91Å; S277-K303 WeakPolarHBondContact O-CG 3.32Å; S277-K303 PolarHBondContact O-N 3.37Å; V279-K303 HydrophobicContact CG2-CB 4.29Å; K303-V305 PolarHBondContact O-N 2.83Å
304	D	82.6	Confident	93	Very high	47 Å²	47	62.6 Å²	62.6	25%	0.251	29%	0.29	S	S	.	.			trans	-82.9	97.4	178.8	-176	-17.8	0	0	0	110.1	L306 Q307 Q308	D304-L306 PolarHBondContact O-N 3.02Å; D304-L306 WeakPolarHBondContact OD1-CB 3.5Å; D304-L306 PolarHBondContact OD1-N 3.27Å; D304-Q307 HydrophobicContact CB-CB 4.27Å; D304-Q307 PolarHBondContact O-N 3.02Å; D304-Q307 PolarHBondContact OD1-N 3.01Å; D304-Q307 VanDerWaalsContact OD1-N 3.1Å; D304-Q307 VanDerWaalsContact OD2-CD 3.27Å; D304-Q307 WeakPolarHBondContact OD2-CG 3.46Å; D304-Q308 WeakPolarHBondContact O-CA 3.27Å; D304-Q308 WeakPolarHBondContact O-CB 3.17Å; D304-Q308 PolarHBondContact O-N 3.14Å
305	V	81.8	Confident	92.9	Very high	113 Å²	113	62.8 Å²	62.8	69%	0.685	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-32.9	-178.1	-176.5	0	0	0	0	112.4	K303	K303-V305 PolarHBondContact O-N 2.83Å
306	L	84.7	Confident	92.8	Very high	165 Å²	165	64 Å²	64	86%	0.864	30%	0.299	S	S	*	.	H	α-helix	trans	-72.7	-37.3	-178.9	-63.6	175.5	0	0	0	111.2	D304	D304-L306 PolarHBondContact O-N 3.02Å; D304-L306 WeakPolarHBondContact OD1-CB 3.5Å; D304-L306 PolarHBondContact OD1-N 3.27Å
307	Q	85.8	Confident	92.8	Very high	83 Å²	83	67.8 Å²	67.8	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-92.3	-12.7	179.5	-62.2	-169.4	10.7	0	0	113.9	D304 R309 K310 I311	D304-Q307 HydrophobicContact CB-CB 4.27Å; D304-Q307 PolarHBondContact O-N 3.02Å; D304-Q307 PolarHBondContact OD1-N 3.01Å; D304-Q307 VanDerWaalsContact OD1-N 3.1Å; D304-Q307 VanDerWaalsContact OD2-CD 3.27Å; D304-Q307 WeakPolarHBondContact OD2-CG 3.46Å; Q307-R309 PolarHBondContact O-N 3.39Å; Q307-K310 PolarHBondContact O-N 3.17Å; Q307-I311 HydrophobicContact CB-CD1 3.75Å; Q307-I311 HydrophobicContact CB-CG1 4.21Å; Q307-I311 WeakPolarHBondContact O-CG1 3.29Å; Q307-I311 PolarHBondContact O-N 3.24Å
308	Q	91.4	Very high	92.7	Very high	62 Å²	62	68 Å²	68	29%	0.29	32%	0.321	S	S	.	.	H	α-helix	trans	-49.3	-54.8	-173.6	-178.8	174.5	19.7	0	0	112.3	I302 D304 K310 I311 D312	I302-Q308 HydrophobicContact CB-CB 4.46Å; I302-Q308 HydrophobicContact CB-CG 4.17Å; I302-Q308 HydrophobicContact CD1-CG 4.38Å; I302-Q308 HydrophobicContact CG2-CB 4.18Å; I302-Q308 HydrophobicContact CG2-CG 4.44Å; D304-Q308 WeakPolarHBondContact O-CA 3.27Å; D304-Q308 WeakPolarHBondContact O-CB 3.17Å; D304-Q308 PolarHBondContact O-N 3.14Å; Q308-K310 VanDerWaalsContact C-N 3.33Å; Q308-K310 PolarHBondContact O-N 3.48Å; Q308-I311 PolarHBondContact O-N 3.05Å; Q308-D312 VanDerWaalsContact O-CB 3.25Å; Q308-D312 WeakPolarHBondContact O-CB 3.35Å; Q308-D312 PolarHBondContact O-N 2.9Å
309	R	92.2	Very high	92.8	Very high	220 Å²	220	67.8 Å²	67.8	83%	0.83	32%	0.32	S	S	*	.	H	α-helix	trans	-59.8	-42.2	-179	-69.6	-174.7	-175.9	177.5	1.9	112.6	Q307 Q313	Q307-R309 PolarHBondContact O-N 3.39Å; R309-Q313 VanDerWaalsContact O-CB 3.26Å; R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 PolarHBondContact O-N 3.12Å
310	K	93.9	Very high	92.9	Very high	160 Å²	160	69 Å²	69	70%	0.696	33%	0.328	S	S	*	.	H	α-helix	trans	-67.5	-45.6	-178.4	-178	-178.3	176.5	-177.1	0	111.3	Q307 Q308 R314	Q307-K310 PolarHBondContact O-N 3.17Å; Q308-K310 VanDerWaalsContact C-N 3.33Å; Q308-K310 PolarHBondContact O-N 3.48Å; K310-R314 WeakPolarHBondContact O-CB 3.47Å; K310-R314 PolarHBondContact O-N 3.16Å
311	I	94.1	Very high	93	Very high	2 Å²	2	74 Å²	74	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-45.9	179.6	-66.5	174.1	0	0	0	110	F274 S277 F278 I302 Q307 Q308 Q313 R314 I315	F274-I311 HydrophobicContact CB-CG2 4.39Å; F274-I311 HydrophobicContact CD1-CD1 4.36Å; F274-I311 HydrophobicContact CD1-CG1 4.06Å; F274-I311 HydrophobicContact CG-CG2 4.41Å; S277-I311 VanDerWaalsContact CB-CD1 3.47Å; S277-I311 WeakPolarHBondContact OG-CD1 3.49Å; F278-I311 HydrophobicContact CE2-CG2 3.95Å; F278-I311 HydrophobicContact CZ-CG2 3.81Å; I302-I311 HydrophobicContact CD1-CB 3.98Å; I302-I311 HydrophobicContact CD1-CG2 3.66Å; I302-I311 HydrophobicContact CG1-CG2 4.38Å; I302-I311 HydrophobicContact CG2-CD1 4.37Å; Q307-I311 HydrophobicContact CB-CD1 3.75Å; Q307-I311 HydrophobicContact CB-CG1 4.21Å; Q307-I311 WeakPolarHBondContact O-CG1 3.29Å; Q307-I311 PolarHBondContact O-N 3.24Å; Q308-I311 PolarHBondContact O-N 3.05Å; I311-Q313 PolarHBondContact O-N 3.37Å; I311-R314 WeakPolarHBondContact O-CB 3.42Å; I311-R314 PolarHBondContact O-N 3.46Å; I311-R314 VanDerWaalsContact O-N 3.17Å; I311-I315 HydrophobicContact CG2-CD1 3.66Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.17Å
312	D	94.2	Very high	93.2	Very high	29 Å²	29	72.3 Å²	72.3	16%	0.155	34%	0.341	C	S	.	.	H	α-helix	trans	-56.8	-49.5	175.6	-95.9	-8.1	0	0	0	111.6	I302 Q308 R314 I315 C316 K331	I302-D312 HydrophobicContact CD1-CB 4.47Å; I302-D312 WeakPolarHBondContact CD1-OD1 3.06Å; Q308-D312 VanDerWaalsContact O-CB 3.25Å; Q308-D312 WeakPolarHBondContact O-CB 3.35Å; Q308-D312 PolarHBondContact O-N 2.9Å; D312-R314 VanDerWaalsContact C-N 3.28Å; D312-R314 PolarHBondContact O-N 2.88Å; D312-I315 PolarHBondContact O-N 2.97Å; D312-C316 WeakPolarHBondContact O-CB 3.11Å; D312-C316 PolarHBondContact O-N 2.94Å; D312-C316 PolarHBondContact O-SG 2.89Å; D312-C316 VanDerWaalsContact O-SG 3.39Å; D312-K331 IonicContact OD1-NZ 3.18Å; D312-K331 PolarHBondContact OD1-NZ 2.74Å; D312-K331 IonicContact OD2-NZ 3.24Å; D312-K331 PolarHBondContact OD2-NZ 2.83Å
313	Q	94.9	Very high	93.3	Very high	125 Å²	125	72 Å²	72	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-40.3	178.6	-171.1	179.8	19.1	0	0	111.4	R309 I311 N317	R309-Q313 VanDerWaalsContact O-CB 3.26Å; R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 PolarHBondContact O-N 3.12Å; I311-Q313 PolarHBondContact O-N 3.37Å; Q313-N317 WeakPolarHBondContact O-CB 3.27Å; Q313-N317 PolarHBondContact O-N 2.71Å; Q313-N317 PolarHBondContact O-ND2 3.32Å
314	R	95.9	Very high	93.6	Very high	109 Å²	109	70.2 Å²	70.2	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-42	177.8	-175.5	61.5	169.7	-176.2	-1	111.9	L266 D270 F274 K310 I311 D312 A318	L266-R314 HydrophobicContact CD2-CG 4.37Å; D270-R314 IonicContact OD2-CZ 2.67Å; D270-R314 IonicContact OD2-NE 2.85Å; D270-R314 IonicContact OD2-NH2 3.66Å; D270-R314 PolarHBondContact OD2-NH2 3.39Å; F274-R314 HydrophobicContact CE2-CG 3.74Å; F274-R314 HydrophobicContact CZ-CG 3.87Å; K310-R314 WeakPolarHBondContact O-CB 3.47Å; K310-R314 PolarHBondContact O-N 3.16Å; I311-R314 WeakPolarHBondContact O-CB 3.42Å; I311-R314 PolarHBondContact O-N 3.46Å; I311-R314 VanDerWaalsContact O-N 3.17Å; D312-R314 VanDerWaalsContact C-N 3.28Å; D312-R314 PolarHBondContact O-N 2.88Å; R314-A318 PolarHBondContact O-N 3.22Å; R314-A318 VanDerWaalsContact O-N 3.16Å
315	I	96.1	Very high	94.2	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-70.2	-50.5	179.1	-70.9	163.4	0	0	0	110.8	F278 P284 M299 I311 D312 N317 A318 I319	F278-I315 HydrophobicContact CE1-CD1 4.38Å; F278-I315 HydrophobicContact CE2-CD1 4.13Å; F278-I315 HydrophobicContact CZ-CD1 3.42Å; F278-I315 VanDerWaalsContact CZ-CD1 3.42Å; P284-I315 HydrophobicContact CB-CG2 4.34Å; P284-I315 HydrophobicContact CG-CB 4.49Å; P284-I315 HydrophobicContact CG-CD1 3.61Å; P284-I315 HydrophobicContact CG-CG1 4.02Å; P284-I315 HydrophobicContact CG-CG2 3.67Å; M299-I315 HydrophobicContact SD-CD1 4.07Å; M299-I315 HydrophobicContact SD-CG2 4.21Å; I311-I315 HydrophobicContact CG2-CD1 3.66Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.17Å; D312-I315 PolarHBondContact O-N 2.97Å; I315-N317 VanDerWaalsContact C-N 3.29Å; I315-N317 PolarHBondContact O-N 3.14Å; I315-A318 WeakPolarHBondContact O-CA 3.38Å; I315-A318 WeakPolarHBondContact O-CB 3.35Å; I315-A318 PolarHBondContact O-N 3.04Å; I315-I319 HydrophobicContact CG2-CD1 3.81Å; I315-I319 HydrophobicContact CG2-CG1 4.43Å; I315-I319 WeakPolarHBondContact O-CG1 3.27Å; I315-I319 PolarHBondContact O-N 3.08Å
316	C	97.1	Very high	94.8	Very high	26 Å²	26	77.3 Å²	77.3	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-57.2	-44.6	177.5	-69.7	0	0	0	0	110.9	D312 A318 I319 T320 V329	D312-C316 WeakPolarHBondContact O-CB 3.11Å; D312-C316 PolarHBondContact O-N 2.94Å; D312-C316 PolarHBondContact O-SG 2.89Å; D312-C316 VanDerWaalsContact O-SG 3.39Å; C316-A318 VanDerWaalsContact C-N 3.26Å; C316-A318 PolarHBondContact O-N 2.94Å; C316-I319 PolarHBondContact O-N 3.1Å; C316-I319 VanDerWaalsContact O-N 3.16Å; C316-T320 WeakPolarHBondContact O-CB 3.47Å; C316-T320 PolarHBondContact O-N 3.12Å; C316-T320 PolarHBondContact O-OG1 2.82Å; C316-T320 VanDerWaalsContact O-OG1 3.14Å; C316-V329 HydrophobicContact CB-CG2 4.44Å
317	N	97.8	Very high	95.3	Very high	80 Å²	80	70.6 Å²	70.6	43%	0.428	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-34.2	175.8	-74.1	-14.5	0	0	0	113	Q313 I315 K321	Q313-N317 WeakPolarHBondContact O-CB 3.27Å; Q313-N317 PolarHBondContact O-N 2.71Å; Q313-N317 PolarHBondContact O-ND2 3.32Å; I315-N317 VanDerWaalsContact C-N 3.29Å; I315-N317 PolarHBondContact O-N 3.14Å; N317-K321 WeakPolarHBondContact O-CB 3.45Å; N317-K321 WeakPolarHBondContact O-CG 3.14Å; N317-K321 PolarHBondContact O-N 3.24Å
318	A	98.1	Very high	95.8	Very high	4 Å²	4	72.2 Å²	72.2	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-73.2	-37.4	176.7	0	0	0	0	0	112.5	P263 S265 L266 R314 I315 C316 K321 S322	P263-A318 HydrophobicContact CB-CB 3.97Å; P263-A318 HydrophobicContact CG-CB 4.11Å; S265-A318 WeakPolarHBondContact OG-CB 3.44Å; L266-A318 HydrophobicContact CD1-CB 4.04Å; L266-A318 HydrophobicContact CD2-CB 3.58Å; L266-A318 HydrophobicContact CG-CB 3.53Å; R314-A318 PolarHBondContact O-N 3.22Å; R314-A318 VanDerWaalsContact O-N 3.16Å; I315-A318 WeakPolarHBondContact O-CA 3.38Å; I315-A318 WeakPolarHBondContact O-CB 3.35Å; I315-A318 PolarHBondContact O-N 3.04Å; C316-A318 VanDerWaalsContact C-N 3.26Å; C316-A318 PolarHBondContact O-N 2.94Å; A318-K321 PolarHBondContact O-N 3.31Å; A318-S322 PolarHBondContact O-N 3.33Å; A318-S322 VanDerWaalsContact O-N 3.08Å
319	I	98.3	Very high	96.1	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-67.2	-44.5	173.8	-62.6	169.4	0	0	0	110.2	W241 P263 V297 I315 C316 K321 S322 H323 V329 V402	W241-I319 HydrophobicContact CH2-CG1 4.1Å; W241-I319 HydrophobicContact CZ2-CG2 4.41Å; P263-I319 HydrophobicContact CG-CG1 4.17Å; V297-I319 HydrophobicContact CB-CD1 4.47Å; V297-I319 HydrophobicContact CG1-CD1 4.35Å; V297-I319 HydrophobicContact CG2-CD1 4.1Å; I315-I319 HydrophobicContact CG2-CD1 3.81Å; I315-I319 HydrophobicContact CG2-CG1 4.43Å; I315-I319 WeakPolarHBondContact O-CG1 3.27Å; I315-I319 PolarHBondContact O-N 3.08Å; C316-I319 PolarHBondContact O-N 3.1Å; C316-I319 VanDerWaalsContact O-N 3.16Å; I319-K321 VanDerWaalsContact C-N 3.25Å; I319-K321 PolarHBondContact O-N 2.83Å; I319-S322 PolarHBondContact O-N 2.96Å; I319-S322 PolarHBondContact O-OG 3.14Å; I319-H323 PolarHBondContact O-N 3.11Å; I319-V329 HydrophobicContact CB-CG2 3.92Å; I319-V329 HydrophobicContact CG2-CG2 3.71Å; I319-V402 HydrophobicContact CD1-CG2 3.55Å
320	T	98.2	Very high	96.4	Very high	27 Å²	27	64.8 Å²	64.8	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-56.5	-41.9	171.9	-64.5	0	0	0	0	110.8	C316 S322 H323 R326 S327	C316-T320 WeakPolarHBondContact O-CB 3.47Å; C316-T320 PolarHBondContact O-N 3.12Å; C316-T320 PolarHBondContact O-OG1 2.82Å; C316-T320 VanDerWaalsContact O-OG1 3.14Å; T320-S322 VanDerWaalsContact C-N 3.31Å; T320-S322 PolarHBondContact O-N 2.98Å; T320-H323 WeakPolarHBondContact O-CB 3.4Å; T320-H323 PolarHBondContact O-N 2.87Å; T320-R326 HydrophobicContact CG2-CB 3.99Å; T320-R326 WeakPolarHBondContact CG2-O 3.18Å; T320-R326 VanDerWaalsContact O-CA 3.3Å; T320-R326 WeakPolarHBondContact O-CA 3.25Å; T320-S327 WeakPolarHBondContact CG2-O 2.8Å; T320-S327 PolarHBondContact OG1-O 3.11Å
321	K	97.9	Very high	96.5	Very high	108 Å²	108	60.1 Å²	60.1	47%	0.47	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-25.8	176.7	-78.3	174.5	-176.3	-174.9	0	114.3	N317 A318 I319 H323	N317-K321 WeakPolarHBondContact O-CB 3.45Å; N317-K321 WeakPolarHBondContact O-CG 3.14Å; N317-K321 PolarHBondContact O-N 3.24Å; A318-K321 PolarHBondContact O-N 3.31Å; I319-K321 VanDerWaalsContact C-N 3.25Å; I319-K321 PolarHBondContact O-N 2.83Å; K321-H323 VanDerWaalsContact C-N 3.34Å
322	S	97.5	Very high	96.7	Very high	11 Å²	11	60.1 Å²	60.1	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-79.8	-18.9	176.5	68.1	0	0	0	0	112.6	G240 W241 A318 I319 T320	G240-S322 VanDerWaalsContact O-CB 3.26Å; G240-S322 WeakPolarHBondContact O-CB 3.21Å; W241-S322 VanDerWaalsContact CE2-OG 3.3Å; W241-S322 VanDerWaalsContact CZ2-OG 3.26Å; W241-S322 WeakPolarHBondContact CZ2-OG 3.41Å; W241-S322 PolarHBondContact NE1-OG 3.3Å; A318-S322 PolarHBondContact O-N 3.33Å; A318-S322 VanDerWaalsContact O-N 3.08Å; I319-S322 PolarHBondContact O-N 2.96Å; I319-S322 PolarHBondContact O-OG 3.14Å; T320-S322 VanDerWaalsContact C-N 3.31Å; T320-S322 PolarHBondContact O-N 2.98Å
323	H	97.3	Very high	96.9	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.014	29%	0.293	C	S	.	.	S	Bend	trans	-73.7	128.8	171.5	-164.4	-73.6	0	0	0	110.9	G293 S294 I319 T320 K321 Q325 R326 H398	G293-H323 PolarHBondContact O-CD2 2.77Å; S294-H323 PolarHBondContact N-CD2 3.01Å; S294-H323 PolarHBondContact N-NE2 3.44Å; S294-H323 PolarHBondContact OG-NE2 2.84Å; I319-H323 PolarHBondContact O-N 3.11Å; T320-H323 WeakPolarHBondContact O-CB 3.4Å; T320-H323 PolarHBondContact O-N 2.87Å; K321-H323 VanDerWaalsContact C-N 3.34Å; H323-Q325 VanDerWaalsContact C-N 3.27Å; H323-Q325 PolarHBondContact ND1-N 2.85Å; H323-Q325 VanDerWaalsContact ND1-N 3.1Å; H323-Q325 PolarHBondContact O-N 2.84Å; H323-R326 PolarHBondContact O-N 3.14Å; H323-H398 PolarHBondContact NE2-O 3.26Å
324	P	94.9	Very high	97	Very high	96 Å²	96	54.6 Å²	54.6	62%	0.623	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.8	-179.1	-25.8	34.6	0	0	0	113.6
325	Q	95.2	Very high	97.1	Very high	150 Å²	150	52.8 Å²	52.8	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.5	176.9	-59.7	178.9	-11.3	0	0	114.4	H323 S327	H323-Q325 VanDerWaalsContact C-N 3.27Å; H323-Q325 PolarHBondContact ND1-N 2.85Å; H323-Q325 VanDerWaalsContact ND1-N 3.1Å; H323-Q325 PolarHBondContact O-N 2.84Å; Q325-S327 VanDerWaalsContact C-N 3.27Å; Q325-S327 PolarHBondContact O-N 3Å
326	R	96	Very high	97	Very high	159 Å²	159	60.7 Å²	60.7	60%	0.6	30%	0.298	S	S	*	.			trans	52.5	43.9	-175.9	-60.3	176.2	177.3	-104.3	-2.7	114	T320 H323	T320-R326 HydrophobicContact CG2-CB 3.99Å; T320-R326 WeakPolarHBondContact CG2-O 3.18Å; T320-R326 VanDerWaalsContact O-CA 3.3Å; T320-R326 WeakPolarHBondContact O-CA 3.25Å; H323-R326 PolarHBondContact O-N 3.14Å
327	S	94.8	Very high	97	Very high	24 Å²	24	62.9 Å²	62.9	17%	0.168	31%	0.31	C	S	.	.			trans	-67.3	156.2	178.5	-162.9	0	0	0	0	111.9	T320 Q325 H398	T320-S327 WeakPolarHBondContact CG2-O 2.8Å; T320-S327 PolarHBondContact OG1-O 3.11Å; Q325-S327 VanDerWaalsContact C-N 3.27Å; Q325-S327 PolarHBondContact O-N 3Å; S327-H398 WeakPolarHBondContact CB-O 3.42Å; S327-H398 PolarHBondContact OG-O 3.44Å
328	D	95.3	Very high	97	Very high	118 Å²	118	59.7 Å²	59.7	63%	0.631	29%	0.293	S	S	*	.			trans	-67.1	165.7	178.7	-76.2	-33	0	0	0	112.2	L399 S400	D328-L399 HydrophobicContact CB-CD2 3.77Å; D328-L399 WeakPolarHBondContact O-CD2 3.48Å; D328-S400 PolarHBondContact O-N 3.16Å
329	V	98	Very high	97	Very high	30 Å²	30	60 Å²	60	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.8	-179.5	-176.8	0	0	0	0	109.8	C316 I319 S400 V402	C316-V329 HydrophobicContact CB-CG2 4.44Å; I319-V329 HydrophobicContact CB-CG2 3.92Å; I319-V329 HydrophobicContact CG2-CG2 3.71Å; V329-S400 CarbonylContact C-O 3.46Å; V329-S400 WeakPolarHBondContact CA-O 3.49Å; V329-V402 HydrophobicContact CG1-CB 4.43Å; V329-V402 HydrophobicContact CG1-CG2 3.56Å
330	Y	98.4	Very high	96.9	Very high	95 Å²	95	63.3 Å²	63.3	37%	0.373	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.7	170	-177.7	-101.2	0	0	0	110.3	L390 M393 S400 V401 V402	Y330-L390 HydrophobicContact CD1-CD2 4.06Å; Y330-L390 HydrophobicContact CE1-CD2 3.72Å; Y330-M393 HydrophobicContact CD1-CE 4.21Å; Y330-M393 HydrophobicContact CD1-CG 4.27Å; Y330-M393 HydrophobicContact CD2-CE 3.38Å; Y330-M393 HydrophobicContact CE2-CE 3.86Å; Y330-M393 HydrophobicContact CG-CE 3.57Å; Y330-M393 HydrophobicContact CG-CG 4.48Å; Y330-S400 PolarHBondContact N-O 2.99Å; Y330-V401 HydrophobicContact CD1-CG2 4.4Å; Y330-V401 CarbonylContact O-C 3.57Å; Y330-V401 VanDerWaalsContact O-CA 3.32Å; Y330-V401 WeakPolarHBondContact O-CA 3.32Å; Y330-V402 PolarHBondContact O-N 2.99Å
331	K	97.6	Very high	96.9	Very high	62 Å²	62	62.8 Å²	62.8	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.7	175.4	-71.9	-173.9	143.8	-147.2	0	110.3	D312 V402	D312-K331 IonicContact OD1-NZ 3.18Å; D312-K331 PolarHBondContact OD1-NZ 2.74Å; D312-K331 IonicContact OD2-NZ 3.24Å; D312-K331 PolarHBondContact OD2-NZ 2.83Å; K331-V402 WeakPolarHBondContact CA-O 3.36Å; K331-V402 HydrophobicContact CG-CB 4.16Å
332	S	98	Very high	96.9	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.8	176.1	-169.6	0	0	0	0	110	H386 V402 Q404	S332-H386 PolarHBondContact OG-CE1 3.18Å; S332-H386 PolarHBondContact OG-NE2 2.85Å; S332-V402 PolarHBondContact N-O 2.75Å; S332-Q404 PolarHBondContact O-N 3.06Å
333	D	97.3	Very high	96.9	Very high	39 Å²	39	65.3 Å²	65.3	21%	0.209	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.2	177.3	-171.8	-24.5	0	0	0	109.3	D335 K336 T337	D333-D335 PolarHBondContact OD1-N 3.15Å; D333-K336 HydrophobicContact CB-CD 4.43Å; D333-K336 WeakPolarHBondContact OD2-CD 2.93Å; D333-K336 VanDerWaalsContact OD2-CE 3.26Å; D333-K336 WeakPolarHBondContact OD2-CE 3.29Å; D333-K336 IonicContact OD2-NZ 3.97Å; D333-K336 PolarHBondContact OD2-NZ 3.46Å; D333-T337 WeakPolarHBondContact O-CG2 3.45Å; D333-T337 PolarHBondContact O-N 3.44Å; D333-T337 PolarHBondContact O-OG1 2.76Å
334	L	98.2	Very high	96.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-73.9	-34.2	-172	-59.6	-171.4	0	0	0	112.4	K336 T337 L338 H386 L403 Q404 E405 L411 S412 V415	L334-K336 PolarHBondContact O-N 2.95Å; L334-T337 WeakPolarHBondContact CA-OG1 3.33Å; L334-T337 PolarHBondContact O-N 3.37Å; L334-T337 VanDerWaalsContact O-N 3.11Å; L334-T337 PolarHBondContact O-OG1 2.74Å; L334-L338 HydrophobicContact CD2-CD1 4.15Å; L334-L338 PolarHBondContact O-N 3.46Å; L334-H386 WeakPolarHBondContact CD2-NE2 3.39Å; L334-L403 HydrophobicContact CD1-CB 4.17Å; L334-L403 HydrophobicContact CD2-CD2 4.43Å; L334-Q404 PolarHBondContact N-O 2.68Å; L334-E405 HydrophobicContact CB-CB 4.49Å; L334-L411 HydrophobicContact CB-CB 4.18Å; L334-L411 HydrophobicContact CB-CD1 4.38Å; L334-L411 HydrophobicContact CD1-CB 4.1Å; L334-S412 VanDerWaalsContact CD1-CA 3.44Å; L334-V415 HydrophobicContact CD1-CB 4.32Å; L334-V415 HydrophobicContact CD1-CG2 4.16Å; L334-V415 HydrophobicContact CD2-CG2 4.25Å
335	D	96.3	Very high	97.1	Very high	70 Å²	70	62.2 Å²	62.2	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-23.9	-179.7	-62	-47.3	0	0	0	112.1	D333 E405 E406	D333-D335 PolarHBondContact OD1-N 3.15Å; D335-E405 WeakPolarHBondContact OD2-CA 3.45Å; D335-E406 PolarHBondContact OD2-N 2.82Å
336	K	95.9	Very high	97.2	Very high	170 Å²	170	57.5 Å²	57.5	74%	0.739	29%	0.285	S	S	*	.	H	α-helix	trans	-93.2	-18.5	176.6	-66.3	-178.1	-175.5	135.7	0	114.3	D333 L334	D333-K336 HydrophobicContact CB-CD 4.43Å; D333-K336 WeakPolarHBondContact OD2-CD 2.93Å; D333-K336 VanDerWaalsContact OD2-CE 3.26Å; D333-K336 WeakPolarHBondContact OD2-CE 3.29Å; D333-K336 IonicContact OD2-NZ 3.97Å; D333-K336 PolarHBondContact OD2-NZ 3.46Å; L334-K336 PolarHBondContact O-N 2.95Å
337	T	95.9	Very high	97.3	Very high	72 Å²	72	50.1 Å²	50.1	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-109	-23.2	-168.6	48.9	0	0	0	0	113.3	D333 L334	D333-T337 WeakPolarHBondContact O-CG2 3.45Å; D333-T337 PolarHBondContact O-N 3.44Å; D333-T337 PolarHBondContact O-OG1 2.76Å; L334-T337 WeakPolarHBondContact CA-OG1 3.33Å; L334-T337 PolarHBondContact O-N 3.37Å; L334-T337 VanDerWaalsContact O-N 3.11Å; L334-T337 PolarHBondContact O-OG1 2.74Å
338	L	98.4	Very high	97.4	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.063	25%	0.252	C	S	.	.	S	Bend	trans	-126	154.5	-173.5	-67.9	172.9	0	0	0	111.2	L334 A382 F383 H386 L411 V415	L334-L338 HydrophobicContact CD2-CD1 4.15Å; L334-L338 PolarHBondContact O-N 3.46Å; L338-A382 HydrophobicContact CD2-CB 4.29Å; L338-F383 HydrophobicContact CB-CZ 4.25Å; L338-F383 HydrophobicContact CD1-CD1 3.85Å; L338-F383 HydrophobicContact CD1-CE1 3.73Å; L338-F383 HydrophobicContact CD1-CG 4.48Å; L338-F383 HydrophobicContact CD1-CZ 4.26Å; L338-F383 HydrophobicContact CD2-CD1 4.38Å; L338-F383 HydrophobicContact CD2-CD2 4.25Å; L338-F383 HydrophobicContact CD2-CG 4.2Å; L338-H386 HydrophobicContact CD2-CB 4.01Å; L338-L411 HydrophobicContact CB-CD1 4.15Å; L338-V415 HydrophobicContact CD1-CG2 3.46Å; L338-V415 VanDerWaalsContact CD1-CG2 3.46Å
339	P	97.9	Very high	97.4	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.078	23%	0.234	C	C	.	.			trans	-64.3	140.6	174.9	30.5	-37.8	0	0	0	110.3	E343 V344 Y379 F383	P339-E343 VanDerWaalsContact CA-OE2 3.29Å; P339-E343 WeakPolarHBondContact CA-OE2 3.44Å; P339-E343 HydrophobicContact CB-CB 4.04Å; P339-V344 HydrophobicContact CB-CG2 4.33Å; P339-V344 HydrophobicContact CG-CG2 4.07Å; P339-Y379 HydrophobicContact CB-CD1 3.84Å; P339-Y379 HydrophobicContact CB-CD2 4.22Å; P339-Y379 HydrophobicContact CB-CE1 3.64Å; P339-Y379 HydrophobicContact CB-CE2 4.07Å; P339-Y379 HydrophobicContact CB-CG 4.11Å; P339-Y379 HydrophobicContact CG-CD1 3.55Å; P339-Y379 HydrophobicContact CG-CD2 4.12Å; P339-Y379 HydrophobicContact CG-CE1 3.92Å; P339-Y379 HydrophobicContact CG-CE2 4.47Å; P339-Y379 HydrophobicContact CG-CG 3.65Å; P339-F383 HydrophobicContact CG-CE2 3.77Å
340	N	96.9	Very high	97.3	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	25%	0.246	S	C	.	.			trans	-73.5	170.8	178.7	66.9	55.6	0	0	0	111.8	Q342 E343 V344	N340-Q342 VanDerWaalsContact C-N 3.25Å; N340-Q342 PolarHBondContact O-N 2.89Å; N340-Q342 WeakPolarHBondContact OD1-CB 3.47Å; N340-Q342 PolarHBondContact OD1-N 3.42Å; N340-Q342 PolarHBondContact OD1-OE1 3.05Å; N340-E343 PolarHBondContact N-OE2 3.02Å; N340-E343 PolarHBondContact ND2-OE2 2.81Å; N340-E343 VanDerWaalsContact ND2-OE2 3.09Å; N340-E343 PolarHBondContact O-N 3.17Å; N340-E343 PolarHBondContact OD1-N 2.79Å; N340-V344 WeakPolarHBondContact O-CG2 3.46Å; N340-V344 PolarHBondContact O-N 2.96Å
341	I	97.1	Very high	97.1	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-29.5	-174.3	65.6	173.7	0	0	0	113.5	Q345 D410 L411 K460 S462 L464	I341-Q345 WeakPolarHBondContact O-CB 3.44Å; I341-Q345 PolarHBondContact O-N 3.01Å; I341-D410 HydrophobicContact CG2-CB 3.7Å; I341-L411 HydrophobicContact CG2-CD2 4.18Å; I341-K460 HydrophobicContact CD1-CB 4.36Å; I341-S462 PolarHBondContact O-OG 2.99Å; I341-L464 HydrophobicContact CG2-CD2 4.41Å
342	Q	97	Very high	96.8	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-75.2	-38.5	178	-69.8	75	19.2	0	0	111.5	N340 Q345 A346	N340-Q342 VanDerWaalsContact C-N 3.25Å; N340-Q342 PolarHBondContact O-N 2.89Å; N340-Q342 WeakPolarHBondContact OD1-CB 3.47Å; N340-Q342 PolarHBondContact OD1-N 3.42Å; N340-Q342 PolarHBondContact OD1-OE1 3.05Å; Q342-Q345 PolarHBondContact O-N 3.29Å; Q342-A346 WeakPolarHBondContact O-CB 3.5Å; Q342-A346 PolarHBondContact O-N 3.01Å
343	E	98	Very high	96.4	Very high	75 Å²	75	48.5 Å²	48.5	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-45.5	172.6	-71	176.5	119	0	0	110.8	P339 N340 Q345 A346 A347 Y379	P339-E343 VanDerWaalsContact CA-OE2 3.29Å; P339-E343 WeakPolarHBondContact CA-OE2 3.44Å; P339-E343 HydrophobicContact CB-CB 4.04Å; N340-E343 PolarHBondContact N-OE2 3.02Å; N340-E343 PolarHBondContact ND2-OE2 2.81Å; N340-E343 VanDerWaalsContact ND2-OE2 3.09Å; N340-E343 PolarHBondContact O-N 3.17Å; N340-E343 PolarHBondContact OD1-N 2.79Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.1Å; E343-A346 PolarHBondContact O-N 3.25Å; E343-A347 WeakPolarHBondContact O-CB 3.48Å; E343-A347 PolarHBondContact O-N 2.92Å; E343-Y379 HydrophobicContact CB-CE2 4.08Å
344	V	98.4	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.7	177.7	0	0	0	0	111.4	P339 N340 A347 F348 W376 Y379 F383 P463 L467	P339-V344 HydrophobicContact CB-CG2 4.33Å; P339-V344 HydrophobicContact CG-CG2 4.07Å; N340-V344 WeakPolarHBondContact O-CG2 3.46Å; N340-V344 PolarHBondContact O-N 2.96Å; V344-A347 PolarHBondContact O-N 3.24Å; V344-F348 PolarHBondContact O-N 2.75Å; V344-W376 HydrophobicContact CG1-CZ3 3.92Å; V344-Y379 HydrophobicContact CG2-CD2 4.28Å; V344-F383 HydrophobicContact CG2-CE2 4.47Å; V344-P463 HydrophobicContact CG1-CG 3.99Å; V344-L467 HydrophobicContact CG1-CD1 3.8Å; V344-L467 HydrophobicContact CG2-CD1 4.22Å
345	Q	97.8	Very high	95.5	Very high	35 Å²	35	50.4 Å²	50.4	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-45.7	174.7	175.6	62.2	16.5	0	0	112	I341 Q342 E343 A347 F348 V349 E461 P463	I341-Q345 WeakPolarHBondContact O-CB 3.44Å; I341-Q345 PolarHBondContact O-N 3.01Å; Q342-Q345 PolarHBondContact O-N 3.29Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.1Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 2.99Å; Q345-F348 PolarHBondContact O-N 3.02Å; Q345-V349 WeakPolarHBondContact O-CG2 3.46Å; Q345-V349 PolarHBondContact O-N 2.69Å; Q345-E461 WeakPolarHBondContact CB-O 3.19Å; Q345-E461 WeakPolarHBondContact CG-O 3.47Å; Q345-P463 VanDerWaalsContact OE1-CD 3.29Å
346	A	97.8	Very high	94.8	Very high	51 Å²	51	48.9 Å²	48.9	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-40.3	178.9	0	0	0	0	0	111.8	Q342 E343 V349 K350	Q342-A346 WeakPolarHBondContact O-CB 3.5Å; Q342-A346 PolarHBondContact O-N 3.01Å; E343-A346 PolarHBondContact O-N 3.25Å; A346-V349 PolarHBondContact O-N 3.16Å; A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 2.92Å; A346-K350 VanDerWaalsContact O-N 3.16Å
347	A	98.3	Very high	93.5	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-44.9	175.3	0	0	0	0	0	112	E343 V344 Q345 K350 L351 T374 W376 Y379	E343-A347 WeakPolarHBondContact O-CB 3.48Å; E343-A347 PolarHBondContact O-N 2.92Å; V344-A347 PolarHBondContact O-N 3.24Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 2.99Å; A347-K350 PolarHBondContact O-N 3.16Å; A347-L351 PolarHBondContact O-N 3.26Å; A347-T374 WeakPolarHBondContact CA-O 3.47Å; A347-T374 WeakPolarHBondContact CB-O 3.27Å; A347-W376 HydrophobicContact CB-CE3 4.38Å; A347-Y379 HydrophobicContact CB-CD2 3.79Å; A347-Y379 HydrophobicContact CB-CE2 3.75Å
348	F	97.1	Very high	92	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-40.1	177.5	177.9	-107.9	0	0	0	113.6	F141 V344 Q345 K350 L351 K352 W376 P463 L466	F141-F348 AromaticContact CE2-CE2 3.68Å; F141-F348 HydrophobicContact CE2-CE2 3.68Å; F141-F348 AromaticContact CE2-CZ 3.83Å; F141-F348 HydrophobicContact CE2-CZ 3.83Å; F141-F348 AromaticContact CZ-CE2 3.75Å; F141-F348 HydrophobicContact CZ-CE2 3.75Å; F141-F348 HydrophobicContact CZ-CZ 4.21Å; V344-F348 PolarHBondContact O-N 2.75Å; Q345-F348 PolarHBondContact O-N 3.02Å; F348-K350 VanDerWaalsContact C-N 3.29Å; F348-K350 PolarHBondContact O-N 2.61Å; F348-L351 PolarHBondContact O-N 3.4Å; F348-K352 WeakPolarHBondContact O-CB 3.49Å; F348-K352 PolarHBondContact O-N 3.24Å; F348-W376 HydrophobicContact CB-CE3 3.98Å; F348-W376 HydrophobicContact CB-CZ3 3.72Å; F348-W376 HydrophobicContact CD2-CH2 4.23Å; F348-W376 HydrophobicContact CD2-CZ3 4.15Å; F348-W376 HydrophobicContact CG-CZ3 4.36Å; F348-P463 HydrophobicContact CB-CB 4.34Å; F348-P463 HydrophobicContact CB-CG 3.47Å; F348-P463 VanDerWaalsContact CB-CG 3.47Å; F348-P463 HydrophobicContact CD1-CB 4.1Å; F348-P463 HydrophobicContact CD1-CG 4Å; F348-P463 HydrophobicContact CD2-CB 4.19Å; F348-P463 HydrophobicContact CD2-CG 4.18Å; F348-P463 HydrophobicContact CE1-CB 4.48Å; F348-P463 HydrophobicContact CG-CB 3.95Å; F348-P463 HydrophobicContact CG-CG 3.63Å; F348-L466 HydrophobicContact CD2-CD2 3.97Å; F348-L466 HydrophobicContact CE2-CD2 3.42Å; F348-L466 VanDerWaalsContact CE2-CD2 3.42Å; F348-L466 HydrophobicContact CZ-CD2 4.19Å
349	V	95	Very high	90.2	Very high	41 Å²	41	51.4 Å²	51.4	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-42.8	175.6	169.6	0	0	0	0	110.7	Q345 A346 K352 Q353	Q345-V349 WeakPolarHBondContact O-CG2 3.46Å; Q345-V349 PolarHBondContact O-N 2.69Å; A346-V349 PolarHBondContact O-N 3.16Å; V349-K352 PolarHBondContact O-N 3.37Å; V349-Q353 WeakPolarHBondContact O-CB 3.16Å; V349-Q353 VanDerWaalsContact O-CG 3.28Å; V349-Q353 WeakPolarHBondContact O-CG 3.47Å; V349-Q353 PolarHBondContact O-N 3.24Å
350	K	95.6	Very high	88.5	Confident	101 Å²	101	56.8 Å²	56.8	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-45.6	175.2	-69.8	175.9	179.1	-178.4	0	112.1	A346 A347 F348 K352 Q353 L354 T374	A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 2.92Å; A346-K350 VanDerWaalsContact O-N 3.16Å; A347-K350 PolarHBondContact O-N 3.16Å; F348-K350 VanDerWaalsContact C-N 3.29Å; F348-K350 PolarHBondContact O-N 2.61Å; K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 3.46Å; K350-Q353 PolarHBondContact O-N 3.34Å; K350-L354 WeakPolarHBondContact O-CB 3.42Å; K350-L354 PolarHBondContact O-N 3.49Å; K350-T374 HydrophobicContact CB-CG2 4.11Å
351	L	95.1	Very high	86.7	Confident	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-46.9	176.3	176.7	65.3	0	0	0	111.3	A347 F348 L354 C355 L371 T374 W376	A347-L351 PolarHBondContact O-N 3.26Å; F348-L351 PolarHBondContact O-N 3.4Å; L351-L354 WeakPolarHBondContact O-CB 3.31Å; L351-L354 PolarHBondContact O-N 3.09Å; L351-C355 PolarHBondContact O-N 2.79Å; L351-C355 PolarHBondContact O-SG 3.38Å; L351-L371 HydrophobicContact CD1-CD1 3.64Å; L351-T374 HydrophobicContact CB-CG2 4.19Å; L351-T374 HydrophobicContact CD1-CG2 4.45Å; L351-W376 HydrophobicContact CB-CB 4.37Å; L351-W376 HydrophobicContact CD2-CB 4Å; L351-W376 HydrophobicContact CD2-CD2 4.01Å; L351-W376 HydrophobicContact CD2-CG 3.57Å
352	K	91.8	Very high	85.2	Confident	19 Å²	19	64.5 Å²	64.5	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-49.9	177.9	-175	-175.2	70.7	-160.1	0	111.8	E106 F141 F348 V349 K350 L354 C355 V356	E106-K352 IonicContact OE1-NZ 2.62Å; E106-K352 PolarHBondContact OE1-NZ 2.99Å; E106-K352 IonicContact OE2-NZ 2.79Å; E106-K352 PolarHBondContact OE2-NZ 3.07Å; F141-K352 HydrophobicContact CD1-CB 4.29Å; F141-K352 HydrophobicContact CD1-CG 3.93Å; F141-K352 VanDerWaalsContact CE1-CA 3.45Å; F141-K352 HydrophobicContact CE1-CB 3.89Å; F141-K352 HydrophobicContact CE1-CG 4.05Å; F141-K352 HydrophobicContact CG-CG 4.26Å; F141-K352 HydrophobicContact CZ-CB 4.14Å; F141-K352 HydrophobicContact CZ-CG 4.42Å; F348-K352 WeakPolarHBondContact O-CB 3.49Å; F348-K352 PolarHBondContact O-N 3.24Å; V349-K352 PolarHBondContact O-N 3.37Å; K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 3.46Å; K352-L354 VanDerWaalsContact C-N 3.27Å; K352-L354 PolarHBondContact O-N 2.9Å; K352-C355 PolarHBondContact O-N 2.78Å; K352-C355 VanDerWaalsContact O-N 3.1Å; K352-V356 VanDerWaalsContact O-CG2 3.28Å; K352-V356 WeakPolarHBondContact O-CG2 3.35Å; K352-V356 PolarHBondContact O-N 2.78Å; K352-V356 VanDerWaalsContact O-N 3.08Å
353	Q	89.4	Confident	84.1	Confident	102 Å²	102	63.6 Å²	63.6	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-54.6	-45.8	176.9	-75.6	171.9	-7.6	0	0	111.3	V349 K350 C355 V356 N357	V349-Q353 WeakPolarHBondContact O-CB 3.16Å; V349-Q353 VanDerWaalsContact O-CG 3.28Å; V349-Q353 WeakPolarHBondContact O-CG 3.47Å; V349-Q353 PolarHBondContact O-N 3.24Å; K350-Q353 PolarHBondContact O-N 3.34Å; Q353-C355 VanDerWaalsContact C-N 3.32Å; Q353-C355 PolarHBondContact O-N 3.04Å; Q353-V356 PolarHBondContact O-N 2.97Å; Q353-N357 PolarHBondContact O-N 3.47Å; Q353-N357 PolarHBondContact O-ND2 3.37Å; Q353-N357 PolarHBondContact O-OD1 2.83Å; Q353-N357 VanDerWaalsContact O-OD1 3.09Å
354	L	89.4	Confident	83.4	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-44	176.9	-178.4	61	0	0	0	112	K350 L351 K352 V356 W367 L371 T374	K350-L354 WeakPolarHBondContact O-CB 3.42Å; K350-L354 PolarHBondContact O-N 3.49Å; L351-L354 WeakPolarHBondContact O-CB 3.31Å; L351-L354 PolarHBondContact O-N 3.09Å; K352-L354 VanDerWaalsContact C-N 3.27Å; K352-L354 PolarHBondContact O-N 2.9Å; L354-V356 VanDerWaalsContact C-N 3.35Å; L354-V356 PolarHBondContact O-N 2.96Å; L354-W367 HydrophobicContact CB-CZ3 4.5Å; L354-W367 HydrophobicContact CD1-CD2 4.47Å; L354-W367 HydrophobicContact CD1-CE3 3.54Å; L354-W367 HydrophobicContact CD1-CH2 4.01Å; L354-W367 HydrophobicContact CD1-CZ3 3.26Å; L354-W367 HydrophobicContact CD2-CE3 4.37Å; L354-W367 HydrophobicContact CD2-CH2 4.12Å; L354-W367 HydrophobicContact CD2-CZ2 4.31Å; L354-W367 HydrophobicContact CD2-CZ3 4.13Å; L354-W367 HydrophobicContact CG-CE3 3.91Å; L354-W367 HydrophobicContact CG-CH2 3.5Å; L354-W367 VanDerWaalsContact CG-CH2 3.5Å; L354-W367 HydrophobicContact CG-CZ2 4.18Å; L354-W367 HydrophobicContact CG-CZ3 3.32Å; L354-W367 WeakPolarHBondContact O-CH2 3.4Å; L354-W367 VanDerWaalsContact O-CZ3 3.31Å; L354-W367 WeakPolarHBondContact O-CZ3 3.34Å; L354-L371 HydrophobicContact CD2-CB 3.99Å; L354-L371 HydrophobicContact CD2-CD1 4.31Å; L354-T374 HydrophobicContact CD2-CG2 3.93Å
355	C	86.3	Confident	82.6	Confident	66 Å²	66	74.8 Å²	74.8	45%	0.446	38%	0.384	S	S	.	.	H	α-helix	trans	-74.5	-15.2	-179.9	-66.1	0	0	0	0	115.4	F141 L351 K352 Q353	F141-C355 HydrophobicContact CD1-CB 3.63Å; F141-C355 HydrophobicContact CE1-CB 3.78Å; L351-C355 PolarHBondContact O-N 2.79Å; L351-C355 PolarHBondContact O-SG 3.38Å; K352-C355 PolarHBondContact O-N 2.78Å; K352-C355 VanDerWaalsContact O-N 3.1Å; Q353-C355 VanDerWaalsContact C-N 3.32Å; Q353-C355 PolarHBondContact O-N 3.04Å
356	V	80.6	Confident	82	Confident	38 Å²	38	79.2 Å²	79.2	23%	0.23	40%	0.403	C	S	.	.	H	α-helix	trans	-111.9	2.7	-178.1	-62.4	0	0	0	0	114.4	F141 I143 K352 Q353 L354	F141-V356 HydrophobicContact CB-CG1 4.43Å; F141-V356 WeakPolarHBondContact O-CG1 3.39Å; I143-V356 HydrophobicContact CD1-CB 3.84Å; I143-V356 HydrophobicContact CD1-CG1 4.33Å; I143-V356 HydrophobicContact CD1-CG2 4.32Å; K352-V356 VanDerWaalsContact O-CG2 3.28Å; K352-V356 WeakPolarHBondContact O-CG2 3.35Å; K352-V356 PolarHBondContact O-N 2.78Å; K352-V356 VanDerWaalsContact O-N 3.08Å; Q353-V356 PolarHBondContact O-N 2.97Å; L354-V356 VanDerWaalsContact C-N 3.35Å; L354-V356 PolarHBondContact O-N 2.96Å
357	N	69.3	Low	81.6	Confident	93 Å²	93	79.5 Å²	79.5	50%	0.497	39%	0.393	S	S	.	.			trans	-73.1	128.8	178.2	-75.1	-21.1	0	0	0	111.1	Q353	Q353-N357 PolarHBondContact O-N 3.47Å; Q353-N357 PolarHBondContact O-ND2 3.37Å; Q353-N357 PolarHBondContact O-OD1 2.83Å; Q353-N357 VanDerWaalsContact O-OD1 3.09Å
358	E	65.1	Low	81.3	Confident	124 Å²	124	83.9 Å²	83.9	58%	0.579	42%	0.416	S	S	*	.	S	Bend	trans	-128.9	139.3	177	-75.9	-71	162.4	0	0	109.9	T57	T57-E358 HydrophobicContact CG2-CG 4.39Å
359	P	61.3	Low	81	Confident	91 Å²	91	86.3 Å²	86.3	59%	0.591	43%	0.434	S	S	*	.	S	Bend	cis	-80.6	146.3	-0.8	32	-33	0	0	0	112.9	E361	P359-E361 HydrophobicContact CB-CG 4.18Å; P359-E361 HydrophobicContact CG-CG 4.18Å; P359-E361 PolarHBondContact O-N 2.91Å
360	F	60.6	Low	81	Confident	124 Å²	124	86.1 Å²	86.1	54%	0.544	43%	0.434	S	S	.	.			trans	-72.1	72	174	-165.8	-90.2	0	0	0	110.6	W367	F360-W367 HydrophobicContact CD2-CE3 4.46Å; F360-W367 HydrophobicContact CD2-CZ3 4.19Å; F360-W367 AromaticContact CE2-CD2 3.97Å; F360-W367 HydrophobicContact CE2-CD2 3.97Å; F360-W367 AromaticContact CE2-CE3 3.48Å; F360-W367 HydrophobicContact CE2-CE3 3.48Å; F360-W367 VanDerWaalsContact CE2-CE3 3.48Å; F360-W367 AromaticContact CE2-CH2 3.88Å; F360-W367 HydrophobicContact CE2-CH2 3.88Å; F360-W367 HydrophobicContact CE2-CZ2 4.38Å; F360-W367 AromaticContact CE2-CZ3 3.41Å; F360-W367 HydrophobicContact CE2-CZ3 3.41Å; F360-W367 VanDerWaalsContact CE2-CZ3 3.41Å; F360-W367 HydrophobicContact CZ-CD2 4.01Å; F360-W367 AromaticContact CZ-CE3 3.91Å; F360-W367 HydrophobicContact CZ-CE3 3.91Å; F360-W367 HydrophobicContact CZ-CG 4.39Å; F360-W367 HydrophobicContact CZ-CZ3 4.27Å
361	E	59.7	Low	80.9	Confident	172 Å²	172	83 Å²	83	80%	0.804	42%	0.422	S	S	*	.			trans	-103.2	34.7	175.6	-65.7	-173.6	-178.6	0	0	111.8	P359	P359-E361 HydrophobicContact CB-CG 4.18Å; P359-E361 HydrophobicContact CG-CG 4.18Å; P359-E361 PolarHBondContact O-N 2.91Å
362	E	64.8	Low	80.9	Confident	75 Å²	75	89.3 Å²	89.3	35%	0.35	45%	0.451	S	S	.	.			trans	-93.5	139.3	176.6	-70.5	-166.6	177.8	0	0	111.8	K366	E362-K366 HydrophobicContact CB-CB 4.48Å
363	T	75.9	Confident	81.2	Confident	78 Å²	78	93.7 Å²	93.7	48%	0.479	48%	0.476	S	S	.	.			trans	-68.4	150.5	166.4	58.8	0	0	0	0	109.5	E365 K366 W367	T363-E365 VanDerWaalsContact C-N 3.25Å; T363-E365 PolarHBondContact O-N 3.07Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 3.32Å; T363-K366 WeakPolarHBondContact OG1-CD 3.38Å; T363-K366 VanDerWaalsContact OG1-CG 3.31Å; T363-K366 WeakPolarHBondContact OG1-CG 3.45Å; T363-W367 PolarHBondContact O-N 3.3Å
364	E	81.3	Confident	81.6	Confident	154 Å²	154	89 Å²	89	72%	0.72	45%	0.454	S	S	*	.	H	α-helix	trans	-52.7	-41.3	-179.7	-175.1	175.7	-173.3	0	0	112.8	K366 W367 L368	E364-K366 PolarHBondContact O-N 3.35Å; E364-W367 WeakPolarHBondContact O-CB 3.43Å; E364-W367 PolarHBondContact O-N 3.35Å; E364-L368 HydrophobicContact CG-CD1 4.22Å; E364-L368 WeakPolarHBondContact O-CG 3.2Å; E364-L368 PolarHBondContact O-N 2.93Å
365	E	83.1	Confident	82	Confident	156 Å²	156	94.4 Å²	94.4	73%	0.729	47%	0.473	S	S	*	.	H	α-helix	trans	-62.6	-39.4	177.4	-65.9	177.7	175.2	0	0	113.2	T363 S369	T363-E365 VanDerWaalsContact C-N 3.25Å; T363-E365 PolarHBondContact O-N 3.07Å; E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.39Å; E365-S369 PolarHBondContact O-OG 2.71Å
366	K	85.7	Confident	82.6	Confident	129 Å²	129	91.5 Å²	91.5	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-68.6	-42.1	176	-74	177.9	-177	179.2	0	110.3	E362 T363 E364 S369 S370	E362-K366 HydrophobicContact CB-CB 4.48Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 3.32Å; T363-K366 WeakPolarHBondContact OG1-CD 3.38Å; T363-K366 VanDerWaalsContact OG1-CG 3.31Å; T363-K366 WeakPolarHBondContact OG1-CG 3.45Å; E364-K366 PolarHBondContact O-N 3.35Å; K366-S369 PolarHBondContact O-N 2.98Å; K366-S370 WeakPolarHBondContact O-CB 3.45Å; K366-S370 PolarHBondContact O-N 3.42Å; K366-S370 PolarHBondContact O-OG 3.19Å; K366-S370 VanDerWaalsContact O-OG 3.05Å
367	W	88.3	Confident	83.4	Confident	57 Å²	57	93.9 Å²	93.9	22%	0.216	46%	0.464	C	S	.	.	H	α-helix	trans	-60	-48.7	176.5	175.3	-101.1	0	0	0	112.2	L354 F360 T363 E364 S369 S370 L371	L354-W367 HydrophobicContact CB-CZ3 4.5Å; L354-W367 HydrophobicContact CD1-CD2 4.47Å; L354-W367 HydrophobicContact CD1-CE3 3.54Å; L354-W367 HydrophobicContact CD1-CH2 4.01Å; L354-W367 HydrophobicContact CD1-CZ3 3.26Å; L354-W367 HydrophobicContact CD2-CE3 4.37Å; L354-W367 HydrophobicContact CD2-CH2 4.12Å; L354-W367 HydrophobicContact CD2-CZ2 4.31Å; L354-W367 HydrophobicContact CD2-CZ3 4.13Å; L354-W367 HydrophobicContact CG-CE3 3.91Å; L354-W367 HydrophobicContact CG-CH2 3.5Å; L354-W367 VanDerWaalsContact CG-CH2 3.5Å; L354-W367 HydrophobicContact CG-CZ2 4.18Å; L354-W367 HydrophobicContact CG-CZ3 3.32Å; L354-W367 WeakPolarHBondContact O-CH2 3.4Å; L354-W367 VanDerWaalsContact O-CZ3 3.31Å; L354-W367 WeakPolarHBondContact O-CZ3 3.34Å; F360-W367 HydrophobicContact CD2-CE3 4.46Å; F360-W367 HydrophobicContact CD2-CZ3 4.19Å; F360-W367 AromaticContact CE2-CD2 3.97Å; F360-W367 HydrophobicContact CE2-CD2 3.97Å; F360-W367 AromaticContact CE2-CE3 3.48Å; F360-W367 HydrophobicContact CE2-CE3 3.48Å; F360-W367 VanDerWaalsContact CE2-CE3 3.48Å; F360-W367 AromaticContact CE2-CH2 3.88Å; F360-W367 HydrophobicContact CE2-CH2 3.88Å; F360-W367 HydrophobicContact CE2-CZ2 4.38Å; F360-W367 AromaticContact CE2-CZ3 3.41Å; F360-W367 HydrophobicContact CE2-CZ3 3.41Å; F360-W367 VanDerWaalsContact CE2-CZ3 3.41Å; F360-W367 HydrophobicContact CZ-CD2 4.01Å; F360-W367 AromaticContact CZ-CE3 3.91Å; F360-W367 HydrophobicContact CZ-CE3 3.91Å; F360-W367 HydrophobicContact CZ-CG 4.39Å; F360-W367 HydrophobicContact CZ-CZ3 4.27Å; T363-W367 PolarHBondContact O-N 3.3Å; E364-W367 WeakPolarHBondContact O-CB 3.43Å; E364-W367 PolarHBondContact O-N 3.35Å; W367-S369 VanDerWaalsContact C-N 3.31Å; W367-S369 PolarHBondContact O-N 3.09Å; W367-S370 WeakPolarHBondContact O-CB 3.33Å; W367-S370 PolarHBondContact O-N 2.93Å; W367-L371 WeakPolarHBondContact O-CB 3.43Å; W367-L371 PolarHBondContact O-N 3.21Å
368	L	91.2	Very high	84.8	Confident	95 Å²	95	93.7 Å²	93.7	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-40.4	178.4	-69.5	174.2	0	0	0	111.6	E364 L371 E372	E364-L368 HydrophobicContact CG-CD1 4.22Å; E364-L368 WeakPolarHBondContact O-CG 3.2Å; E364-L368 PolarHBondContact O-N 2.93Å; L368-L371 PolarHBondContact O-N 3.47Å; L368-E372 PolarHBondContact O-N 3.43Å
369	S	92.8	Very high	86.4	Confident	62 Å²	62	88.6 Å²	88.6	43%	0.434	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-43.8	174.4	-58.3	0	0	0	0	111.5	E365 K366 W367 L371 E372 N373	E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.39Å; E365-S369 PolarHBondContact O-OG 2.71Å; K366-S369 PolarHBondContact O-N 2.98Å; W367-S369 VanDerWaalsContact C-N 3.31Å; W367-S369 PolarHBondContact O-N 3.09Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-E372 PolarHBondContact O-N 3.01Å; S369-N373 WeakPolarHBondContact O-CB 3.49Å; S369-N373 PolarHBondContact O-N 2.79Å; S369-N373 PolarHBondContact O-ND2 3.27Å
370	S	93.2	Very high	88.2	Confident	37 Å²	37	84.5 Å²	84.5	26%	0.259	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-41.4	174.8	-68.7	0	0	0	0	111.7	K366 W367 N373 T374	K366-S370 WeakPolarHBondContact O-CB 3.45Å; K366-S370 PolarHBondContact O-N 3.42Å; K366-S370 PolarHBondContact O-OG 3.19Å; K366-S370 VanDerWaalsContact O-OG 3.05Å; W367-S370 WeakPolarHBondContact O-CB 3.33Å; W367-S370 PolarHBondContact O-N 2.93Å; S370-N373 WeakPolarHBondContact O-CB 3.48Å; S370-N373 PolarHBondContact O-N 3.42Å; S370-T374 WeakPolarHBondContact O-CG2 3.43Å; S370-T374 PolarHBondContact O-N 3.25Å
371	L	94	Very high	90	Very high	36 Å²	36	86.6 Å²	86.6	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-63.6	-46	176.4	179.4	62.1	0	0	0	111.3	L351 L354 W367 L368 S369 N373 T374 L377	L351-L371 HydrophobicContact CD1-CD1 3.64Å; L354-L371 HydrophobicContact CD2-CB 3.99Å; L354-L371 HydrophobicContact CD2-CD1 4.31Å; W367-L371 WeakPolarHBondContact O-CB 3.43Å; W367-L371 PolarHBondContact O-N 3.21Å; L368-L371 PolarHBondContact O-N 3.47Å; S369-L371 VanDerWaalsContact C-N 3.34Å; L371-N373 VanDerWaalsContact C-N 3.29Å; L371-N373 PolarHBondContact O-N 3.23Å; L371-T374 WeakPolarHBondContact O-CB 3.24Å; L371-T374 WeakPolarHBondContact O-CG2 3.22Å; L371-T374 PolarHBondContact O-N 3.18Å; L371-T374 VanDerWaalsContact O-N 3.09Å; L371-T374 PolarHBondContact O-OG1 2.96Å; L371-L377 HydrophobicContact CD2-CD1 3.98Å; L371-L377 HydrophobicContact CG-CD1 4.24Å
372	E	96.1	Very high	91.9	Very high	154 Å²	154	79.9 Å²	79.9	72%	0.72	39%	0.387	S	S	*	.	H	α-helix	trans	-58.8	-42.1	174.4	-175	172.6	-155.2	0	0	111.2	L368 S369 T374 R375	L368-E372 PolarHBondContact O-N 3.43Å; S369-E372 PolarHBondContact O-N 3.01Å; E372-T374 PolarHBondContact O-N 3.47Å; E372-T374 VanDerWaalsContact O-N 3.12Å; E372-R375 PolarHBondContact O-N 3.02Å
373	N	96.6	Very high	93.5	Very high	112 Å²	112	76.3 Å²	76.3	60%	0.599	37%	0.37	S	S	*	.	H	α-helix	trans	-63.7	-16.4	177.1	-74.5	-37.9	0	0	0	114.4	S369 S370 L371 R375	S369-N373 WeakPolarHBondContact O-CB 3.49Å; S369-N373 PolarHBondContact O-N 2.79Å; S369-N373 PolarHBondContact O-ND2 3.27Å; S370-N373 WeakPolarHBondContact O-CB 3.48Å; S370-N373 PolarHBondContact O-N 3.42Å; L371-N373 VanDerWaalsContact C-N 3.29Å; L371-N373 PolarHBondContact O-N 3.23Å; N373-R375 VanDerWaalsContact C-N 3.29Å
374	T	97.7	Very high	94.6	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-28.5	170.7	74.7	0	0	0	0	112	A347 K350 L351 L354 S370 L371 E372 W376	A347-T374 WeakPolarHBondContact CA-O 3.47Å; A347-T374 WeakPolarHBondContact CB-O 3.27Å; K350-T374 HydrophobicContact CB-CG2 4.11Å; L351-T374 HydrophobicContact CB-CG2 4.19Å; L351-T374 HydrophobicContact CD1-CG2 4.45Å; L354-T374 HydrophobicContact CD2-CG2 3.93Å; S370-T374 WeakPolarHBondContact O-CG2 3.43Å; S370-T374 PolarHBondContact O-N 3.25Å; L371-T374 WeakPolarHBondContact O-CB 3.24Å; L371-T374 WeakPolarHBondContact O-CG2 3.22Å; L371-T374 PolarHBondContact O-N 3.18Å; L371-T374 VanDerWaalsContact O-N 3.09Å; L371-T374 PolarHBondContact O-OG1 2.96Å; E372-T374 PolarHBondContact O-N 3.47Å; E372-T374 VanDerWaalsContact O-N 3.12Å; T374-W376 PolarHBondContact O-N 3.35Å; T374-W376 PolarHBondContact OG1-N 2.87Å
375	R	98.4	Very high	95.4	Very high	127 Å²	127	72.8 Å²	72.8	48%	0.479	35%	0.347	S	S	.	.			trans	61.8	5.4	-170.1	-54.5	-173.4	176.6	173.8	-5.7	115.9	E372 N373 L377 E378 Y379	E372-R375 PolarHBondContact O-N 3.02Å; N373-R375 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 3.05Å; R375-E378 HydrophobicContact CB-CB 4.38Å; R375-E378 WeakPolarHBondContact O-CB 3.47Å; R375-E378 PolarHBondContact O-N 2.81Å; R375-Y379 HydrophobicContact CB-CE1 4.42Å; R375-Y379 HydrophobicContact CB-CE2 4.22Å; R375-Y379 PolarHBondContact O-N 3.14Å
376	W	98.5	Very high	96.2	Very high	5 Å²	5	66.1 Å²	66.1	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-51.5	-178.3	-179.2	-101.1	0	0	0	112	V344 A347 F348 L351 T374 E378 Y379 V380 P463 L466 L467 D470	V344-W376 HydrophobicContact CG1-CZ3 3.92Å; A347-W376 HydrophobicContact CB-CE3 4.38Å; F348-W376 HydrophobicContact CB-CE3 3.98Å; F348-W376 HydrophobicContact CB-CZ3 3.72Å; F348-W376 HydrophobicContact CD2-CH2 4.23Å; F348-W376 HydrophobicContact CD2-CZ3 4.15Å; F348-W376 HydrophobicContact CG-CZ3 4.36Å; L351-W376 HydrophobicContact CB-CB 4.37Å; L351-W376 HydrophobicContact CD2-CB 4Å; L351-W376 HydrophobicContact CD2-CD2 4.01Å; L351-W376 HydrophobicContact CD2-CG 3.57Å; T374-W376 PolarHBondContact O-N 3.35Å; T374-W376 PolarHBondContact OG1-N 2.87Å; W376-E378 VanDerWaalsContact C-N 3.29Å; W376-E378 PolarHBondContact O-N 2.92Å; W376-Y379 PolarHBondContact O-N 3.21Å; W376-Y379 VanDerWaalsContact O-N 3.16Å; W376-V380 WeakPolarHBondContact O-CG2 3.43Å; W376-V380 PolarHBondContact O-N 3.22Å; W376-P463 HydrophobicContact CH2-CB 4.25Å; W376-P463 HydrophobicContact CH2-CG 3.93Å; W376-P463 HydrophobicContact CZ3-CG 3.74Å; W376-L466 HydrophobicContact CH2-CD2 4.33Å; W376-L466 HydrophobicContact CH2-CG 4.35Å; W376-L466 HydrophobicContact CZ2-CD2 4.21Å; W376-L466 HydrophobicContact CZ2-CG 4.1Å; W376-L467 HydrophobicContact CH2-CB 3.76Å; W376-L467 HydrophobicContact CH2-CD1 4.43Å; W376-L467 HydrophobicContact CH2-CG 4.47Å; W376-L467 HydrophobicContact CZ2-CB 4.12Å; W376-L467 HydrophobicContact CZ3-CB 4.48Å; W376-L467 HydrophobicContact CZ3-CD1 4.42Å; W376-D470 PolarHBondContact NE1-OD2 3.44Å
377	L	98.4	Very high	96.8	Very high	88 Å²	88	60 Å²	60	46%	0.461	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-29.8	178.5	-61.9	-179.7	0	0	0	112.8	L371 R375 Y379 R381	L371-L377 HydrophobicContact CD2-CD1 3.98Å; L371-L377 HydrophobicContact CG-CD1 4.24Å; R375-L377 PolarHBondContact O-N 3.05Å; L377-Y379 VanDerWaalsContact C-N 3.35Å; L377-R381 WeakPolarHBondContact O-CB 3.4Å; L377-R381 PolarHBondContact O-N 2.9Å
378	E	98.5	Very high	97.3	Very high	88 Å²	88	59.6 Å²	59.6	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-44.8	172.5	-177	-170	165.8	0	0	110.7	R375 W376 R381 A382	R375-E378 HydrophobicContact CB-CB 4.38Å; R375-E378 WeakPolarHBondContact O-CB 3.47Å; R375-E378 PolarHBondContact O-N 2.81Å; W376-E378 VanDerWaalsContact C-N 3.29Å; W376-E378 PolarHBondContact O-N 2.92Å; E378-R381 WeakPolarHBondContact O-CB 3.29Å; E378-R381 PolarHBondContact O-N 3.16Å; E378-A382 WeakPolarHBondContact O-CB 3.41Å; E378-A382 PolarHBondContact O-N 2.79Å
379	Y	98.8	Very high	97.7	Very high	18 Å²	18	59.6 Å²	59.6	7%	0.071	30%	0.296	C	S	.	.	H	α-helix	trans	-70.6	-43.3	178.4	-64	-19.3	0	0	0	111.9	P339 E343 V344 A347 R375 W376 L377 R381 A382 F383	P339-Y379 HydrophobicContact CB-CD1 3.84Å; P339-Y379 HydrophobicContact CB-CD2 4.22Å; P339-Y379 HydrophobicContact CB-CE1 3.64Å; P339-Y379 HydrophobicContact CB-CE2 4.07Å; P339-Y379 HydrophobicContact CB-CG 4.11Å; P339-Y379 HydrophobicContact CG-CD1 3.55Å; P339-Y379 HydrophobicContact CG-CD2 4.12Å; P339-Y379 HydrophobicContact CG-CE1 3.92Å; P339-Y379 HydrophobicContact CG-CE2 4.47Å; P339-Y379 HydrophobicContact CG-CG 3.65Å; E343-Y379 HydrophobicContact CB-CE2 4.08Å; V344-Y379 HydrophobicContact CG2-CD2 4.28Å; A347-Y379 HydrophobicContact CB-CD2 3.79Å; A347-Y379 HydrophobicContact CB-CE2 3.75Å; R375-Y379 HydrophobicContact CB-CE1 4.42Å; R375-Y379 HydrophobicContact CB-CE2 4.22Å; R375-Y379 PolarHBondContact O-N 3.14Å; W376-Y379 PolarHBondContact O-N 3.21Å; W376-Y379 VanDerWaalsContact O-N 3.16Å; L377-Y379 VanDerWaalsContact C-N 3.35Å; Y379-R381 VanDerWaalsContact C-N 3.26Å; Y379-R381 PolarHBondContact O-N 2.98Å; Y379-A382 WeakPolarHBondContact O-CB 3.38Å; Y379-A382 PolarHBondContact O-N 3.34Å; Y379-F383 VanDerWaalsContact O-CD2 3.32Å; Y379-F383 WeakPolarHBondContact O-CD2 3.45Å; Y379-F383 PolarHBondContact O-N 3Å
380	V	98.9	Very high	98	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-52.9	-47.1	171.5	173.6	0	0	0	0	110.6	W376 A382 F383 L384 L467 D470 A471 Q474	W376-V380 WeakPolarHBondContact O-CG2 3.43Å; W376-V380 PolarHBondContact O-N 3.22Å; V380-A382 PolarHBondContact O-N 3.23Å; V380-F383 PolarHBondContact O-N 3.34Å; V380-L384 HydrophobicContact CG1-CD1 3.98Å; V380-L384 WeakPolarHBondContact O-CG 3.48Å; V380-L384 PolarHBondContact O-N 2.59Å; V380-L384 VanDerWaalsContact O-N 3.09Å; V380-L467 HydrophobicContact CG2-CG 4.25Å; V380-D470 HydrophobicContact CG2-CB 4.34Å; V380-A471 HydrophobicContact CG1-CB 4.25Å; V380-Q474 HydrophobicContact CG1-CG 3.78Å
381	R	98.7	Very high	98.2	Very high	168 Å²	168	56.3 Å²	56.3	63%	0.634	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-42.5	175.2	-179	-175.5	68.7	-176.6	-1.3	112.6	L377 E378 Y379 L384 K385	L377-R381 WeakPolarHBondContact O-CB 3.4Å; L377-R381 PolarHBondContact O-N 2.9Å; E378-R381 WeakPolarHBondContact O-CB 3.29Å; E378-R381 PolarHBondContact O-N 3.16Å; Y379-R381 VanDerWaalsContact C-N 3.26Å; Y379-R381 PolarHBondContact O-N 2.98Å; R381-L384 PolarHBondContact O-N 3.41Å; R381-K385 VanDerWaalsContact O-CB 3.23Å; R381-K385 WeakPolarHBondContact O-CB 3.39Å; R381-K385 PolarHBondContact O-N 2.9Å
382	A	98.8	Very high	98.5	Very high	31 Å²	31	60.2 Å²	60.2	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-46.5	-179.5	0	0	0	0	0	111.9	L338 E378 Y379 V380 K385 H386	L338-A382 HydrophobicContact CD2-CB 4.29Å; E378-A382 WeakPolarHBondContact O-CB 3.41Å; E378-A382 PolarHBondContact O-N 2.79Å; Y379-A382 WeakPolarHBondContact O-CB 3.38Å; Y379-A382 PolarHBondContact O-N 3.34Å; V380-A382 PolarHBondContact O-N 3.23Å; A382-K385 PolarHBondContact O-N 3.28Å; A382-H386 WeakPolarHBondContact O-CB 3.38Å; A382-H386 PolarHBondContact O-N 2.83Å
383	F	98.9	Very high	98.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-42.3	176.7	-81.5	-96	0	0	0	112.4	L338 P339 V344 Y379 V380 S387 L411 C414 V415 L418 L464 L467	L338-F383 HydrophobicContact CB-CZ 4.25Å; L338-F383 HydrophobicContact CD1-CD1 3.85Å; L338-F383 HydrophobicContact CD1-CE1 3.73Å; L338-F383 HydrophobicContact CD1-CG 4.48Å; L338-F383 HydrophobicContact CD1-CZ 4.26Å; L338-F383 HydrophobicContact CD2-CD1 4.38Å; L338-F383 HydrophobicContact CD2-CD2 4.25Å; L338-F383 HydrophobicContact CD2-CG 4.2Å; P339-F383 HydrophobicContact CG-CE2 3.77Å; V344-F383 HydrophobicContact CG2-CE2 4.47Å; Y379-F383 VanDerWaalsContact O-CD2 3.32Å; Y379-F383 WeakPolarHBondContact O-CD2 3.45Å; Y379-F383 PolarHBondContact O-N 3Å; V380-F383 PolarHBondContact O-N 3.34Å; F383-S387 VanDerWaalsContact O-CB 3.29Å; F383-S387 WeakPolarHBondContact O-CB 3.3Å; F383-S387 PolarHBondContact O-N 3.38Å; F383-S387 PolarHBondContact O-OG 2.82Å; F383-L411 HydrophobicContact CE1-CD2 4.36Å; F383-L411 HydrophobicContact CZ-CD2 3.96Å; F383-C414 HydrophobicContact CD1-CB 4.02Å; F383-C414 WeakPolarHBondContact CD1-SG 3.12Å; F383-C414 HydrophobicContact CE1-CB 3.95Å; F383-V415 HydrophobicContact CD1-CG2 4.04Å; F383-V415 HydrophobicContact CE1-CG2 4.37Å; F383-L418 HydrophobicContact CB-CD1 4.07Å; F383-L464 HydrophobicContact CE1-CD1 4.07Å; F383-L464 HydrophobicContact CE2-CD1 4.41Å; F383-L464 HydrophobicContact CZ-CD1 3.72Å; F383-L467 HydrophobicContact CB-CD2 4.05Å; F383-L467 HydrophobicContact CD1-CD2 4.17Å; F383-L467 HydrophobicContact CD2-CD1 4.15Å; F383-L467 HydrophobicContact CD2-CD2 3.5Å; F383-L467 VanDerWaalsContact CD2-CD2 3.5Å; F383-L467 HydrophobicContact CD2-CG 4.49Å; F383-L467 HydrophobicContact CE2-CD1 4.1Å; F383-L467 HydrophobicContact CE2-CD2 3.89Å; F383-L467 HydrophobicContact CG-CD2 3.65Å; F383-L467 HydrophobicContact CZ-CD2 4.39Å
384	L	98.9	Very high	98.7	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-47	176.7	-76.9	170.6	0	0	0	111.9	V380 R381 S387 A388 L418 M422 A471 Q474 L475	V380-L384 HydrophobicContact CG1-CD1 3.98Å; V380-L384 WeakPolarHBondContact O-CG 3.48Å; V380-L384 PolarHBondContact O-N 2.59Å; V380-L384 VanDerWaalsContact O-N 3.09Å; R381-L384 PolarHBondContact O-N 3.41Å; L384-S387 PolarHBondContact O-N 3.11Å; L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 3.12Å; L384-L418 HydrophobicContact CD2-CD2 4.31Å; L384-M422 HydrophobicContact CD2-CE 3.79Å; L384-A471 HydrophobicContact CD1-CB 4.38Å; L384-A471 HydrophobicContact CD2-CB 3.95Å; L384-A471 HydrophobicContact CG-CB 3.95Å; L384-Q474 HydrophobicContact CD1-CB 3.89Å; L384-Q474 HydrophobicContact CD1-CG 4.11Å; L384-L475 HydrophobicContact CD2-CD1 4.15Å; L384-L475 HydrophobicContact CD2-CD2 4.1Å; L384-L475 HydrophobicContact CD2-CG 3.97Å
385	K	98.8	Very high	98.6	Very high	132 Å²	132	52.9 Å²	52.9	57%	0.574	25%	0.247	S	C	*	.	H	α-helix	trans	-60	-51.2	178.8	-179.4	-176.1	172.3	-170.1	0	111.1	R381 A382 S387 A388 E389	R381-K385 VanDerWaalsContact O-CB 3.23Å; R381-K385 WeakPolarHBondContact O-CB 3.39Å; R381-K385 PolarHBondContact O-N 2.9Å; A382-K385 PolarHBondContact O-N 3.28Å; K385-S387 VanDerWaalsContact C-N 3.33Å; K385-S387 PolarHBondContact O-N 3.08Å; K385-A388 PolarHBondContact O-N 2.98Å; K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 WeakPolarHBondContact O-CG 3.43Å; K385-E389 PolarHBondContact O-N 2.78Å
386	H	98.9	Very high	98.6	Very high	17 Å²	17	50 Å²	50	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-42.9	179.6	-168.8	67.6	0	0	0	111.6	S332 L334 L338 A382 A388 E389 L390	S332-H386 PolarHBondContact OG-CE1 3.18Å; S332-H386 PolarHBondContact OG-NE2 2.85Å; L334-H386 WeakPolarHBondContact CD2-NE2 3.39Å; L338-H386 HydrophobicContact CD2-CB 4.01Å; A382-H386 WeakPolarHBondContact O-CB 3.38Å; A382-H386 PolarHBondContact O-N 2.83Å; H386-A388 VanDerWaalsContact C-N 3.34Å; H386-A388 PolarHBondContact O-N 3.37Å; H386-E389 WeakPolarHBondContact O-CB 3.33Å; H386-E389 PolarHBondContact O-N 3.02Å; H386-L390 WeakPolarHBondContact O-CG 3.5Å; H386-L390 PolarHBondContact O-N 3.22Å; H386-L390 VanDerWaalsContact O-N 3.09Å
387	S	98.9	Very high	98.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-41.6	176.2	-57.2	0	0	0	0	111.8	F383 L384 K385 E389 L390 V391 L418	F383-S387 VanDerWaalsContact O-CB 3.29Å; F383-S387 WeakPolarHBondContact O-CB 3.3Å; F383-S387 PolarHBondContact O-N 3.38Å; F383-S387 PolarHBondContact O-OG 2.82Å; L384-S387 PolarHBondContact O-N 3.11Å; K385-S387 VanDerWaalsContact C-N 3.33Å; K385-S387 PolarHBondContact O-N 3.08Å; S387-E389 VanDerWaalsContact C-N 3.34Å; S387-E389 PolarHBondContact O-N 2.86Å; S387-L390 PolarHBondContact O-N 3Å; S387-V391 WeakPolarHBondContact O-CG2 3.37Å; S387-V391 PolarHBondContact O-N 3.37Å; S387-L418 WeakPolarHBondContact OG-CB 3.45Å
388	A	98.8	Very high	98.5	Very high	49 Å²	49	54.3 Å²	54.3	41%	0.405	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-36.3	176.5	0	0	0	0	0	112.8	L384 K385 H386 L390 V391 Y392	L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 3.12Å; K385-A388 PolarHBondContact O-N 2.98Å; H386-A388 VanDerWaalsContact C-N 3.34Å; H386-A388 PolarHBondContact O-N 3.37Å; A388-L390 VanDerWaalsContact C-N 3.35Å; A388-V391 WeakPolarHBondContact O-CB 3.25Å; A388-V391 PolarHBondContact O-N 3.17Å; A388-Y392 PolarHBondContact O-N 3.36Å
389	E	98.8	Very high	98.5	Very high	95 Å²	95	51.8 Å²	51.8	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-41.2	173.1	-70.2	170.5	-176.8	0	0	111.3	K385 H386 S387 Y392 M393	K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 WeakPolarHBondContact O-CG 3.43Å; K385-E389 PolarHBondContact O-N 2.78Å; H386-E389 WeakPolarHBondContact O-CB 3.33Å; H386-E389 PolarHBondContact O-N 3.02Å; S387-E389 VanDerWaalsContact C-N 3.34Å; S387-E389 PolarHBondContact O-N 2.86Å; E389-Y392 WeakPolarHBondContact O-CB 3.32Å; E389-Y392 PolarHBondContact O-N 2.62Å; E389-M393 WeakPolarHBondContact O-CG 3.44Å; E389-M393 PolarHBondContact O-N 3.29Å; E389-M393 VanDerWaalsContact O-N 3.14Å
390	L	98.8	Very high	98.5	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-33.6	176.4	-60.8	-179.5	0	0	0	112.9	Y330 H386 S387 A388 Y392 M393 L394 V401 L403 V415 V419	Y330-L390 HydrophobicContact CD1-CD2 4.06Å; Y330-L390 HydrophobicContact CE1-CD2 3.72Å; H386-L390 WeakPolarHBondContact O-CG 3.5Å; H386-L390 PolarHBondContact O-N 3.22Å; H386-L390 VanDerWaalsContact O-N 3.09Å; S387-L390 PolarHBondContact O-N 3Å; A388-L390 VanDerWaalsContact C-N 3.35Å; L390-Y392 VanDerWaalsContact C-N 3.3Å; L390-Y392 PolarHBondContact O-N 3.39Å; L390-M393 WeakPolarHBondContact O-CB 3.32Å; L390-M393 PolarHBondContact O-N 3.43Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 3.21Å; L390-V401 HydrophobicContact CD1-CG1 4.33Å; L390-V401 HydrophobicContact CD2-CG1 3.97Å; L390-L403 HydrophobicContact CD1-CD2 3.43Å; L390-L403 VanDerWaalsContact CD1-CD2 3.43Å; L390-V415 HydrophobicContact CD1-CG1 3.54Å; L390-V419 HydrophobicContact CB-CG2 4.05Å
391	V	98.9	Very high	98.5	Very high	28 Å²	28	50.7 Å²	50.7	17%	0.17	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-44.7	169.1	164.5	0	0	0	0	110.4	S387 A388 M393 L394 E395 V419 M422 L423	S387-V391 WeakPolarHBondContact O-CG2 3.37Å; S387-V391 PolarHBondContact O-N 3.37Å; A388-V391 WeakPolarHBondContact O-CB 3.25Å; A388-V391 PolarHBondContact O-N 3.17Å; V391-M393 VanDerWaalsContact C-N 3.31Å; V391-M393 PolarHBondContact O-N 3.33Å; V391-L394 PolarHBondContact O-N 3.32Å; V391-E395 VanDerWaalsContact O-CB 3.27Å; V391-E395 WeakPolarHBondContact O-CB 3.44Å; V391-E395 PolarHBondContact O-N 3.24Å; V391-V419 HydrophobicContact CG2-CB 4.39Å; V391-V419 HydrophobicContact CG2-CG1 4.09Å; V391-V419 HydrophobicContact CG2-CG2 4.36Å; V391-M422 HydrophobicContact CG2-CB 3.87Å; V391-M422 HydrophobicContact CG2-SD 3.83Å; V391-L423 HydrophobicContact CG1-CD2 3.77Å; V391-L423 HydrophobicContact CG1-CG 4.09Å; V391-L423 HydrophobicContact CG2-CD1 4.13Å; V391-L423 HydrophobicContact CG2-CG 4Å
392	Y	98.6	Very high	98.5	Very high	118 Å²	118	42.8 Å²	42.8	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-37.8	175.4	173.9	-104	0	0	0	112.6	A388 E389 L390 S396 K397	A388-Y392 PolarHBondContact O-N 3.36Å; E389-Y392 WeakPolarHBondContact O-CB 3.32Å; E389-Y392 PolarHBondContact O-N 2.62Å; L390-Y392 VanDerWaalsContact C-N 3.3Å; L390-Y392 PolarHBondContact O-N 3.39Å; Y392-S396 VanDerWaalsContact CD2-CB 3.46Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.18Å; Y392-S396 VanDerWaalsContact CE2-CB 3.5Å; Y392-S396 WeakPolarHBondContact O-CA 3.31Å; Y392-S396 WeakPolarHBondContact O-CB 3.36Å; Y392-S396 PolarHBondContact O-N 3.23Å; Y392-K397 HydrophobicContact CD1-CG 4.39Å; Y392-K397 HydrophobicContact CE1-CD 4.42Å; Y392-K397 HydrophobicContact CE1-CG 3.99Å; Y392-K397 PolarHBondContact O-N 3.46Å; Y392-K397 VanDerWaalsContact O-N 3.12Å; Y392-K397 VanDerWaalsContact OH-CE 3.22Å; Y392-K397 WeakPolarHBondContact OH-CE 3.12Å
393	M	98.7	Very high	98.5	Very high	35 Å²	35	41.3 Å²	41.3	17%	0.172	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.8	-61.7	-56.4	-84.5	0	0	112.5	Y330 E389 L390 V391 K397 H398 L399 V401	Y330-M393 HydrophobicContact CD1-CE 4.21Å; Y330-M393 HydrophobicContact CD1-CG 4.27Å; Y330-M393 HydrophobicContact CD2-CE 3.38Å; Y330-M393 HydrophobicContact CE2-CE 3.86Å; Y330-M393 HydrophobicContact CG-CE 3.57Å; Y330-M393 HydrophobicContact CG-CG 4.48Å; E389-M393 WeakPolarHBondContact O-CG 3.44Å; E389-M393 PolarHBondContact O-N 3.29Å; E389-M393 VanDerWaalsContact O-N 3.14Å; L390-M393 WeakPolarHBondContact O-CB 3.32Å; L390-M393 PolarHBondContact O-N 3.43Å; V391-M393 VanDerWaalsContact C-N 3.31Å; V391-M393 PolarHBondContact O-N 3.33Å; M393-K397 CarbonylContact O-C 3.57Å; M393-K397 WeakPolarHBondContact O-CB 3.35Å; M393-K397 HydrophobicContact SD-CG 4.05Å; M393-H398 PolarHBondContact O-N 3.46Å; M393-L399 HydrophobicContact CE-CD1 3.47Å; M393-L399 VanDerWaalsContact CE-CD1 3.47Å; M393-L399 PolarHBondContact O-N 3.26Å; M393-V401 HydrophobicContact CB-CG2 3.93Å
394	L	98.3	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-48	179	-70.7	161.5	0	0	0	112.5	N292 L296 L390 V391 L399 V401 V419 L423	N292-L394 PolarHBondContact ND2-O 3.03Å; L296-L394 HydrophobicContact CD1-CD1 4.46Å; L390-L394 WeakPolarHBondContact O-CG 3.45Å; L390-L394 PolarHBondContact O-N 3.21Å; V391-L394 PolarHBondContact O-N 3.32Å; L394-L399 WeakPolarHBondContact CD2-O 3.28Å; L394-V401 HydrophobicContact CD1-CG2 4.45Å; L394-V401 HydrophobicContact CD2-CB 4.16Å; L394-V401 HydrophobicContact CD2-CG2 3.95Å; L394-V401 HydrophobicContact CG-CB 4.33Å; L394-V401 HydrophobicContact CG-CG2 3.78Å; L394-V419 HydrophobicContact CD1-CG1 3.46Å; L394-V419 VanDerWaalsContact CD1-CG1 3.46Å; L394-L423 HydrophobicContact CB-CD1 4.16Å; L394-L423 HydrophobicContact CD1-CD1 3.84Å
395	E	97.1	Very high	98.2	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-80.1	-54.1	-172.4	-178.2	60.7	-160.9	0	0	112.1	H290 V391 H398 L423	H290-E395 IonicContact CD2-OE2 2.66Å; H290-E395 PolarHBondContact CD2-OE2 3.15Å; H290-E395 IonicContact CE1-OE2 3.2Å; H290-E395 PolarHBondContact CE1-OE2 3.3Å; H290-E395 IonicContact CG-OE2 3.98Å; H290-E395 IonicContact ND1-OE2 3.5Å; H290-E395 IonicContact NE2-OE2 3.11Å; H290-E395 PolarHBondContact NE2-OE2 2.81Å; V391-E395 VanDerWaalsContact O-CB 3.27Å; V391-E395 WeakPolarHBondContact O-CB 3.44Å; V391-E395 PolarHBondContact O-N 3.24Å; E395-H398 PolarHBondContact O-CE1 2.87Å; E395-H398 PolarHBondContact O-ND1 3.17Å; E395-L423 HydrophobicContact CB-CD2 4.22Å
396	S	97.1	Very high	98	Very high	66 Å²	66	40.4 Å²	40.4	46%	0.462	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-30.7	-168	-54.2	0	0	0	0	113.5	Y392	Y392-S396 VanDerWaalsContact CD2-CB 3.46Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.18Å; Y392-S396 VanDerWaalsContact CE2-CB 3.5Å; Y392-S396 WeakPolarHBondContact O-CA 3.31Å; Y392-S396 WeakPolarHBondContact O-CB 3.36Å; Y392-S396 PolarHBondContact O-N 3.23Å
397	K	97.9	Very high	97.6	Very high	106 Å²	106	41.8 Å²	41.8	46%	0.461	21%	0.208	S	C	.	.	S	Bend	trans	-94.5	-10.3	175.8	-62	-63.5	-174.1	-174.1	0	113.4	Y392 M393 L399	Y392-K397 HydrophobicContact CD1-CG 4.39Å; Y392-K397 HydrophobicContact CE1-CD 4.42Å; Y392-K397 HydrophobicContact CE1-CG 3.99Å; Y392-K397 PolarHBondContact O-N 3.46Å; Y392-K397 VanDerWaalsContact O-N 3.12Å; Y392-K397 VanDerWaalsContact OH-CE 3.22Å; Y392-K397 WeakPolarHBondContact OH-CE 3.12Å; M393-K397 CarbonylContact O-C 3.57Å; M393-K397 WeakPolarHBondContact O-CB 3.35Å; M393-K397 HydrophobicContact SD-CG 4.05Å; K397-L399 HydrophobicContact CB-CD1 3.9Å; K397-L399 HydrophobicContact CB-CG 3.89Å; K397-L399 PolarHBondContact O-N 3.28Å
398	H	97.7	Very high	97.3	Very high	78 Å²	78	42 Å²	42	36%	0.361	21%	0.21	S	C	.	.			trans	53.7	36.1	-176.8	-53.4	-64	0	0	0	112.5	N292 S294 H323 S327 M393 E395	N292-H398 PolarHBondContact ND2-ND1 3Å; S294-H398 WeakPolarHBondContact OG-CA 3.49Å; S294-H398 PolarHBondContact OG-O 3.5Å; H323-H398 PolarHBondContact NE2-O 3.26Å; S327-H398 WeakPolarHBondContact CB-O 3.42Å; S327-H398 PolarHBondContact OG-O 3.44Å; M393-H398 PolarHBondContact O-N 3.46Å; E395-H398 PolarHBondContact O-CE1 2.87Å; E395-H398 PolarHBondContact O-ND1 3.17Å
399	L	98.3	Very high	97	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	20%	0.195	C	C	.	.			trans	-99.6	140.8	177.7	-63.5	173.9	0	0	0	109.6	S294 D328 M393 L394 K397	S294-L399 PolarHBondContact OG-N 2.9Å; S294-L399 PolarHBondContact OG-O 3.14Å; D328-L399 HydrophobicContact CB-CD2 3.77Å; D328-L399 WeakPolarHBondContact O-CD2 3.48Å; M393-L399 HydrophobicContact CE-CD1 3.47Å; M393-L399 VanDerWaalsContact CE-CD1 3.47Å; M393-L399 PolarHBondContact O-N 3.26Å; L394-L399 WeakPolarHBondContact CD2-O 3.28Å; K397-L399 HydrophobicContact CB-CD1 3.9Å; K397-L399 HydrophobicContact CB-CG 3.89Å; K397-L399 PolarHBondContact O-N 3.28Å
400	S	98.6	Very high	96.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	143.4	167.1	-62.5	0	0	0	0	110	A295 D328 V329 Y330	A295-S400 PolarHBondContact N-OG 2.99Å; A295-S400 CarbonylContact O-C 3.58Å; A295-S400 VanDerWaalsContact O-CA 3.29Å; A295-S400 WeakPolarHBondContact O-CA 3.39Å; A295-S400 WeakPolarHBondContact O-CB 3.19Å; D328-S400 PolarHBondContact O-N 3.16Å; V329-S400 CarbonylContact C-O 3.46Å; V329-S400 WeakPolarHBondContact CA-O 3.49Å; Y330-S400 PolarHBondContact N-O 2.99Å
401	V	98.8	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.5	-176.2	173	0	0	0	0	110.4	A295 L296 V297 Y330 L390 M393 L394 L403	A295-V401 PolarHBondContact O-N 3.42Å; L296-V401 WeakPolarHBondContact CA-O 3.49Å; L296-V401 HydrophobicContact CD1-CB 4.04Å; L296-V401 HydrophobicContact CD1-CG1 3.91Å; V297-V401 PolarHBondContact N-O 3.11Å; Y330-V401 HydrophobicContact CD1-CG2 4.4Å; Y330-V401 CarbonylContact O-C 3.57Å; Y330-V401 VanDerWaalsContact O-CA 3.32Å; Y330-V401 WeakPolarHBondContact O-CA 3.32Å; L390-V401 HydrophobicContact CD1-CG1 4.33Å; L390-V401 HydrophobicContact CD2-CG1 3.97Å; M393-V401 HydrophobicContact CB-CG2 3.93Å; L394-V401 HydrophobicContact CD1-CG2 4.45Å; L394-V401 HydrophobicContact CD2-CB 4.16Å; L394-V401 HydrophobicContact CD2-CG2 3.95Å; L394-V401 HydrophobicContact CG-CB 4.33Å; L394-V401 HydrophobicContact CG-CG2 3.78Å; V401-L403 HydrophobicContact CG1-CD2 3.9Å
402	V	98.6	Very high	96.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.8	169.6	177.3	0	0	0	0	109	V297 M299 I319 V329 Y330 K331 S332	V297-V402 HydrophobicContact CB-CG2 4.17Å; V297-V402 CarbonylContact O-C 3.55Å; V297-V402 WeakPolarHBondContact O-CA 3.47Å; M299-V402 HydrophobicContact CB-CG1 3.84Å; M299-V402 HydrophobicContact CE-CG1 4.1Å; M299-V402 HydrophobicContact SD-CG1 4.41Å; I319-V402 HydrophobicContact CD1-CG2 3.55Å; V329-V402 HydrophobicContact CG1-CB 4.43Å; V329-V402 HydrophobicContact CG1-CG2 3.56Å; Y330-V402 PolarHBondContact O-N 2.99Å; K331-V402 WeakPolarHBondContact CA-O 3.36Å; K331-V402 HydrophobicContact CG-CB 4.16Å; S332-V402 PolarHBondContact N-O 2.75Å
403	L	98.6	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118	169.5	-53.5	-176.2	0	0	0	108.8	L296 V297 R298 M299 L334 L390 V401 V415 A416	L296-L403 HydrophobicContact CD1-CD1 4.09Å; L296-L403 HydrophobicContact CD1-CD2 4.18Å; L296-L403 HydrophobicContact CD1-CG 3.92Å; V297-L403 PolarHBondContact O-N 2.93Å; R298-L403 HydrophobicContact CG-CB 4.25Å; R298-L403 HydrophobicContact CG-CD1 4.11Å; M299-L403 PolarHBondContact N-O 3.11Å; L334-L403 HydrophobicContact CD1-CB 4.17Å; L334-L403 HydrophobicContact CD2-CD2 4.43Å; L390-L403 HydrophobicContact CD1-CD2 3.43Å; L390-L403 VanDerWaalsContact CD1-CD2 3.43Å; V401-L403 HydrophobicContact CG1-CD2 3.9Å; L403-V415 HydrophobicContact CD1-CB 4.12Å; L403-V415 HydrophobicContact CD1-CG1 3.93Å; L403-V415 HydrophobicContact CD2-CG1 3.89Å; L403-A416 HydrophobicContact CD1-CB 3.78Å
404	Q	96.9	Very high	96.8	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.089	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	-179.6	-166.4	172.6	-50.2	0	0	109.7	M299 L301 S332 L334	M299-Q404 HydrophobicContact CE-CG 4.36Å; M299-Q404 WeakPolarHBondContact O-CA 3.43Å; L301-Q404 HydrophobicContact CD2-CG 3.65Å; S332-Q404 PolarHBondContact O-N 3.06Å; L334-Q404 PolarHBondContact N-O 2.68Å
405	E	96	Very high	96.8	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.033	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.7	-178.6	173.4	-171.4	-172.4	0	0	107.5	M299 A300 L301 L334 D335 E407 G408 R409 D410 L411 S412	M299-E405 PolarHBondContact O-N 3.1Å; A300-E405 CarbonylContact C-O 3.53Å; A300-E405 VanDerWaalsContact CA-O 3.27Å; A300-E405 WeakPolarHBondContact CA-O 3.28Å; L301-E405 PolarHBondContact N-O 2.82Å; L334-E405 HydrophobicContact CB-CB 4.49Å; D335-E405 WeakPolarHBondContact OD2-CA 3.45Å; E405-E407 PolarHBondContact O-N 3.3Å; E405-G408 PolarHBondContact O-N 2.89Å; E405-G408 WeakPolarHBondContact OE2-CA 3.45Å; E405-R409 PolarHBondContact OE2-N 3.45Å; E405-D410 WeakPolarHBondContact OE1-CA 3.44Å; E405-D410 VanDerWaalsContact OE1-CB 3.23Å; E405-D410 WeakPolarHBondContact OE1-CB 2.92Å; E405-D410 PolarHBondContact OE1-N 2.75Å; E405-D410 PolarHBondContact OE2-N 2.7Å; E405-L411 VanDerWaalsContact CD-N 3.33Å; E405-L411 PolarHBondContact OE1-N 3.15Å; E405-L411 PolarHBondContact OE2-N 2.61Å; E405-S412 WeakPolarHBondContact OE2-CB 3.29Å; E405-S412 PolarHBondContact OE2-N 2.79Å; E405-S412 PolarHBondContact OE2-OG 3.07Å
406	E	93.9	Very high	96.9	Very high	113 Å²	113	24.5 Å²	24.5	53%	0.528	12%	0.121	S	C	.	.	S	Bend	trans	-44.9	-63.7	-177.1	-174	174.9	-170.6	0	0	113	V279 L301 D335	V279-E406 VanDerWaalsContact CB-O 3.28Å; V279-E406 WeakPolarHBondContact CB-O 3.33Å; V279-E406 WeakPolarHBondContact CG1-O 3.37Å; L301-E406 HydrophobicContact CD1-CB 4.11Å; L301-E406 HydrophobicContact CD1-CG 4.27Å; L301-E406 PolarHBondContact N-O 3.25Å; L301-E406 VanDerWaalsContact N-O 3.17Å; D335-E406 PolarHBondContact OD2-N 2.82Å
407	E	90.4	Very high	96.9	Very high	47 Å²	47	21.4 Å²	21.4	22%	0.22	10%	0.099	C	C	.	.	S	Bend	trans	-96.3	-16.6	176.8	-61.9	-169.6	-162	0	0	112.7	V279 R282 E405 R409 K460	V279-E407 HydrophobicContact CG1-CG 4.01Å; R282-E407 WeakPolarHBondContact CD-O 3.37Å; R282-E407 PolarHBondContact NE-O 2.93Å; R282-E407 VanDerWaalsContact NE-O 3.15Å; E405-E407 PolarHBondContact O-N 3.3Å; E407-R409 VanDerWaalsContact C-N 3.32Å; E407-R409 HydrophobicContact CB-CB 4.44Å; E407-R409 HydrophobicContact CB-CG 4.33Å; E407-R409 PolarHBondContact O-N 3.19Å; E407-R409 IonicContact OE2-CZ 3.89Å; E407-R409 IonicContact OE2-NE 3.87Å; E407-R409 PolarHBondContact OE2-NE 2.64Å; E407-R409 IonicContact OE2-NH2 2.96Å; E407-R409 PolarHBondContact OE2-NH2 3.29Å; E407-K460 IonicContact OE1-NZ 3.6Å
408	G	91.7	Very high	97	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	8%	0.077	C	C	.	.	S	Bend	trans	63.6	36.1	-176.4	0	0	0	0	0	113.3	R282 R298 E405 S412	R282-G408 PolarHBondContact NE-O 3.47Å; R282-G408 PolarHBondContact NH2-O 2.88Å; R298-G408 PolarHBondContact NH2-O 3.25Å; E405-G408 PolarHBondContact O-N 2.89Å; E405-G408 WeakPolarHBondContact OE2-CA 3.45Å; G408-S412 VanDerWaalsContact C-OG 3.25Å; G408-S412 PolarHBondContact O-OG 3.06Å
409	R	93.3	Very high	97.1	Very high	26 Å²	26	12.6 Å²	12.6	10%	0.098	6%	0.06	C	C	.	.	S	Bend	trans	-128.4	-10	-173.5	-67.2	-160	-67.9	166.2	-0.1	114.8	E405 E407 C413 G445 Y446	E405-R409 PolarHBondContact OE2-N 3.45Å; E407-R409 VanDerWaalsContact C-N 3.32Å; E407-R409 HydrophobicContact CB-CB 4.44Å; E407-R409 HydrophobicContact CB-CG 4.33Å; E407-R409 PolarHBondContact O-N 3.19Å; E407-R409 IonicContact OE2-CZ 3.89Å; E407-R409 IonicContact OE2-NE 3.87Å; E407-R409 PolarHBondContact OE2-NE 2.64Å; E407-R409 IonicContact OE2-NH2 2.96Å; E407-R409 PolarHBondContact OE2-NH2 3.29Å; R409-C413 PolarHBondContact O-SG 2.87Å; R409-G445 WeakPolarHBondContact CD-O 3.21Å; R409-Y446 VanDerWaalsContact O-CD2 3.23Å; R409-Y446 WeakPolarHBondContact O-CD2 3.49Å
410	D	96.2	Very high	97.1	Very high	10 Å²	10	11 Å²	11	5%	0.053	5%	0.051	C	C	.	.	S	Bend	trans	-120.9	-84.2	-177.5	-64.3	-67.9	0	0	0	111.1	I341 E405 S412 C413 Y446 R451 L464	I341-D410 HydrophobicContact CG2-CB 3.7Å; E405-D410 WeakPolarHBondContact OE1-CA 3.44Å; E405-D410 VanDerWaalsContact OE1-CB 3.23Å; E405-D410 WeakPolarHBondContact OE1-CB 2.92Å; E405-D410 PolarHBondContact OE1-N 2.75Å; E405-D410 PolarHBondContact OE2-N 2.7Å; D410-S412 PolarHBondContact O-N 3.41Å; D410-C413 VanDerWaalsContact O-CB 3.25Å; D410-C413 WeakPolarHBondContact O-CB 3.31Å; D410-C413 PolarHBondContact O-N 3.3Å; D410-Y446 WeakPolarHBondContact OD1-CE2 3.42Å; D410-R451 IonicContact OD1-CZ 3.98Å; D410-R451 IonicContact OD1-NE 3.89Å; D410-R451 PolarHBondContact OD1-NE 3.44Å; D410-R451 IonicContact OD1-NH2 2.67Å; D410-R451 PolarHBondContact OD1-NH2 2.91Å; D410-R451 IonicContact OD2-CZ 3.21Å; D410-R451 IonicContact OD2-NE 3.94Å; D410-R451 IonicContact OD2-NH2 3.06Å; D410-R451 PolarHBondContact OD2-NH2 2.82Å; D410-L464 HydrophobicContact CB-CD2 3.76Å; D410-L464 WeakPolarHBondContact O-CD2 3.14Å
411	L	98.3	Very high	97.1	Very high	3 Å²	3	11 Å²	11	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-59.9	-38.8	-171.7	-51.8	-166.9	0	0	0	111.2	L334 L338 I341 F383 E405 C413 C414 V415 L464	L334-L411 HydrophobicContact CB-CB 4.18Å; L334-L411 HydrophobicContact CB-CD1 4.38Å; L334-L411 HydrophobicContact CD1-CB 4.1Å; L338-L411 HydrophobicContact CB-CD1 4.15Å; I341-L411 HydrophobicContact CG2-CD2 4.18Å; F383-L411 HydrophobicContact CE1-CD2 4.36Å; F383-L411 HydrophobicContact CZ-CD2 3.96Å; E405-L411 VanDerWaalsContact CD-N 3.33Å; E405-L411 PolarHBondContact OE1-N 3.15Å; E405-L411 PolarHBondContact OE2-N 2.61Å; L411-C413 VanDerWaalsContact C-N 3.28Å; L411-C413 PolarHBondContact O-N 3.05Å; L411-C414 PolarHBondContact O-N 3.34Å; L411-V415 WeakPolarHBondContact O-CG2 3.42Å; L411-V415 PolarHBondContact O-N 3.32Å; L411-L464 HydrophobicContact CD2-CD1 4.25Å; L411-L464 HydrophobicContact CD2-CD2 3.94Å
412	S	97.8	Very high	97.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-29.4	177.8	61.5	0	0	0	0	113.4	R298 L334 E405 G408 D410 A416	R298-S412 PolarHBondContact NE-OG 3.38Å; R298-S412 VanDerWaalsContact NE-OG 3.11Å; R298-S412 PolarHBondContact NH2-OG 2.86Å; R298-S412 VanDerWaalsContact NH2-OG 3.14Å; L334-S412 VanDerWaalsContact CD1-CA 3.44Å; E405-S412 WeakPolarHBondContact OE2-CB 3.29Å; E405-S412 PolarHBondContact OE2-N 2.79Å; E405-S412 PolarHBondContact OE2-OG 3.07Å; G408-S412 VanDerWaalsContact C-OG 3.25Å; G408-S412 PolarHBondContact O-OG 3.06Å; D410-S412 PolarHBondContact O-N 3.41Å; S412-A416 WeakPolarHBondContact O-CB 3.34Å; S412-A416 PolarHBondContact O-N 2.99Å
413	C	97.8	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-48.6	172.5	-60.7	0	0	0	0	110.7	R298 R409 D410 L411 S417 E440 W441	R298-C413 PolarHBondContact NH2-SG 2.97Å; R409-C413 PolarHBondContact O-SG 2.87Å; D410-C413 VanDerWaalsContact O-CB 3.25Å; D410-C413 WeakPolarHBondContact O-CB 3.31Å; D410-C413 PolarHBondContact O-N 3.3Å; L411-C413 VanDerWaalsContact C-N 3.28Å; L411-C413 PolarHBondContact O-N 3.05Å; C413-S417 VanDerWaalsContact O-CB 3.27Å; C413-S417 WeakPolarHBondContact O-CB 3.44Å; C413-S417 PolarHBondContact O-N 3.47Å; C413-S417 PolarHBondContact O-OG 3.48Å; C413-E440 PolarHBondContact SG-O 2.81Å; C413-E440 VanDerWaalsContact SG-O 3.33Å; C413-W441 HydrophobicContact CB-CD2 3.88Å; C413-W441 HydrophobicContact CB-CE3 3.93Å; C413-W441 HydrophobicContact CB-CG 4.48Å; C413-W441 HydrophobicContact CB-CH2 4.12Å; C413-W441 HydrophobicContact CB-CZ2 4.06Å; C413-W441 HydrophobicContact CB-CZ3 4.05Å
414	C	98.6	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-53.9	-178	-175	0	0	0	0	110.9	F383 L411 A416 S417 L418 W441 L464	F383-C414 HydrophobicContact CD1-CB 4.02Å; F383-C414 WeakPolarHBondContact CD1-SG 3.12Å; F383-C414 HydrophobicContact CE1-CB 3.95Å; L411-C414 PolarHBondContact O-N 3.34Å; C414-A416 PolarHBondContact O-N 3.09Å; C414-S417 PolarHBondContact O-N 3.04Å; C414-L418 WeakPolarHBondContact O-CG 3.32Å; C414-L418 PolarHBondContact O-N 2.62Å; C414-W441 HydrophobicContact CB-CH2 4.09Å; C414-W441 HydrophobicContact CB-CZ2 4.23Å; C414-L464 HydrophobicContact CB-CD1 4.43Å; C414-L464 HydrophobicContact CB-CG 4.43Å
415	V	98.9	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-44.4	-178.8	177.1	0	0	0	0	111.3	L334 L338 F383 L390 L403 L411 S417 L418 V419	L334-V415 HydrophobicContact CD1-CB 4.32Å; L334-V415 HydrophobicContact CD1-CG2 4.16Å; L334-V415 HydrophobicContact CD2-CG2 4.25Å; L338-V415 HydrophobicContact CD1-CG2 3.46Å; L338-V415 VanDerWaalsContact CD1-CG2 3.46Å; F383-V415 HydrophobicContact CD1-CG2 4.04Å; F383-V415 HydrophobicContact CE1-CG2 4.37Å; L390-V415 HydrophobicContact CD1-CG1 3.54Å; L403-V415 HydrophobicContact CD1-CB 4.12Å; L403-V415 HydrophobicContact CD1-CG1 3.93Å; L403-V415 HydrophobicContact CD2-CG1 3.89Å; L411-V415 WeakPolarHBondContact O-CG2 3.42Å; L411-V415 PolarHBondContact O-N 3.32Å; V415-S417 VanDerWaalsContact C-N 3.25Å; V415-S417 PolarHBondContact O-N 2.98Å; V415-L418 PolarHBondContact O-N 3.16Å; V415-V419 HydrophobicContact CG1-CG2 4.34Å; V415-V419 VanDerWaalsContact O-CG2 3.3Å; V415-V419 WeakPolarHBondContact O-CG2 3.4Å; V415-V419 PolarHBondContact O-N 3.08Å
416	A	98.8	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-36.1	178.7	0	0	0	0	0	112.5	L296 R298 L403 S412 C414 Q420	L296-A416 HydrophobicContact CD2-CB 4.16Å; R298-A416 HydrophobicContact CG-CB 4.27Å; L403-A416 HydrophobicContact CD1-CB 3.78Å; S412-A416 WeakPolarHBondContact O-CB 3.34Å; S412-A416 PolarHBondContact O-N 2.99Å; C414-A416 PolarHBondContact O-N 3.09Å; A416-Q420 WeakPolarHBondContact O-CB 3.27Å; A416-Q420 VanDerWaalsContact O-CG 3.29Å; A416-Q420 WeakPolarHBondContact O-CG 3.45Å; A416-Q420 PolarHBondContact O-N 3.01Å; A416-Q420 PolarHBondContact O-NE2 3.41Å
417	S	98.9	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.7	-44.6	178.1	-58.3	0	0	0	0	111.8	C413 C414 V415 Q420 V421 E440 W441	C413-S417 VanDerWaalsContact O-CB 3.27Å; C413-S417 WeakPolarHBondContact O-CB 3.44Å; C413-S417 PolarHBondContact O-N 3.47Å; C413-S417 PolarHBondContact O-OG 3.48Å; C414-S417 PolarHBondContact O-N 3.04Å; V415-S417 VanDerWaalsContact C-N 3.25Å; V415-S417 PolarHBondContact O-N 2.98Å; S417-Q420 PolarHBondContact O-N 2.92Å; S417-V421 WeakPolarHBondContact O-CG2 3.23Å; S417-V421 PolarHBondContact O-N 3.47Å; S417-E440 WeakPolarHBondContact OG-CB 3.24Å; S417-W441 PolarHBondContact OG-NE1 2.85Å
418	L	98.9	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63	-45.2	178.5	-71.9	174.6	0	0	0	112.1	F383 L384 S387 C414 V415 Q420 V421 M422 F468 A471 L475	F383-L418 HydrophobicContact CB-CD1 4.07Å; L384-L418 HydrophobicContact CD2-CD2 4.31Å; S387-L418 WeakPolarHBondContact OG-CB 3.45Å; C414-L418 WeakPolarHBondContact O-CG 3.32Å; C414-L418 PolarHBondContact O-N 2.62Å; V415-L418 PolarHBondContact O-N 3.16Å; L418-Q420 VanDerWaalsContact C-N 3.28Å; L418-Q420 PolarHBondContact O-N 2.94Å; L418-V421 PolarHBondContact O-N 2.6Å; L418-M422 WeakPolarHBondContact O-CB 3.37Å; L418-M422 VanDerWaalsContact O-CG 3.24Å; L418-M422 WeakPolarHBondContact O-CG 3.12Å; L418-M422 PolarHBondContact O-N 3.48Å; L418-F468 HydrophobicContact CD2-CD2 3.95Å; L418-F468 HydrophobicContact CD2-CE2 4.09Å; L418-F468 HydrophobicContact CG-CD2 4.05Å; L418-F468 HydrophobicContact CG-CE2 4.35Å; L418-A471 HydrophobicContact CD1-CB 4.07Å; L418-A471 HydrophobicContact CD2-CB 3.77Å; L418-L475 HydrophobicContact CD2-CD1 4.48Å
419	V	98.9	Very high	97.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57	-44.7	174.8	170.7	0	0	0	0	110.8	L296 L390 V391 L394 V415 M422 L423	L296-V419 HydrophobicContact CD2-CB 4.05Å; L296-V419 HydrophobicContact CD2-CG1 3.83Å; L390-V419 HydrophobicContact CB-CG2 4.05Å; V391-V419 HydrophobicContact CG2-CB 4.39Å; V391-V419 HydrophobicContact CG2-CG1 4.09Å; V391-V419 HydrophobicContact CG2-CG2 4.36Å; L394-V419 HydrophobicContact CD1-CG1 3.46Å; L394-V419 VanDerWaalsContact CD1-CG1 3.46Å; V415-V419 HydrophobicContact CG1-CG2 4.34Å; V415-V419 VanDerWaalsContact O-CG2 3.3Å; V415-V419 WeakPolarHBondContact O-CG2 3.4Å; V415-V419 PolarHBondContact O-N 3.08Å; V419-M422 PolarHBondContact O-N 3.18Å; V419-L423 HydrophobicContact CG1-CD1 3.84Å; V419-L423 WeakPolarHBondContact O-CB 3.38Å; V419-L423 PolarHBondContact O-N 2.94Å
420	Q	98.8	Very high	98.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.6	-41.7	177.9	-83.1	178.8	87.7	0	0	112.8	W288 L296 A416 S417 L418 M422 L423 D424 F427 L436 E440	W288-Q420 HydrophobicContact CB-CG 3.71Å; W288-Q420 HydrophobicContact CD2-CG 4.42Å; W288-Q420 HydrophobicContact CG-CG 3.85Å; L296-Q420 HydrophobicContact CD2-CG 4.35Å; A416-Q420 WeakPolarHBondContact O-CB 3.27Å; A416-Q420 VanDerWaalsContact O-CG 3.29Å; A416-Q420 WeakPolarHBondContact O-CG 3.45Å; A416-Q420 PolarHBondContact O-N 3.01Å; A416-Q420 PolarHBondContact O-NE2 3.41Å; S417-Q420 PolarHBondContact O-N 2.92Å; L418-Q420 VanDerWaalsContact C-N 3.28Å; L418-Q420 PolarHBondContact O-N 2.94Å; Q420-M422 VanDerWaalsContact C-N 3.32Å; Q420-M422 PolarHBondContact O-N 3.04Å; Q420-L423 PolarHBondContact O-N 3.26Å; Q420-D424 WeakPolarHBondContact O-CB 3.24Å; Q420-D424 PolarHBondContact O-N 3.19Å; Q420-F427 HydrophobicContact CB-CD2 3.59Å; Q420-F427 HydrophobicContact CB-CE2 3.71Å; Q420-F427 HydrophobicContact CG-CD2 4.25Å; Q420-F427 HydrophobicContact CG-CE2 3.85Å; Q420-L436 HydrophobicContact CB-CD1 3.83Å; Q420-L436 HydrophobicContact CG-CD1 4.33Å; Q420-E440 PolarHBondContact NE2-OE1 2.85Å
421	V	98.8	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-40.1	174.8	167.8	0	0	0	0	111.5	S417 L418 R428 F433 L436 L475 F483	S417-V421 WeakPolarHBondContact O-CG2 3.23Å; S417-V421 PolarHBondContact O-N 3.47Å; L418-V421 PolarHBondContact O-N 2.6Å; V421-R428 HydrophobicContact CG1-CG 4.19Å; V421-R428 WeakPolarHBondContact O-CD 3.42Å; V421-R428 PolarHBondContact O-NE 3.2Å; V421-F433 HydrophobicContact CG2-CD2 4.24Å; V421-F433 HydrophobicContact CG2-CE2 4.03Å; V421-L436 HydrophobicContact CG2-CD2 3.56Å; V421-L475 HydrophobicContact CG1-CD1 4.09Å; V421-F483 HydrophobicContact CG1-CE1 3.64Å; V421-F483 HydrophobicContact CG1-CZ 3.81Å
422	M	98.7	Very high	98.1	Very high	50 Å²	50	15 Å²	15	25%	0.246	8%	0.077	C	C	.	.	H	α-helix	trans	-69.1	-39.3	179.4	-69.8	172.9	-177.1	0	0	112.4	L384 V391 L418 V419 Q420 L475	L384-M422 HydrophobicContact CD2-CE 3.79Å; V391-M422 HydrophobicContact CG2-CB 3.87Å; V391-M422 HydrophobicContact CG2-SD 3.83Å; L418-M422 WeakPolarHBondContact O-CB 3.37Å; L418-M422 VanDerWaalsContact O-CG 3.24Å; L418-M422 WeakPolarHBondContact O-CG 3.12Å; L418-M422 PolarHBondContact O-N 3.48Å; V419-M422 PolarHBondContact O-N 3.18Å; Q420-M422 VanDerWaalsContact C-N 3.32Å; Q420-M422 PolarHBondContact O-N 3.04Å; M422-L475 HydrophobicContact CE-CD1 3.97Å; M422-L475 HydrophobicContact CE-CD2 4.12Å; M422-L475 HydrophobicContact CG-CD1 4.07Å
423	L	98.3	Very high	98.1	Very high	29 Å²	29	14.9 Å²	14.9	15%	0.152	8%	0.077	C	C	.	.	H	α-helix	trans	-92.8	-34	-172.8	-75.2	171.9	0	0	0	114.8	W288 V391 L394 E395 V419 Q420 P425	W288-L423 HydrophobicContact CH2-CB 3.7Å; W288-L423 HydrophobicContact CH2-CD1 4.04Å; W288-L423 HydrophobicContact CH2-CG 4.43Å; W288-L423 HydrophobicContact CZ2-CB 4.27Å; W288-L423 HydrophobicContact CZ3-CB 4.17Å; W288-L423 HydrophobicContact CZ3-CD1 3.69Å; V391-L423 HydrophobicContact CG1-CD2 3.77Å; V391-L423 HydrophobicContact CG1-CG 4.09Å; V391-L423 HydrophobicContact CG2-CD1 4.13Å; V391-L423 HydrophobicContact CG2-CG 4Å; L394-L423 HydrophobicContact CB-CD1 4.16Å; L394-L423 HydrophobicContact CD1-CD1 3.84Å; E395-L423 HydrophobicContact CB-CD2 4.22Å; V419-L423 HydrophobicContact CG1-CD1 3.84Å; V419-L423 WeakPolarHBondContact O-CB 3.38Å; V419-L423 PolarHBondContact O-N 2.94Å; Q420-L423 PolarHBondContact O-N 3.26Å; L423-P425 WeakPolarHBondContact O-CD 3.19Å
424	D	97.8	Very high	98.2	Very high	14 Å²	14	15.3 Å²	15.3	8%	0.075	8%	0.078	C	C	.	.			trans	-113	108.3	-170.4	-167.7	-19.5	0	0	0	111.3	R235 W288 Q420 Y426 F427	R235-D424 IonicContact CZ-OD2 3.66Å; R235-D424 VanDerWaalsContact CZ-OD2 3.31Å; R235-D424 IonicContact NH1-OD1 2.73Å; R235-D424 IonicContact NH1-OD2 3.31Å; R235-D424 PolarHBondContact NH1-OD2 2.82Å; R235-D424 IonicContact NH2-OD2 2.81Å; R235-D424 PolarHBondContact NH2-OD2 3.16Å; W288-D424 HydrophobicContact CZ2-CB 3.97Å; W288-D424 PolarHBondContact NE1-OD2 3.38Å; Q420-D424 WeakPolarHBondContact O-CB 3.24Å; Q420-D424 PolarHBondContact O-N 3.19Å; D424-Y426 PolarHBondContact O-N 3.25Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.43Å; D424-Y426 PolarHBondContact OD1-N 3.27Å; D424-F427 HydrophobicContact CB-CD2 3.63Å; D424-F427 HydrophobicContact CB-CE2 4.01Å; D424-F427 HydrophobicContact CB-CG 4.5Å; D424-F427 PolarHBondContact O-N 3.21Å
425	P	96.6	Very high	98.2	Very high	48 Å²	48	15.3 Å²	15.3	31%	0.312	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-56.4	-23.9	176.9	-22	30.3	0	0	0	114.3	L423 F427 R428	L423-P425 WeakPolarHBondContact O-CD 3.19Å; P425-F427 VanDerWaalsContact C-N 3.28Å; P425-F427 PolarHBondContact O-N 2.82Å; P425-R428 PolarHBondContact O-N 3.18Å
426	Y	97.1	Very high	98.2	Very high	43 Å²	43	15.3 Å²	15.3	17%	0.169	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-57.8	-44	174.7	170.9	-114.5	0	0	0	110.7	D424 R428 T429 G432 S435	D424-Y426 PolarHBondContact O-N 3.25Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.43Å; D424-Y426 PolarHBondContact OD1-N 3.27Å; Y426-R428 PolarHBondContact O-N 2.65Å; Y426-R428 VanDerWaalsContact O-N 3.11Å; Y426-T429 WeakPolarHBondContact O-CB 3.49Å; Y426-T429 PolarHBondContact O-N 3.45Å; Y426-T429 PolarHBondContact O-OG1 2.83Å; Y426-G432 VanDerWaalsContact CZ-CA 3.48Å; Y426-G432 WeakPolarHBondContact O-CA 3.16Å; Y426-S435 WeakPolarHBondContact OH-CB 3.33Å
427	F	98.1	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-72.9	-2.9	-178.5	-60.6	-46.2	0	0	0	114.5	E232 W288 Q420 D424 P425 G432 F433 L436	E232-F427 WeakPolarHBondContact OE1-CZ 3.47Å; W288-F427 AromaticContact CD1-CE2 3.74Å; W288-F427 AromaticContact NE1-CE2 3.99Å; Q420-F427 HydrophobicContact CB-CD2 3.59Å; Q420-F427 HydrophobicContact CB-CE2 3.71Å; Q420-F427 HydrophobicContact CG-CD2 4.25Å; Q420-F427 HydrophobicContact CG-CE2 3.85Å; D424-F427 HydrophobicContact CB-CD2 3.63Å; D424-F427 HydrophobicContact CB-CE2 4.01Å; D424-F427 HydrophobicContact CB-CG 4.5Å; D424-F427 PolarHBondContact O-N 3.21Å; P425-F427 VanDerWaalsContact C-N 3.28Å; P425-F427 PolarHBondContact O-N 2.82Å; F427-G432 VanDerWaalsContact CD1-O 3.32Å; F427-G432 WeakPolarHBondContact CD1-O 3.44Å; F427-F433 WeakPolarHBondContact O-CB 3.43Å; F427-F433 WeakPolarHBondContact O-CD2 3.43Å; F427-L436 HydrophobicContact CB-CD2 4.14Å; F427-L436 HydrophobicContact CD1-CB 3.7Å; F427-L436 HydrophobicContact CD1-CD1 4.29Å; F427-L436 HydrophobicContact CD1-CG 4.43Å; F427-L436 HydrophobicContact CD2-CD1 4.24Å; F427-L436 HydrophobicContact CE1-CB 4.06Å; F427-L436 HydrophobicContact CE1-CD1 4.24Å; F427-L436 HydrophobicContact CE2-CD1 4.22Å; F427-L436 HydrophobicContact CG-CB 4.15Å; F427-L436 HydrophobicContact CG-CD1 4.27Å; F427-L436 HydrophobicContact CG-CD2 4.28Å; F427-L436 HydrophobicContact CG-CG 4.48Å; F427-L436 HydrophobicContact CZ-CD1 4.21Å
428	R	98.1	Very high	98.1	Very high	51 Å²	51	15.5 Å²	15.5	19%	0.192	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-95.9	-0.4	170.6	-63.9	-176.4	-84.2	163.8	-6.2	113.2	V421 P425 Y426 A482 F483 E484	V421-R428 HydrophobicContact CG1-CG 4.19Å; V421-R428 WeakPolarHBondContact O-CD 3.42Å; V421-R428 PolarHBondContact O-NE 3.2Å; P425-R428 PolarHBondContact O-N 3.18Å; Y426-R428 PolarHBondContact O-N 2.65Å; Y426-R428 VanDerWaalsContact O-N 3.11Å; R428-A482 WeakPolarHBondContact CB-O 3.28Å; R428-A482 WeakPolarHBondContact CD-O 3.33Å; R428-F483 HydrophobicContact CB-CD1 3.85Å; R428-F483 HydrophobicContact CB-CE1 4.23Å; R428-F483 HydrophobicContact CB-CG 4.29Å; R428-F483 HydrophobicContact CG-CD1 3.71Å; R428-F483 HydrophobicContact CG-CE1 3.56Å; R428-F483 HydrophobicContact CG-CG 4.34Å; R428-F483 HydrophobicContact CG-CZ 4.02Å; R428-E484 PolarHBondContact O-N 2.66Å
429	T	97.4	Very high	98.1	Very high	26 Å²	26	15.6 Å²	15.6	16%	0.16	8%	0.08	C	C	.	.	S	Bend	trans	-84.4	158.5	166.3	68.6	0	0	0	0	110.3	Y426 G432 F433 E484	Y426-T429 WeakPolarHBondContact O-CB 3.49Å; Y426-T429 PolarHBondContact O-N 3.45Å; Y426-T429 PolarHBondContact O-OG1 2.83Å; T429-G432 PolarHBondContact O-N 3.35Å; T429-G432 WeakPolarHBondContact OG1-CA 3.49Å; T429-G432 PolarHBondContact OG1-N 3.05Å; T429-F433 VanDerWaalsContact O-CB 3.29Å; T429-F433 WeakPolarHBondContact O-CB 3.5Å; T429-F433 PolarHBondContact O-N 2.78Å; T429-E484 WeakPolarHBondContact CA-OE2 3.32Å; T429-E484 WeakPolarHBondContact CB-OE2 3.45Å
430	I	97	Very high	98.1	Very high	17 Å²	17	15.7 Å²	15.7	9%	0.087	8%	0.08	C	C	.	.	H	α-helix	trans	-57.9	-55.5	175.7	-72	172.5	0	0	0	109.7	G432 F433 Q434 E484 F485 Y489 F554 H555	I430-G432 VanDerWaalsContact C-N 3.32Å; I430-G432 PolarHBondContact O-N 3.02Å; I430-F433 PolarHBondContact O-N 3.11Å; I430-Q434 VanDerWaalsContact O-CG 3.25Å; I430-Q434 WeakPolarHBondContact O-CG 3.23Å; I430-Q434 PolarHBondContact O-N 3.46Å; I430-E484 HydrophobicContact CG1-CG 4.34Å; I430-E484 PolarHBondContact N-OE2 3.43Å; I430-F485 HydrophobicContact CG1-CB 3.81Å; I430-Y489 HydrophobicContact CG2-CE2 4.24Å; I430-F554 HydrophobicContact CD1-CB 4.24Å; I430-H555 WeakPolarHBondContact CD1-CE1 3.48Å
431	T	96.9	Very high	98	Very high	35 Å²	35	15.7 Å²	15.7	22%	0.215	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-40.3	-179.1	-58	0	0	0	0	111.8	Q218 Q434 S435	Q218-T431 HydrophobicContact CB-CG2 4.3Å; Q218-T431 WeakPolarHBondContact O-CG2 3.38Å; T431-Q434 PolarHBondContact O-N 3Å; T431-S435 WeakPolarHBondContact O-CB 3.11Å; T431-S435 PolarHBondContact O-N 3.42Å
432	G	98	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-42	177.5	0	0	0	0	0	112.6	Y426 F427 T429 I430 Q434 S435 L436	Y426-G432 VanDerWaalsContact CZ-CA 3.48Å; Y426-G432 WeakPolarHBondContact O-CA 3.16Å; F427-G432 VanDerWaalsContact CD1-O 3.32Å; F427-G432 WeakPolarHBondContact CD1-O 3.44Å; T429-G432 PolarHBondContact O-N 3.35Å; T429-G432 WeakPolarHBondContact OG1-CA 3.49Å; T429-G432 PolarHBondContact OG1-N 3.05Å; I430-G432 VanDerWaalsContact C-N 3.32Å; I430-G432 PolarHBondContact O-N 3.02Å; G432-Q434 VanDerWaalsContact C-N 3.32Å; G432-Q434 PolarHBondContact O-N 3.19Å; G432-S435 CarbonylContact O-C 3.57Å; G432-S435 VanDerWaalsContact O-CB 3.31Å; G432-S435 WeakPolarHBondContact O-CB 3.3Å; G432-S435 PolarHBondContact O-N 2.69Å; G432-S435 VanDerWaalsContact O-N 3.16Å; G432-L436 PolarHBondContact O-N 3.37Å
433	F	98.7	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.1	-38.4	176.7	-164.4	-106.8	0	0	0	112	V421 F427 T429 I430 L436 I437 F468 L469 T472 F485 Y489 L490 L493	V421-F433 HydrophobicContact CG2-CD2 4.24Å; V421-F433 HydrophobicContact CG2-CE2 4.03Å; F427-F433 WeakPolarHBondContact O-CB 3.43Å; F427-F433 WeakPolarHBondContact O-CD2 3.43Å; T429-F433 VanDerWaalsContact O-CB 3.29Å; T429-F433 WeakPolarHBondContact O-CB 3.5Å; T429-F433 PolarHBondContact O-N 2.78Å; I430-F433 PolarHBondContact O-N 3.11Å; F433-L436 HydrophobicContact CD2-CD2 4.45Å; F433-L436 WeakPolarHBondContact O-CB 3.32Å; F433-L436 PolarHBondContact O-N 3.43Å; F433-I437 HydrophobicContact CD1-CD1 3.57Å; F433-I437 HydrophobicContact CD1-CG1 4.48Å; F433-I437 HydrophobicContact CE1-CD1 3.4Å; F433-I437 HydrophobicContact CE1-CG1 4.34Å; F433-I437 HydrophobicContact CG-CD1 4.44Å; F433-I437 HydrophobicContact CZ-CD1 4.12Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.01Å; F433-F468 HydrophobicContact CE1-CE1 4.45Å; F433-F468 HydrophobicContact CE2-CE1 4.07Å; F433-F468 AromaticContact CE2-CZ 3.6Å; F433-F468 HydrophobicContact CE2-CZ 3.6Å; F433-F468 AromaticContact CZ-CE1 3.61Å; F433-F468 HydrophobicContact CZ-CE1 3.61Å; F433-F468 AromaticContact CZ-CZ 3.64Å; F433-F468 HydrophobicContact CZ-CZ 3.64Å; F433-L469 HydrophobicContact CE1-CD2 3.96Å; F433-L469 HydrophobicContact CZ-CD2 3.95Å; F433-T472 HydrophobicContact CE2-CG2 3.76Å; F433-T472 HydrophobicContact CZ-CG2 3.92Å; F433-F485 HydrophobicContact CB-CD1 4.15Å; F433-F485 HydrophobicContact CB-CE1 3.69Å; F433-F485 HydrophobicContact CD1-CE1 4.26Å; F433-F485 HydrophobicContact CD1-CZ 4.39Å; F433-F485 AromaticContact CD2-CE1 3.78Å; F433-F485 HydrophobicContact CD2-CE1 3.78Å; F433-F485 AromaticContact CD2-CZ 3.82Å; F433-F485 HydrophobicContact CD2-CZ 3.82Å; F433-F485 HydrophobicContact CE2-CE1 4.45Å; F433-F485 HydrophobicContact CE2-CZ 4.03Å; F433-F485 HydrophobicContact CG-CD1 4.38Å; F433-F485 AromaticContact CG-CE1 3.66Å; F433-F485 HydrophobicContact CG-CE1 3.66Å; F433-F485 HydrophobicContact CG-CZ 4Å; F433-F485 HydrophobicContact CZ-CZ 4.38Å; F433-Y489 AromaticContact CD1-CE1 3.89Å; F433-Y489 HydrophobicContact CD1-CE1 3.89Å; F433-Y489 HydrophobicContact CE1-CE1 4.5Å; F433-L490 HydrophobicContact CE1-CD2 3.76Å; F433-L490 HydrophobicContact CZ-CD2 3.99Å; F433-L493 HydrophobicContact CD1-CD2 4.33Å; F433-L493 HydrophobicContact CE1-CD2 3.87Å
434	Q	98.5	Very high	97.8	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-45.8	171.5	-63.4	175.5	13.4	0	0	111.5	T220 I430 T431 G432 L436 I437 Q438 Y489 W540	T220-Q434 HydrophobicContact CG2-CB 3.51Å; T220-Q434 PolarHBondContact OG1-OE1 3.15Å; I430-Q434 VanDerWaalsContact O-CG 3.25Å; I430-Q434 WeakPolarHBondContact O-CG 3.23Å; I430-Q434 PolarHBondContact O-N 3.46Å; T431-Q434 PolarHBondContact O-N 3Å; G432-Q434 VanDerWaalsContact C-N 3.32Å; G432-Q434 PolarHBondContact O-N 3.19Å; Q434-L436 VanDerWaalsContact C-N 3.29Å; Q434-L436 PolarHBondContact O-N 2.72Å; Q434-I437 PolarHBondContact O-N 2.85Å; Q434-Q438 VanDerWaalsContact O-CB 3.22Å; Q434-Q438 WeakPolarHBondContact O-CB 3.15Å; Q434-Q438 PolarHBondContact O-N 2.84Å; Q434-Y489 WeakPolarHBondContact CG-OH 3.35Å; Q434-Y489 PolarHBondContact NE2-OH 3.1Å; Q434-W540 HydrophobicContact CB-CD2 3.88Å; Q434-W540 HydrophobicContact CB-CE3 3.74Å; Q434-W540 HydrophobicContact CB-CG 4.5Å; Q434-W540 HydrophobicContact CB-CH2 4.28Å; Q434-W540 HydrophobicContact CB-CZ2 4.41Å; Q434-W540 HydrophobicContact CB-CZ3 3.95Å; Q434-W540 HydrophobicContact CG-CD2 4Å; Q434-W540 HydrophobicContact CG-CE3 3.38Å; Q434-W540 HydrophobicContact CG-CH2 4.41Å; Q434-W540 HydrophobicContact CG-CZ3 3.63Å
435	S	98.3	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-40.8	175.1	-175.4	0	0	0	0	111.7	F223 Y426 T431 G432 K439	F223-S435 WeakPolarHBondContact CE2-O 3.34Å; F223-S435 WeakPolarHBondContact CE2-OG 3.26Å; Y426-S435 WeakPolarHBondContact OH-CB 3.33Å; T431-S435 WeakPolarHBondContact O-CB 3.11Å; T431-S435 PolarHBondContact O-N 3.42Å; G432-S435 CarbonylContact O-C 3.57Å; G432-S435 VanDerWaalsContact O-CB 3.31Å; G432-S435 WeakPolarHBondContact O-CB 3.3Å; G432-S435 PolarHBondContact O-N 2.69Å; G432-S435 VanDerWaalsContact O-N 3.16Å; S435-K439 VanDerWaalsContact O-CB 3.28Å; S435-K439 WeakPolarHBondContact O-CB 3.21Å; S435-K439 PolarHBondContact O-N 2.71Å
436	L	98.8	Very high	97.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.2	-50.5	177.3	-179.7	65.9	0	0	0	111.1	Q420 V421 F427 G432 F433 Q434 Q438 K439 E440 F468	Q420-L436 HydrophobicContact CB-CD1 3.83Å; Q420-L436 HydrophobicContact CG-CD1 4.33Å; V421-L436 HydrophobicContact CG2-CD2 3.56Å; F427-L436 HydrophobicContact CB-CD2 4.14Å; F427-L436 HydrophobicContact CD1-CB 3.7Å; F427-L436 HydrophobicContact CD1-CD1 4.29Å; F427-L436 HydrophobicContact CD1-CG 4.43Å; F427-L436 HydrophobicContact CD2-CD1 4.24Å; F427-L436 HydrophobicContact CE1-CB 4.06Å; F427-L436 HydrophobicContact CE1-CD1 4.24Å; F427-L436 HydrophobicContact CE2-CD1 4.22Å; F427-L436 HydrophobicContact CG-CB 4.15Å; F427-L436 HydrophobicContact CG-CD1 4.27Å; F427-L436 HydrophobicContact CG-CD2 4.28Å; F427-L436 HydrophobicContact CG-CG 4.48Å; F427-L436 HydrophobicContact CZ-CD1 4.21Å; G432-L436 PolarHBondContact O-N 3.37Å; F433-L436 HydrophobicContact CD2-CD2 4.45Å; F433-L436 WeakPolarHBondContact O-CB 3.32Å; F433-L436 PolarHBondContact O-N 3.43Å; Q434-L436 VanDerWaalsContact C-N 3.29Å; Q434-L436 PolarHBondContact O-N 2.72Å; L436-Q438 VanDerWaalsContact C-N 3.34Å; L436-Q438 PolarHBondContact O-N 2.82Å; L436-K439 PolarHBondContact O-N 3.09Å; L436-E440 HydrophobicContact CD1-CG 3.71Å; L436-E440 HydrophobicContact CG-CG 4.5Å; L436-E440 WeakPolarHBondContact O-CB 3.35Å; L436-E440 PolarHBondContact O-N 2.92Å; L436-F468 HydrophobicContact CD2-CZ 4.4Å
437	I	98.8	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.6	-44.8	179.8	-68.1	162.9	0	0	0	110.7	F433 Q434 K439 W441 V442 F465 F468 L493 F505 W540	F433-I437 HydrophobicContact CD1-CD1 3.57Å; F433-I437 HydrophobicContact CD1-CG1 4.48Å; F433-I437 HydrophobicContact CE1-CD1 3.4Å; F433-I437 HydrophobicContact CE1-CG1 4.34Å; F433-I437 HydrophobicContact CG-CD1 4.44Å; F433-I437 HydrophobicContact CZ-CD1 4.12Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.01Å; Q434-I437 PolarHBondContact O-N 2.85Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 2.95Å; I437-W441 HydrophobicContact CG2-CB 4.29Å; I437-W441 HydrophobicContact CG2-CG 4.44Å; I437-W441 WeakPolarHBondContact O-CA 3.5Å; I437-W441 VanDerWaalsContact O-CB 3.28Å; I437-W441 WeakPolarHBondContact O-CB 2.84Å; I437-W441 PolarHBondContact O-N 3.34Å; I437-V442 PolarHBondContact O-N 2.99Å; I437-V442 VanDerWaalsContact O-N 3.14Å; I437-F465 HydrophobicContact CD1-CE2 4.38Å; I437-F465 HydrophobicContact CD1-CZ 4.17Å; I437-F465 HydrophobicContact CG1-CE2 4.25Å; I437-F465 HydrophobicContact CG1-CZ 4.49Å; I437-F465 HydrophobicContact CG2-CE2 3.98Å; I437-F465 HydrophobicContact CG2-CZ 4.08Å; I437-F468 HydrophobicContact CG1-CE1 4.18Å; I437-L493 HydrophobicContact CD1-CD2 3.48Å; I437-L493 VanDerWaalsContact CD1-CD2 3.48Å; I437-F505 HydrophobicContact CG2-CE1 3.91Å; I437-F505 HydrophobicContact CG2-CZ 4.21Å; I437-W540 HydrophobicContact CB-CH2 3.9Å; I437-W540 HydrophobicContact CB-CZ2 4.2Å; I437-W540 HydrophobicContact CD1-CH2 4.23Å; I437-W540 HydrophobicContact CG2-CH2 3.78Å; I437-W540 HydrophobicContact CG2-CZ2 4.04Å
438	Q	98.6	Very high	97.7	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.019	4%	0.043	C	C	.	.	I	π-helix	trans	-59.4	-41.9	177.9	-173.5	61.8	44.5	0	0	111.6	P221 L222 F223 Q434 L436 V442 M443 W540	P221-Q438 WeakPolarHBondContact O-CG 3.34Å; L222-Q438 HydrophobicContact CD2-CG 4.45Å; L222-Q438 WeakPolarHBondContact O-CG 3.5Å; L222-Q438 PolarHBondContact O-NE2 2.9Å; L222-Q438 VanDerWaalsContact O-NE2 3.13Å; F223-Q438 HydrophobicContact CD2-CB 4.46Å; F223-Q438 HydrophobicContact CD2-CG 4.19Å; Q434-Q438 VanDerWaalsContact O-CB 3.22Å; Q434-Q438 WeakPolarHBondContact O-CB 3.15Å; Q434-Q438 PolarHBondContact O-N 2.84Å; L436-Q438 VanDerWaalsContact C-N 3.34Å; L436-Q438 PolarHBondContact O-N 2.82Å; Q438-V442 WeakPolarHBondContact O-CB 2.96Å; Q438-M443 WeakPolarHBondContact O-CB 3.49Å; Q438-M443 WeakPolarHBondContact O-CG 3.49Å; Q438-M443 PolarHBondContact O-N 3.01Å; Q438-W540 HydrophobicContact CB-CZ2 4.29Å
439	K	98.1	Very high	97.6	Very high	3 Å²	3	6.2 Å²	6.2	1%	0.013	3%	0.034	C	C	.	.	I	π-helix	trans	-71.6	-58.2	178	-173.7	179	63.4	173.3	0	112.4	F223 W229 E232 C287 S435 L436 I437 A444	F223-K439 HydrophobicContact CD1-CG 4.36Å; F223-K439 HydrophobicContact CD2-CB 3.88Å; F223-K439 HydrophobicContact CE1-CB 4.46Å; F223-K439 HydrophobicContact CE1-CD 4Å; F223-K439 HydrophobicContact CE1-CG 4.27Å; F223-K439 HydrophobicContact CE2-CB 3.76Å; F223-K439 HydrophobicContact CE2-CG 4.44Å; F223-K439 HydrophobicContact CG-CB 4.29Å; F223-K439 HydrophobicContact CG-CG 4.48Å; F223-K439 HydrophobicContact CZ-CB 4.07Å; F223-K439 HydrophobicContact CZ-CD 4.04Å; F223-K439 HydrophobicContact CZ-CG 4.31Å; W229-K439 HydrophobicContact CH2-CG 3.93Å; W229-K439 HydrophobicContact CZ3-CD 4.15Å; W229-K439 HydrophobicContact CZ3-CG 3.93Å; E232-K439 HydrophobicContact CG-CD 4.38Å; E232-K439 IonicContact OE1-NZ 2.72Å; E232-K439 PolarHBondContact OE1-NZ 2.64Å; E232-K439 VanDerWaalsContact OE1-NZ 3.11Å; C287-K439 PolarHBondContact O-NZ 2.75Å; S435-K439 VanDerWaalsContact O-CB 3.28Å; S435-K439 WeakPolarHBondContact O-CB 3.21Å; S435-K439 PolarHBondContact O-N 2.71Å; L436-K439 PolarHBondContact O-N 3.09Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 2.95Å; K439-A444 WeakPolarHBondContact O-CB 3.1Å; K439-A444 PolarHBondContact O-N 2.84Å; K439-A444 VanDerWaalsContact O-N 3.07Å
440	E	98.1	Very high	97.6	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.009	4%	0.036	C	C	.	.	I	π-helix	trans	-83.5	-21.4	-166.4	-67.2	-60.1	158.5	0	0	114.5	C287 R298 C413 S417 Q420 L436 A444	C287-E440 VanDerWaalsContact CB-OE1 3.27Å; C287-E440 WeakPolarHBondContact CB-OE1 2.97Å; R298-E440 IonicContact CZ-OE2 2.63Å; R298-E440 PolarHBondContact NH1-O 3.31Å; R298-E440 IonicContact NH1-OE2 2.66Å; R298-E440 PolarHBondContact NH1-OE2 2.92Å; C413-E440 PolarHBondContact SG-O 2.81Å; C413-E440 VanDerWaalsContact SG-O 3.33Å; S417-E440 WeakPolarHBondContact OG-CB 3.24Å; Q420-E440 PolarHBondContact NE2-OE1 2.85Å; L436-E440 HydrophobicContact CD1-CG 3.71Å; L436-E440 HydrophobicContact CG-CG 4.5Å; L436-E440 WeakPolarHBondContact O-CB 3.35Å; L436-E440 PolarHBondContact O-N 2.92Å; E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.38Å
441	W	98.4	Very high	97.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-112.2	-57.1	-178.2	-59.3	72.1	0	0	0	110.6	C413 C414 S417 I437 G445 Y446 F448 F465 F468	C413-W441 HydrophobicContact CB-CD2 3.88Å; C413-W441 HydrophobicContact CB-CE3 3.93Å; C413-W441 HydrophobicContact CB-CG 4.48Å; C413-W441 HydrophobicContact CB-CH2 4.12Å; C413-W441 HydrophobicContact CB-CZ2 4.06Å; C413-W441 HydrophobicContact CB-CZ3 4.05Å; C414-W441 HydrophobicContact CB-CH2 4.09Å; C414-W441 HydrophobicContact CB-CZ2 4.23Å; S417-W441 PolarHBondContact OG-NE1 2.85Å; I437-W441 HydrophobicContact CG2-CB 4.29Å; I437-W441 HydrophobicContact CG2-CG 4.44Å; I437-W441 WeakPolarHBondContact O-CA 3.5Å; I437-W441 VanDerWaalsContact O-CB 3.28Å; I437-W441 WeakPolarHBondContact O-CB 2.84Å; I437-W441 PolarHBondContact O-N 3.34Å; W441-G445 PolarHBondContact O-N 3.35Å; W441-Y446 AromaticContact CE3-CD1 3.83Å; W441-Y446 HydrophobicContact CE3-CD1 3.83Å; W441-Y446 AromaticContact CE3-CD2 3.65Å; W441-Y446 HydrophobicContact CE3-CD2 3.65Å; W441-Y446 HydrophobicContact CE3-CE1 4.11Å; W441-Y446 AromaticContact CE3-CE2 3.99Å; W441-Y446 HydrophobicContact CE3-CE2 3.99Å; W441-Y446 AromaticContact CE3-CG 3.59Å; W441-Y446 HydrophobicContact CE3-CG 3.59Å; W441-Y446 HydrophobicContact CZ3-CD1 4.35Å; W441-Y446 AromaticContact CZ3-CD2 3.76Å; W441-Y446 HydrophobicContact CZ3-CD2 3.76Å; W441-Y446 HydrophobicContact CZ3-CE1 4.2Å; W441-Y446 AromaticContact CZ3-CE2 3.64Å; W441-Y446 HydrophobicContact CZ3-CE2 3.64Å; W441-Y446 HydrophobicContact CZ3-CG 4.13Å; W441-Y446 AromaticContact CZ3-CZ 3.85Å; W441-Y446 WeakPolarHBondContact O-CB 3.45Å; W441-Y446 PolarHBondContact O-N 2.98Å; W441-F448 HydrophobicContact CB-CE2 3.86Å; W441-F448 HydrophobicContact CB-CZ 3.84Å; W441-F448 HydrophobicContact CE3-CZ 4.44Å; W441-F465 AromaticContact CD2-CD2 3.66Å; W441-F465 HydrophobicContact CD2-CD2 3.66Å; W441-F465 HydrophobicContact CD2-CE2 4.06Å; W441-F465 AromaticContact CE2-CD2 3.93Å; W441-F465 HydrophobicContact CE3-CB 4.27Å; W441-F465 AromaticContact CE3-CD2 3.55Å; W441-F465 HydrophobicContact CE3-CD2 3.55Å; W441-F465 HydrophobicContact CE3-CE2 4.37Å; W441-F465 HydrophobicContact CE3-CG 4.34Å; W441-F465 HydrophobicContact CG-CD2 4.33Å; W441-F465 HydrophobicContact CG-CE2 4.3Å; W441-F465 HydrophobicContact CH2-CB 4.37Å; W441-F465 HydrophobicContact CH2-CD2 4.01Å; W441-F465 HydrophobicContact CZ2-CD2 4.11Å; W441-F465 HydrophobicContact CZ3-CB 3.85Å; W441-F465 AromaticContact CZ3-CD2 3.74Å; W441-F465 HydrophobicContact CZ3-CD2 3.74Å; W441-F465 HydrophobicContact CZ3-CG 4.3Å; W441-F468 AromaticContact CE2-CD1 3.99Å; W441-F468 HydrophobicContact CH2-CB 3.72Å; W441-F468 HydrophobicContact CH2-CD1 4.47Å; W441-F468 HydrophobicContact CH2-CG 4.21Å; W441-F468 HydrophobicContact CZ2-CB 3.5Å; W441-F468 VanDerWaalsContact CZ2-CB 3.5Å; W441-F468 AromaticContact CZ2-CD1 3.65Å; W441-F468 HydrophobicContact CZ2-CD1 3.65Å; W441-F468 HydrophobicContact CZ2-CD2 4.13Å; W441-F468 HydrophobicContact CZ2-CE1 4.43Å; W441-F468 AromaticContact CZ2-CG 3.46Å; W441-F468 HydrophobicContact CZ2-CG 3.46Å; W441-F468 VanDerWaalsContact CZ2-CG 3.46Å
442	V	98.1	Very high	97.5	Very high	12 Å²	12	5.6 Å²	5.6	7%	0.073	3%	0.03	C	C	.	.	I	π-helix	trans	-72.1	-58	-172.9	-174.9	0	0	0	0	110.9	I437 Q438 G445 F448 T504 F505	I437-V442 PolarHBondContact O-N 2.99Å; I437-V442 VanDerWaalsContact O-N 3.14Å; Q438-V442 WeakPolarHBondContact O-CB 2.96Å; V442-G445 PolarHBondContact O-N 2.86Å; V442-F448 HydrophobicContact CG2-CE2 4.08Å; V442-T504 WeakPolarHBondContact CG1-O 3.42Å; V442-T504 HydrophobicContact CG2-CG2 3.67Å; V442-T504 WeakPolarHBondContact CG2-O 3.27Å; V442-F505 HydrophobicContact CG2-CD1 4.36Å; V442-F505 HydrophobicContact CG2-CE1 4.17Å
443	M	96.9	Very high	97.4	Very high	4 Å²	4	6.4 Å²	6.4	2%	0.02	3%	0.034	C	C	.	.	I	π-helix	trans	-76.2	-33.3	-176	-65.6	-45.8	-66.9	0	0	113	L222 F223 E224 W229 P257 Q438 G445 P510	L222-M443 VanDerWaalsContact O-CG 3.29Å; L222-M443 WeakPolarHBondContact O-CG 3.44Å; F223-M443 HydrophobicContact CB-CB 4.31Å; F223-M443 HydrophobicContact CB-CG 3.74Å; F223-M443 WeakPolarHBondContact O-CE 3.16Å; E224-M443 HydrophobicContact CG-CE 4.06Å; E224-M443 HydrophobicContact CG-SD 4.19Å; W229-M443 HydrophobicContact CZ2-CB 4.39Å; P257-M443 HydrophobicContact CB-CB 4.47Å; P257-M443 HydrophobicContact CB-CE 3.96Å; P257-M443 VanDerWaalsContact CD-O 3.29Å; P257-M443 WeakPolarHBondContact CD-O 3.16Å; Q438-M443 WeakPolarHBondContact O-CB 3.49Å; Q438-M443 WeakPolarHBondContact O-CG 3.49Å; Q438-M443 PolarHBondContact O-N 3.01Å; M443-G445 PolarHBondContact O-N 2.7Å; M443-P510 HydrophobicContact CE-CB 3.92Å; M443-P510 HydrophobicContact CE-CG 3.61Å; M443-P510 HydrophobicContact SD-CG 3.94Å
444	A	94.9	Very high	97.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.4	171.9	0	0	0	0	0	113.3	R282 L285 K439 E440	R282-A444 PolarHBondContact NH1-O 2.81Å; R282-A444 PolarHBondContact NH2-O 3.2Å; L285-A444 HydrophobicContact CD2-CB 4.14Å; K439-A444 WeakPolarHBondContact O-CB 3.1Å; K439-A444 PolarHBondContact O-N 2.84Å; K439-A444 VanDerWaalsContact O-N 3.07Å; E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.38Å
445	G	96.1	Very high	96.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	37	171	0	0	0	0	0	114.8	R409 W441 V442 M443 N508	R409-G445 WeakPolarHBondContact CD-O 3.21Å; W441-G445 PolarHBondContact O-N 3.35Å; V442-G445 PolarHBondContact O-N 2.86Å; M443-G445 PolarHBondContact O-N 2.7Å; G445-N508 CarbonylContact C-O 3.47Å; G445-N508 VanDerWaalsContact O-O 3.13Å
446	Y	97.4	Very high	96.4	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.012	4%	0.044	C	C	.	.			trans	-57	137.4	164.2	-178.6	-101.7	0	0	0	109.6	R409 D410 W441 F448 R451 L464 F465	R409-Y446 VanDerWaalsContact O-CD2 3.23Å; R409-Y446 WeakPolarHBondContact O-CD2 3.49Å; D410-Y446 WeakPolarHBondContact OD1-CE2 3.42Å; W441-Y446 AromaticContact CE3-CD1 3.83Å; W441-Y446 HydrophobicContact CE3-CD1 3.83Å; W441-Y446 AromaticContact CE3-CD2 3.65Å; W441-Y446 HydrophobicContact CE3-CD2 3.65Å; W441-Y446 HydrophobicContact CE3-CE1 4.11Å; W441-Y446 AromaticContact CE3-CE2 3.99Å; W441-Y446 HydrophobicContact CE3-CE2 3.99Å; W441-Y446 AromaticContact CE3-CG 3.59Å; W441-Y446 HydrophobicContact CE3-CG 3.59Å; W441-Y446 HydrophobicContact CZ3-CD1 4.35Å; W441-Y446 AromaticContact CZ3-CD2 3.76Å; W441-Y446 HydrophobicContact CZ3-CD2 3.76Å; W441-Y446 HydrophobicContact CZ3-CE1 4.2Å; W441-Y446 AromaticContact CZ3-CE2 3.64Å; W441-Y446 HydrophobicContact CZ3-CE2 3.64Å; W441-Y446 HydrophobicContact CZ3-CG 4.13Å; W441-Y446 AromaticContact CZ3-CZ 3.85Å; W441-Y446 WeakPolarHBondContact O-CB 3.45Å; W441-Y446 PolarHBondContact O-N 2.98Å; Y446-F448 VanDerWaalsContact C-N 3.26Å; Y446-F448 HydrophobicContact CD1-CB 4.48Å; Y446-F448 AromaticContact CD1-CD1 3.75Å; Y446-F448 HydrophobicContact CD1-CD1 3.75Å; Y446-F448 AromaticContact CD1-CD2 3.69Å; Y446-F448 HydrophobicContact CD1-CD2 3.69Å; Y446-F448 AromaticContact CD1-CE1 3.76Å; Y446-F448 HydrophobicContact CD1-CE1 3.76Å; Y446-F448 AromaticContact CD1-CE2 3.7Å; Y446-F448 HydrophobicContact CD1-CE2 3.7Å; Y446-F448 AromaticContact CD1-CG 3.7Å; Y446-F448 HydrophobicContact CD1-CG 3.7Å; Y446-F448 AromaticContact CD1-CZ 3.73Å; Y446-F448 HydrophobicContact CD1-CZ 3.73Å; Y446-F448 AromaticContact CE1-CD1 3.84Å; Y446-F448 HydrophobicContact CE1-CD1 3.84Å; Y446-F448 AromaticContact CE1-CE1 3.91Å; Y446-F448 HydrophobicContact CE1-CE1 3.91Å; Y446-F448 HydrophobicContact CE1-CG 4.18Å; Y446-F448 HydrophobicContact CE1-CZ 4.31Å; Y446-F448 HydrophobicContact CG-CE2 4.39Å; Y446-F448 PolarHBondContact O-N 3.03Å; Y446-R451 HydrophobicContact CE1-CB 3.9Å; Y446-R451 HydrophobicContact CE1-CG 3.93Å; Y446-R451 HydrophobicContact CE2-CG 4.12Å; Y446-R451 WeakPolarHBondContact OH-CB 3.48Å; Y446-R451 WeakPolarHBondContact OH-CG 3.46Å; Y446-L464 HydrophobicContact CE2-CD2 4.28Å; Y446-F465 HydrophobicContact CE1-CB 4.36Å
447	Q	96.7	Very high	95.8	Very high	13 Å²	13	15.9 Å²	15.9	6%	0.061	7%	0.072	C	C	.	.			trans	-82.2	59.6	-169.8	-60.3	-165.4	-68.4	0	0	112.8	L449 D450 R451 N508	Q447-L449 VanDerWaalsContact C-N 3.31Å; Q447-L449 PolarHBondContact O-N 3.42Å; Q447-D450 HydrophobicContact CB-CB 4.24Å; Q447-D450 PolarHBondContact NE2-OD2 3.47Å; Q447-D450 PolarHBondContact O-N 3.37Å; Q447-D450 VanDerWaalsContact O-N 3.12Å; Q447-R451 HydrophobicContact CB-CG 4.12Å; Q447-R451 VanDerWaalsContact O-CB 3.3Å; Q447-R451 WeakPolarHBondContact O-CB 3.33Å; Q447-R451 WeakPolarHBondContact O-CG 3.5Å; Q447-R451 PolarHBondContact O-N 3.16Å; Q447-N508 WeakPolarHBondContact CA-OD1 3.28Å; Q447-N508 HydrophobicContact CB-CB 4.2Å; Q447-N508 WeakPolarHBondContact CB-OD1 3.49Å; Q447-N508 HydrophobicContact CG-CB 4.28Å; Q447-N508 PolarHBondContact O-OD1 3.3Å; Q447-N508 VanDerWaalsContact O-OD1 3.11Å
448	F	97.7	Very high	95	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-53.5	-43.6	-173.1	-80.1	-75.8	0	0	0	113.6	W441 V442 Y446 D450 R451 C452 F465 F505	W441-F448 HydrophobicContact CB-CE2 3.86Å; W441-F448 HydrophobicContact CB-CZ 3.84Å; W441-F448 HydrophobicContact CE3-CZ 4.44Å; V442-F448 HydrophobicContact CG2-CE2 4.08Å; Y446-F448 VanDerWaalsContact C-N 3.26Å; Y446-F448 HydrophobicContact CD1-CB 4.48Å; Y446-F448 AromaticContact CD1-CD1 3.75Å; Y446-F448 HydrophobicContact CD1-CD1 3.75Å; Y446-F448 AromaticContact CD1-CD2 3.69Å; Y446-F448 HydrophobicContact CD1-CD2 3.69Å; Y446-F448 AromaticContact CD1-CE1 3.76Å; Y446-F448 HydrophobicContact CD1-CE1 3.76Å; Y446-F448 AromaticContact CD1-CE2 3.7Å; Y446-F448 HydrophobicContact CD1-CE2 3.7Å; Y446-F448 AromaticContact CD1-CG 3.7Å; Y446-F448 HydrophobicContact CD1-CG 3.7Å; Y446-F448 AromaticContact CD1-CZ 3.73Å; Y446-F448 HydrophobicContact CD1-CZ 3.73Å; Y446-F448 AromaticContact CE1-CD1 3.84Å; Y446-F448 HydrophobicContact CE1-CD1 3.84Å; Y446-F448 AromaticContact CE1-CE1 3.91Å; Y446-F448 HydrophobicContact CE1-CE1 3.91Å; Y446-F448 HydrophobicContact CE1-CG 4.18Å; Y446-F448 HydrophobicContact CE1-CZ 4.31Å; Y446-F448 HydrophobicContact CG-CE2 4.39Å; Y446-F448 PolarHBondContact O-N 3.03Å; F448-D450 VanDerWaalsContact C-N 3.32Å; F448-D450 PolarHBondContact O-N 2.91Å; F448-R451 PolarHBondContact O-N 3.3Å; F448-C452 WeakPolarHBondContact O-CB 3.29Å; F448-C452 PolarHBondContact O-N 2.84Å; F448-C452 PolarHBondContact O-SG 3.25Å; F448-F465 HydrophobicContact CE1-CB 4.35Å; F448-F465 HydrophobicContact CE1-CD1 4.1Å; F448-F465 HydrophobicContact CE1-CD2 4.24Å; F448-F465 HydrophobicContact CE1-CE1 4.45Å; F448-F465 AromaticContact CE1-CG 3.97Å; F448-F465 HydrophobicContact CE1-CG 3.97Å; F448-F465 HydrophobicContact CZ-CD2 4.26Å; F448-F465 HydrophobicContact CZ-CE2 4.39Å; F448-F465 HydrophobicContact CZ-CG 4.45Å; F448-F505 HydrophobicContact CB-CB 4.46Å; F448-F505 VanDerWaalsContact CB-O 3.29Å; F448-F505 WeakPolarHBondContact CB-O 3.37Å; F448-F505 HydrophobicContact CD1-CB 4.02Å; F448-F505 AromaticContact CD1-CD1 3.93Å; F448-F505 HydrophobicContact CD1-CD1 3.93Å; F448-F505 HydrophobicContact CD1-CG 4.26Å; F448-F505 HydrophobicContact CD2-CD1 4.06Å; F448-F505 HydrophobicContact CE1-CB 4.43Å; F448-F505 AromaticContact CE1-CD1 3.53Å; F448-F505 HydrophobicContact CE1-CD1 3.53Å; F448-F505 HydrophobicContact CE1-CE1 4.05Å; F448-F505 HydrophobicContact CE1-CG 4.18Å; F448-F505 AromaticContact CE2-CD1 3.67Å; F448-F505 HydrophobicContact CE2-CD1 3.67Å; F448-F505 HydrophobicContact CE2-CE1 4.18Å; F448-F505 HydrophobicContact CG-CB 4.13Å; F448-F505 HydrophobicContact CG-CD1 4.19Å; F448-F505 AromaticContact CZ-CD1 3.4Å; F448-F505 HydrophobicContact CZ-CD1 3.4Å; F448-F505 AromaticContact CZ-CE1 3.68Å; F448-F505 HydrophobicContact CZ-CE1 3.68Å; F448-F505 HydrophobicContact CZ-CG 4.44Å
449	L	96.5	Very high	94.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-44.9	-179.8	179.4	67.9	0	0	0	112.2	L172 L175 Q447 N453 H454 L455 N508	L172-L449 HydrophobicContact CD1-CD1 3.41Å; L172-L449 VanDerWaalsContact CD1-CD1 3.41Å; L172-L449 HydrophobicContact CD1-CD2 3.74Å; L172-L449 HydrophobicContact CD1-CG 4.18Å; L172-L449 HydrophobicContact CD2-CD2 4.37Å; L175-L449 HydrophobicContact CD1-CD1 4.14Å; Q447-L449 VanDerWaalsContact C-N 3.31Å; Q447-L449 PolarHBondContact O-N 3.42Å; L449-N453 PolarHBondContact O-N 2.84Å; L449-H454 HydrophobicContact CD1-CB 3.97Å; L449-H454 PolarHBondContact O-N 2.91Å; L449-L455 HydrophobicContact CD1-CD1 4.16Å; L449-L455 HydrophobicContact CD1-CD2 4.33Å; L449-L455 HydrophobicContact CD1-CG 3.9Å; L449-L455 HydrophobicContact CD2-CD1 3.97Å; L449-L455 HydrophobicContact CG-CD1 4.26Å; L449-L455 HydrophobicContact CG-CG 4.36Å; L449-N508 VanDerWaalsContact CB-OD1 3.31Å; L449-N508 WeakPolarHBondContact CB-OD1 2.96Å; L449-N508 PolarHBondContact N-OD1 2.98Å; L449-N508 VanDerWaalsContact N-OD1 3.14Å
450	D	96.4	Very high	94.1	Very high	38 Å²	38	29.5 Å²	29.5	20%	0.203	14%	0.137	C	C	.	.	H	α-helix	trans	-77.7	-41.7	-178.3	-63.8	-11.1	0	0	0	111.5	Q447 F448 N453 S458 N508	Q447-D450 HydrophobicContact CB-CB 4.24Å; Q447-D450 PolarHBondContact NE2-OD2 3.47Å; Q447-D450 PolarHBondContact O-N 3.37Å; Q447-D450 VanDerWaalsContact O-N 3.12Å; F448-D450 VanDerWaalsContact C-N 3.32Å; F448-D450 PolarHBondContact O-N 2.91Å; D450-N453 PolarHBondContact O-N 2.9Å; D450-S458 WeakPolarHBondContact O-CB 3.46Å; D450-S458 PolarHBondContact O-OG 3.45Å; D450-N508 PolarHBondContact N-OD1 2.82Å; D450-N508 VanDerWaalsContact N-OD1 3.08Å; D450-N508 PolarHBondContact OD1-ND2 2.94Å; D450-N508 PolarHBondContact OD2-ND2 3.12Å
451	R	97	Very high	94	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-71.6	-38.4	-176.9	-65.1	-75.1	172.7	-63.2	-11	112	D410 Y446 Q447 F448 N453 K460 E461 S462	D410-R451 IonicContact OD1-CZ 3.98Å; D410-R451 IonicContact OD1-NE 3.89Å; D410-R451 PolarHBondContact OD1-NE 3.44Å; D410-R451 IonicContact OD1-NH2 2.67Å; D410-R451 PolarHBondContact OD1-NH2 2.91Å; D410-R451 IonicContact OD2-CZ 3.21Å; D410-R451 IonicContact OD2-NE 3.94Å; D410-R451 IonicContact OD2-NH2 3.06Å; D410-R451 PolarHBondContact OD2-NH2 2.82Å; Y446-R451 HydrophobicContact CE1-CB 3.9Å; Y446-R451 HydrophobicContact CE1-CG 3.93Å; Y446-R451 HydrophobicContact CE2-CG 4.12Å; Y446-R451 WeakPolarHBondContact OH-CB 3.48Å; Y446-R451 WeakPolarHBondContact OH-CG 3.46Å; Q447-R451 HydrophobicContact CB-CG 4.12Å; Q447-R451 VanDerWaalsContact O-CB 3.3Å; Q447-R451 WeakPolarHBondContact O-CB 3.33Å; Q447-R451 WeakPolarHBondContact O-CG 3.5Å; Q447-R451 PolarHBondContact O-N 3.16Å; F448-R451 PolarHBondContact O-N 3.3Å; R451-N453 VanDerWaalsContact C-N 3.28Å; R451-K460 WeakPolarHBondContact CD-O 3.27Å; R451-K460 VanDerWaalsContact NH1-CB 3.28Å; R451-K460 PolarHBondContact NH1-O 2.8Å; R451-K460 VanDerWaalsContact NH1-O 3.15Å; R451-E461 WeakPolarHBondContact O-CG 3.32Å; R451-S462 PolarHBondContact O-N 2.95Å
452	C	95.8	Very high	93.9	Very high	24 Å²	24	31.8 Å²	31.8	16%	0.162	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.7	171.7	-61.1	0	0	0	0	112.6	K139 F448 H454	K139-C452 PolarHBondContact NZ-O 3.22Å; F448-C452 WeakPolarHBondContact O-CB 3.29Å; F448-C452 PolarHBondContact O-N 2.84Å; F448-C452 PolarHBondContact O-SG 3.25Å; C452-H454 WeakPolarHBondContact CB-CE1 3.47Å; C452-H454 PolarHBondContact O-N 3.36Å
453	N	95.3	Very high	93.9	Very high	16 Å²	16	31.6 Å²	31.6	9%	0.086	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	51.7	176.7	-165.6	19.8	0	0	0	113.3	K139 L449 D450 R451 L455 K456 R457 S458 E461	K139-N453 PolarHBondContact NZ-O 3.33Å; L449-N453 PolarHBondContact O-N 2.84Å; D450-N453 PolarHBondContact O-N 2.9Å; R451-N453 VanDerWaalsContact C-N 3.28Å; N453-L455 VanDerWaalsContact C-N 3.28Å; N453-L455 PolarHBondContact O-N 3.17Å; N453-K456 PolarHBondContact O-N 3.13Å; N453-K456 WeakPolarHBondContact OD1-CA 3.42Å; N453-K456 PolarHBondContact OD1-N 2.6Å; N453-R457 PolarHBondContact OD1-N 3.46Å; N453-R457 VanDerWaalsContact OD1-N 3.12Å; N453-S458 PolarHBondContact OD1-N 3.1Å; N453-S458 VanDerWaalsContact OD1-N 3.13Å; N453-E461 HydrophobicContact CB-CB 3.96Å; N453-E461 VanDerWaalsContact CB-CD 3.47Å; N453-E461 HydrophobicContact CB-CG 3.79Å; N453-E461 WeakPolarHBondContact CB-OE2 3.43Å; N453-E461 PolarHBondContact ND2-OE2 2.94Å
454	H	94.2	Very high	93.9	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.5	-179.3	-63.6	-37.7	0	0	0	113	T103 L175 L449 C452 T497	T103-H454 HydrophobicContact CG2-CB 3.89Å; L175-H454 HydrophobicContact CD1-CB 4.16Å; L175-H454 HydrophobicContact CD2-CB 4.43Å; L449-H454 HydrophobicContact CD1-CB 3.97Å; L449-H454 PolarHBondContact O-N 2.91Å; C452-H454 WeakPolarHBondContact CB-CE1 3.47Å; C452-H454 PolarHBondContact O-N 3.36Å; H454-T497 PolarHBondContact CE1-O 3.13Å; H454-T497 PolarHBondContact NE2-O 3.49Å
455	L	92.6	Very high	94.1	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.9	179.2	-52.3	-175.7	0	0	0	113.4	P169 L172 L175 L449 N453 R457	P169-L455 HydrophobicContact CB-CD2 4.42Å; P169-L455 HydrophobicContact CG-CD2 3.86Å; L172-L455 HydrophobicContact CB-CD1 4.41Å; L175-L455 HydrophobicContact CD1-CD2 4.2Å; L175-L455 HydrophobicContact CD2-CD2 4.39Å; L175-L455 HydrophobicContact CG-CD2 4.22Å; L449-L455 HydrophobicContact CD1-CD1 4.16Å; L449-L455 HydrophobicContact CD1-CD2 4.33Å; L449-L455 HydrophobicContact CD1-CG 3.9Å; L449-L455 HydrophobicContact CD2-CD1 3.97Å; L449-L455 HydrophobicContact CG-CD1 4.26Å; L449-L455 HydrophobicContact CG-CG 4.36Å; N453-L455 VanDerWaalsContact C-N 3.28Å; N453-L455 PolarHBondContact O-N 3.17Å; L455-R457 HydrophobicContact CB-CG 3.9Å; L455-R457 PolarHBondContact O-N 3.41Å
456	K	88.6	Confident	94.2	Very high	40 Å²	40	33 Å²	33	17%	0.174	16%	0.155	C	C	.	.	S	Bend	trans	55.2	30	173.5	-55.8	-63	-175.9	166.8	0	115	I105 K139 Q168 N453	I105-K456 WeakPolarHBondContact O-CE 3.49Å; I105-K456 PolarHBondContact O-NZ 3Å; K139-K456 VanDerWaalsContact CE-NZ 3.29Å; Q168-K456 HydrophobicContact CB-CB 4.27Å; Q168-K456 HydrophobicContact CB-CG 4.21Å; Q168-K456 HydrophobicContact CG-CB 4.23Å; Q168-K456 HydrophobicContact CG-CG 3.96Å; N453-K456 PolarHBondContact O-N 3.13Å; N453-K456 WeakPolarHBondContact OD1-CA 3.42Å; N453-K456 PolarHBondContact OD1-N 2.6Å
457	R	84.8	Confident	94.3	Very high	154 Å²	154	32.9 Å²	32.9	58%	0.581	15%	0.154	S	C	*	.			trans	-133.1	1	-174.6	67.8	-172.4	-174.9	-177	1.6	113.6	T170 N453 L455	T170-R457 PolarHBondContact O-NH1 3.23Å; N453-R457 PolarHBondContact OD1-N 3.46Å; N453-R457 VanDerWaalsContact OD1-N 3.12Å; L455-R457 HydrophobicContact CB-CG 3.9Å; L455-R457 PolarHBondContact O-N 3.41Å
458	S	83.6	Confident	94.4	Very high	22 Å²	22	32.3 Å²	32.3	15%	0.154	15%	0.151	C	C	.	.			trans	-92.3	120.1	-174.3	-178.8	0	0	0	0	110.7	D450 N453 K460	D450-S458 WeakPolarHBondContact O-CB 3.46Å; D450-S458 PolarHBondContact O-OG 3.45Å; N453-S458 PolarHBondContact OD1-N 3.1Å; N453-S458 VanDerWaalsContact OD1-N 3.13Å; S458-K460 PolarHBondContact O-N 2.95Å; S458-K460 PolarHBondContact OG-N 3.48Å; S458-K460 VanDerWaalsContact OG-N 3.1Å
459	E	87.4	Confident	94.4	Very high	189 Å²	189	32.5 Å²	32.5	88%	0.883	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.2	165.5	-62.3	-179.2	171.4	0	0	112.1
460	K	90.2	Very high	94.5	Very high	83 Å²	83	34 Å²	34	36%	0.361	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	27.2	179.7	-53.7	-173.6	174.6	-168.2	0	111.9	I341 E407 R451 S458 S462	I341-K460 HydrophobicContact CD1-CB 4.36Å; E407-K460 IonicContact OE1-NZ 3.6Å; R451-K460 WeakPolarHBondContact CD-O 3.27Å; R451-K460 VanDerWaalsContact NH1-CB 3.28Å; R451-K460 PolarHBondContact NH1-O 2.8Å; R451-K460 VanDerWaalsContact NH1-O 3.15Å; S458-K460 PolarHBondContact O-N 2.95Å; S458-K460 PolarHBondContact OG-N 3.48Å; S458-K460 VanDerWaalsContact OG-N 3.1Å; K460-S462 PolarHBondContact O-N 3.49Å
461	E	95.4	Very high	94.7	Very high	44 Å²	44	32.1 Å²	32.1	21%	0.206	15%	0.15	C	C	.	.			trans	-60.2	132.4	169.8	-173.9	165	-165.6	0	0	109.1	K139 Q345 R451 N453	K139-E461 WeakPolarHBondContact CE-OE1 3.38Å; K139-E461 IonicContact NZ-OE1 3.2Å; Q345-E461 WeakPolarHBondContact CB-O 3.19Å; Q345-E461 WeakPolarHBondContact CG-O 3.47Å; R451-E461 WeakPolarHBondContact O-CG 3.32Å; N453-E461 HydrophobicContact CB-CB 3.96Å; N453-E461 VanDerWaalsContact CB-CD 3.47Å; N453-E461 HydrophobicContact CB-CG 3.79Å; N453-E461 WeakPolarHBondContact CB-OE2 3.43Å; N453-E461 PolarHBondContact ND2-OE2 2.94Å
462	S	96.4	Very high	94.7	Very high	5 Å²	5	32 Å²	32	4%	0.035	15%	0.15	C	C	.	.			trans	-160.6	136.3	178.6	-173.8	0	0	0	0	110.9	I341 R451 K460 L464	I341-S462 PolarHBondContact O-OG 2.99Å; R451-S462 PolarHBondContact O-N 2.95Å; K460-S462 PolarHBondContact O-N 3.49Å; S462-L464 PolarHBondContact O-N 3.07Å
463	P	97.2	Very high	94.9	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.058	16%	0.157	C	C	.	.			trans	-89.8	33	-178.8	40.7	-36.8	0	0	0	110.6	V344 Q345 F348 W376 F465 L466 L467	V344-P463 HydrophobicContact CG1-CG 3.99Å; Q345-P463 VanDerWaalsContact OE1-CD 3.29Å; F348-P463 HydrophobicContact CB-CB 4.34Å; F348-P463 HydrophobicContact CB-CG 3.47Å; F348-P463 VanDerWaalsContact CB-CG 3.47Å; F348-P463 HydrophobicContact CD1-CB 4.1Å; F348-P463 HydrophobicContact CD1-CG 4Å; F348-P463 HydrophobicContact CD2-CB 4.19Å; F348-P463 HydrophobicContact CD2-CG 4.18Å; F348-P463 HydrophobicContact CE1-CB 4.48Å; F348-P463 HydrophobicContact CG-CB 3.95Å; F348-P463 HydrophobicContact CG-CG 3.63Å; W376-P463 HydrophobicContact CH2-CB 4.25Å; W376-P463 HydrophobicContact CH2-CG 3.93Å; W376-P463 HydrophobicContact CZ3-CG 3.74Å; P463-F465 PolarHBondContact O-N 3.19Å; P463-L466 HydrophobicContact CB-CB 4.15Å; P463-L466 CarbonylContact O-C 3.53Å; P463-L466 WeakPolarHBondContact O-CA 3.4Å; P463-L466 VanDerWaalsContact O-CB 3.32Å; P463-L466 WeakPolarHBondContact O-CB 3.49Å; P463-L466 PolarHBondContact O-N 2.87Å; P463-L467 PolarHBondContact O-N 2.92Å
464	L	98.3	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-33.8	-176.3	-172.4	66.8	0	0	0	112.3	I341 F383 D410 L411 C414 Y446 S462 L467 F468	I341-L464 HydrophobicContact CG2-CD2 4.41Å; F383-L464 HydrophobicContact CE1-CD1 4.07Å; F383-L464 HydrophobicContact CE2-CD1 4.41Å; F383-L464 HydrophobicContact CZ-CD1 3.72Å; D410-L464 HydrophobicContact CB-CD2 3.76Å; D410-L464 WeakPolarHBondContact O-CD2 3.14Å; L411-L464 HydrophobicContact CD2-CD1 4.25Å; L411-L464 HydrophobicContact CD2-CD2 3.94Å; C414-L464 HydrophobicContact CB-CD1 4.43Å; C414-L464 HydrophobicContact CB-CG 4.43Å; Y446-L464 HydrophobicContact CE2-CD2 4.28Å; S462-L464 PolarHBondContact O-N 3.07Å; L464-L467 HydrophobicContact CD1-CD2 4.38Å; L464-L467 WeakPolarHBondContact O-CB 3.4Å; L464-L467 PolarHBondContact O-N 3.45Å; L464-F468 PolarHBondContact O-N 3.3Å
465	F	98.6	Very high	95.3	Very high	6 Å²	6	37 Å²	37	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-38.6	171.7	-173.6	-115.1	0	0	0	112.2	I437 W441 Y446 F448 P463 F468 L469 L493 T497 F505	I437-F465 HydrophobicContact CD1-CE2 4.38Å; I437-F465 HydrophobicContact CD1-CZ 4.17Å; I437-F465 HydrophobicContact CG1-CE2 4.25Å; I437-F465 HydrophobicContact CG1-CZ 4.49Å; I437-F465 HydrophobicContact CG2-CE2 3.98Å; I437-F465 HydrophobicContact CG2-CZ 4.08Å; W441-F465 AromaticContact CD2-CD2 3.66Å; W441-F465 HydrophobicContact CD2-CD2 3.66Å; W441-F465 HydrophobicContact CD2-CE2 4.06Å; W441-F465 AromaticContact CE2-CD2 3.93Å; W441-F465 HydrophobicContact CE3-CB 4.27Å; W441-F465 AromaticContact CE3-CD2 3.55Å; W441-F465 HydrophobicContact CE3-CD2 3.55Å; W441-F465 HydrophobicContact CE3-CE2 4.37Å; W441-F465 HydrophobicContact CE3-CG 4.34Å; W441-F465 HydrophobicContact CG-CD2 4.33Å; W441-F465 HydrophobicContact CG-CE2 4.3Å; W441-F465 HydrophobicContact CH2-CB 4.37Å; W441-F465 HydrophobicContact CH2-CD2 4.01Å; W441-F465 HydrophobicContact CZ2-CD2 4.11Å; W441-F465 HydrophobicContact CZ3-CB 3.85Å; W441-F465 AromaticContact CZ3-CD2 3.74Å; W441-F465 HydrophobicContact CZ3-CD2 3.74Å; W441-F465 HydrophobicContact CZ3-CG 4.3Å; Y446-F465 HydrophobicContact CE1-CB 4.36Å; F448-F465 HydrophobicContact CE1-CB 4.35Å; F448-F465 HydrophobicContact CE1-CD1 4.1Å; F448-F465 HydrophobicContact CE1-CD2 4.24Å; F448-F465 HydrophobicContact CE1-CE1 4.45Å; F448-F465 AromaticContact CE1-CG 3.97Å; F448-F465 HydrophobicContact CE1-CG 3.97Å; F448-F465 HydrophobicContact CZ-CD2 4.26Å; F448-F465 HydrophobicContact CZ-CE2 4.39Å; F448-F465 HydrophobicContact CZ-CG 4.45Å; P463-F465 PolarHBondContact O-N 3.19Å; F465-F468 HydrophobicContact CD2-CD1 4.17Å; F465-F468 HydrophobicContact CE2-CD1 4.07Å; F465-F468 HydrophobicContact CE2-CE1 4.42Å; F465-F468 WeakPolarHBondContact O-CB 3.22Å; F465-F468 PolarHBondContact O-N 3.22Å; F465-L469 HydrophobicContact CD1-CD1 4.11Å; F465-L469 HydrophobicContact CE1-CD1 3.76Å; F465-L469 HydrophobicContact CE1-CG 4.32Å; F465-L469 HydrophobicContact CZ-CD1 4.23Å; F465-L469 HydrophobicContact CZ-CD2 4.28Å; F465-L469 HydrophobicContact CZ-CG 4.41Å; F465-L469 WeakPolarHBondContact O-CG 3.16Å; F465-L469 PolarHBondContact O-N 3.36Å; F465-L493 HydrophobicContact CZ-CD2 4.46Å; F465-L493 HydrophobicContact CZ-CG 4.46Å; F465-T497 HydrophobicContact CD1-CG2 3.78Å; F465-T497 HydrophobicContact CE1-CG2 3.7Å; F465-F505 HydrophobicContact CE1-CZ 4.47Å; F465-F505 HydrophobicContact CZ-CE1 4.4Å; F465-F505 HydrophobicContact CZ-CZ 4.27Å
466	L	98.4	Very high	95.5	Very high	28 Å²	28	36.8 Å²	36.8	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-41.8	171.8	176.4	61.1	0	0	0	111.2	F348 W376 P463 F468 L469 D470 Y494	F348-L466 HydrophobicContact CD2-CD2 3.97Å; F348-L466 HydrophobicContact CE2-CD2 3.42Å; F348-L466 VanDerWaalsContact CE2-CD2 3.42Å; F348-L466 HydrophobicContact CZ-CD2 4.19Å; W376-L466 HydrophobicContact CH2-CD2 4.33Å; W376-L466 HydrophobicContact CH2-CG 4.35Å; W376-L466 HydrophobicContact CZ2-CD2 4.21Å; W376-L466 HydrophobicContact CZ2-CG 4.1Å; P463-L466 HydrophobicContact CB-CB 4.15Å; P463-L466 CarbonylContact O-C 3.53Å; P463-L466 WeakPolarHBondContact O-CA 3.4Å; P463-L466 VanDerWaalsContact O-CB 3.32Å; P463-L466 WeakPolarHBondContact O-CB 3.49Å; P463-L466 PolarHBondContact O-N 2.87Å; L466-F468 PolarHBondContact O-N 3.17Å; L466-L469 CarbonylContact O-C 3.54Å; L466-L469 PolarHBondContact O-N 3.06Å; L466-L469 VanDerWaalsContact O-N 3.07Å; L466-D470 WeakPolarHBondContact O-CB 3.49Å; L466-D470 PolarHBondContact O-N 3.13Å; L466-Y494 HydrophobicContact CB-CD2 4.16Å; L466-Y494 HydrophobicContact CB-CE1 4.28Å; L466-Y494 HydrophobicContact CB-CE2 3.67Å; L466-Y494 HydrophobicContact CD1-CD1 3.66Å; L466-Y494 HydrophobicContact CD1-CD2 4.2Å; L466-Y494 HydrophobicContact CD1-CE1 3.61Å; L466-Y494 HydrophobicContact CD1-CE2 4.25Å; L466-Y494 HydrophobicContact CD1-CG 3.94Å; L466-Y494 HydrophobicContact CD2-CE1 3.71Å; L466-Y494 HydrophobicContact CD2-CE2 4.5Å; L466-Y494 HydrophobicContact CG-CE1 4.05Å; L466-Y494 HydrophobicContact CG-CE2 4.34Å
467	L	98.8	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-39.6	176.4	-175.6	147.4	0	0	0	111.2	V344 W376 V380 F383 P463 L464 A471	V344-L467 HydrophobicContact CG1-CD1 3.8Å; V344-L467 HydrophobicContact CG2-CD1 4.22Å; W376-L467 HydrophobicContact CH2-CB 3.76Å; W376-L467 HydrophobicContact CH2-CD1 4.43Å; W376-L467 HydrophobicContact CH2-CG 4.47Å; W376-L467 HydrophobicContact CZ2-CB 4.12Å; W376-L467 HydrophobicContact CZ3-CB 4.48Å; W376-L467 HydrophobicContact CZ3-CD1 4.42Å; V380-L467 HydrophobicContact CG2-CG 4.25Å; F383-L467 HydrophobicContact CB-CD2 4.05Å; F383-L467 HydrophobicContact CD1-CD2 4.17Å; F383-L467 HydrophobicContact CD2-CD1 4.15Å; F383-L467 HydrophobicContact CD2-CD2 3.5Å; F383-L467 VanDerWaalsContact CD2-CD2 3.5Å; F383-L467 HydrophobicContact CD2-CG 4.49Å; F383-L467 HydrophobicContact CE2-CD1 4.1Å; F383-L467 HydrophobicContact CE2-CD2 3.89Å; F383-L467 HydrophobicContact CG-CD2 3.65Å; F383-L467 HydrophobicContact CZ-CD2 4.39Å; P463-L467 PolarHBondContact O-N 2.92Å; L464-L467 HydrophobicContact CD1-CD2 4.38Å; L464-L467 WeakPolarHBondContact O-CB 3.4Å; L464-L467 PolarHBondContact O-N 3.45Å; L467-A471 VanDerWaalsContact O-CB 3.27Å; L467-A471 WeakPolarHBondContact O-CB 3.4Å; L467-A471 PolarHBondContact O-N 3.28Å
468	F	98.9	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-43.8	172.6	163.8	-110.8	0	0	0	112.6	L418 F433 L436 I437 W441 L464 F465 L466 A471 T472	L418-F468 HydrophobicContact CD2-CD2 3.95Å; L418-F468 HydrophobicContact CD2-CE2 4.09Å; L418-F468 HydrophobicContact CG-CD2 4.05Å; L418-F468 HydrophobicContact CG-CE2 4.35Å; F433-F468 HydrophobicContact CE1-CE1 4.45Å; F433-F468 HydrophobicContact CE2-CE1 4.07Å; F433-F468 AromaticContact CE2-CZ 3.6Å; F433-F468 HydrophobicContact CE2-CZ 3.6Å; F433-F468 AromaticContact CZ-CE1 3.61Å; F433-F468 HydrophobicContact CZ-CE1 3.61Å; F433-F468 AromaticContact CZ-CZ 3.64Å; F433-F468 HydrophobicContact CZ-CZ 3.64Å; L436-F468 HydrophobicContact CD2-CZ 4.4Å; I437-F468 HydrophobicContact CG1-CE1 4.18Å; W441-F468 AromaticContact CE2-CD1 3.99Å; W441-F468 HydrophobicContact CH2-CB 3.72Å; W441-F468 HydrophobicContact CH2-CD1 4.47Å; W441-F468 HydrophobicContact CH2-CG 4.21Å; W441-F468 HydrophobicContact CZ2-CB 3.5Å; W441-F468 VanDerWaalsContact CZ2-CB 3.5Å; W441-F468 AromaticContact CZ2-CD1 3.65Å; W441-F468 HydrophobicContact CZ2-CD1 3.65Å; W441-F468 HydrophobicContact CZ2-CD2 4.13Å; W441-F468 HydrophobicContact CZ2-CE1 4.43Å; W441-F468 AromaticContact CZ2-CG 3.46Å; W441-F468 HydrophobicContact CZ2-CG 3.46Å; W441-F468 VanDerWaalsContact CZ2-CG 3.46Å; L464-F468 PolarHBondContact O-N 3.3Å; F465-F468 HydrophobicContact CD2-CD1 4.17Å; F465-F468 HydrophobicContact CE2-CD1 4.07Å; F465-F468 HydrophobicContact CE2-CE1 4.42Å; F465-F468 WeakPolarHBondContact O-CB 3.22Å; F465-F468 PolarHBondContact O-N 3.22Å; L466-F468 PolarHBondContact O-N 3.17Å; F468-A471 PolarHBondContact O-N 3.03Å; F468-T472 WeakPolarHBondContact CE2-OG1 3.42Å; F468-T472 WeakPolarHBondContact O-CB 3.47Å; F468-T472 PolarHBondContact O-N 3.3Å; F468-T472 PolarHBondContact O-OG1 2.68Å
469	L	98.8	Very high	97.1	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-39.2	178	-63.8	179	0	0	0	111.9	F433 F465 L466 T472 W473 L490 L493 Y494	F433-L469 HydrophobicContact CE1-CD2 3.96Å; F433-L469 HydrophobicContact CZ-CD2 3.95Å; F465-L469 HydrophobicContact CD1-CD1 4.11Å; F465-L469 HydrophobicContact CE1-CD1 3.76Å; F465-L469 HydrophobicContact CE1-CG 4.32Å; F465-L469 HydrophobicContact CZ-CD1 4.23Å; F465-L469 HydrophobicContact CZ-CD2 4.28Å; F465-L469 HydrophobicContact CZ-CG 4.41Å; F465-L469 WeakPolarHBondContact O-CG 3.16Å; F465-L469 PolarHBondContact O-N 3.36Å; L466-L469 CarbonylContact O-C 3.54Å; L466-L469 PolarHBondContact O-N 3.06Å; L466-L469 VanDerWaalsContact O-N 3.07Å; L469-T472 WeakPolarHBondContact O-CB 3.38Å; L469-T472 PolarHBondContact O-N 3.12Å; L469-W473 WeakPolarHBondContact O-CB 3.29Å; L469-W473 PolarHBondContact O-N 3.21Å; L469-L490 HydrophobicContact CD2-CD2 4.06Å; L469-L493 HydrophobicContact CD2-CD2 3.9Å; L469-Y494 HydrophobicContact CD1-CD2 4.4Å; L469-Y494 HydrophobicContact CD1-CG 4.4Å
470	D	98.8	Very high	97.5	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-51.3	172.9	-171.8	-23.1	0	0	0	110.1	W376 V380 L466 T472 W473 Q474	W376-D470 PolarHBondContact NE1-OD2 3.44Å; V380-D470 HydrophobicContact CG2-CB 4.34Å; L466-D470 WeakPolarHBondContact O-CB 3.49Å; L466-D470 PolarHBondContact O-N 3.13Å; D470-T472 PolarHBondContact O-N 3.07Å; D470-W473 CarbonylContact O-C 3.52Å; D470-W473 WeakPolarHBondContact O-CA 3.42Å; D470-W473 WeakPolarHBondContact O-CB 3.38Å; D470-W473 PolarHBondContact O-N 2.88Å; D470-Q474 WeakPolarHBondContact O-CG 3.43Å; D470-Q474 PolarHBondContact O-N 2.91Å; D470-Q474 PolarHBondContact OD1-NE2 2.93Å
471	A	98.9	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-37.3	174.9	0	0	0	0	0	112.7	V380 L384 L418 L467 F468 Q474 L475	V380-A471 HydrophobicContact CG1-CB 4.25Å; L384-A471 HydrophobicContact CD1-CB 4.38Å; L384-A471 HydrophobicContact CD2-CB 3.95Å; L384-A471 HydrophobicContact CG-CB 3.95Å; L418-A471 HydrophobicContact CD1-CB 4.07Å; L418-A471 HydrophobicContact CD2-CB 3.77Å; L467-A471 VanDerWaalsContact O-CB 3.27Å; L467-A471 WeakPolarHBondContact O-CB 3.4Å; L467-A471 PolarHBondContact O-N 3.28Å; F468-A471 PolarHBondContact O-N 3.03Å; A471-Q474 PolarHBondContact O-N 2.94Å; A471-L475 WeakPolarHBondContact O-CG 3.19Å; A471-L475 PolarHBondContact O-N 2.9Å
472	T	98.9	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-40.1	173.3	-57.5	0	0	0	0	111.7	F433 F468 L469 D470 L475 L476 F483 F485 L490	F433-T472 HydrophobicContact CE2-CG2 3.76Å; F433-T472 HydrophobicContact CZ-CG2 3.92Å; F468-T472 WeakPolarHBondContact CE2-OG1 3.42Å; F468-T472 WeakPolarHBondContact O-CB 3.47Å; F468-T472 PolarHBondContact O-N 3.3Å; F468-T472 PolarHBondContact O-OG1 2.68Å; L469-T472 WeakPolarHBondContact O-CB 3.38Å; L469-T472 PolarHBondContact O-N 3.12Å; D470-T472 PolarHBondContact O-N 3.07Å; T472-L475 WeakPolarHBondContact O-CB 3.43Å; T472-L475 PolarHBondContact O-N 3.18Å; T472-L475 VanDerWaalsContact O-N 3.16Å; T472-L476 PolarHBondContact O-N 3.04Å; T472-F483 HydrophobicContact CG2-CE1 4.15Å; T472-F485 HydrophobicContact CG2-CE2 4.03Å; T472-F485 HydrophobicContact CG2-CZ 3.85Å; T472-L490 HydrophobicContact CG2-CD1 4.45Å; T472-L490 HydrophobicContact CG2-CD2 4.42Å
473	W	98.8	Very high	97.9	Very high	84 Å²	84	34.4 Å²	34.4	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-40	173.9	178.8	83.8	0	0	0	111.6	L469 D470 L475 L476 E477 L490	L469-W473 WeakPolarHBondContact O-CB 3.29Å; L469-W473 PolarHBondContact O-N 3.21Å; D470-W473 CarbonylContact O-C 3.52Å; D470-W473 WeakPolarHBondContact O-CA 3.42Å; D470-W473 WeakPolarHBondContact O-CB 3.38Å; D470-W473 PolarHBondContact O-N 2.88Å; W473-L475 PolarHBondContact O-N 2.89Å; W473-L476 WeakPolarHBondContact O-CB 3.43Å; W473-L476 PolarHBondContact O-N 3.45Å; W473-L476 VanDerWaalsContact O-N 3.09Å; W473-E477 HydrophobicContact CD2-CG 3.92Å; W473-E477 HydrophobicContact CE3-CG 4.27Å; W473-E477 HydrophobicContact CH2-CG 3.9Å; W473-E477 HydrophobicContact CZ2-CG 3.51Å; W473-E477 HydrophobicContact CZ3-CG 4.25Å; W473-E477 WeakPolarHBondContact O-CG 3.45Å; W473-E477 PolarHBondContact O-N 3.16Å; W473-L490 HydrophobicContact CB-CD1 3.81Å
474	Q	98.7	Very high	98	Very high	46 Å²	46	36.2 Å²	36.2	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-36.7	172.8	-58.4	-58.5	-31.9	0	0	112.2	V380 L384 D470 A471 Q478	V380-Q474 HydrophobicContact CG1-CG 3.78Å; L384-Q474 HydrophobicContact CD1-CB 3.89Å; L384-Q474 HydrophobicContact CD1-CG 4.11Å; D470-Q474 WeakPolarHBondContact O-CG 3.43Å; D470-Q474 PolarHBondContact O-N 2.91Å; D470-Q474 PolarHBondContact OD1-NE2 2.93Å; A471-Q474 PolarHBondContact O-N 2.94Å; Q474-Q478 WeakPolarHBondContact O-CG 3.25Å; Q474-Q478 PolarHBondContact O-N 3.38Å; Q474-Q478 PolarHBondContact O-NE2 3.22Å
475	L	98.6	Very high	98	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-73.7	-38.7	175.2	-64.2	173.5	0	0	0	112	L384 L418 V421 M422 A471 T472 W473 Q478 Y479 F483	L384-L475 HydrophobicContact CD2-CD1 4.15Å; L384-L475 HydrophobicContact CD2-CD2 4.1Å; L384-L475 HydrophobicContact CD2-CG 3.97Å; L418-L475 HydrophobicContact CD2-CD1 4.48Å; V421-L475 HydrophobicContact CG1-CD1 4.09Å; M422-L475 HydrophobicContact CE-CD1 3.97Å; M422-L475 HydrophobicContact CE-CD2 4.12Å; M422-L475 HydrophobicContact CG-CD1 4.07Å; A471-L475 WeakPolarHBondContact O-CG 3.19Å; A471-L475 PolarHBondContact O-N 2.9Å; T472-L475 WeakPolarHBondContact O-CB 3.43Å; T472-L475 PolarHBondContact O-N 3.18Å; T472-L475 VanDerWaalsContact O-N 3.16Å; W473-L475 PolarHBondContact O-N 2.89Å; L475-Q478 PolarHBondContact O-N 3.18Å; L475-Y479 WeakPolarHBondContact O-CB 3.4Å; L475-Y479 WeakPolarHBondContact O-CD2 3.24Å; L475-Y479 PolarHBondContact O-N 3.01Å; L475-F483 HydrophobicContact CB-CE2 4.04Å; L475-F483 HydrophobicContact CB-CZ 3.71Å
476	L	97.8	Very high	97.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-48.5	174	173.5	69.5	0	0	0	110.8	T472 W473 Q478 Y479 P480 F483 F485 E487 L490	T472-L476 PolarHBondContact O-N 3.04Å; W473-L476 WeakPolarHBondContact O-CB 3.43Å; W473-L476 PolarHBondContact O-N 3.45Å; W473-L476 VanDerWaalsContact O-N 3.09Å; L476-Q478 PolarHBondContact O-N 3.46Å; L476-Y479 CarbonylContact O-C 3.58Å; L476-Y479 PolarHBondContact O-N 3.23Å; L476-P480 WeakPolarHBondContact O-CA 3.12Å; L476-P480 WeakPolarHBondContact O-CD 3.45Å; L476-F483 HydrophobicContact CB-CD2 4.34Å; L476-F483 HydrophobicContact CB-CG 4.47Å; L476-F483 HydrophobicContact CD1-CB 3.39Å; L476-F483 HydrophobicContact CD1-CD2 4.09Å; L476-F483 HydrophobicContact CD1-CG 3.85Å; L476-F485 WeakPolarHBondContact CD1-O 3.34Å; L476-E487 HydrophobicContact CD2-CB 4.47Å; L476-L490 HydrophobicContact CD2-CD1 4.42Å
477	E	97.8	Very high	97.8	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-39.3	179.7	-74.8	-61	111	0	0	112.5	W473	W473-E477 HydrophobicContact CD2-CG 3.92Å; W473-E477 HydrophobicContact CE3-CG 4.27Å; W473-E477 HydrophobicContact CH2-CG 3.9Å; W473-E477 HydrophobicContact CZ2-CG 3.51Å; W473-E477 HydrophobicContact CZ3-CG 4.25Å; W473-E477 WeakPolarHBondContact O-CG 3.45Å; W473-E477 PolarHBondContact O-N 3.16Å
478	Q	96.9	Very high	97.6	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-74.2	-29	177.5	-73.4	173.5	70.4	0	0	112.9	Q474 L475 L476	Q474-Q478 WeakPolarHBondContact O-CG 3.25Å; Q474-Q478 PolarHBondContact O-N 3.38Å; Q474-Q478 PolarHBondContact O-NE2 3.22Å; L475-Q478 PolarHBondContact O-N 3.18Å; L476-Q478 PolarHBondContact O-N 3.46Å
479	Y	96.5	Very high	97.6	Very high	135 Å²	135	42.2 Å²	42.2	53%	0.529	21%	0.211	S	C	.	.			trans	-134.1	60.8	-175	-55.2	-76.5	0	0	0	112.3	L475 L476 A481 A482	L475-Y479 WeakPolarHBondContact O-CB 3.4Å; L475-Y479 WeakPolarHBondContact O-CD2 3.24Å; L475-Y479 PolarHBondContact O-N 3.01Å; L476-Y479 CarbonylContact O-C 3.58Å; L476-Y479 PolarHBondContact O-N 3.23Å; Y479-A481 VanDerWaalsContact C-N 3.28Å; Y479-A481 PolarHBondContact O-N 2.89Å; Y479-A481 VanDerWaalsContact O-N 3.16Å; Y479-A482 VanDerWaalsContact O-CB 3.25Å; Y479-A482 WeakPolarHBondContact O-CB 3.44Å; Y479-A482 PolarHBondContact O-N 3.2Å
480	P	95.8	Very high	97.5	Very high	57 Å²	57	42.3 Å²	42.3	37%	0.37	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-61.6	-33.3	-169.9	22.1	-33.9	0	0	0	112.9	L476 A482 N556	L476-P480 WeakPolarHBondContact O-CA 3.12Å; L476-P480 WeakPolarHBondContact O-CD 3.45Å; P480-A482 PolarHBondContact O-N 2.79Å; P480-A482 VanDerWaalsContact O-N 3.17Å; P480-N556 PolarHBondContact O-ND2 3.19Å
481	A	95.9	Very high	97.4	Very high	42 Å²	42	43 Å²	43	35%	0.347	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-70.6	-10.7	179	0	0	0	0	0	114.5	Y479 F558 I560	Y479-A481 VanDerWaalsContact C-N 3.28Å; Y479-A481 PolarHBondContact O-N 2.89Å; Y479-A481 VanDerWaalsContact O-N 3.16Å; A481-F558 VanDerWaalsContact CA-O 3.31Å; A481-F558 WeakPolarHBondContact CA-O 3.37Å; A481-I560 HydrophobicContact CB-CD1 3.82Å; A481-I560 HydrophobicContact CB-CG1 4.03Å; A481-I560 PolarHBondContact O-N 2.8Å; A481-I560 VanDerWaalsContact O-N 3.12Å
482	A	96.6	Very high	97.2	Very high	27 Å²	27	43.1 Å²	43.1	22%	0.223	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-96.5	-10.6	-168.5	0	0	0	0	0	113.8	R428 Y479 P480	R428-A482 WeakPolarHBondContact CB-O 3.28Å; R428-A482 WeakPolarHBondContact CD-O 3.33Å; Y479-A482 VanDerWaalsContact O-CB 3.25Å; Y479-A482 WeakPolarHBondContact O-CB 3.44Å; Y479-A482 PolarHBondContact O-N 3.2Å; P480-A482 PolarHBondContact O-N 2.79Å; P480-A482 VanDerWaalsContact O-N 3.17Å
483	F	97.9	Very high	97.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	22%	0.223	C	C	.	.			trans	-120.6	130.1	-176.3	-69.9	-96.8	0	0	0	111.1	V421 R428 T472 L475 L476 F485 N556 Y559	V421-F483 HydrophobicContact CG1-CE1 3.64Å; V421-F483 HydrophobicContact CG1-CZ 3.81Å; R428-F483 HydrophobicContact CB-CD1 3.85Å; R428-F483 HydrophobicContact CB-CE1 4.23Å; R428-F483 HydrophobicContact CB-CG 4.29Å; R428-F483 HydrophobicContact CG-CD1 3.71Å; R428-F483 HydrophobicContact CG-CE1 3.56Å; R428-F483 HydrophobicContact CG-CG 4.34Å; R428-F483 HydrophobicContact CG-CZ 4.02Å; T472-F483 HydrophobicContact CG2-CE1 4.15Å; L475-F483 HydrophobicContact CB-CE2 4.04Å; L475-F483 HydrophobicContact CB-CZ 3.71Å; L476-F483 HydrophobicContact CB-CD2 4.34Å; L476-F483 HydrophobicContact CB-CG 4.47Å; L476-F483 HydrophobicContact CD1-CB 3.39Å; L476-F483 HydrophobicContact CD1-CD2 4.09Å; L476-F483 HydrophobicContact CD1-CG 3.85Å; F483-F485 VanDerWaalsContact C-N 3.34Å; F483-F485 AromaticContact CD1-CE1 3.88Å; F483-F485 HydrophobicContact CD1-CE1 3.88Å; F483-F485 AromaticContact CD1-CE2 3.85Å; F483-F485 HydrophobicContact CD1-CE2 3.85Å; F483-F485 AromaticContact CD1-CZ 3.39Å; F483-F485 HydrophobicContact CD1-CZ 3.39Å; F483-F485 HydrophobicContact CE1-CE2 4.48Å; F483-F485 AromaticContact CE1-CZ 3.9Å; F483-F485 HydrophobicContact CE1-CZ 3.9Å; F483-F485 HydrophobicContact CG-CZ 4.46Å; F483-N556 PolarHBondContact O-ND2 2.63Å; F483-Y559 WeakPolarHBondContact O-CB 3.47Å; F483-Y559 WeakPolarHBondContact O-CD2 3.39Å
484	E	97.9	Very high	97	Very high	47 Å²	47	40.8 Å²	40.8	22%	0.22	22%	0.215	C	C	.	.	S	Bend	trans	-72.2	-31.2	178.2	-172.8	-176.6	-164.5	0	0	112.1	R428 T429 I430 H555 N556 Y559	R428-E484 PolarHBondContact O-N 2.66Å; T429-E484 WeakPolarHBondContact CA-OE2 3.32Å; T429-E484 WeakPolarHBondContact CB-OE2 3.45Å; I430-E484 HydrophobicContact CG1-CG 4.34Å; I430-E484 PolarHBondContact N-OE2 3.43Å; E484-H555 WeakPolarHBondContact O-CA 3.44Å; E484-H555 IonicContact OE1-CE1 3.65Å; E484-H555 IonicContact OE1-ND1 2.7Å; E484-N556 PolarHBondContact O-N 2.98Å; E484-Y559 VanDerWaalsContact CA-CG 3.45Å; E484-Y559 HydrophobicContact CB-CD1 3.75Å; E484-Y559 HydrophobicContact CB-CD2 4.24Å; E484-Y559 HydrophobicContact CB-CE1 3.71Å; E484-Y559 HydrophobicContact CB-CE2 4.19Å; E484-Y559 HydrophobicContact CB-CG 4.01Å; E484-Y559 HydrophobicContact CG-CD1 3.79Å; E484-Y559 HydrophobicContact CG-CE1 3.88Å; E484-Y559 HydrophobicContact CG-CG 4.42Å; E484-Y559 VanDerWaalsContact N-CD2 3.33Å
485	F	97.8	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-92.1	151.6	-176.7	56.5	-102.2	0	0	0	112.7	I430 F433 T472 L476 F483 Y489 L490 F554 N556	I430-F485 HydrophobicContact CG1-CB 3.81Å; F433-F485 HydrophobicContact CB-CD1 4.15Å; F433-F485 HydrophobicContact CB-CE1 3.69Å; F433-F485 HydrophobicContact CD1-CE1 4.26Å; F433-F485 HydrophobicContact CD1-CZ 4.39Å; F433-F485 AromaticContact CD2-CE1 3.78Å; F433-F485 HydrophobicContact CD2-CE1 3.78Å; F433-F485 AromaticContact CD2-CZ 3.82Å; F433-F485 HydrophobicContact CD2-CZ 3.82Å; F433-F485 HydrophobicContact CE2-CE1 4.45Å; F433-F485 HydrophobicContact CE2-CZ 4.03Å; F433-F485 HydrophobicContact CG-CD1 4.38Å; F433-F485 AromaticContact CG-CE1 3.66Å; F433-F485 HydrophobicContact CG-CE1 3.66Å; F433-F485 HydrophobicContact CG-CZ 4Å; F433-F485 HydrophobicContact CZ-CZ 4.38Å; T472-F485 HydrophobicContact CG2-CE2 4.03Å; T472-F485 HydrophobicContact CG2-CZ 3.85Å; L476-F485 WeakPolarHBondContact CD1-O 3.34Å; F483-F485 VanDerWaalsContact C-N 3.34Å; F483-F485 AromaticContact CD1-CE1 3.88Å; F483-F485 HydrophobicContact CD1-CE1 3.88Å; F483-F485 AromaticContact CD1-CE2 3.85Å; F483-F485 HydrophobicContact CD1-CE2 3.85Å; F483-F485 AromaticContact CD1-CZ 3.39Å; F483-F485 HydrophobicContact CD1-CZ 3.39Å; F483-F485 HydrophobicContact CE1-CE2 4.48Å; F483-F485 AromaticContact CE1-CZ 3.9Å; F483-F485 HydrophobicContact CE1-CZ 3.9Å; F483-F485 HydrophobicContact CG-CZ 4.46Å; F485-Y489 HydrophobicContact CB-CD1 3.51Å; F485-Y489 HydrophobicContact CB-CE1 4.21Å; F485-Y489 HydrophobicContact CB-CG 3.91Å; F485-Y489 HydrophobicContact CD1-CD1 4.41Å; F485-Y489 HydrophobicContact CD1-CE1 4.48Å; F485-Y489 HydrophobicContact CD2-CD1 4.04Å; F485-Y489 AromaticContact CG-CD1 3.75Å; F485-Y489 HydrophobicContact CG-CD1 3.75Å; F485-Y489 HydrophobicContact CG-CE1 4.25Å; F485-L490 HydrophobicContact CD2-CD2 4.02Å; F485-L490 HydrophobicContact CD2-CG 4.1Å; F485-L490 HydrophobicContact CE2-CD1 4.1Å; F485-L490 HydrophobicContact CE2-CD2 3.67Å; F485-L490 HydrophobicContact CE2-CG 4.01Å; F485-L490 HydrophobicContact CZ-CD2 4.38Å; F485-F554 CarbonylContact C-O 3.57Å; F485-F554 WeakPolarHBondContact CA-O 3.4Å; F485-N556 WeakPolarHBondContact O-CB 3.48Å
486	S	96.8	Very high	96.6	Very high	15 Å²	15	40.7 Å²	40.7	11%	0.105	22%	0.216	C	C	.	.			trans	-91.5	172.8	177.6	71.1	0	0	0	0	112.6	T488 Y489 L490 L553 F554	S486-T488 PolarHBondContact O-N 2.96Å; S486-T488 WeakPolarHBondContact OG-CB 3.37Å; S486-T488 PolarHBondContact OG-N 3.06Å; S486-Y489 WeakPolarHBondContact O-CB 3.15Å; S486-Y489 PolarHBondContact O-N 3.46Å; S486-Y489 PolarHBondContact OG-N 3.44Å; S486-L490 PolarHBondContact O-N 3.42Å; S486-L553 WeakPolarHBondContact CB-O 3.39Å; S486-L553 PolarHBondContact OG-O 2.82Å; S486-F554 PolarHBondContact N-O 2.82Å; S486-F554 PolarHBondContact OG-O 2.82Å
487	E	96.1	Very high	96.5	Very high	108 Å²	108	40.5 Å²	40.5	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-32.9	168.6	63.4	176.7	-175.1	0	0	112.8	L476 Y489 L490 A491	L476-E487 HydrophobicContact CD2-CB 4.47Å; E487-Y489 VanDerWaalsContact C-N 3.27Å; E487-Y489 PolarHBondContact O-N 2.91Å; E487-L490 PolarHBondContact O-N 3.29Å; E487-L490 VanDerWaalsContact O-N 3.17Å; E487-A491 PolarHBondContact O-N 3.33Å
488	T	95.8	Very high	96.3	Very high	36 Å²	36	36.1 Å²	36.1	22%	0.221	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-38.8	179.4	-63	0	0	0	0	110.3	Y90 S486 A491 V492 L553 F554	Y90-T488 HydrophobicContact CD1-CG2 4.15Å; Y90-T488 HydrophobicContact CE1-CG2 3.9Å; S486-T488 PolarHBondContact O-N 2.96Å; S486-T488 WeakPolarHBondContact OG-CB 3.37Å; S486-T488 PolarHBondContact OG-N 3.06Å; T488-A491 PolarHBondContact O-N 3.44Å; T488-V492 HydrophobicContact CG2-CG2 4.32Å; T488-V492 WeakPolarHBondContact O-CB 3.13Å; T488-V492 VanDerWaalsContact O-CG2 3.31Å; T488-V492 WeakPolarHBondContact O-CG2 3.49Å; T488-V492 PolarHBondContact O-N 2.95Å; T488-L553 HydrophobicContact CG2-CB 4.21Å; T488-F554 HydrophobicContact CG2-CD1 4.49Å
489	Y	97.7	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175.8	177	-105.5	0	0	0	112.1	I430 F433 Q434 F485 S486 E487 L493 W542 F554	I430-Y489 HydrophobicContact CG2-CE2 4.24Å; F433-Y489 AromaticContact CD1-CE1 3.89Å; F433-Y489 HydrophobicContact CD1-CE1 3.89Å; F433-Y489 HydrophobicContact CE1-CE1 4.5Å; Q434-Y489 WeakPolarHBondContact CG-OH 3.35Å; Q434-Y489 PolarHBondContact NE2-OH 3.1Å; F485-Y489 HydrophobicContact CB-CD1 3.51Å; F485-Y489 HydrophobicContact CB-CE1 4.21Å; F485-Y489 HydrophobicContact CB-CG 3.91Å; F485-Y489 HydrophobicContact CD1-CD1 4.41Å; F485-Y489 HydrophobicContact CD1-CE1 4.48Å; F485-Y489 HydrophobicContact CD2-CD1 4.04Å; F485-Y489 AromaticContact CG-CD1 3.75Å; F485-Y489 HydrophobicContact CG-CD1 3.75Å; F485-Y489 HydrophobicContact CG-CE1 4.25Å; S486-Y489 WeakPolarHBondContact O-CB 3.15Å; S486-Y489 PolarHBondContact O-N 3.46Å; S486-Y489 PolarHBondContact OG-N 3.44Å; E487-Y489 VanDerWaalsContact C-N 3.27Å; E487-Y489 PolarHBondContact O-N 2.91Å; Y489-L493 HydrophobicContact CE1-CD2 4.45Å; Y489-L493 WeakPolarHBondContact O-CB 3.26Å; Y489-L493 PolarHBondContact O-N 3.21Å; Y489-W542 HydrophobicContact CD2-CZ2 4.46Å; Y489-W542 AromaticContact CE2-CE2 3.82Å; Y489-W542 HydrophobicContact CE2-CH2 4.5Å; Y489-W542 AromaticContact CE2-CZ2 3.62Å; Y489-W542 HydrophobicContact CE2-CZ2 3.62Å; Y489-W542 AromaticContact CE2-NE1 3.86Å; Y489-F554 HydrophobicContact CD2-CB 3.94Å; Y489-F554 HydrophobicContact CD2-CD1 4.3Å; Y489-F554 AromaticContact CD2-CD2 3.73Å; Y489-F554 HydrophobicContact CD2-CD2 3.73Å; Y489-F554 HydrophobicContact CD2-CE2 4.26Å; Y489-F554 AromaticContact CD2-CG 3.75Å; Y489-F554 HydrophobicContact CD2-CG 3.75Å; Y489-F554 HydrophobicContact CE2-CD2 4.29Å; Y489-F554 HydrophobicContact CG-CB 4.36Å; Y489-F554 HydrophobicContact CG-CG 4.47Å
490	L	98.2	Very high	95.9	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-42.8	178.5	-63.1	178.5	0	0	0	112	F433 L469 T472 W473 L476 F485 S486 E487 L493 Y494	F433-L490 HydrophobicContact CE1-CD2 3.76Å; F433-L490 HydrophobicContact CZ-CD2 3.99Å; L469-L490 HydrophobicContact CD2-CD2 4.06Å; T472-L490 HydrophobicContact CG2-CD1 4.45Å; T472-L490 HydrophobicContact CG2-CD2 4.42Å; W473-L490 HydrophobicContact CB-CD1 3.81Å; L476-L490 HydrophobicContact CD2-CD1 4.42Å; F485-L490 HydrophobicContact CD2-CD2 4.02Å; F485-L490 HydrophobicContact CD2-CG 4.1Å; F485-L490 HydrophobicContact CE2-CD1 4.1Å; F485-L490 HydrophobicContact CE2-CD2 3.67Å; F485-L490 HydrophobicContact CE2-CG 4.01Å; F485-L490 HydrophobicContact CZ-CD2 4.38Å; S486-L490 PolarHBondContact O-N 3.42Å; E487-L490 PolarHBondContact O-N 3.29Å; E487-L490 VanDerWaalsContact O-N 3.17Å; L490-L493 PolarHBondContact O-N 3.39Å; L490-Y494 PolarHBondContact O-N 2.89Å
491	A	95.3	Very high	95.7	Very high	48 Å²	48	22 Å²	22	40%	0.397	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-49.6	177.2	0	0	0	0	0	111.8	E487 T488 L493 Y494 D495	E487-A491 PolarHBondContact O-N 3.33Å; T488-A491 PolarHBondContact O-N 3.44Å; A491-L493 VanDerWaalsContact C-N 3.31Å; A491-L493 PolarHBondContact O-N 3.46Å; A491-Y494 WeakPolarHBondContact O-CB 3.5Å; A491-Y494 PolarHBondContact O-N 3.33Å; A491-Y494 VanDerWaalsContact O-N 3.11Å; A491-D495 PolarHBondContact O-N 3.5Å
492	V	95.3	Very high	95.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-38	179.1	164.3	0	0	0	0	112.1	Y90 T488 Y494 D495 S496 W542 F546 F554	Y90-V492 HydrophobicContact CE1-CG2 4.4Å; Y90-V492 HydrophobicContact CE2-CG2 3.92Å; T488-V492 HydrophobicContact CG2-CG2 4.32Å; T488-V492 WeakPolarHBondContact O-CB 3.13Å; T488-V492 VanDerWaalsContact O-CG2 3.31Å; T488-V492 WeakPolarHBondContact O-CG2 3.49Å; T488-V492 PolarHBondContact O-N 2.95Å; V492-Y494 VanDerWaalsContact C-N 3.35Å; V492-D495 PolarHBondContact O-N 2.88Å; V492-S496 PolarHBondContact O-N 3.1Å; V492-S496 PolarHBondContact O-OG 3.16Å; V492-W542 HydrophobicContact CG1-CE3 4.35Å; V492-W542 HydrophobicContact CG1-CH2 4.26Å; V492-W542 HydrophobicContact CG1-CZ3 3.66Å; V492-F546 HydrophobicContact CB-CZ 4.47Å; V492-F546 HydrophobicContact CG1-CD2 4.26Å; V492-F546 HydrophobicContact CG1-CE2 3.23Å; V492-F546 HydrophobicContact CG1-CZ 3.49Å; V492-F546 VanDerWaalsContact CG1-CZ 3.49Å; V492-F546 HydrophobicContact CG2-CZ 4.11Å; V492-F554 HydrophobicContact CB-CE1 4.23Å; V492-F554 HydrophobicContact CB-CZ 4.49Å; V492-F554 HydrophobicContact CG1-CE1 4.08Å; V492-F554 HydrophobicContact CG1-CZ 3.87Å; V492-F554 HydrophobicContact CG2-CE1 4.18Å
493	L	97.1	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174.1	174.8	61.6	0	0	0	111.8	F433 I437 F465 L469 Y489 L490 A491 S496 F505 W540 W542	F433-L493 HydrophobicContact CD1-CD2 4.33Å; F433-L493 HydrophobicContact CE1-CD2 3.87Å; I437-L493 HydrophobicContact CD1-CD2 3.48Å; I437-L493 VanDerWaalsContact CD1-CD2 3.48Å; F465-L493 HydrophobicContact CZ-CD2 4.46Å; F465-L493 HydrophobicContact CZ-CG 4.46Å; L469-L493 HydrophobicContact CD2-CD2 3.9Å; Y489-L493 HydrophobicContact CE1-CD2 4.45Å; Y489-L493 WeakPolarHBondContact O-CB 3.26Å; Y489-L493 PolarHBondContact O-N 3.21Å; L490-L493 PolarHBondContact O-N 3.39Å; A491-L493 VanDerWaalsContact C-N 3.31Å; A491-L493 PolarHBondContact O-N 3.46Å; L493-S496 WeakPolarHBondContact O-CB 3.48Å; L493-S496 PolarHBondContact O-N 3.34Å; L493-F505 HydrophobicContact CD1-CE2 3.91Å; L493-F505 HydrophobicContact CD1-CZ 3.83Å; L493-W540 HydrophobicContact CD1-CH2 4.15Å; L493-W540 HydrophobicContact CD1-CZ3 3.76Å; L493-W542 HydrophobicContact CB-CH2 4.36Å; L493-W542 HydrophobicContact CD1-CH2 4.19Å; L493-W542 HydrophobicContact CD1-CZ2 4.35Å
494	Y	96.5	Very high	95.5	Very high	35 Å²	35	19.5 Å²	19.5	14%	0.137	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-43.1	175.5	-177.3	-131.6	0	0	0	111.9	L466 L469 L490 A491 V492 S496 T497 R498	L466-Y494 HydrophobicContact CB-CD2 4.16Å; L466-Y494 HydrophobicContact CB-CE1 4.28Å; L466-Y494 HydrophobicContact CB-CE2 3.67Å; L466-Y494 HydrophobicContact CD1-CD1 3.66Å; L466-Y494 HydrophobicContact CD1-CD2 4.2Å; L466-Y494 HydrophobicContact CD1-CE1 3.61Å; L466-Y494 HydrophobicContact CD1-CE2 4.25Å; L466-Y494 HydrophobicContact CD1-CG 3.94Å; L466-Y494 HydrophobicContact CD2-CE1 3.71Å; L466-Y494 HydrophobicContact CD2-CE2 4.5Å; L466-Y494 HydrophobicContact CG-CE1 4.05Å; L466-Y494 HydrophobicContact CG-CE2 4.34Å; L469-Y494 HydrophobicContact CD1-CD2 4.4Å; L469-Y494 HydrophobicContact CD1-CG 4.4Å; L490-Y494 PolarHBondContact O-N 2.89Å; A491-Y494 WeakPolarHBondContact O-CB 3.5Å; A491-Y494 PolarHBondContact O-N 3.33Å; A491-Y494 VanDerWaalsContact O-N 3.11Å; V492-Y494 VanDerWaalsContact C-N 3.35Å; Y494-S496 PolarHBondContact O-N 2.95Å; Y494-T497 HydrophobicContact CD2-CG2 4.43Å; Y494-T497 WeakPolarHBondContact O-CB 3.33Å; Y494-T497 WeakPolarHBondContact O-CG2 3.38Å; Y494-T497 PolarHBondContact O-N 3.39Å; Y494-T497 PolarHBondContact O-OG1 3.26Å; Y494-R498 VanDerWaalsContact CD1-NH1 3.33Å; Y494-R498 VanDerWaalsContact CE1-CZ 3.49Å; Y494-R498 VanDerWaalsContact CE1-NH1 3.31Å; Y494-R498 PolarHBondContact O-NH1 3.33Å; Y494-R498 PolarHBondContact OH-NH2 3.28Å
495	D	94.4	Very high	95.5	Very high	60 Å²	60	17.5 Å²	17.5	32%	0.321	10%	0.098	S	C	.	.	H	α-helix	trans	-59	-37.6	176	-71.4	-17.8	0	0	0	112.1	A491 V492 T497 R498	A491-D495 PolarHBondContact O-N 3.5Å; V492-D495 PolarHBondContact O-N 2.88Å; D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.15Å; D495-R498 WeakPolarHBondContact O-CB 3.43Å; D495-R498 PolarHBondContact O-N 3.45Å; D495-R498 IonicContact OD1-NH1 2.76Å; D495-R498 PolarHBondContact OD1-NH1 3.27Å
496	S	95.3	Very high	95.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-23.5	177.2	-57.6	0	0	0	0	113.4	V492 L493 Y494 R498 I499 Q545	V492-S496 PolarHBondContact O-N 3.1Å; V492-S496 PolarHBondContact O-OG 3.16Å; L493-S496 WeakPolarHBondContact O-CB 3.48Å; L493-S496 PolarHBondContact O-N 3.34Å; Y494-S496 PolarHBondContact O-N 2.95Å; S496-R498 PolarHBondContact O-N 3.09Å; S496-I499 PolarHBondContact O-N 3.02Å; S496-Q545 PolarHBondContact OG-OE1 3.14Å
497	T	95.8	Very high	95.4	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.4	173	70.7	0	0	0	0	112.5	H454 F465 Y494 D495 F505	H454-T497 PolarHBondContact CE1-O 3.13Å; H454-T497 PolarHBondContact NE2-O 3.49Å; F465-T497 HydrophobicContact CD1-CG2 3.78Å; F465-T497 HydrophobicContact CE1-CG2 3.7Å; Y494-T497 HydrophobicContact CD2-CG2 4.43Å; Y494-T497 WeakPolarHBondContact O-CB 3.33Å; Y494-T497 WeakPolarHBondContact O-CG2 3.38Å; Y494-T497 PolarHBondContact O-N 3.39Å; Y494-T497 PolarHBondContact O-OG1 3.26Å; D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.15Å; T497-F505 HydrophobicContact CG2-CD2 3.78Å; T497-F505 HydrophobicContact CG2-CE2 4.07Å; T497-F505 HydrophobicContact CG2-CG 4.17Å
498	R	93.3	Very high	95.5	Very high	12 Å²	12	13 Å²	13	5%	0.045	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.5	179.5	-55.8	-177.1	-178.8	83.5	-10.7	112.8	T103 C104 K139 Y494 D495 S496 S500	T103-R498 PolarHBondContact OG1-O 2.94Å; C104-R498 HydrophobicContact CB-CB 4.23Å; C104-R498 WeakPolarHBondContact SG-CD 3.49Å; K139-R498 PolarHBondContact O-NH2 3.27Å; Y494-R498 VanDerWaalsContact CD1-NH1 3.33Å; Y494-R498 VanDerWaalsContact CE1-CZ 3.49Å; Y494-R498 VanDerWaalsContact CE1-NH1 3.31Å; Y494-R498 PolarHBondContact O-NH1 3.33Å; Y494-R498 PolarHBondContact OH-NH2 3.28Å; D495-R498 WeakPolarHBondContact O-CB 3.43Å; D495-R498 PolarHBondContact O-N 3.45Å; D495-R498 IonicContact OD1-NH1 2.76Å; D495-R498 PolarHBondContact OD1-NH1 3.27Å; S496-R498 PolarHBondContact O-N 3.09Å; R498-S500 PolarHBondContact O-N 3.29Å
499	I	94	Very high	95.5	Very high	9 Å²	9	11.9 Å²	11.9	5%	0.046	7%	0.07	C	C	.	.			trans	-89	101.8	178.1	-55.7	-179.5	0	0	0	107.6	F73 L95 P101 S496 L501 F502	F73-I499 HydrophobicContact CE2-CG2 4.12Å; F73-I499 HydrophobicContact CZ-CG2 3.93Å; L95-I499 HydrophobicContact CD1-CD1 3.9Å; L95-I499 HydrophobicContact CD1-CG1 4.12Å; P101-I499 HydrophobicContact CG-CG1 4.42Å; S496-I499 PolarHBondContact O-N 3.02Å; I499-L501 HydrophobicContact CG2-CB 3.95Å; I499-L501 PolarHBondContact O-N 2.91Å; I499-F502 HydrophobicContact CB-CD2 4.33Å; I499-F502 HydrophobicContact CB-CE2 4.3Å; I499-F502 HydrophobicContact CG2-CD2 4.26Å; I499-F502 HydrophobicContact CG2-CE2 3.99Å
500	S	90.2	Very high	95.4	Very high	4 Å²	4	12 Å²	12	3%	0.028	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	47	-177.7	56.7	0	0	0	0	113.4	T103 A177 R498	T103-S500 PolarHBondContact OG1-OG 2.67Å; A177-S500 WeakPolarHBondContact CA-O 3.4Å; A177-S500 VanDerWaalsContact CB-O 3.27Å; A177-S500 WeakPolarHBondContact CB-O 3.29Å; A177-S500 PolarHBondContact N-O 3.41Å; R498-S500 PolarHBondContact O-N 3.29Å
501	L	92.8	Very high	95.3	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-37.9	177.5	-176.5	142.4	0	0	0	111.5	L39 L94 F176 Y180 I499 P537	L39-L501 HydrophobicContact CD1-CD1 4.01Å; L94-L501 HydrophobicContact CD1-CD1 4.4Å; L94-L501 HydrophobicContact CD1-CD2 4.39Å; F176-L501 HydrophobicContact CD1-CD1 4.19Å; F176-L501 HydrophobicContact CE1-CD1 3.89Å; Y180-L501 HydrophobicContact CD1-CD1 4.39Å; Y180-L501 HydrophobicContact CD1-CG 4.38Å; Y180-L501 HydrophobicContact CD2-CD1 3.87Å; Y180-L501 HydrophobicContact CE1-CD1 4.48Å; Y180-L501 HydrophobicContact CE2-CD1 3.94Å; Y180-L501 HydrophobicContact CG-CD1 4.1Å; Y180-L501 HydrophobicContact CG-CG 4.43Å; I499-L501 HydrophobicContact CG2-CB 3.95Å; I499-L501 PolarHBondContact O-N 2.91Å; L501-P537 HydrophobicContact CD2-CB 3.94Å; L501-P537 HydrophobicContact CD2-CG 3.88Å
502	F	95	Very high	95.4	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.013	7%	0.07	C	C	.	.			trans	-86.6	128.6	-174.5	-57.8	-71	0	0	0	111.8	L94 I499 T504 P537 V539 L544 Q545	L94-F502 HydrophobicContact CD1-CE2 3.98Å; L94-F502 HydrophobicContact CD1-CZ 3.59Å; I499-F502 HydrophobicContact CB-CD2 4.33Å; I499-F502 HydrophobicContact CB-CE2 4.3Å; I499-F502 HydrophobicContact CG2-CD2 4.26Å; I499-F502 HydrophobicContact CG2-CE2 3.99Å; F502-T504 PolarHBondContact O-N 3.06Å; F502-P537 CarbonylContact C-O 3.57Å; F502-P537 VanDerWaalsContact CA-O 3.3Å; F502-P537 WeakPolarHBondContact CA-O 3.47Å; F502-P537 HydrophobicContact CD1-CB 3.91Å; F502-P537 HydrophobicContact CE1-CB 4.2Å; F502-V539 HydrophobicContact CB-CB 4.06Å; F502-V539 HydrophobicContact CD1-CB 4.34Å; F502-V539 HydrophobicContact CD2-CB 4.38Å; F502-V539 HydrophobicContact CD2-CG2 4.16Å; F502-V539 HydrophobicContact CG-CB 4Å; F502-V539 HydrophobicContact CG-CG2 4.28Å; F502-L544 HydrophobicContact CE1-CD1 4.28Å; F502-Q545 HydrophobicContact CE1-CG 4.33Å; F502-Q545 VanDerWaalsContact CE2-CD 3.42Å; F502-Q545 HydrophobicContact CE2-CG 3.92Å; F502-Q545 HydrophobicContact CZ-CG 3.37Å
503	G	94.7	Very high	95.5	Very high	7 Å²	7	15.6 Å²	15.6	7%	0.072	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17.7	177.9	0	0	0	0	0	113.8	F505 P537	G503-F505 VanDerWaalsContact C-N 3.35Å; G503-F505 PolarHBondContact O-N 2.8Å; G503-P537 PolarHBondContact N-O 3.48Å
504	T	96.6	Very high	95.3	Very high	10 Å²	10	17.5 Å²	17.5	6%	0.061	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-58.4	-41.6	-177.3	-50.6	0	0	0	0	112.9	V442 F502 S538 V539 W540	V442-T504 WeakPolarHBondContact CG1-O 3.42Å; V442-T504 HydrophobicContact CG2-CG2 3.67Å; V442-T504 WeakPolarHBondContact CG2-O 3.27Å; F502-T504 PolarHBondContact O-N 3.06Å; T504-S538 PolarHBondContact OG1-OG 3.44Å; T504-V539 HydrophobicContact CG2-CG1 3.67Å; T504-V539 PolarHBondContact OG1-N 2.91Å; T504-V539 VanDerWaalsContact OG1-N 3.1Å; T504-W540 HydrophobicContact CG2-CZ2 3.82Å
505	F	96.9	Very high	95.3	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.022	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-118.5	19.9	-175.1	-54.1	-45.7	0	0	0	113.3	I437 V442 F448 F465 L493 T497 G503 V539 W540	I437-F505 HydrophobicContact CG2-CE1 3.91Å; I437-F505 HydrophobicContact CG2-CZ 4.21Å; V442-F505 HydrophobicContact CG2-CD1 4.36Å; V442-F505 HydrophobicContact CG2-CE1 4.17Å; F448-F505 HydrophobicContact CB-CB 4.46Å; F448-F505 VanDerWaalsContact CB-O 3.29Å; F448-F505 WeakPolarHBondContact CB-O 3.37Å; F448-F505 HydrophobicContact CD1-CB 4.02Å; F448-F505 AromaticContact CD1-CD1 3.93Å; F448-F505 HydrophobicContact CD1-CD1 3.93Å; F448-F505 HydrophobicContact CD1-CG 4.26Å; F448-F505 HydrophobicContact CD2-CD1 4.06Å; F448-F505 HydrophobicContact CE1-CB 4.43Å; F448-F505 AromaticContact CE1-CD1 3.53Å; F448-F505 HydrophobicContact CE1-CD1 3.53Å; F448-F505 HydrophobicContact CE1-CE1 4.05Å; F448-F505 HydrophobicContact CE1-CG 4.18Å; F448-F505 AromaticContact CE2-CD1 3.67Å; F448-F505 HydrophobicContact CE2-CD1 3.67Å; F448-F505 HydrophobicContact CE2-CE1 4.18Å; F448-F505 HydrophobicContact CG-CB 4.13Å; F448-F505 HydrophobicContact CG-CD1 4.19Å; F448-F505 AromaticContact CZ-CD1 3.4Å; F448-F505 HydrophobicContact CZ-CD1 3.4Å; F448-F505 AromaticContact CZ-CE1 3.68Å; F448-F505 HydrophobicContact CZ-CE1 3.68Å; F448-F505 HydrophobicContact CZ-CG 4.44Å; F465-F505 HydrophobicContact CE1-CZ 4.47Å; F465-F505 HydrophobicContact CZ-CE1 4.4Å; F465-F505 HydrophobicContact CZ-CZ 4.27Å; L493-F505 HydrophobicContact CD1-CE2 3.91Å; L493-F505 HydrophobicContact CD1-CZ 3.83Å; T497-F505 HydrophobicContact CG2-CD2 3.78Å; T497-F505 HydrophobicContact CG2-CE2 4.07Å; T497-F505 HydrophobicContact CG2-CG 4.17Å; G503-F505 VanDerWaalsContact C-N 3.35Å; G503-F505 PolarHBondContact O-N 2.8Å; F505-V539 HydrophobicContact CE2-CB 4.29Å; F505-V539 HydrophobicContact CE2-CG1 3.82Å; F505-V539 HydrophobicContact CE2-CG2 4.13Å; F505-V539 HydrophobicContact CZ-CG1 4.03Å; F505-W540 HydrophobicContact CZ-CH2 4.04Å
506	L	96.1	Very high	95.4	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	-96.1	-18	-171.4	-166.9	64.9	0	0	0	114	L175 A177 F178 F536	L175-L506 HydrophobicContact CB-CD1 4.36Å; L175-L506 HydrophobicContact CD1-CD1 3.42Å; L175-L506 VanDerWaalsContact CD1-CD1 3.42Å; L175-L506 HydrophobicContact CD1-CG 4.34Å; A177-L506 HydrophobicContact CB-CD2 3.44Å; A177-L506 VanDerWaalsContact CB-CD2 3.44Å; F178-L506 HydrophobicContact CE2-CD2 4.3Å; L506-F536 HydrophobicContact CD2-CD1 4.49Å; L506-F536 HydrophobicContact CD2-CE1 4.37Å
507	F	97.3	Very high	95.3	Very high	13 Å²	13	19 Å²	19	6%	0.057	9%	0.093	C	C	.	.			trans	-124.7	159.6	-169.1	-55.5	-84.4	0	0	0	111.8	L172 F178 Q512 R513 Q516 F536	L172-F507 HydrophobicContact CD2-CD1 3.7Å; L172-F507 HydrophobicContact CD2-CE1 3.65Å; F178-F507 HydrophobicContact CE2-CE1 4.41Å; F178-F507 HydrophobicContact CE2-CZ 4.41Å; F178-F507 AromaticContact CZ-CE1 3.97Å; F178-F507 HydrophobicContact CZ-CE1 3.97Å; F178-F507 HydrophobicContact CZ-CZ 4.1Å; F507-Q512 HydrophobicContact CD1-CG 4.5Å; F507-R513 HydrophobicContact CB-CB 4.16Å; F507-R513 VanDerWaalsContact CD1-CA 3.49Å; F507-R513 HydrophobicContact CD1-CB 3.91Å; F507-R513 HydrophobicContact CD1-CG 4.48Å; F507-R513 HydrophobicContact CD2-CB 3.6Å; F507-R513 HydrophobicContact CD2-CG 3.66Å; F507-R513 HydrophobicContact CE1-CB 4.19Å; F507-R513 HydrophobicContact CE1-CG 4.33Å; F507-R513 HydrophobicContact CE2-CB 3.91Å; F507-R513 HydrophobicContact CE2-CG 3.5Å; F507-R513 VanDerWaalsContact CE2-CG 3.5Å; F507-R513 HydrophobicContact CG-CB 3.61Å; F507-R513 HydrophobicContact CG-CG 4.17Å; F507-R513 HydrophobicContact CZ-CB 4.19Å; F507-R513 HydrophobicContact CZ-CG 3.86Å; F507-Q516 HydrophobicContact CE1-CB 4.17Å; F507-F536 HydrophobicContact CE2-CD2 4.22Å; F507-F536 HydrophobicContact CE2-CE2 4.18Å; F507-F536 HydrophobicContact CZ-CD2 4.26Å; F507-F536 HydrophobicContact CZ-CE1 4.45Å; F507-F536 AromaticContact CZ-CE2 3.76Å; F507-F536 HydrophobicContact CZ-CE2 3.76Å; F507-F536 AromaticContact CZ-CZ 3.87Å; F507-F536 HydrophobicContact CZ-CZ 3.87Å
508	N	96.9	Very high	95.2	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.07	11%	0.108	C	C	.	.	S	Bend	trans	-86.9	-15.8	175.6	-68.8	-34.1	0	0	0	114.1	G445 Q447 L449 D450	G445-N508 CarbonylContact C-O 3.47Å; G445-N508 VanDerWaalsContact O-O 3.13Å; Q447-N508 WeakPolarHBondContact CA-OD1 3.28Å; Q447-N508 HydrophobicContact CB-CB 4.2Å; Q447-N508 WeakPolarHBondContact CB-OD1 3.49Å; Q447-N508 HydrophobicContact CG-CB 4.28Å; Q447-N508 PolarHBondContact O-OD1 3.3Å; Q447-N508 VanDerWaalsContact O-OD1 3.11Å; L449-N508 VanDerWaalsContact CB-OD1 3.31Å; L449-N508 WeakPolarHBondContact CB-OD1 2.96Å; L449-N508 PolarHBondContact N-OD1 2.98Å; L449-N508 VanDerWaalsContact N-OD1 3.14Å; D450-N508 PolarHBondContact N-OD1 2.82Å; D450-N508 VanDerWaalsContact N-OD1 3.08Å; D450-N508 PolarHBondContact OD1-ND2 2.94Å; D450-N508 PolarHBondContact OD2-ND2 3.12Å
509	S	96.5	Very high	95.3	Very high	13 Å²	13	24.4 Å²	24.4	9%	0.091	12%	0.122	C	C	.	.	S	Bend	trans	-162.3	160.2	173.8	72.4	0	0	0	0	111.2	T254 H511 Q512 R513	T254-S509 PolarHBondContact O-OG 3.42Å; S509-H511 PolarHBondContact O-N 2.84Å; S509-Q512 PolarHBondContact O-N 3.13Å; S509-Q512 VanDerWaalsContact O-N 3.11Å; S509-Q512 PolarHBondContact OG-N 2.98Å; S509-Q512 VanDerWaalsContact OG-N 3.14Å; S509-R513 PolarHBondContact O-N 2.77Å; S509-R513 VanDerWaalsContact O-N 3.16Å
510	P	96.1	Very high	95.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-55.6	-37.2	171.5	-27.2	36.3	0	0	0	113	Y250 M443 R513 V514	Y250-P510 HydrophobicContact CE1-CB 4.11Å; Y250-P510 VanDerWaalsContact OH-CB 3.3Å; Y250-P510 WeakPolarHBondContact OH-CB 3.49Å; Y250-P510 PolarHBondContact OH-O 3.36Å; M443-P510 HydrophobicContact CE-CB 3.92Å; M443-P510 HydrophobicContact CE-CG 3.61Å; M443-P510 HydrophobicContact SD-CG 3.94Å; P510-R513 WeakPolarHBondContact O-CB 3.37Å; P510-R513 PolarHBondContact O-N 2.82Å; P510-V514 PolarHBondContact O-N 3.24Å; P510-V514 VanDerWaalsContact O-N 3.1Å
511	H	96.4	Very high	95.5	Very high	53 Å²	53	24.2 Å²	24.2	25%	0.245	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-47.7	174	172.3	-76.6	0	0	0	112	Y250 T254 S509 R513 V514 K515	Y250-H511 HydrophobicContact CD1-CB 3.64Å; Y250-H511 HydrophobicContact CD2-CB 4.05Å; Y250-H511 AromaticContact CD2-CD2 3.67Å; Y250-H511 HydrophobicContact CE1-CB 3.74Å; Y250-H511 HydrophobicContact CE2-CB 4.16Å; Y250-H511 HydrophobicContact CG-CB 3.79Å; Y250-H511 AromaticContact CG-CD2 3.57Å; Y250-H511 PolarHBondContact OH-N 3.3Å; T254-H511 VanDerWaalsContact O-CB 3.25Å; T254-H511 WeakPolarHBondContact O-CB 3.49Å; S509-H511 PolarHBondContact O-N 2.84Å; H511-R513 PolarHBondContact O-N 2.89Å; H511-V514 PolarHBondContact O-N 3.1Å; H511-K515 WeakPolarHBondContact O-CB 3.27Å; H511-K515 PolarHBondContact O-N 3.4Å
512	Q	96.9	Very high	95.5	Very high	43 Å²	43	30 Å²	30	20%	0.201	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-40.1	-179.6	-171	-174.2	40.1	0	0	110.6	F507 S509 K515 Q516	F507-Q512 HydrophobicContact CD1-CG 4.5Å; S509-Q512 PolarHBondContact O-N 3.13Å; S509-Q512 VanDerWaalsContact O-N 3.11Å; S509-Q512 PolarHBondContact OG-N 2.98Å; S509-Q512 VanDerWaalsContact OG-N 3.14Å; Q512-K515 PolarHBondContact O-N 3.01Å; Q512-Q516 HydrophobicContact CG-CG 4.12Å; Q512-Q516 VanDerWaalsContact O-CB 3.27Å; Q512-Q516 WeakPolarHBondContact O-CB 3.41Å; Q512-Q516 WeakPolarHBondContact O-CG 3.28Å; Q512-Q516 PolarHBondContact O-N 3.35Å
513	R	96.1	Very high	95.4	Very high	39 Å²	39	33.2 Å²	33.2	15%	0.147	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-52.4	173.6	-179.5	-179.3	68.3	-156.5	5.5	111.9	E224 F507 S509 P510 H511 Q516 S517	E224-R513 IonicContact OE1-CZ 3.13Å; E224-R513 IonicContact OE1-NH1 3.81Å; E224-R513 PolarHBondContact OE1-NH1 2.76Å; E224-R513 IonicContact OE1-NH2 3.31Å; E224-R513 PolarHBondContact OE1-NH2 3.21Å; F507-R513 HydrophobicContact CB-CB 4.16Å; F507-R513 VanDerWaalsContact CD1-CA 3.49Å; F507-R513 HydrophobicContact CD1-CB 3.91Å; F507-R513 HydrophobicContact CD1-CG 4.48Å; F507-R513 HydrophobicContact CD2-CB 3.6Å; F507-R513 HydrophobicContact CD2-CG 3.66Å; F507-R513 HydrophobicContact CE1-CB 4.19Å; F507-R513 HydrophobicContact CE1-CG 4.33Å; F507-R513 HydrophobicContact CE2-CB 3.91Å; F507-R513 HydrophobicContact CE2-CG 3.5Å; F507-R513 VanDerWaalsContact CE2-CG 3.5Å; F507-R513 HydrophobicContact CG-CB 3.61Å; F507-R513 HydrophobicContact CG-CG 4.17Å; F507-R513 HydrophobicContact CZ-CB 4.19Å; F507-R513 HydrophobicContact CZ-CG 3.86Å; S509-R513 PolarHBondContact O-N 2.77Å; S509-R513 VanDerWaalsContact O-N 3.16Å; P510-R513 WeakPolarHBondContact O-CB 3.37Å; P510-R513 PolarHBondContact O-N 2.82Å; H511-R513 PolarHBondContact O-N 2.89Å; R513-Q516 PolarHBondContact O-N 3.08Å; R513-S517 VanDerWaalsContact O-CB 3.25Å; R513-S517 WeakPolarHBondContact O-CB 3.42Å; R513-S517 PolarHBondContact O-N 3.44Å; R513-S517 PolarHBondContact O-OG 3.45Å
514	V	94.7	Very high	95.3	Very high	39 Å²	39	37 Å²	37	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-47.7	179.8	172	0	0	0	0	111.3	Y250 P510 H511 Q516 S517 T518	Y250-V514 HydrophobicContact CE2-CB 4.33Å; Y250-V514 HydrophobicContact CE2-CG2 4.13Å; P510-V514 PolarHBondContact O-N 3.24Å; P510-V514 VanDerWaalsContact O-N 3.1Å; H511-V514 PolarHBondContact O-N 3.1Å; V514-Q516 PolarHBondContact O-N 3.29Å; V514-S517 PolarHBondContact O-N 2.97Å; V514-T518 WeakPolarHBondContact O-CB 3.39Å; V514-T518 PolarHBondContact O-N 2.84Å; V514-T518 PolarHBondContact O-OG1 3.28Å
515	K	95.3	Very high	95	Very high	104 Å²	104	43.4 Å²	43.4	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-56.7	-52.4	178.8	178.5	178.2	173.7	179.6	0	111.6	H511 Q512 S517 T518 E519	H511-K515 WeakPolarHBondContact O-CB 3.27Å; H511-K515 PolarHBondContact O-N 3.4Å; Q512-K515 PolarHBondContact O-N 3.01Å; K515-S517 VanDerWaalsContact C-N 3.34Å; K515-S517 PolarHBondContact O-N 3.35Å; K515-T518 PolarHBondContact O-N 3.46Å; K515-E519 WeakPolarHBondContact CE-OE1 3.4Å; K515-E519 IonicContact NZ-OE1 3.96Å; K515-E519 WeakPolarHBondContact O-CG 3.44Å; K515-E519 PolarHBondContact O-N 2.94Å
516	Q	95.9	Very high	94.7	Very high	23 Å²	23	44 Å²	44	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-34.6	-176.1	-69.7	-72.7	-35.3	0	0	112.2	L172 Q173 F178 F507 Q512 R513 V514 T518 E519 F520	L172-Q516 HydrophobicContact CD2-CB 4.07Å; L172-Q516 HydrophobicContact CD2-CG 3.66Å; Q173-Q516 VanDerWaalsContact NE2-OE1 3.15Å; F178-Q516 HydrophobicContact CE1-CB 4.39Å; F178-Q516 HydrophobicContact CZ-CB 4.04Å; F507-Q516 HydrophobicContact CE1-CB 4.17Å; Q512-Q516 HydrophobicContact CG-CG 4.12Å; Q512-Q516 VanDerWaalsContact O-CB 3.27Å; Q512-Q516 WeakPolarHBondContact O-CB 3.41Å; Q512-Q516 WeakPolarHBondContact O-CG 3.28Å; Q512-Q516 PolarHBondContact O-N 3.35Å; R513-Q516 PolarHBondContact O-N 3.08Å; V514-Q516 PolarHBondContact O-N 3.29Å; Q516-T518 VanDerWaalsContact C-N 3.35Å; Q516-E519 PolarHBondContact NE2-OE2 2.96Å; Q516-F520 WeakPolarHBondContact O-CB 3.32Å; Q516-F520 PolarHBondContact O-N 2.62Å
517	S	94.3	Very high	94.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-44.9	171.9	-59.4	0	0	0	0	112.1	R513 V514 K515 A521 F536	R513-S517 VanDerWaalsContact O-CB 3.25Å; R513-S517 WeakPolarHBondContact O-CB 3.42Å; R513-S517 PolarHBondContact O-N 3.44Å; R513-S517 PolarHBondContact O-OG 3.45Å; V514-S517 PolarHBondContact O-N 2.97Å; K515-S517 VanDerWaalsContact C-N 3.34Å; K515-S517 PolarHBondContact O-N 3.35Å; S517-A521 VanDerWaalsContact O-CB 3.31Å; S517-A521 WeakPolarHBondContact O-CB 3.49Å; S517-A521 PolarHBondContact O-N 3.41Å; S517-F536 WeakPolarHBondContact OG-CE2 3.35Å
518	T	93.5	Very high	93.6	Very high	54 Å²	54	53.7 Å²	53.7	33%	0.331	27%	0.272	S	S	.	.	H	α-helix	trans	-67.3	-47.3	-179.2	-54.5	0	0	0	0	110.7	V514 K515 Q516 F520 A521 I522	V514-T518 WeakPolarHBondContact O-CB 3.39Å; V514-T518 PolarHBondContact O-N 2.84Å; V514-T518 PolarHBondContact O-OG1 3.28Å; K515-T518 PolarHBondContact O-N 3.46Å; Q516-T518 VanDerWaalsContact C-N 3.35Å; T518-F520 VanDerWaalsContact C-N 3.34Å; T518-F520 PolarHBondContact O-N 3.09Å; T518-A521 PolarHBondContact O-N 3.4Å; T518-I522 HydrophobicContact CG2-CD1 3.98Å; T518-I522 VanDerWaalsContact O-CG1 3.28Å; T518-I522 WeakPolarHBondContact O-CG1 3.4Å; T518-I522 PolarHBondContact O-N 3.25Å
519	E	94.8	Very high	92.9	Very high	75 Å²	75	56.6 Å²	56.6	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-43.2	177.3	-73.2	171.6	172.6	0	0	111.9	K515 Q516 S523	K515-E519 WeakPolarHBondContact CE-OE1 3.4Å; K515-E519 IonicContact NZ-OE1 3.96Å; K515-E519 WeakPolarHBondContact O-CG 3.44Å; K515-E519 PolarHBondContact O-N 2.94Å; Q516-E519 PolarHBondContact NE2-OE2 2.96Å; E519-S523 PolarHBondContact O-N 2.93Å
520	F	94.9	Very high	91.9	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-42	176.3	-175.1	-92.4	0	0	0	112.7	Q173 F178 Q516 T518 I522 S523 K524 I526 L534	Q173-F520 HydrophobicContact CB-CD2 4.01Å; Q173-F520 HydrophobicContact CG-CB 4.4Å; Q173-F520 HydrophobicContact CG-CD2 4.19Å; F178-F520 HydrophobicContact CB-CD2 4.04Å; F178-F520 HydrophobicContact CB-CE1 4.33Å; F178-F520 HydrophobicContact CB-CE2 3.67Å; F178-F520 HydrophobicContact CB-CZ 3.81Å; F178-F520 HydrophobicContact CD1-CB 3.76Å; F178-F520 HydrophobicContact CD1-CD1 4.03Å; F178-F520 AromaticContact CD1-CD2 3.65Å; F178-F520 HydrophobicContact CD1-CD2 3.65Å; F178-F520 HydrophobicContact CD1-CE1 4.49Å; F178-F520 HydrophobicContact CD1-CE2 4.17Å; F178-F520 AromaticContact CD1-CG 3.54Å; F178-F520 HydrophobicContact CD1-CG 3.54Å; F178-F520 HydrophobicContact CE1-CB 3.94Å; F178-F520 HydrophobicContact CE1-CG 4.24Å; F178-F520 HydrophobicContact CG-CD2 4.19Å; F178-F520 HydrophobicContact CG-CE2 4.32Å; F178-F520 HydrophobicContact CG-CG 4.45Å; F178-F520 WeakPolarHBondContact O-CE1 3.39Å; F178-F520 WeakPolarHBondContact O-CZ 3.28Å; Q516-F520 WeakPolarHBondContact O-CB 3.32Å; Q516-F520 PolarHBondContact O-N 2.62Å; T518-F520 VanDerWaalsContact C-N 3.34Å; T518-F520 PolarHBondContact O-N 3.09Å; F520-I522 VanDerWaalsContact C-N 3.3Å; F520-I522 PolarHBondContact O-N 2.94Å; F520-S523 PolarHBondContact O-N 3.25Å; F520-S523 PolarHBondContact O-OG 3.12Å; F520-K524 HydrophobicContact CD1-CG 4.07Å; F520-K524 HydrophobicContact CD2-CG 4.33Å; F520-K524 HydrophobicContact CE1-CB 4.43Å; F520-K524 HydrophobicContact CE1-CG 3.72Å; F520-K524 HydrophobicContact CE2-CG 3.99Å; F520-K524 HydrophobicContact CG-CG 4.4Å; F520-K524 HydrophobicContact CZ-CD 4.32Å; F520-K524 HydrophobicContact CZ-CG 3.69Å; F520-K524 WeakPolarHBondContact O-CB 3.42Å; F520-K524 WeakPolarHBondContact O-CG 3.3Å; F520-K524 PolarHBondContact O-N 2.82Å; F520-I526 HydrophobicContact CD1-CD1 4.22Å; F520-I526 HydrophobicContact CE1-CD1 4.03Å; F520-L534 HydrophobicContact CB-CD1 4.13Å; F520-L534 HydrophobicContact CD1-CD1 3.55Å; F520-L534 HydrophobicContact CE1-CD1 4.33Å; F520-L534 HydrophobicContact CG-CD1 4.18Å
521	A	93.3	Very high	91.1	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-41.8	178	0	0	0	0	0	111.5	S517 T518 K524 N525 I526 L528 L534	S517-A521 VanDerWaalsContact O-CB 3.31Å; S517-A521 WeakPolarHBondContact O-CB 3.49Å; S517-A521 PolarHBondContact O-N 3.41Å; T518-A521 PolarHBondContact O-N 3.4Å; A521-K524 PolarHBondContact O-N 2.72Å; A521-N525 PolarHBondContact O-N 3.15Å; A521-I526 HydrophobicContact CB-CB 4.1Å; A521-I526 PolarHBondContact O-N 3.16Å; A521-L528 HydrophobicContact CB-CD1 3.71Å; A521-L528 HydrophobicContact CB-CD2 4.09Å; A521-L528 HydrophobicContact CB-CG 3.91Å; A521-L534 HydrophobicContact CB-CD2 4.41Å
522	I	92.4	Very high	90	Very high	121 Å²	121	70.8 Å²	70.8	62%	0.621	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-48.8	173.8	-67.2	165.8	0	0	0	110.4	T518 F520 K524 N525	T518-I522 HydrophobicContact CG2-CD1 3.98Å; T518-I522 VanDerWaalsContact O-CG1 3.28Å; T518-I522 WeakPolarHBondContact O-CG1 3.4Å; T518-I522 PolarHBondContact O-N 3.25Å; F520-I522 VanDerWaalsContact C-N 3.3Å; F520-I522 PolarHBondContact O-N 2.94Å; I522-K524 PolarHBondContact O-N 2.82Å; I522-N525 PolarHBondContact O-N 2.87Å
523	S	93.7	Very high	89.5	Confident	71 Å²	71	69.3 Å²	69.3	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-26.9	-176.5	76.3	0	0	0	0	113.6	E519 F520	E519-S523 PolarHBondContact O-N 2.93Å; F520-S523 PolarHBondContact O-N 3.25Å; F520-S523 PolarHBondContact O-OG 3.12Å
524	K	92.4	Very high	89.3	Confident	86 Å²	86	67.9 Å²	67.9	37%	0.374	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5	178.8	-61.8	-66.9	-176.2	161.2	0	114.2	E179 F520 A521 I522 I526	E179-K524 IonicContact OE2-NZ 3.31Å; F520-K524 HydrophobicContact CD1-CG 4.07Å; F520-K524 HydrophobicContact CD2-CG 4.33Å; F520-K524 HydrophobicContact CE1-CB 4.43Å; F520-K524 HydrophobicContact CE1-CG 3.72Å; F520-K524 HydrophobicContact CE2-CG 3.99Å; F520-K524 HydrophobicContact CG-CG 4.4Å; F520-K524 HydrophobicContact CZ-CD 4.32Å; F520-K524 HydrophobicContact CZ-CG 3.69Å; F520-K524 WeakPolarHBondContact O-CB 3.42Å; F520-K524 WeakPolarHBondContact O-CG 3.3Å; F520-K524 PolarHBondContact O-N 2.82Å; A521-K524 PolarHBondContact O-N 2.72Å; I522-K524 PolarHBondContact O-N 2.82Å; K524-I526 VanDerWaalsContact C-N 3.25Å; K524-I526 HydrophobicContact CB-CD1 3.87Å; K524-I526 HydrophobicContact CB-CG1 3.91Å; K524-I526 PolarHBondContact O-N 2.93Å
525	N	90.9	Very high	89	Confident	145 Å²	145	71.9 Å²	71.9	78%	0.775	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	40.7	-174.9	-61.8	-57.6	0	0	0	113.3	A521 I522	A521-N525 PolarHBondContact O-N 3.15Å; I522-N525 PolarHBondContact O-N 2.87Å
526	I	91.3	Very high	88.9	Confident	17 Å²	17	68.2 Å²	68.2	9%	0.087	36%	0.363	C	S	.	.			trans	-84	126.2	176.4	-65.9	170	0	0	0	109.1	Y185 F520 A521 K524 L528 L534	Y185-I526 HydrophobicContact CD1-CG2 3.82Å; Y185-I526 HydrophobicContact CD2-CG2 4.35Å; Y185-I526 HydrophobicContact CG-CG2 3.71Å; F520-I526 HydrophobicContact CD1-CD1 4.22Å; F520-I526 HydrophobicContact CE1-CD1 4.03Å; A521-I526 HydrophobicContact CB-CB 4.1Å; A521-I526 PolarHBondContact O-N 3.16Å; K524-I526 VanDerWaalsContact C-N 3.25Å; K524-I526 HydrophobicContact CB-CD1 3.87Å; K524-I526 HydrophobicContact CB-CG1 3.91Å; K524-I526 PolarHBondContact O-N 2.93Å; I526-L528 HydrophobicContact CG2-CD2 4.13Å; I526-L534 HydrophobicContact CD1-CD2 4.16Å; I526-L534 HydrophobicContact CG2-CD2 4.32Å
527	Q	86.9	Confident	88.8	Confident	185 Å²	185	68.2 Å²	68.2	86%	0.864	37%	0.365	S	S	*	.			trans	-84.8	113.8	172.7	-62.3	-170	11.4	0	0	109.9
528	L	82.2	Confident	88.8	Confident	35 Å²	35	69.6 Å²	69.6	18%	0.183	38%	0.375	C	S	.	.			trans	-84.2	-13.6	-177.4	-66.6	173.8	0	0	0	113.7	Y185 A521 I526 D530 E531 L534	Y185-L528 HydrophobicContact CE1-CD2 4.37Å; A521-L528 HydrophobicContact CB-CD1 3.71Å; A521-L528 HydrophobicContact CB-CD2 4.09Å; A521-L528 HydrophobicContact CB-CG 3.91Å; I526-L528 HydrophobicContact CG2-CD2 4.13Å; L528-D530 PolarHBondContact O-N 3.14Å; L528-E531 VanDerWaalsContact O-CB 3.29Å; L528-E531 WeakPolarHBondContact O-CB 3.33Å; L528-E531 WeakPolarHBondContact O-CG 3.34Å; L528-E531 PolarHBondContact O-N 3.41Å; L528-E531 VanDerWaalsContact O-N 3.1Å; L528-L534 HydrophobicContact CD2-CD2 3.9Å; L528-L534 HydrophobicContact CD2-CG 4.46Å
529	G	82.1	Confident	88.9	Confident	73 Å²	73	67 Å²	67	75%	0.753	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-131	-173	0	0	0	0	0	111.4	E531	G529-E531 PolarHBondContact O-N 3.37Å
530	D	76.6	Confident	89	Confident	179 Å²	179	64.5 Å²	64.5	96%	0.957	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.1	177.8	-61.9	-36.2	0	0	0	113.7	L528	L528-D530 PolarHBondContact O-N 3.14Å
531	E	79.6	Confident	89	Confident	59 Å²	59	67.5 Å²	67.5	28%	0.276	36%	0.363	S	S	.	.			trans	-78.1	134.8	-177.8	-58.1	-171.4	165.9	0	0	111.9	Y185 L528 G529 G533 K535	Y185-E531 PolarHBondContact OH-OE2 3.22Å; L528-E531 VanDerWaalsContact O-CB 3.29Å; L528-E531 WeakPolarHBondContact O-CB 3.33Å; L528-E531 WeakPolarHBondContact O-CG 3.34Å; L528-E531 PolarHBondContact O-N 3.41Å; L528-E531 VanDerWaalsContact O-N 3.1Å; G529-E531 PolarHBondContact O-N 3.37Å; E531-G533 PolarHBondContact O-N 3.14Å; E531-K535 VanDerWaalsContact OE1-CD 3.27Å; E531-K535 WeakPolarHBondContact OE1-CD 3.31Å; E531-K535 WeakPolarHBondContact OE1-CE 3.15Å; E531-K535 IonicContact OE1-NZ 2.64Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å
532	K	72.8	Confident	89.1	Confident	127 Å²	127	68.1 Å²	68.1	55%	0.552	36%	0.364	S	S	*	.	S	Bend	trans	-66.8	-1.8	175	-70.1	-171.8	172.5	-171.1	0	114	E258	E258-K532 IonicContact OE1-NZ 2.62Å; E258-K532 PolarHBondContact OE1-NZ 2.83Å; E258-K532 IonicContact OE2-NZ 3.29Å; E258-K532 PolarHBondContact OE2-NZ 3.34Å
533	G	86.3	Confident	89.2	Confident	12 Å²	12	65.2 Å²	65.2	12%	0.124	36%	0.355	C	S	.	.	S	Bend	trans	160.2	177.9	-176.6	0	0	0	0	0	112.2	E531	E531-G533 PolarHBondContact O-N 3.14Å
534	L	90.4	Very high	89.1	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.052	34%	0.343	C	S	.	.			trans	-57.7	134.9	175.1	-61.3	171.8	0	0	0	111.8	F178 V181 Y185 F520 A521 I526 L528 F536	F178-L534 HydrophobicContact CD1-CD1 4.19Å; F178-L534 HydrophobicContact CE1-CD1 4.44Å; V181-L534 HydrophobicContact CG1-CB 4.01Å; V181-L534 HydrophobicContact CG1-CD2 4.29Å; Y185-L534 HydrophobicContact CD2-CD2 3.99Å; Y185-L534 HydrophobicContact CE2-CD2 3.75Å; F520-L534 HydrophobicContact CB-CD1 4.13Å; F520-L534 HydrophobicContact CD1-CD1 3.55Å; F520-L534 HydrophobicContact CE1-CD1 4.33Å; F520-L534 HydrophobicContact CG-CD1 4.18Å; A521-L534 HydrophobicContact CB-CD2 4.41Å; I526-L534 HydrophobicContact CD1-CD2 4.16Å; I526-L534 HydrophobicContact CG2-CD2 4.32Å; L528-L534 HydrophobicContact CD2-CD2 3.9Å; L528-L534 HydrophobicContact CD2-CG 4.46Å; L534-F536 HydrophobicContact CB-CD2 4.4Å; L534-F536 HydrophobicContact CB-CE2 3.86Å; L534-F536 HydrophobicContact CB-CZ 4.23Å; L534-F536 HydrophobicContact CD1-CE2 4.49Å; L534-F536 HydrophobicContact CD1-CZ 4.13Å; L534-F536 WeakPolarHBondContact O-CD2 3.42Å; L534-F536 PolarHBondContact O-N 3.43Å
535	K	90.3	Very high	89.2	Confident	122 Å²	122	60.2 Å²	60.2	53%	0.53	33%	0.326	S	S	.	.			trans	-87.2	92.3	174.3	-73.8	179.6	173.3	166	0	111.7	Y185 E531	Y185-K535 PolarHBondContact OH-N 2.95Å; E531-K535 VanDerWaalsContact OE1-CD 3.27Å; E531-K535 WeakPolarHBondContact OE1-CD 3.31Å; E531-K535 WeakPolarHBondContact OE1-CE 3.15Å; E531-K535 IonicContact OE1-NZ 2.64Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å
536	F	93.2	Very high	89.3	Confident	28 Å²	28	53.4 Å²	53.4	12%	0.123	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-70.2	143.6	170.4	-64.4	-86	0	0	0	111.6	A177 F178 V181 L506 F507 S517 L534	A177-F536 HydrophobicContact CB-CD1 3.87Å; A177-F536 HydrophobicContact CB-CE1 3.88Å; F178-F536 HydrophobicContact CD1-CE1 4.36Å; F178-F536 AromaticContact CD1-CZ 3.97Å; F178-F536 HydrophobicContact CD1-CZ 3.97Å; F178-F536 HydrophobicContact CD2-CE1 4.37Å; F178-F536 HydrophobicContact CE1-CE1 4.48Å; F178-F536 AromaticContact CE1-CZ 3.75Å; F178-F536 HydrophobicContact CE1-CZ 3.75Å; F178-F536 HydrophobicContact CE2-CE1 4.44Å; F178-F536 HydrophobicContact CE2-CZ 4.29Å; F178-F536 HydrophobicContact CG-CE1 4.33Å; F178-F536 HydrophobicContact CG-CZ 4.36Å; F178-F536 AromaticContact CZ-CZ 3.93Å; F178-F536 HydrophobicContact CZ-CZ 3.93Å; V181-F536 HydrophobicContact CG2-CD1 3.68Å; V181-F536 HydrophobicContact CG2-CE1 4.13Å; V181-F536 HydrophobicContact CG2-CG 4.26Å; L506-F536 HydrophobicContact CD2-CD1 4.49Å; L506-F536 HydrophobicContact CD2-CE1 4.37Å; F507-F536 HydrophobicContact CE2-CD2 4.22Å; F507-F536 HydrophobicContact CE2-CE2 4.18Å; F507-F536 HydrophobicContact CZ-CD2 4.26Å; F507-F536 HydrophobicContact CZ-CE1 4.45Å; F507-F536 AromaticContact CZ-CE2 3.76Å; F507-F536 HydrophobicContact CZ-CE2 3.76Å; F507-F536 AromaticContact CZ-CZ 3.87Å; F507-F536 HydrophobicContact CZ-CZ 3.87Å; S517-F536 WeakPolarHBondContact OG-CE2 3.35Å; L534-F536 HydrophobicContact CB-CD2 4.4Å; L534-F536 HydrophobicContact CB-CE2 3.86Å; L534-F536 HydrophobicContact CB-CZ 4.23Å; L534-F536 HydrophobicContact CD1-CE2 4.49Å; L534-F536 HydrophobicContact CD1-CZ 4.13Å; L534-F536 WeakPolarHBondContact O-CD2 3.42Å; L534-F536 PolarHBondContact O-N 3.43Å
537	P	93.5	Very high	89.4	Confident	22 Å²	22	55.2 Å²	55.2	14%	0.143	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-55.9	140.7	169.8	-24	34.3	0	0	0	111.2	Y180 L501 F502 G503 L544	Y180-P537 HydrophobicContact CD1-CG 4.08Å; Y180-P537 HydrophobicContact CE1-CG 3.65Å; L501-P537 HydrophobicContact CD2-CB 3.94Å; L501-P537 HydrophobicContact CD2-CG 3.88Å; F502-P537 CarbonylContact C-O 3.57Å; F502-P537 VanDerWaalsContact CA-O 3.3Å; F502-P537 WeakPolarHBondContact CA-O 3.47Å; F502-P537 HydrophobicContact CD1-CB 3.91Å; F502-P537 HydrophobicContact CE1-CB 4.2Å; G503-P537 PolarHBondContact N-O 3.48Å; P537-L544 HydrophobicContact CB-CD1 3.95Å
538	S	94.3	Very high	89.7	Confident	32 Å²	32	49.6 Å²	49.6	22%	0.224	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-87.8	139.3	172.7	-173.6	0	0	0	0	109.8	T504 W540 D541	T504-S538 PolarHBondContact OG1-OG 3.44Å; S538-W540 PolarHBondContact O-N 3.36Å; S538-W540 PolarHBondContact OG-N 3.25Å; S538-D541 PolarHBondContact O-N 3.13Å; S538-D541 VanDerWaalsContact O-N 3.11Å
539	V	95.9	Very high	90.1	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.7	173.4	75.5	0	0	0	0	112.2	F502 T504 F505 D541 W542	F502-V539 HydrophobicContact CB-CB 4.06Å; F502-V539 HydrophobicContact CD1-CB 4.34Å; F502-V539 HydrophobicContact CD2-CB 4.38Å; F502-V539 HydrophobicContact CD2-CG2 4.16Å; F502-V539 HydrophobicContact CG-CB 4Å; F502-V539 HydrophobicContact CG-CG2 4.28Å; T504-V539 HydrophobicContact CG2-CG1 3.67Å; T504-V539 PolarHBondContact OG1-N 2.91Å; T504-V539 VanDerWaalsContact OG1-N 3.1Å; F505-V539 HydrophobicContact CE2-CB 4.29Å; F505-V539 HydrophobicContact CE2-CG1 3.82Å; F505-V539 HydrophobicContact CE2-CG2 4.13Å; F505-V539 HydrophobicContact CZ-CG1 4.03Å; V539-D541 PolarHBondContact O-N 3.25Å; V539-W542 HydrophobicContact CG2-CH2 4.1Å; V539-W542 HydrophobicContact CG2-CZ3 4.3Å
540	W	96.5	Very high	90.6	Very high	22 Å²	22	53.5 Å²	53.5	8%	0.083	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.6	179	-46.5	134.9	0	0	0	113.1	T220 Q434 I437 Q438 L493 T504 F505 S538 W542	T220-W540 HydrophobicContact CG2-CD2 4.42Å; T220-W540 HydrophobicContact CG2-CG 4Å; Q434-W540 HydrophobicContact CB-CD2 3.88Å; Q434-W540 HydrophobicContact CB-CE3 3.74Å; Q434-W540 HydrophobicContact CB-CG 4.5Å; Q434-W540 HydrophobicContact CB-CH2 4.28Å; Q434-W540 HydrophobicContact CB-CZ2 4.41Å; Q434-W540 HydrophobicContact CB-CZ3 3.95Å; Q434-W540 HydrophobicContact CG-CD2 4Å; Q434-W540 HydrophobicContact CG-CE3 3.38Å; Q434-W540 HydrophobicContact CG-CH2 4.41Å; Q434-W540 HydrophobicContact CG-CZ3 3.63Å; I437-W540 HydrophobicContact CB-CH2 3.9Å; I437-W540 HydrophobicContact CB-CZ2 4.2Å; I437-W540 HydrophobicContact CD1-CH2 4.23Å; I437-W540 HydrophobicContact CG2-CH2 3.78Å; I437-W540 HydrophobicContact CG2-CZ2 4.04Å; Q438-W540 HydrophobicContact CB-CZ2 4.29Å; L493-W540 HydrophobicContact CD1-CH2 4.15Å; L493-W540 HydrophobicContact CD1-CZ3 3.76Å; T504-W540 HydrophobicContact CG2-CZ2 3.82Å; F505-W540 HydrophobicContact CZ-CH2 4.04Å; S538-W540 PolarHBondContact O-N 3.36Å; S538-W540 PolarHBondContact OG-N 3.25Å; W540-W542 HydrophobicContact CE3-CZ2 4.27Å; W540-W542 HydrophobicContact CZ3-CZ2 4.42Å; W540-W542 PolarHBondContact O-N 3.43Å
541	D	94.7	Very high	91.4	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.364	25%	0.25	S	S	.	.			trans	-80.3	73	168.2	-170.7	-0.1	0	0	0	110.4	S538 V539 S543 L544	S538-D541 PolarHBondContact O-N 3.13Å; S538-D541 VanDerWaalsContact O-N 3.11Å; V539-D541 PolarHBondContact O-N 3.25Å; D541-S543 PolarHBondContact O-N 3.32Å; D541-S543 WeakPolarHBondContact OD1-CB 3.31Å; D541-S543 PolarHBondContact OD1-N 3.07Å; D541-S543 PolarHBondContact OD1-OG 3.35Å; D541-L544 HydrophobicContact CB-CD1 4.01Å; D541-L544 HydrophobicContact CB-CG 4.23Å; D541-L544 WeakPolarHBondContact O-CB 3.44Å; D541-L544 PolarHBondContact O-N 2.91Å; D541-L544 WeakPolarHBondContact OD2-CG 3.23Å
542	W	94.8	Very high	92.1	Very high	17 Å²	17	50 Å²	50	6%	0.064	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.9	-15.4	179	-64	112.7	0	0	0	113.4	Y489 V492 L493 V539 W540 L544 Q545 F546 R551 F554	Y489-W542 HydrophobicContact CD2-CZ2 4.46Å; Y489-W542 AromaticContact CE2-CE2 3.82Å; Y489-W542 HydrophobicContact CE2-CH2 4.5Å; Y489-W542 AromaticContact CE2-CZ2 3.62Å; Y489-W542 HydrophobicContact CE2-CZ2 3.62Å; Y489-W542 AromaticContact CE2-NE1 3.86Å; V492-W542 HydrophobicContact CG1-CE3 4.35Å; V492-W542 HydrophobicContact CG1-CH2 4.26Å; V492-W542 HydrophobicContact CG1-CZ3 3.66Å; L493-W542 HydrophobicContact CB-CH2 4.36Å; L493-W542 HydrophobicContact CD1-CH2 4.19Å; L493-W542 HydrophobicContact CD1-CZ2 4.35Å; V539-W542 HydrophobicContact CG2-CH2 4.1Å; V539-W542 HydrophobicContact CG2-CZ3 4.3Å; W540-W542 HydrophobicContact CE3-CZ2 4.27Å; W540-W542 HydrophobicContact CZ3-CZ2 4.42Å; W540-W542 PolarHBondContact O-N 3.43Å; W542-L544 PolarHBondContact O-N 2.79Å; W542-Q545 PolarHBondContact O-N 3.21Å; W542-Q545 VanDerWaalsContact O-N 3.14Å; W542-F546 HydrophobicContact CE3-CD2 4.17Å; W542-F546 HydrophobicContact CE3-CE2 4.15Å; W542-F546 HydrophobicContact CZ3-CE2 4.32Å; W542-F546 PolarHBondContact O-N 3.21Å; W542-R551 HydrophobicContact CB-CG 4.29Å; W542-F554 HydrophobicContact CB-CE2 4.06Å; W542-F554 AromaticContact CD2-CE2 3.67Å; W542-F554 HydrophobicContact CD2-CE2 3.67Å; W542-F554 HydrophobicContact CD2-CZ 4.32Å; W542-F554 AromaticContact CE3-CE2 3.89Å; W542-F554 HydrophobicContact CE3-CE2 3.89Å; W542-F554 HydrophobicContact CE3-CZ 4.07Å; W542-F554 HydrophobicContact CG-CD2 4.49Å; W542-F554 AromaticContact CG-CE2 3.74Å; W542-F554 HydrophobicContact CG-CE2 3.74Å
543	S	94.2	Very high	93.1	Very high	60 Å²	60	46.9 Å²	46.9	42%	0.42	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-70	-22.3	176.4	80.7	0	0	0	0	113.8	D541 Q545 R551	D541-S543 PolarHBondContact O-N 3.32Å; D541-S543 WeakPolarHBondContact OD1-CB 3.31Å; D541-S543 PolarHBondContact OD1-N 3.07Å; D541-S543 PolarHBondContact OD1-OG 3.35Å; S543-Q545 VanDerWaalsContact C-N 3.27Å; S543-R551 VanDerWaalsContact CA-NH1 3.29Å
544	L	92.6	Very high	93.6	Very high	50 Å²	50	46.7 Å²	46.7	26%	0.262	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-71.9	-24.3	170.9	-63.4	175.3	0	0	0	112.6	L94 F502 P537 D541 W542	L94-L544 WeakPolarHBondContact CD2-O 3.36Å; L94-L544 WeakPolarHBondContact CG-O 3.46Å; F502-L544 HydrophobicContact CE1-CD1 4.28Å; P537-L544 HydrophobicContact CB-CD1 3.95Å; D541-L544 HydrophobicContact CB-CD1 4.01Å; D541-L544 HydrophobicContact CB-CG 4.23Å; D541-L544 WeakPolarHBondContact O-CB 3.44Å; D541-L544 PolarHBondContact O-N 2.91Å; D541-L544 WeakPolarHBondContact OD2-CG 3.23Å; W542-L544 PolarHBondContact O-N 2.79Å
545	Q	93.2	Very high	93.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-33.7	-172.4	-61.6	-166.7	73.9	0	0	113.1	N92 L93 L94 S496 F502 W542 S543	N92-Q545 CarbonylContact C-O 3.6Å; N92-Q545 WeakPolarHBondContact CA-O 3.45Å; L93-Q545 PolarHBondContact N-O 3.08Å; L94-Q545 HydrophobicContact CD1-CG 4.01Å; S496-Q545 PolarHBondContact OG-OE1 3.14Å; F502-Q545 HydrophobicContact CE1-CG 4.33Å; F502-Q545 VanDerWaalsContact CE2-CD 3.42Å; F502-Q545 HydrophobicContact CE2-CG 3.92Å; F502-Q545 HydrophobicContact CZ-CG 3.37Å; W542-Q545 PolarHBondContact O-N 3.21Å; W542-Q545 VanDerWaalsContact O-N 3.14Å; S543-Q545 VanDerWaalsContact C-N 3.27Å
546	F	94.2	Very high	94.1	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.013	25%	0.245	C	C	.	.	S	Bend	trans	-143.4	147.7	-169.3	-59.9	-72.8	0	0	0	111.6	Y90 N92 V492 W542 D550 R551 F554	Y90-F546 HydrophobicContact CD2-CD1 4.08Å; Y90-F546 AromaticContact CD2-CE1 3.54Å; Y90-F546 HydrophobicContact CD2-CE1 3.54Å; Y90-F546 HydrophobicContact CD2-CZ 4.44Å; Y90-F546 AromaticContact CE2-CE1 3.82Å; Y90-F546 HydrophobicContact CE2-CE1 3.82Å; Y90-F546 HydrophobicContact CE2-CZ 4.33Å; N92-F546 HydrophobicContact CB-CE1 3.97Å; N92-F546 HydrophobicContact CB-CZ 4.47Å; V492-F546 HydrophobicContact CB-CZ 4.47Å; V492-F546 HydrophobicContact CG1-CD2 4.26Å; V492-F546 HydrophobicContact CG1-CE2 3.23Å; V492-F546 HydrophobicContact CG1-CZ 3.49Å; V492-F546 VanDerWaalsContact CG1-CZ 3.49Å; V492-F546 HydrophobicContact CG2-CZ 4.11Å; W542-F546 HydrophobicContact CE3-CD2 4.17Å; W542-F546 HydrophobicContact CE3-CE2 4.15Å; W542-F546 HydrophobicContact CZ3-CE2 4.32Å; W542-F546 PolarHBondContact O-N 3.21Å; F546-D550 HydrophobicContact CB-CB 4.07Å; F546-D550 HydrophobicContact CD1-CB 4.49Å; F546-R551 HydrophobicContact CB-CG 3.88Å; F546-R551 PolarHBondContact O-NH1 2.8Å; F546-F554 HydrophobicContact CD2-CE2 4.44Å; F546-F554 AromaticContact CD2-CZ 3.65Å; F546-F554 HydrophobicContact CD2-CZ 3.65Å; F546-F554 AromaticContact CE2-CZ 3.99Å; F546-F554 HydrophobicContact CE2-CZ 3.99Å; F546-F554 HydrophobicContact CG-CZ 4.28Å
547	T	93.1	Very high	94.1	Very high	54 Å²	54	50 Å²	50	33%	0.331	28%	0.276	S	S	.	.			trans	-65.8	162.1	174.3	71.6	0	0	0	0	111.2	L93 K549 D550 R551	L93-T547 HydrophobicContact CD2-CG2 4.02Å; T547-K549 PolarHBondContact O-N 3.09Å; T547-D550 PolarHBondContact O-N 3.28Å; T547-D550 PolarHBondContact OG1-N 2.88Å; T547-D550 VanDerWaalsContact OG1-N 3.17Å; T547-D550 PolarHBondContact OG1-OD2 2.8Å; T547-R551 WeakPolarHBondContact O-CG 3.32Å; T547-R551 PolarHBondContact O-N 2.99Å
548	A	92.4	Very high	94.1	Very high	67 Å²	67	55.8 Å²	55.8	55%	0.554	30%	0.299	S	S	*	.	H	α-helix	trans	-58	-34.6	175.8	0	0	0	0	0	112.7	T552	A548-T552 WeakPolarHBondContact O-CG2 3.37Å
549	K	91.9	Very high	94.1	Very high	171 Å²	171	57.4 Å²	57.4	74%	0.743	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-47.6	175.7	-176.1	-174.1	175.8	-172	0	111.3	T547 R551 T552	T547-K549 PolarHBondContact O-N 3.09Å; K549-R551 VanDerWaalsContact C-N 3.29Å; K549-R551 PolarHBondContact O-N 3.26Å; K549-T552 WeakPolarHBondContact O-CB 3.49Å; K549-T552 WeakPolarHBondContact O-CG2 3.26Å; K549-T552 PolarHBondContact O-N 3.22Å; K549-T552 VanDerWaalsContact O-N 3.14Å; K549-T552 PolarHBondContact O-OG1 3Å
550	D	92.7	Very high	93.6	Very high	20 Å²	20	62.1 Å²	62.1	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-35.3	-179.1	-62.2	-41.5	0	0	0	111.6	Y90 F546 T547 T552 L553	Y90-D550 WeakPolarHBondContact CA-OD1 3.44Å; F546-D550 HydrophobicContact CB-CB 4.07Å; F546-D550 HydrophobicContact CD1-CB 4.49Å; T547-D550 PolarHBondContact O-N 3.28Å; T547-D550 PolarHBondContact OG1-N 2.88Å; T547-D550 VanDerWaalsContact OG1-N 3.17Å; T547-D550 PolarHBondContact OG1-OD2 2.8Å; D550-T552 PolarHBondContact O-N 2.73Å; D550-T552 VanDerWaalsContact O-N 3.15Å; D550-L553 VanDerWaalsContact O-CB 3.27Å; D550-L553 WeakPolarHBondContact O-CB 3.41Å; D550-L553 WeakPolarHBondContact O-CG 3.32Å; D550-L553 PolarHBondContact O-N 3.41Å
551	R	93.8	Very high	92.3	Very high	77 Å²	77	62.4 Å²	62.4	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-18.8	175.5	-68.1	-170.3	-50.8	-103.3	12	113.5	W542 S543 F546 T547 K549 L553 F554	W542-R551 HydrophobicContact CB-CG 4.29Å; S543-R551 VanDerWaalsContact CA-NH1 3.29Å; F546-R551 HydrophobicContact CB-CG 3.88Å; F546-R551 PolarHBondContact O-NH1 2.8Å; T547-R551 WeakPolarHBondContact O-CG 3.32Å; T547-R551 PolarHBondContact O-N 2.99Å; K549-R551 VanDerWaalsContact C-N 3.29Å; K549-R551 PolarHBondContact O-N 3.26Å; R551-L553 PolarHBondContact O-N 2.91Å; R551-F554 HydrophobicContact CB-CD2 4.44Å; R551-F554 HydrophobicContact CG-CD2 4.48Å; R551-F554 HydrophobicContact CG-CE2 4.14Å; R551-F554 WeakPolarHBondContact O-CB 3.44Å; R551-F554 PolarHBondContact O-N 3.22Å; R551-F554 VanDerWaalsContact O-N 3.14Å
552	T	94	Very high	90.7	Very high	87 Å²	87	67.5 Å²	67.5	53%	0.534	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-65.5	-24.9	173.7	72.1	0	0	0	0	112	A548 K549 D550 F554 H555	A548-T552 WeakPolarHBondContact O-CG2 3.37Å; K549-T552 WeakPolarHBondContact O-CB 3.49Å; K549-T552 WeakPolarHBondContact O-CG2 3.26Å; K549-T552 PolarHBondContact O-N 3.22Å; K549-T552 VanDerWaalsContact O-N 3.14Å; K549-T552 PolarHBondContact O-OG1 3Å; D550-T552 PolarHBondContact O-N 2.73Å; D550-T552 VanDerWaalsContact O-N 3.15Å; T552-F554 PolarHBondContact O-N 3.11Å; T552-H555 PolarHBondContact O-N 2.86Å
553	L	94.1	Very high	88.1	Confident	62 Å²	62	70.8 Å²	70.8	33%	0.325	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.4	176.6	-60.8	170.7	0	0	0	112.7	H89 Y90 S486 T488 D550 R551 H555	H89-L553 HydrophobicContact CB-CD1 4.43Å; H89-L553 WeakPolarHBondContact O-CD1 2.95Å; Y90-L553 HydrophobicContact CD1-CD1 4.22Å; S486-L553 WeakPolarHBondContact CB-O 3.39Å; S486-L553 PolarHBondContact OG-O 2.82Å; T488-L553 HydrophobicContact CG2-CB 4.21Å; D550-L553 VanDerWaalsContact O-CB 3.27Å; D550-L553 WeakPolarHBondContact O-CB 3.41Å; D550-L553 WeakPolarHBondContact O-CG 3.32Å; D550-L553 PolarHBondContact O-N 3.41Å; R551-L553 PolarHBondContact O-N 2.91Å; L553-H555 PolarHBondContact O-N 3Å
554	F	95.7	Very high	85.1	Confident	7 Å²	7	72.8 Å²	72.8	3%	0.031	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-70.4	-20.7	175.3	-64.3	-7.1	0	0	0	112.1	I430 F485 S486 T488 Y489 V492 W542 F546 R551 T552	I430-F554 HydrophobicContact CD1-CB 4.24Å; F485-F554 CarbonylContact C-O 3.57Å; F485-F554 WeakPolarHBondContact CA-O 3.4Å; S486-F554 PolarHBondContact N-O 2.82Å; S486-F554 PolarHBondContact OG-O 2.82Å; T488-F554 HydrophobicContact CG2-CD1 4.49Å; Y489-F554 HydrophobicContact CD2-CB 3.94Å; Y489-F554 HydrophobicContact CD2-CD1 4.3Å; Y489-F554 AromaticContact CD2-CD2 3.73Å; Y489-F554 HydrophobicContact CD2-CD2 3.73Å; Y489-F554 HydrophobicContact CD2-CE2 4.26Å; Y489-F554 AromaticContact CD2-CG 3.75Å; Y489-F554 HydrophobicContact CD2-CG 3.75Å; Y489-F554 HydrophobicContact CE2-CD2 4.29Å; Y489-F554 HydrophobicContact CG-CB 4.36Å; Y489-F554 HydrophobicContact CG-CG 4.47Å; V492-F554 HydrophobicContact CB-CE1 4.23Å; V492-F554 HydrophobicContact CB-CZ 4.49Å; V492-F554 HydrophobicContact CG1-CE1 4.08Å; V492-F554 HydrophobicContact CG1-CZ 3.87Å; V492-F554 HydrophobicContact CG2-CE1 4.18Å; W542-F554 HydrophobicContact CB-CE2 4.06Å; W542-F554 AromaticContact CD2-CE2 3.67Å; W542-F554 HydrophobicContact CD2-CE2 3.67Å; W542-F554 HydrophobicContact CD2-CZ 4.32Å; W542-F554 AromaticContact CE3-CE2 3.89Å; W542-F554 HydrophobicContact CE3-CE2 3.89Å; W542-F554 HydrophobicContact CE3-CZ 4.07Å; W542-F554 HydrophobicContact CG-CD2 4.49Å; W542-F554 AromaticContact CG-CE2 3.74Å; W542-F554 HydrophobicContact CG-CE2 3.74Å; F546-F554 HydrophobicContact CD2-CE2 4.44Å; F546-F554 AromaticContact CD2-CZ 3.65Å; F546-F554 HydrophobicContact CD2-CZ 3.65Å; F546-F554 AromaticContact CE2-CZ 3.99Å; F546-F554 HydrophobicContact CE2-CZ 3.99Å; F546-F554 HydrophobicContact CG-CZ 4.28Å; R551-F554 HydrophobicContact CB-CD2 4.44Å; R551-F554 HydrophobicContact CG-CD2 4.48Å; R551-F554 HydrophobicContact CG-CE2 4.14Å; R551-F554 WeakPolarHBondContact O-CB 3.44Å; R551-F554 PolarHBondContact O-N 3.22Å; R551-F554 VanDerWaalsContact O-N 3.14Å; T552-F554 PolarHBondContact O-N 3.11Å
555	H	96.1	Very high	82.4	Confident	93 Å²	93	76.8 Å²	76.8	43%	0.431	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-88	135.5	-179.4	-66.4	-87.6	0	0	0	111.1	I430 E484 T552 L553	I430-H555 WeakPolarHBondContact CD1-CE1 3.48Å; E484-H555 WeakPolarHBondContact O-CA 3.44Å; E484-H555 IonicContact OE1-CE1 3.65Å; E484-H555 IonicContact OE1-ND1 2.7Å; T552-H555 PolarHBondContact O-N 2.86Å; L553-H555 PolarHBondContact O-N 3Å
556	N	95.7	Very high	79.4	Confident	18 Å²	18	81.8 Å²	81.8	10%	0.096	45%	0.452	C	S	.	.			trans	-83.7	118.6	171.9	174.7	7	0	0	0	109.8	P480 F483 E484 F485 F558 Y559	P480-N556 PolarHBondContact O-ND2 3.19Å; F483-N556 PolarHBondContact O-ND2 2.63Å; E484-N556 PolarHBondContact O-N 2.98Å; F485-N556 WeakPolarHBondContact O-CB 3.48Å; N556-F558 PolarHBondContact O-N 2.67Å; N556-F558 VanDerWaalsContact O-N 3.16Å; N556-F558 WeakPolarHBondContact OD1-CB 3.31Å; N556-F558 WeakPolarHBondContact OD1-CD2 3.4Å; N556-F558 PolarHBondContact OD1-N 2.86Å; N556-Y559 WeakPolarHBondContact O-CB 3.38Å; N556-Y559 PolarHBondContact O-N 3.05Å
557	P	93.6	Very high	76.3	Confident	119 Å²	119	88.8 Å²	88.8	77%	0.773	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.9	-178	28.9	-36.1	0	0	0	113.6
558	F	92.6	Very high	73.5	Confident	143 Å²	143	94.9 Å²	94.9	63%	0.627	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.9	178.2	-59.9	-67.3	0	0	0	113.7	A481 N556 I560	A481-F558 VanDerWaalsContact CA-O 3.31Å; A481-F558 WeakPolarHBondContact CA-O 3.37Å; N556-F558 PolarHBondContact O-N 2.67Å; N556-F558 VanDerWaalsContact O-N 3.16Å; N556-F558 WeakPolarHBondContact OD1-CB 3.31Å; N556-F558 WeakPolarHBondContact OD1-CD2 3.4Å; N556-F558 PolarHBondContact OD1-N 2.86Å; F558-I560 WeakPolarHBondContact O-CG1 3.45Å; F558-I560 PolarHBondContact O-N 2.75Å
559	Y	94.1	Very high	70.8	Confident	66 Å²	66	98.9 Å²	98.9	26%	0.259	53%	0.525	S	S	.	.			trans	-64.3	121.3	-176.5	-178.5	-123.7	0	0	0	112.1	F483 E484 N556 G561	F483-Y559 WeakPolarHBondContact O-CB 3.47Å; F483-Y559 WeakPolarHBondContact O-CD2 3.39Å; E484-Y559 VanDerWaalsContact CA-CG 3.45Å; E484-Y559 HydrophobicContact CB-CD1 3.75Å; E484-Y559 HydrophobicContact CB-CD2 4.24Å; E484-Y559 HydrophobicContact CB-CE1 3.71Å; E484-Y559 HydrophobicContact CB-CE2 4.19Å; E484-Y559 HydrophobicContact CB-CG 4.01Å; E484-Y559 HydrophobicContact CG-CD1 3.79Å; E484-Y559 HydrophobicContact CG-CE1 3.88Å; E484-Y559 HydrophobicContact CG-CG 4.42Å; E484-Y559 VanDerWaalsContact N-CD2 3.33Å; N556-Y559 WeakPolarHBondContact O-CB 3.38Å; N556-Y559 PolarHBondContact O-N 3.05Å; Y559-G561 VanDerWaalsContact CZ-CA 3.49Å
560	I	85	Confident	68.2	Low	99 Å²	99	95.2 Å²	95.2	51%	0.508	54%	0.536	S	S	.	.			trans	-96.3	-5.9	-176.2	-63	178	0	0	0	112.2	A481 F558 S563	A481-I560 HydrophobicContact CB-CD1 3.82Å; A481-I560 HydrophobicContact CB-CG1 4.03Å; A481-I560 PolarHBondContact O-N 2.8Å; A481-I560 VanDerWaalsContact O-N 3.12Å; F558-I560 WeakPolarHBondContact O-CG1 3.45Å; F558-I560 PolarHBondContact O-N 2.75Å; I560-S563 WeakPolarHBondContact CG2-O 3.48Å; I560-S563 PolarHBondContact O-OG 3Å
561	G	71.1	Confident	65.3	Low	29 Å²	29	98.2 Å²	98.2	30%	0.299	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	61.9	-173.1	-178.5	0	0	0	0	0	113.4	Y559 S563	Y559-G561 VanDerWaalsContact CZ-CA 3.49Å; G561-S563 PolarHBondContact O-N 2.79Å
562	K	59.5	Low	62.2	Low	174 Å²	174	101.4 Å²	101.4	76%	0.757	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-1	176.9	-77.9	-175.2	175.6	-178.8	0	114.1	T564	K562-T564 VanDerWaalsContact C-N 3.33Å; K562-T564 PolarHBondContact O-N 3Å; K562-T564 VanDerWaalsContact O-N 3.14Å
563	S	40.5	Very low	59.1	Low	86 Å²	86	105.6 Å²	105.6	60%	0.601	60%	0.597	S	S	*	*	S	Bend	trans	-84.3	75	172.1	37.7	0	0	0	0	110.6	I560 G561	I560-S563 WeakPolarHBondContact CG2-O 3.48Å; I560-S563 PolarHBondContact O-OG 3Å; G561-S563 PolarHBondContact O-N 2.79Å
564	T	31	Very low	56	Low	103 Å²	103	107.2 Å²	107.2	63%	0.632	61%	0.613	S	S	*	*			trans	157.2	120.8	138.1	-59.2	0	0	0	0	109.1	K562 C566	K562-T564 VanDerWaalsContact C-N 3.33Å; K562-T564 PolarHBondContact O-N 3Å; K562-T564 VanDerWaalsContact O-N 3.14Å; T564-C566 PolarHBondContact O-N 3.35Å
565	P	36.8	Very low	52.7	Low	133 Å²	133	116.7 Å²	116.7	86%	0.864	66%	0.655	S	S	*	*			trans	-71.5	114.1	166.3	30.1	-29.3	0	0	0	108.8
566	C	29.8	Very low	49.7	Very low	107 Å²	107	121.1 Å²	121.1	72%	0.723	67%	0.673	S	S	*	*			trans	-148.4	116.6	163.6	-165.4	0	0	0	0	105.5	T564	T564-C566 PolarHBondContact O-N 3.35Å
567	I	29.3	Very low	46.5	Very low	149 Å²	149	132 Å²	132	76%	0.764	71%	0.712	S	S	*	*				-136.3	122.5	55.1	-68.3	168	0	0	0	110.5
568	Q	34.1	Very low	43.7	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	72%	0.716	S	S	*	*			trans	-67.9	128.9	157.6	-75.6	178.6	-18.2	0	0	108.9
569	N	35.7	Very low	41	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	73%	0.727	S	S	*	*	S	Bend	trans	33.9	119.6	152.6	-65.9	-13.2	0	0	0	118.2	S571	N569-S571 PolarHBondContact O-N 2.82Å
570	G	37.6	Very low	38.2	Very low	94 Å²	94	135.9 Å²	135.9	97%	0.969	75%	0.75	S	S	*	*			trans	-50.2	87.6	172.3	0	0	0	0	0	115.3
571	S	30.8	Very low	36.1	Very low	83 Å²	83	138.8 Å²	138.8	58%	0.58	77%	0.765	S	S	*	*			trans	-127.1	115.5	154.4	106.2	0	0	0	0	107.4	N569 K573	N569-S571 PolarHBondContact O-N 2.82Å; S571-K573 VanDerWaalsContact C-N 3.34Å; S571-K573 PolarHBondContact O-N 3.05Å
572	V	30.3	Very low	34.5	Very low	145 Å²	145	143.1 Å²	143.1	88%	0.879	79%	0.788	S	S	*	*			trans	-62.4	97.6	166.9	177.5	0	0	0	0	107.2	S574	V572-S574 PolarHBondContact O-N 2.95Å
573	K	28	Very low	34	Very low	175 Å²	175	138 Å²	138	76%	0.761	79%	0.785	S	S	*	*			trans	-77.7	107.3	163.1	-75.6	-170.2	179	179	0	107.1	S571 F575	S571-K573 VanDerWaalsContact C-N 3.34Å; S571-K573 PolarHBondContact O-N 3.05Å; K573-F575 PolarHBondContact O-N 3.37Å
574	S	28.9	Very low	34	Very low	95 Å²	95	144.3 Å²	144.3	66%	0.664	82%	0.82	S	S	*	*			trans	-62.1	122.8	171.1	71.9	0	0	0	0	109	V572 K576	V572-S574 PolarHBondContact O-N 2.95Å; S574-K576 PolarHBondContact O-N 2.78Å
575	F	27.4	Very low	34.1	Very low	207 Å²	207	146.4 Å²	146.4	91%	0.908	83%	0.829	S	S	*	*			trans	-71.1	96.6	168.4	-101.1	-94.7	0	0	0	108	K573 R577	K573-F575 PolarHBondContact O-N 3.37Å; F575-R577 PolarHBondContact O-N 3.38Å
576	K	32.1	Very low	34	Very low	186 Å²	186	147.1 Å²	147.1	81%	0.809	83%	0.828	S	S	*	*			trans	-73	112.2	162.5	-85.3	-173.3	177.3	179.4	0	108.3	S574 T578	S574-K576 PolarHBondContact O-N 2.78Å; K576-T578 PolarHBondContact O-N 3.25Å
577	R	29.5	Very low	34.2	Very low	246 Å²	246	149.3 Å²	149.3	93%	0.928	83%	0.833	S	S	*	*			trans	-68.1	106.7	171.8	-151.5	176.3	-173.6	176	1.5	108.4	F575 K579	F575-R577 PolarHBondContact O-N 3.38Å; R577-K579 PolarHBondContact O-N 3.09Å
578	T	33.4	Very low	34.5	Very low	137 Å²	137	149.3 Å²	149.3	84%	0.84	84%	0.837	S	S	*	*			trans	-68.6	117.8	169.5	11.1	0	0	0	0	108.7	K576 G580	K576-T578 PolarHBondContact O-N 3.25Å; T578-G580 PolarHBondContact O-N 3.27Å
579	K	35.9	Very low	34.6	Very low	201 Å²	201	147.3 Å²	147.3	87%	0.874	84%	0.837	S	S	*	*			trans	-67.3	115.1	167	-78.9	-176.5	175	-178.9	0	107.9	R577 I581	R577-K579 PolarHBondContact O-N 3.09Å; K579-I581 PolarHBondContact O-N 3.28Å
580	G	35.2	Very low	34.5	Very low	72 Å²	72	147 Å²	147	74%	0.742	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.5	164.7	0	0	0	0	0	109.4	T578	T578-G580 PolarHBondContact O-N 3.27Å
581	I	41	Very low	34.3	Very low	159 Å²	159	150.8 Å²	150.8	82%	0.815	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.9	131.9	167.6	-62.2	167.6	0	0	0	106.8	K579 G583	K579-I581 PolarHBondContact O-N 3.28Å; I581-G583 PolarHBondContact O-N 3.37Å
582	P	38.5	Very low	34.5	Very low	121 Å²	121	156 Å²	156	79%	0.786	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.4	169.6	3	12.8	0	0	0	108.8
583	G	48.3	Very low	34.9	Very low	67 Å²	67	156.9 Å²	156.9	69%	0.691	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-75.4	129.7	166.2	0	0	0	0	0	110.4	I581	I581-G583 PolarHBondContact O-N 3.37Å
584	T	40.3	Very low	35.5	Very low	217 Å²	217	155.3 Å²	155.3	100%	1.331	85%	0.854	S	S	*	*			trans	11.6	0	155.7	55.6	0	0	0	0	119.6

Retrieved 584 of 584 residues in 179.5 ms (Link to these results)

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