A0A093I5K5_STRCA Loading...

Glycerophosphoinositol inositolphosphodiesterase GDPD2

AlphaFold DB , UniProt , Accession A0A093I5K5, Species STRCA (Struthio camelus australis), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	40.7	Very low	249 Å²	249	123.9 Å²	123.9	100%	1.227	72%	0.719	S	S	*	*				0	98.4	0	-82.8	-179	-178.5	0	0	108.3
2	A	28.5	Very low	42.7	Very low	99 Å²	99	115.5 Å²	115.5	82%	0.818	67%	0.671	S	S	*	*			trans	-110.5	117.5	170.1	0	0	0	0	0	107.8	L4	A2-L4 PolarHBondContact O-N 3.41Å
3	E	32.7	Very low	44.5	Very low	159 Å²	159	110.5 Å²	110.5	74%	0.743	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-61.7	124.7	177.2	-66.5	-163	136	0	0	110.1	R9	E3-R9 IonicContact OE1-NH2 3.15Å; E3-R9 PolarHBondContact OE1-NH2 2.98Å; E3-R9 IonicContact OE2-NH2 3.01Å
4	L	31.8	Very low	46.3	Very low	131 Å²	131	107.5 Å²	107.5	69%	0.686	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-65.4	145.3	159.9	-105.8	91.9	0	0	0	108.8	A2	A2-L4 PolarHBondContact O-N 3.41Å
5	P	35.1	Very low	48.2	Very low	115 Å²	115	102.3 Å²	102.3	75%	0.747	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-58.7	142	-171.6	22.1	-31.9	0	0	0	112.9	C7	P5-C7 PolarHBondContact O-N 3.45Å
6	S	39.8	Very low	49.6	Very low	95 Å²	95	97.5 Å²	97.5	66%	0.664	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-64.4	22.7	-166.6	49.6	0	0	0	0	117.4
7	C	35	Very low	51	Low	123 Å²	123	92.4 Å²	92.4	83%	0.831	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-83.9	-13.1	-172.6	-142.5	0	0	0	0	115	P5	P5-C7 PolarHBondContact O-N 3.45Å
8	C	42.8	Very low	52.5	Low	71 Å²	71	92.8 Å²	92.8	48%	0.48	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-119	12.6	-171.4	-82.1	0	0	0	0	116.2	T12	C8-T12 HydrophobicContact CB-CG2 4.14Å; C8-T12 WeakPolarHBondContact O-CB 3.35Å; C8-T12 WeakPolarHBondContact O-CG2 3.39Å; C8-T12 PolarHBondContact O-N 3.06Å; C8-T12 PolarHBondContact O-OG1 3.25Å
9	R	52.4	Low	53.9	Low	144 Å²	144	87.9 Å²	87.9	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-41.2	-171.2	-80.1	-178	174.1	178.5	-0	115.8	E3 T12 T13	E3-R9 IonicContact OE1-NH2 3.15Å; E3-R9 PolarHBondContact OE1-NH2 2.98Å; E3-R9 IonicContact OE2-NH2 3.01Å; R9-T12 PolarHBondContact O-OG1 3.43Å; R9-T13 PolarHBondContact O-OG1 3.42Å; R9-T13 VanDerWaalsContact O-OG1 3.09Å
10	P	55.4	Low	55.1	Low	105 Å²	105	84 Å²	84	68%	0.682	49%	0.489	S	S	*	.	H	α-helix	trans	-75.2	-40.7	176.8	-8.9	23.5	0	0	0	111.9	T13 C14	P10-T13 PolarHBondContact O-N 3.04Å; P10-C14 PolarHBondContact O-N 3.25Å
11	C	60.7	Low	55.9	Low	72 Å²	72	82.8 Å²	82.8	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-44	-177.1	-170.2	0	0	0	0	112.1	T13 C14 L15	C11-T13 VanDerWaalsContact C-N 3.31Å; C11-T13 PolarHBondContact O-N 3.27Å; C11-C14 PolarHBondContact O-N 2.8Å; C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.47Å; C11-L15 PolarHBondContact O-N 2.95Å
12	T	64.3	Low	57.5	Low	23 Å²	23	76.6 Å²	76.6	14%	0.141	45%	0.447	C	S	.	.	H	α-helix	trans	-62.3	-34.9	177.7	42.5	0	0	0	0	113.8	C8 R9 L16 C113	C8-T12 HydrophobicContact CB-CG2 4.14Å; C8-T12 WeakPolarHBondContact O-CB 3.35Å; C8-T12 WeakPolarHBondContact O-CG2 3.39Å; C8-T12 PolarHBondContact O-N 3.06Å; C8-T12 PolarHBondContact O-OG1 3.25Å; R9-T12 PolarHBondContact O-OG1 3.43Å; T12-L16 WeakPolarHBondContact O-CB 3.49Å; T12-L16 PolarHBondContact O-N 3.12Å; T12-C113 HydrophobicContact CG2-CB 3.66Å; T12-C113 VanDerWaalsContact CG2-SG 3.58Å
13	T	65.8	Low	58.8	Low	50 Å²	50	82.7 Å²	82.7	31%	0.307	45%	0.449	S	S	.	.	H	α-helix	trans	-68.1	-43.5	176.8	-51	0	0	0	0	110.4	R9 P10 C11 L16 C17 A26	R9-T13 PolarHBondContact O-OG1 3.42Å; R9-T13 VanDerWaalsContact O-OG1 3.09Å; P10-T13 PolarHBondContact O-N 3.04Å; C11-T13 VanDerWaalsContact C-N 3.31Å; C11-T13 PolarHBondContact O-N 3.27Å; T13-L16 PolarHBondContact O-N 3.06Å; T13-C17 WeakPolarHBondContact O-CB 3.3Å; T13-C17 PolarHBondContact O-N 3.25Å; T13-C17 PolarHBondContact O-SG 3.17Å; T13-A26 HydrophobicContact CG2-CB 3.69Å
14	C	70.6	Confident	59.6	Low	69 Å²	69	82.8 Å²	82.8	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-46.7	176	-170.7	0	0	0	0	112.2	P10 C11 L16 C17 L18	P10-C14 PolarHBondContact O-N 3.25Å; C11-C14 PolarHBondContact O-N 2.8Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.34Å; C14-C17 WeakPolarHBondContact O-CB 3.41Å; C14-C17 PolarHBondContact O-N 2.76Å; C14-L18 WeakPolarHBondContact O-CG 3.39Å; C14-L18 PolarHBondContact O-N 3.06Å
15	L	73.8	Confident	60.4	Low	29 Å²	29	78.7 Å²	78.7	15%	0.152	44%	0.435	C	S	.	.	H	α-helix	trans	-58.3	-44.2	176.9	-68.6	169.9	0	0	0	112.1	C11 L18 Y19 L106 C109 L110	C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.47Å; C11-L15 PolarHBondContact O-N 2.95Å; L15-L18 PolarHBondContact O-N 2.83Å; L15-Y19 PolarHBondContact O-N 3.1Å; L15-Y19 VanDerWaalsContact O-N 3.11Å; L15-L106 HydrophobicContact CD2-CD2 3.43Å; L15-L106 VanDerWaalsContact CD2-CD2 3.43Å; L15-C109 HydrophobicContact CD1-CB 4.09Å; L15-L110 HydrophobicContact CB-CD2 4.02Å; L15-L110 HydrophobicContact CB-CG 4.48Å
16	L	70.6	Confident	61	Low	26 Å²	26	74 Å²	74	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-65.8	-41.2	177.4	-171.7	71.4	0	0	0	111	T12 T13 C14 L18 Y19 S20 L110	T12-L16 WeakPolarHBondContact O-CB 3.49Å; T12-L16 PolarHBondContact O-N 3.12Å; T13-L16 PolarHBondContact O-N 3.06Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.34Å; L16-L18 PolarHBondContact O-N 3.39Å; L16-Y19 PolarHBondContact O-N 2.97Å; L16-S20 VanDerWaalsContact O-CB 3.24Å; L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.21Å; L16-S20 PolarHBondContact O-OG 2.94Å; L16-L110 HydrophobicContact CB-CD2 4.15Å; L16-L110 HydrophobicContact CD1-CD2 4.16Å
17	C	74.2	Confident	61.1	Low	11 Å²	11	79 Å²	79	7%	0.074	42%	0.416	C	S	.	.	H	α-helix	trans	-62.5	-40.8	177.3	-69.3	0	0	0	0	112.3	T13 C14 C21 R22	T13-C17 WeakPolarHBondContact O-CB 3.3Å; T13-C17 PolarHBondContact O-N 3.25Å; T13-C17 PolarHBondContact O-SG 3.17Å; C14-C17 WeakPolarHBondContact O-CB 3.41Å; C14-C17 PolarHBondContact O-N 2.76Å; C17-C21 WeakPolarHBondContact O-CA 3.41Å; C17-C21 PolarHBondContact O-N 3.45Å; C17-R22 PolarHBondContact O-N 2.88Å; C17-R22 PolarHBondContact SG-O 3.31Å
18	L	78.3	Confident	61.4	Low	100 Å²	100	82 Å²	82	52%	0.524	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-42.6	177.5	-71.3	170	0	0	0	112	C14 L15 L16 L106 H123	C14-L18 WeakPolarHBondContact O-CG 3.39Å; C14-L18 PolarHBondContact O-N 3.06Å; L15-L18 PolarHBondContact O-N 2.83Å; L16-L18 PolarHBondContact O-N 3.39Å; L18-L106 HydrophobicContact CB-CD1 4.08Å; L18-L106 HydrophobicContact CD1-CD2 4.47Å; L18-H123 PolarHBondContact O-NE2 3.28Å
19	Y	79.6	Confident	61.6	Low	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-77.1	-32.6	-178.1	-166.4	-100.4	0	0	0	113.9	L15 L16 L47 L103 L106 A107 L110 L117 L119 H120 H123	L15-Y19 PolarHBondContact O-N 3.1Å; L15-Y19 VanDerWaalsContact O-N 3.11Å; L16-Y19 PolarHBondContact O-N 2.97Å; Y19-L47 HydrophobicContact CE2-CD2 4.45Å; Y19-L103 HydrophobicContact CD2-CD2 4.32Å; Y19-L103 WeakPolarHBondContact CE2-O 3.47Å; Y19-L106 HydrophobicContact CD2-CB 3.97Å; Y19-A107 HydrophobicContact CE2-CB 3.71Å; Y19-L110 HydrophobicContact CD1-CD1 3.73Å; Y19-L110 HydrophobicContact CD2-CD1 4.31Å; Y19-L110 HydrophobicContact CE1-CD1 4.49Å; Y19-L110 HydrophobicContact CG-CD1 3.61Å; Y19-L117 HydrophobicContact CE1-CB 4.34Å; Y19-L119 HydrophobicContact CD1-CD1 4.41Å; Y19-L119 HydrophobicContact CD2-CD1 4.17Å; Y19-L119 HydrophobicContact CE1-CB 3.93Å; Y19-L119 HydrophobicContact CE1-CD1 3.95Å; Y19-L119 HydrophobicContact CE2-CD1 3.68Å; Y19-H120 PolarHBondContact O-N 3.17Å; Y19-H123 PolarHBondContact O-CD2 3.16Å
20	S	76.1	Confident	61.3	Low	9 Å²	9	82.2 Å²	82.2	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-101.3	-4.4	-177.8	70.6	0	0	0	0	114.2	L16 R22 K118 H120	L16-S20 VanDerWaalsContact O-CB 3.24Å; L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.21Å; L16-S20 PolarHBondContact O-OG 2.94Å; S20-R22 PolarHBondContact O-N 3.2Å; S20-R22 VanDerWaalsContact O-N 3.14Å; S20-K118 WeakPolarHBondContact CA-O 3.3Å; S20-K118 WeakPolarHBondContact CB-O 3.27Å; S20-H120 PolarHBondContact O-CD2 3.48Å
21	C	72.1	Confident	60.6	Low	59 Å²	59	88.8 Å²	88.8	40%	0.399	42%	0.424	S	S	.	.			trans	50.6	25.2	-172.1	-52.3	0	0	0	0	114.8	C17 H120 H123	C17-C21 WeakPolarHBondContact O-CA 3.41Å; C17-C21 PolarHBondContact O-N 3.45Å; C21-H120 HydrophobicContact CB-CB 3.98Å; C21-H120 VanDerWaalsContact SG-CB 3.59Å; C21-H123 PolarHBondContact SG-NE2 2.94Å
22	R	67.2	Low	59.6	Low	118 Å²	118	93.4 Å²	93.4	45%	0.445	44%	0.436	S	S	.	.			trans	-110.3	92.6	-178.3	-73.2	178.4	178.7	-157.4	-5	111.2	C17 S20 E29	C17-R22 PolarHBondContact O-N 2.88Å; C17-R22 PolarHBondContact SG-O 3.31Å; S20-R22 PolarHBondContact O-N 3.2Å; S20-R22 VanDerWaalsContact O-N 3.14Å; R22-E29 IonicContact NH1-OE1 2.77Å; R22-E29 PolarHBondContact NH1-OE1 3.13Å
23	W	56.8	Low	58.8	Low	227 Å²	227	96.2 Å²	96.2	86%	0.86	47%	0.469	S	S	*	.	S	Bend	trans	-77.2	-24.5	178.3	-115.5	-12.5	0	0	0	114.2
24	I	49.2	Very low	58.2	Low	161 Å²	161	96.4 Å²	96.4	83%	0.826	47%	0.468	S	S	*	.	S	Bend	trans	-102.7	-24.7	-169.1	-59.6	172.2	0	0	0	112.8
25	S	47.9	Very low	57.7	Low	45 Å²	45	103.8 Å²	103.8	32%	0.315	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-87.8	-10.9	-173.9	-75.6	0	0	0	0	115.7	K27 K28 E29	S25-K27 PolarHBondContact O-N 3.03Å; S25-K27 VanDerWaalsContact O-N 3.13Å; S25-K28 PolarHBondContact O-N 2.77Å; S25-E29 PolarHBondContact O-N 3.1Å
26	A	47.9	Very low	57.1	Low	16 Å²	16	105.7 Å²	105.7	13%	0.132	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-63.8	-22.4	-176.3	0	0	0	0	0	113.7	T13	T13-A26 HydrophobicContact CG2-CB 3.69Å
27	K	42.9	Very low	57.3	Low	202 Å²	202	107.7 Å²	107.7	88%	0.878	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-77.5	-29	169.7	-92.6	-176.8	176.2	177.7	0	113.6	S25	S25-K27 PolarHBondContact O-N 3.03Å; S25-K27 VanDerWaalsContact O-N 3.13Å
28	K	41.3	Very low	57.3	Low	186 Å²	186	116.4 Å²	116.4	81%	0.809	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-32.3	-175.1	-116.3	178	-179.7	177.6	0	113.5	S25 K30	S25-K28 PolarHBondContact O-N 2.77Å; K28-K30 VanDerWaalsContact C-N 3.27Å; K28-K30 PolarHBondContact O-N 3.36Å
29	E	46.5	Very low	57.2	Low	52 Å²	52	114.9 Å²	114.9	24%	0.243	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-73.5	-13.9	179.1	-85.6	177.7	152.9	0	0	113.8	R22 S25 R31 K32	R22-E29 IonicContact NH1-OE1 2.77Å; R22-E29 PolarHBondContact NH1-OE1 3.13Å; S25-E29 PolarHBondContact O-N 3.1Å; E29-R31 PolarHBondContact O-N 2.75Å; E29-K32 PolarHBondContact O-N 2.95Å
30	K	45.2	Very low	57.2	Low	167 Å²	167	115.5 Å²	115.5	73%	0.726	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-57.9	-13.2	174.1	-86.7	-177.7	177.7	-179	0	114.9	K28	K28-K30 VanDerWaalsContact C-N 3.27Å; K28-K30 PolarHBondContact O-N 3.36Å
31	R	41.2	Very low	57.3	Low	243 Å²	243	118.5 Å²	118.5	92%	0.917	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-94.8	-7	-179	-88.9	-175.5	-177.4	172.5	1.1	116	E29	E29-R31 PolarHBondContact O-N 2.75Å
32	K	39.3	Very low	57.8	Low	169 Å²	169	119.3 Å²	119.3	74%	0.735	58%	0.575	S	S	*	*	S	Bend	trans	-124.9	120.2	172.9	-73.3	-175.2	177.6	-177.5	0	108	E29 L34	E29-K32 PolarHBondContact O-N 2.95Å; K32-L34 VanDerWaalsContact C-N 3.26Å; K32-L34 HydrophobicContact CB-CD1 4.17Å; K32-L34 WeakPolarHBondContact O-CD1 3.44Å; K32-L34 PolarHBondContact O-N 2.86Å
33	G	47.4	Very low	58.9	Low	82 Å²	82	116.2 Å²	116.2	85%	0.845	56%	0.564	S	S	*	*			trans	-57.5	88.7	175	0	0	0	0	0	110.8	R35	G33-R35 PolarHBondContact O-N 3.19Å
34	L	53.4	Low	60.3	Low	53 Å²	53	107.5 Å²	107.5	28%	0.277	53%	0.532	S	S	.	.			trans	-72.2	98.5	177.8	-106	65.1	0	0	0	107.6	K32 P116 K118	K32-L34 VanDerWaalsContact C-N 3.26Å; K32-L34 HydrophobicContact CB-CD1 4.17Å; K32-L34 WeakPolarHBondContact O-CD1 3.44Å; K32-L34 PolarHBondContact O-N 2.86Å; L34-P116 HydrophobicContact CB-CB 4.46Å; L34-P116 HydrophobicContact CB-CG 4.12Å; L34-K118 HydrophobicContact CD2-CD 3.78Å; L34-K118 VanDerWaalsContact CD2-CE 3.44Å; L34-K118 VanDerWaalsContact CG-NZ 3.34Å
35	R	60.1	Low	62.1	Low	225 Å²	225	104.8 Å²	104.8	85%	0.849	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-77.7	143.8	169	-72.4	-178.8	175.5	177.8	-1.3	109.7	G33 T37	G33-R35 PolarHBondContact O-N 3.19Å; R35-T37 PolarHBondContact O-N 3.15Å
36	T	61.5	Low	64.2	Low	69 Å²	69	106 Å²	106	42%	0.423	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-57.6	127.7	166.8	1.2	0	0	0	0	109.4	D40 L117	T36-D40 HydrophobicContact CG2-CB 4.03Å; T36-L117 HydrophobicContact CG2-CB 3.86Å; T36-L117 HydrophobicContact CG2-CG 4.21Å
37	T	74.4	Confident	66.4	Low	68 Å²	68	105.2 Å²	105.2	42%	0.417	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-87.9	163.8	176.8	67.1	0	0	0	0	110.9	R35 C39 D40 C41	R35-T37 PolarHBondContact O-N 3.15Å; T37-C39 PolarHBondContact O-N 3.36Å; T37-D40 WeakPolarHBondContact CB-OD2 3.22Å; T37-D40 PolarHBondContact N-OD2 3.01Å; T37-D40 WeakPolarHBondContact O-CB 3.45Å; T37-D40 PolarHBondContact O-N 3.25Å; T37-D40 VanDerWaalsContact O-N 3.08Å; T37-D40 PolarHBondContact OG1-N 3.18Å; T37-D40 PolarHBondContact OG1-OD2 3.25Å; T37-C41 PolarHBondContact O-N 3.12Å
38	K	74.9	Confident	68.7	Low	193 Å²	193	98.9 Å²	98.9	84%	0.839	48%	0.484	S	S	*	.	H	α-helix	trans	-55.2	-37.4	171.4	-71.3	-175.7	179.5	179.5	0	111.8	C41 S42	K38-C41 PolarHBondContact O-N 3.03Å; K38-S42 PolarHBondContact O-N 3.09Å; K38-S42 VanDerWaalsContact O-N 3.08Å; K38-S42 PolarHBondContact O-OG 3.36Å
39	C	76.9	Confident	71.2	Confident	68 Å²	68	93.1 Å²	93.1	46%	0.459	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-40.8	176.7	-173	0	0	0	0	111.9	T37 C41 S42 W43	T37-C39 PolarHBondContact O-N 3.36Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.27Å; C39-S42 WeakPolarHBondContact O-CB 3.36Å; C39-S42 PolarHBondContact O-N 2.97Å; C39-W43 VanDerWaalsContact O-CD1 3.22Å; C39-W43 PolarHBondContact O-N 3.12Å
40	D	79.2	Confident	73.6	Confident	14 Å²	14	90.8 Å²	90.8	8%	0.075	46%	0.456	C	S	.	.	H	α-helix	trans	-64.2	-38.9	177.4	-60	-42.8	0	0	0	111.7	T36 T37 W43 F44	T36-D40 HydrophobicContact CG2-CB 4.03Å; T37-D40 WeakPolarHBondContact CB-OD2 3.22Å; T37-D40 PolarHBondContact N-OD2 3.01Å; T37-D40 WeakPolarHBondContact O-CB 3.45Å; T37-D40 PolarHBondContact O-N 3.25Å; T37-D40 VanDerWaalsContact O-N 3.08Å; T37-D40 PolarHBondContact OG1-N 3.18Å; T37-D40 PolarHBondContact OG1-OD2 3.25Å; D40-W43 PolarHBondContact O-N 2.9Å; D40-F44 PolarHBondContact O-N 2.8Å
41	C	77.3	Confident	75.9	Confident	71 Å²	71	84.9 Å²	84.9	48%	0.48	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-39.4	173.5	-65.8	0	0	0	0	112.4	T37 K38 C39 W43 F44 L45	T37-C41 PolarHBondContact O-N 3.12Å; K38-C41 PolarHBondContact O-N 3.03Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.27Å; C41-W43 VanDerWaalsContact C-N 3.32Å; C41-W43 PolarHBondContact O-N 2.85Å; C41-F44 PolarHBondContact O-N 2.8Å; C41-L45 PolarHBondContact O-N 3.05Å
42	S	83.9	Confident	78.4	Confident	76 Å²	76	76.8 Å²	76.8	53%	0.531	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-39.4	174.7	-60.7	0	0	0	0	112	K38 C39 L45 F46	K38-S42 PolarHBondContact O-N 3.09Å; K38-S42 VanDerWaalsContact O-N 3.08Å; K38-S42 PolarHBondContact O-OG 3.36Å; C39-S42 WeakPolarHBondContact O-CB 3.36Å; C39-S42 PolarHBondContact O-N 2.97Å; S42-L45 PolarHBondContact O-N 3.23Å; S42-F46 WeakPolarHBondContact O-CB 2.98Å; S42-F46 PolarHBondContact O-N 3.45Å
43	W	88.6	Confident	81	Confident	54 Å²	54	72.2 Å²	72.2	21%	0.205	39%	0.385	C	S	.	.	H	α-helix	trans	-69.7	-35.7	176.3	-82.6	106.2	0	0	0	113.3	C39 D40 C41 F46 L47 L119 K124 I128	C39-W43 VanDerWaalsContact O-CD1 3.22Å; C39-W43 PolarHBondContact O-N 3.12Å; D40-W43 PolarHBondContact O-N 2.9Å; C41-W43 VanDerWaalsContact C-N 3.32Å; C41-W43 PolarHBondContact O-N 2.85Å; W43-F46 HydrophobicContact CE3-CB 4.46Å; W43-F46 AromaticContact CE3-CD1 3.76Å; W43-F46 HydrophobicContact CE3-CD1 3.76Å; W43-F46 HydrophobicContact CE3-CG 4.46Å; W43-F46 AromaticContact CZ3-CD1 3.54Å; W43-F46 HydrophobicContact CZ3-CD1 3.54Å; W43-F46 AromaticContact CZ3-CE1 3.87Å; W43-F46 HydrophobicContact CZ3-CE1 3.87Å; W43-F46 HydrophobicContact CZ3-CG 4.46Å; W43-F46 PolarHBondContact O-N 2.97Å; W43-L47 WeakPolarHBondContact O-CB 3.25Å; W43-L47 PolarHBondContact O-N 3.38Å; W43-L119 HydrophobicContact CB-CD2 4.44Å; W43-L119 HydrophobicContact CE3-CD2 4.32Å; W43-K124 VanDerWaalsContact CD1-CE 3.5Å; W43-K124 HydrophobicContact CD2-CD 3.84Å; W43-K124 HydrophobicContact CD2-CG 3.74Å; W43-K124 HydrophobicContact CE3-CB 4.17Å; W43-K124 HydrophobicContact CE3-CD 4.29Å; W43-K124 HydrophobicContact CE3-CG 3.69Å; W43-K124 HydrophobicContact CG-CD 4.33Å; W43-K124 HydrophobicContact CG-CG 4.46Å; W43-K124 HydrophobicContact CH2-CB 3.59Å; W43-K124 HydrophobicContact CH2-CD 4.14Å; W43-K124 HydrophobicContact CH2-CG 3.84Å; W43-K124 HydrophobicContact CZ2-CB 4.03Å; W43-K124 HydrophobicContact CZ2-CD 3.69Å; W43-K124 HydrophobicContact CZ2-CG 3.91Å; W43-K124 HydrophobicContact CZ3-CB 3.67Å; W43-K124 HydrophobicContact CZ3-CD 4.42Å; W43-K124 HydrophobicContact CZ3-CG 3.73Å; W43-I128 HydrophobicContact CH2-CD1 3.92Å; W43-I128 HydrophobicContact CH2-CG1 4.33Å
44	F	87.6	Confident	83.3	Confident	44 Å²	44	68.3 Å²	68.3	19%	0.193	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-45	171.4	176.2	-99.3	0	0	0	111.7	D40 C41 F46 L47 F48 L104 A107 L108 L117	D40-F44 PolarHBondContact O-N 2.8Å; C41-F44 PolarHBondContact O-N 2.8Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 2.74Å; F44-L47 WeakPolarHBondContact O-CB 3.3Å; F44-L47 PolarHBondContact O-N 2.69Å; F44-F48 PolarHBondContact O-N 3.4Å; F44-L104 HydrophobicContact CE2-CD1 3.98Å; F44-L104 HydrophobicContact CZ-CD1 4.25Å; F44-A107 HydrophobicContact CD2-CB 3.69Å; F44-A107 HydrophobicContact CE2-CB 3.6Å; F44-L108 HydrophobicContact CZ-CD2 4.21Å; F44-L117 HydrophobicContact CB-CD1 4.26Å; F44-L117 HydrophobicContact CD2-CD1 4.08Å; F44-L117 HydrophobicContact CG-CD1 4.15Å
45	L	87.3	Confident	85.2	Confident	104 Å²	104	69.6 Å²	69.6	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.9	179.9	62.6	0	0	0	111.3	C41 S42 F48 C49	C41-L45 PolarHBondContact O-N 3.05Å; S42-L45 PolarHBondContact O-N 3.23Å; L45-F48 WeakPolarHBondContact O-CB 3.1Å; L45-F48 PolarHBondContact O-N 2.91Å; L45-C49 PolarHBondContact O-N 3.43Å; L45-C49 PolarHBondContact O-SG 3.08Å
46	F	92.5	Very high	86.8	Confident	69 Å²	69	62.3 Å²	62.3	30%	0.303	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-46.1	176	-178	-110.6	0	0	0	111.9	S42 W43 F44 F48 C49 V50 L127 I128 A131	S42-F46 WeakPolarHBondContact O-CB 2.98Å; S42-F46 PolarHBondContact O-N 3.45Å; W43-F46 HydrophobicContact CE3-CB 4.46Å; W43-F46 AromaticContact CE3-CD1 3.76Å; W43-F46 HydrophobicContact CE3-CD1 3.76Å; W43-F46 HydrophobicContact CE3-CG 4.46Å; W43-F46 AromaticContact CZ3-CD1 3.54Å; W43-F46 HydrophobicContact CZ3-CD1 3.54Å; W43-F46 AromaticContact CZ3-CE1 3.87Å; W43-F46 HydrophobicContact CZ3-CE1 3.87Å; W43-F46 HydrophobicContact CZ3-CG 4.46Å; W43-F46 PolarHBondContact O-N 2.97Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 2.74Å; F46-F48 VanDerWaalsContact C-N 3.32Å; F46-F48 PolarHBondContact O-N 3.41Å; F46-C49 PolarHBondContact O-N 3.25Å; F46-V50 HydrophobicContact CD1-CG2 4.16Å; F46-V50 HydrophobicContact CD2-CG2 4.32Å; F46-V50 HydrophobicContact CE1-CG2 3.79Å; F46-V50 HydrophobicContact CE2-CG2 3.95Å; F46-V50 HydrophobicContact CG-CG2 4.43Å; F46-V50 HydrophobicContact CZ-CG2 3.67Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 2.65Å; F46-L127 HydrophobicContact CD1-CB 4.37Å; F46-L127 HydrophobicContact CE1-CB 3.89Å; F46-I128 HydrophobicContact CE1-CG1 4.06Å; F46-I128 HydrophobicContact CZ-CG1 4.18Å; F46-A131 HydrophobicContact CZ-CB 4.34Å
47	L	93.6	Very high	88.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-45.7	174.3	168.3	62.6	0	0	0	111.8	Y19 W43 F44 V50 F51 L103 A107 L127	Y19-L47 HydrophobicContact CE2-CD2 4.45Å; W43-L47 WeakPolarHBondContact O-CB 3.25Å; W43-L47 PolarHBondContact O-N 3.38Å; F44-L47 WeakPolarHBondContact O-CB 3.3Å; F44-L47 PolarHBondContact O-N 2.69Å; L47-V50 PolarHBondContact O-N 3.31Å; L47-F51 PolarHBondContact O-N 3.43Å; L47-L103 HydrophobicContact CD1-CB 3.8Å; L47-L103 HydrophobicContact CD1-CD1 4.29Å; L47-L103 HydrophobicContact CD2-CB 3.92Å; L47-A107 HydrophobicContact CD2-CB 4.47Å; L47-L127 HydrophobicContact CB-CD1 3.99Å; L47-L127 HydrophobicContact CD1-CD1 3.84Å; L47-L127 HydrophobicContact CD1-CD2 3.54Å; L47-L127 HydrophobicContact CD1-CG 4.33Å; L47-L127 HydrophobicContact CG-CD1 4.45Å
48	F	91.1	Very high	89.2	Confident	69 Å²	69	59.1 Å²	59.1	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-45.6	176.5	179.1	-101	0	0	0	111.9	F44 L45 F46 V50 F51 L52 L104	F44-F48 PolarHBondContact O-N 3.4Å; L45-F48 WeakPolarHBondContact O-CB 3.1Å; L45-F48 PolarHBondContact O-N 2.91Å; F46-F48 VanDerWaalsContact C-N 3.32Å; F46-F48 PolarHBondContact O-N 3.41Å; F48-V50 PolarHBondContact O-N 3.46Å; F48-F51 PolarHBondContact O-N 2.93Å; F48-L52 HydrophobicContact CD1-CD1 3.98Å; F48-L52 HydrophobicContact CE1-CD1 3.36Å; F48-L52 HydrophobicContact CE1-CG 4.13Å; F48-L52 HydrophobicContact CE2-CD1 4.49Å; F48-L52 HydrophobicContact CZ-CD1 3.67Å; F48-L52 HydrophobicContact CZ-CD2 4.4Å; F48-L52 HydrophobicContact CZ-CG 4.13Å; F48-L52 PolarHBondContact O-N 3.3Å; F48-L104 HydrophobicContact CB-CD1 4.43Å; F48-L104 HydrophobicContact CD2-CD1 4.27Å; F48-L104 HydrophobicContact CD2-CD2 4.2Å
49	C	94	Very high	90	Very high	65 Å²	65	52.2 Å²	52.2	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-42.1	175.8	-67.2	0	0	0	0	112.2	L45 F46 L52 F53	L45-C49 PolarHBondContact O-N 3.43Å; L45-C49 PolarHBondContact O-SG 3.08Å; F46-C49 PolarHBondContact O-N 3.25Å; C49-L52 PolarHBondContact O-N 3Å; C49-F53 VanDerWaalsContact O-CB 3.29Å; C49-F53 WeakPolarHBondContact O-CB 3.43Å; C49-F53 PolarHBondContact O-N 3.23Å
50	V	95.3	Very high	90.7	Very high	4 Å²	4	50 Å²	50	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-43.5	176.8	172.7	0	0	0	0	110.8	F46 L47 F48 F53 T54 L127 T130 A131	F46-V50 HydrophobicContact CD1-CG2 4.16Å; F46-V50 HydrophobicContact CD2-CG2 4.32Å; F46-V50 HydrophobicContact CE1-CG2 3.79Å; F46-V50 HydrophobicContact CE2-CG2 3.95Å; F46-V50 HydrophobicContact CG-CG2 4.43Å; F46-V50 HydrophobicContact CZ-CG2 3.67Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 2.65Å; L47-V50 PolarHBondContact O-N 3.31Å; F48-V50 PolarHBondContact O-N 3.46Å; V50-F53 PolarHBondContact O-N 2.94Å; V50-T54 HydrophobicContact CG1-CG2 4.34Å; V50-T54 VanDerWaalsContact O-CG2 3.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.4Å; V50-T54 PolarHBondContact O-N 3.3Å; V50-T54 PolarHBondContact O-OG1 3.19Å; V50-L127 HydrophobicContact CB-CD2 4.39Å; V50-L127 HydrophobicContact CG1-CD2 4.01Å; V50-T130 HydrophobicContact CG1-CG2 3.82Å; V50-A131 HydrophobicContact CG2-CB 4.1Å
51	F	95.1	Very high	91.2	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.184	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-50.1	175.3	170.7	-104.7	0	0	0	111.6	L47 F48 F53 T54 L55 I97 A101 L104	L47-F51 PolarHBondContact O-N 3.43Å; F48-F51 PolarHBondContact O-N 2.93Å; F51-F53 VanDerWaalsContact C-N 3.32Å; F51-F53 PolarHBondContact O-N 2.96Å; F51-T54 WeakPolarHBondContact CA-OG1 3.37Å; F51-T54 PolarHBondContact O-N 3.49Å; F51-T54 PolarHBondContact O-OG1 3.35Å; F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.22Å; F51-I97 HydrophobicContact CE2-CG2 4.38Å; F51-A101 HydrophobicContact CD2-CB 4.09Å; F51-A101 HydrophobicContact CE2-CB 3.73Å; F51-L104 HydrophobicContact CB-CD2 4.4Å; F51-L104 HydrophobicContact CD1-CD2 3.7Å; F51-L104 HydrophobicContact CE1-CD2 4.16Å; F51-L104 HydrophobicContact CG-CD2 4.02Å
52	L	92.8	Very high	91.8	Very high	73 Å²	73	50.5 Å²	50.5	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-43.1	175.9	-70.6	-178.7	0	0	0	112	F48 C49 T54 L55 V56	F48-L52 HydrophobicContact CD1-CD1 3.98Å; F48-L52 HydrophobicContact CE1-CD1 3.36Å; F48-L52 HydrophobicContact CE1-CG 4.13Å; F48-L52 HydrophobicContact CE2-CD1 4.49Å; F48-L52 HydrophobicContact CZ-CD1 3.67Å; F48-L52 HydrophobicContact CZ-CD2 4.4Å; F48-L52 HydrophobicContact CZ-CG 4.13Å; F48-L52 PolarHBondContact O-N 3.3Å; C49-L52 PolarHBondContact O-N 3Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 3.26Å; L52-L55 WeakPolarHBondContact O-CB 3.48Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-L55 VanDerWaalsContact O-N 3.14Å; L52-V56 WeakPolarHBondContact O-CG2 3.4Å; L52-V56 PolarHBondContact O-N 2.66Å
53	F	94.9	Very high	92	Very high	73 Å²	73	47 Å²	47	32%	0.32	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-41.7	178.8	-170.4	-134.6	0	0	0	111.9	C49 V50 F51 L55 V56 W57 V134 A135 F138	C49-F53 VanDerWaalsContact O-CB 3.29Å; C49-F53 WeakPolarHBondContact O-CB 3.43Å; C49-F53 PolarHBondContact O-N 3.23Å; V50-F53 PolarHBondContact O-N 2.94Å; F51-F53 VanDerWaalsContact C-N 3.32Å; F51-F53 PolarHBondContact O-N 2.96Å; F53-L55 VanDerWaalsContact C-N 3.35Å; F53-V56 PolarHBondContact O-N 3.29Å; F53-W57 PolarHBondContact O-N 3.32Å; F53-V134 HydrophobicContact CD1-CB 3.87Å; F53-V134 HydrophobicContact CD1-CG1 3.59Å; F53-V134 HydrophobicContact CD2-CG1 4.39Å; F53-V134 HydrophobicContact CE1-CB 3.65Å; F53-V134 HydrophobicContact CE1-CG1 3.41Å; F53-V134 VanDerWaalsContact CE1-CG1 3.41Å; F53-V134 HydrophobicContact CE2-CG1 4.23Å; F53-V134 HydrophobicContact CG-CG1 4.1Å; F53-V134 HydrophobicContact CZ-CB 4.39Å; F53-V134 HydrophobicContact CZ-CG1 3.75Å; F53-A135 HydrophobicContact CE1-CB 4.15Å; F53-A135 HydrophobicContact CZ-CB 4.24Å; F53-F138 HydrophobicContact CD2-CE2 4.13Å; F53-F138 AromaticContact CE2-CD2 3.62Å; F53-F138 HydrophobicContact CE2-CD2 3.62Å; F53-F138 AromaticContact CE2-CE2 3.53Å; F53-F138 HydrophobicContact CE2-CE2 3.53Å; F53-F138 AromaticContact CZ-CD2 3.64Å; F53-F138 HydrophobicContact CZ-CD2 3.64Å; F53-F138 AromaticContact CZ-CE2 3.95Å; F53-F138 HydrophobicContact CZ-CE2 3.95Å
54	T	95.2	Very high	92	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-34.1	174.1	58.4	0	0	0	0	112.6	V50 F51 L52 W57 L58 L96 I97 S100 T130 V134	V50-T54 HydrophobicContact CG1-CG2 4.34Å; V50-T54 VanDerWaalsContact O-CG2 3.31Å; V50-T54 WeakPolarHBondContact O-CG2 3.4Å; V50-T54 PolarHBondContact O-N 3.3Å; V50-T54 PolarHBondContact O-OG1 3.19Å; F51-T54 WeakPolarHBondContact CA-OG1 3.37Å; F51-T54 PolarHBondContact O-N 3.49Å; F51-T54 PolarHBondContact O-OG1 3.35Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 3.26Å; T54-W57 WeakPolarHBondContact O-CB 3.44Å; T54-W57 PolarHBondContact O-N 3.24Å; T54-L58 PolarHBondContact O-N 3.24Å; T54-L96 HydrophobicContact CG2-CB 4.5Å; T54-I97 VanDerWaalsContact O-CD1 3.3Å; T54-I97 WeakPolarHBondContact O-CD1 3.44Å; T54-S100 PolarHBondContact OG1-OG 2.65Å; T54-T130 HydrophobicContact CG2-CG2 3.5Å; T54-T130 VanDerWaalsContact CG2-CG2 3.5Å; T54-V134 HydrophobicContact CG2-CG2 3.88Å
55	L	93.1	Very high	91.9	Very high	79 Å²	79	44.7 Å²	44.7	41%	0.414	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-42.8	176.4	-174.4	68.7	0	0	0	111.6	F51 L52 F53 W57 L58 Y59	F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.22Å; L52-L55 WeakPolarHBondContact O-CB 3.48Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-L55 VanDerWaalsContact O-N 3.14Å; F53-L55 VanDerWaalsContact C-N 3.35Å; L55-W57 VanDerWaalsContact C-N 3.3Å; L55-W57 PolarHBondContact O-N 3.04Å; L55-L58 PolarHBondContact O-N 3.28Å; L55-Y59 PolarHBondContact O-N 3.11Å; L55-Y59 VanDerWaalsContact O-N 3.08Å
56	V	93.7	Very high	92.1	Very high	72 Å²	72	39.9 Å²	39.9	44%	0.436	20%	0.2	S	C	.	.	H	α-helix	trans	-60.9	-43.8	172.8	178.1	0	0	0	0	109.8	L52 F53 L58 Y59 F60 F138	L52-V56 WeakPolarHBondContact O-CG2 3.4Å; L52-V56 PolarHBondContact O-N 2.66Å; F53-V56 PolarHBondContact O-N 3.29Å; V56-L58 PolarHBondContact O-N 3.3Å; V56-Y59 WeakPolarHBondContact O-CB 3.45Å; V56-Y59 PolarHBondContact O-N 3.29Å; V56-F60 HydrophobicContact CG1-CD2 3.96Å; V56-F60 HydrophobicContact CG1-CE2 3.96Å; V56-F60 WeakPolarHBondContact O-CD2 3.41Å; V56-F60 PolarHBondContact O-N 3.13Å; V56-F138 HydrophobicContact CG1-CZ 4.05Å
57	W	94.1	Very high	91.8	Very high	16 Å²	16	36.9 Å²	36.9	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-42.7	175.4	174.1	-105.5	0	0	0	113.3	F53 T54 L55 Y59 F60 A61 L89 T93 V134 A137 F138	F53-W57 PolarHBondContact O-N 3.32Å; T54-W57 WeakPolarHBondContact O-CB 3.44Å; T54-W57 PolarHBondContact O-N 3.24Å; L55-W57 VanDerWaalsContact C-N 3.3Å; L55-W57 PolarHBondContact O-N 3.04Å; W57-Y59 VanDerWaalsContact C-N 3.32Å; W57-Y59 PolarHBondContact O-N 3.05Å; W57-F60 PolarHBondContact O-N 3.28Å; W57-A61 WeakPolarHBondContact O-CB 3.32Å; W57-A61 PolarHBondContact O-N 3.37Å; W57-L89 HydrophobicContact CZ2-CD1 4.09Å; W57-L89 HydrophobicContact CZ2-CD2 4.16Å; W57-L89 HydrophobicContact CZ2-CG 4.39Å; W57-T93 PolarHBondContact NE1-OG1 3.47Å; W57-V134 HydrophobicContact CB-CG1 3.57Å; W57-V134 HydrophobicContact CD2-CG1 4.41Å; W57-V134 HydrophobicContact CG-CG1 3.89Å; W57-V134 HydrophobicContact CG-CG2 4.49Å; W57-A137 HydrophobicContact CD2-CB 4.23Å; W57-A137 HydrophobicContact CE3-CB 4.03Å; W57-A137 HydrophobicContact CH2-CB 3.41Å; W57-A137 VanDerWaalsContact CH2-CB 3.41Å; W57-A137 HydrophobicContact CZ2-CB 3.6Å; W57-A137 HydrophobicContact CZ3-CB 3.62Å; W57-F138 HydrophobicContact CB-CE2 3.92Å; W57-F138 HydrophobicContact CB-CZ 4.09Å; W57-F138 HydrophobicContact CE3-CD1 4.15Å; W57-F138 HydrophobicContact CE3-CD2 4.03Å; W57-F138 AromaticContact CE3-CE1 3.97Å; W57-F138 HydrophobicContact CE3-CE1 3.97Å; W57-F138 AromaticContact CE3-CE2 3.86Å; W57-F138 HydrophobicContact CE3-CE2 3.86Å; W57-F138 HydrophobicContact CE3-CG 4.17Å; W57-F138 AromaticContact CE3-CZ 3.82Å; W57-F138 HydrophobicContact CE3-CZ 3.82Å; W57-F138 HydrophobicContact CZ3-CD1 4.33Å; W57-F138 HydrophobicContact CZ3-CE1 4.46Å; W57-F138 HydrophobicContact CZ3-CG 4.45Å
58	L	92.6	Very high	91.2	Very high	54 Å²	54	37.4 Å²	37.4	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-59.1	-44.2	173.9	171.2	67.2	0	0	0	112.3	T54 L55 V56 F60 A61 M62 T93 I97	T54-L58 PolarHBondContact O-N 3.24Å; L55-L58 PolarHBondContact O-N 3.28Å; V56-L58 PolarHBondContact O-N 3.3Å; L58-F60 VanDerWaalsContact C-N 3.3Å; L58-F60 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.09Å; L58-M62 HydrophobicContact CD1-CG 4.02Å; L58-M62 HydrophobicContact CD1-SD 4.49Å; L58-M62 HydrophobicContact CG-CG 4.39Å; L58-M62 WeakPolarHBondContact O-CB 3.4Å; L58-M62 VanDerWaalsContact O-CG 3.24Å; L58-M62 WeakPolarHBondContact O-CG 3.31Å; L58-M62 PolarHBondContact O-N 2.99Å; L58-T93 HydrophobicContact CB-CG2 3.91Å; L58-T93 HydrophobicContact CD1-CG2 3.98Å; L58-I97 HydrophobicContact CB-CD1 3.31Å; L58-I97 HydrophobicContact CD1-CD1 4.39Å; L58-I97 HydrophobicContact CD2-CD1 3.75Å; L58-I97 HydrophobicContact CG-CD1 4.01Å
59	Y	92.2	Very high	90.9	Very high	49 Å²	49	35.1 Å²	35.1	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-56.8	-47.1	176.2	175.9	-95.3	0	0	0	111.1	L55 V56 W57 M62 V63 S155 L156 T159 L163	L55-Y59 PolarHBondContact O-N 3.11Å; L55-Y59 VanDerWaalsContact O-N 3.08Å; V56-Y59 WeakPolarHBondContact O-CB 3.45Å; V56-Y59 PolarHBondContact O-N 3.29Å; W57-Y59 VanDerWaalsContact C-N 3.32Å; W57-Y59 PolarHBondContact O-N 3.05Å; Y59-M62 PolarHBondContact O-N 2.99Å; Y59-V63 HydrophobicContact CD1-CG2 4.48Å; Y59-V63 HydrophobicContact CE1-CG2 4.1Å; Y59-V63 WeakPolarHBondContact O-CG2 3.38Å; Y59-V63 PolarHBondContact O-N 2.88Å; Y59-V63 VanDerWaalsContact O-N 3.09Å; Y59-S155 VanDerWaalsContact OH-C 3.23Å; Y59-S155 VanDerWaalsContact OH-CB 3.3Å; Y59-S155 WeakPolarHBondContact OH-CB 3.43Å; Y59-S155 PolarHBondContact OH-OG 3.25Å; Y59-L156 HydrophobicContact CE1-CD2 4.29Å; Y59-L156 HydrophobicContact CE1-CG 4.43Å; Y59-L156 WeakPolarHBondContact OH-CD2 3.28Å; Y59-L156 WeakPolarHBondContact OH-CG 3.44Å; Y59-L156 PolarHBondContact OH-N 3.43Å; Y59-T159 HydrophobicContact CE2-CG2 4.38Å; Y59-T159 PolarHBondContact OH-OG1 2.78Å; Y59-T159 VanDerWaalsContact OH-OG1 3.07Å; Y59-L163 HydrophobicContact CE2-CD1 4.14Å
60	F	91.1	Very high	90.4	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-45.3	175.5	-88.1	-93.4	0	0	0	112.9	V56 W57 L58 M62 V63 I64 F138 L141 W149 A152	V56-F60 HydrophobicContact CG1-CD2 3.96Å; V56-F60 HydrophobicContact CG1-CE2 3.96Å; V56-F60 WeakPolarHBondContact O-CD2 3.41Å; V56-F60 PolarHBondContact O-N 3.13Å; W57-F60 PolarHBondContact O-N 3.28Å; L58-F60 VanDerWaalsContact C-N 3.3Å; L58-F60 PolarHBondContact O-N 3.38Å; F60-M62 PolarHBondContact O-N 2.87Å; F60-V63 WeakPolarHBondContact O-CB 3.45Å; F60-V63 PolarHBondContact O-N 3.47Å; F60-V63 VanDerWaalsContact O-N 3.08Å; F60-I64 WeakPolarHBondContact O-CD1 2.94Å; F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 3.22Å; F60-F138 HydrophobicContact CB-CE1 4.35Å; F60-F138 HydrophobicContact CD1-CE1 4.4Å; F60-F138 AromaticContact CD2-CE1 3.84Å; F60-F138 HydrophobicContact CD2-CE1 3.84Å; F60-F138 HydrophobicContact CD2-CZ 4.16Å; F60-F138 HydrophobicContact CE2-CE1 4.24Å; F60-F138 AromaticContact CG-CE1 3.94Å; F60-F138 HydrophobicContact CG-CE1 3.94Å; F60-L141 HydrophobicContact CD1-CD2 4.07Å; F60-W149 HydrophobicContact CE1-CD2 4.22Å; F60-W149 AromaticContact CE1-CE3 3.51Å; F60-W149 HydrophobicContact CE1-CE3 3.51Å; F60-W149 HydrophobicContact CE1-CH2 4.2Å; F60-W149 AromaticContact CE1-CZ3 3.51Å; F60-W149 HydrophobicContact CE1-CZ3 3.51Å; F60-W149 HydrophobicContact CE2-CZ3 4.2Å; F60-W149 AromaticContact CZ-CE3 3.6Å; F60-W149 HydrophobicContact CZ-CE3 3.6Å; F60-W149 HydrophobicContact CZ-CH2 4.14Å; F60-W149 AromaticContact CZ-CZ3 3.27Å; F60-W149 HydrophobicContact CZ-CZ3 3.27Å; F60-A152 HydrophobicContact CD1-CB 3.96Å; F60-A152 HydrophobicContact CE1-CB 3.29Å; F60-A152 HydrophobicContact CZ-CB 3.64Å
61	A	89.6	Confident	89.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-37.6	178.1	0	0	0	0	0	111.7	W57 L58	W57-A61 WeakPolarHBondContact O-CB 3.32Å; W57-A61 PolarHBondContact O-N 3.37Å; L58-A61 PolarHBondContact O-N 3.09Å
62	M	89	Confident	89.4	Confident	94 Å²	94	35.8 Å²	35.8	46%	0.463	18%	0.178	S	C	.	.	H	α-helix	trans	-68.9	-37.1	175.2	-69.5	-65	-65.8	0	0	112.8	L58 Y59 F60 L65 L90	L58-M62 HydrophobicContact CD1-CG 4.02Å; L58-M62 HydrophobicContact CD1-SD 4.49Å; L58-M62 HydrophobicContact CG-CG 4.39Å; L58-M62 WeakPolarHBondContact O-CB 3.4Å; L58-M62 VanDerWaalsContact O-CG 3.24Å; L58-M62 WeakPolarHBondContact O-CG 3.31Å; L58-M62 PolarHBondContact O-N 2.99Å; Y59-M62 PolarHBondContact O-N 2.99Å; F60-M62 PolarHBondContact O-N 2.87Å; M62-L65 HydrophobicContact CE-CD1 3.97Å; M62-L65 WeakPolarHBondContact O-CB 3.39Å; M62-L65 WeakPolarHBondContact O-CG 3.19Å; M62-L65 PolarHBondContact O-N 2.98Å; M62-L65 HydrophobicContact SD-CD1 3.74Å; M62-L90 HydrophobicContact SD-CD2 4.14Å
63	V	89.4	Confident	89.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-43.5	176.4	170.4	0	0	0	0	111.2	Y59 F60 L65 N66 S155 W456	Y59-V63 HydrophobicContact CD1-CG2 4.48Å; Y59-V63 HydrophobicContact CE1-CG2 4.1Å; Y59-V63 WeakPolarHBondContact O-CG2 3.38Å; Y59-V63 PolarHBondContact O-N 2.88Å; Y59-V63 VanDerWaalsContact O-N 3.09Å; F60-V63 WeakPolarHBondContact O-CB 3.45Å; F60-V63 PolarHBondContact O-N 3.47Å; F60-V63 VanDerWaalsContact O-N 3.08Å; V63-L65 PolarHBondContact O-N 3.21Å; V63-L65 VanDerWaalsContact O-N 3.14Å; V63-N66 PolarHBondContact O-N 2.91Å; V63-S155 VanDerWaalsContact CG2-CB 3.46Å; V63-S155 WeakPolarHBondContact CG2-OG 3.44Å; V63-W456 HydrophobicContact CG1-CH2 4.25Å; V63-W456 HydrophobicContact CG1-CZ2 4.25Å
64	I	87.1	Confident	88.6	Confident	11 Å²	11	32.6 Å²	32.6	6%	0.056	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-70	-9.2	-177.6	-61.1	157.1	0	0	0	112	F60 N66 D67 F68 L141 E148	F60-I64 WeakPolarHBondContact O-CD1 2.94Å; F60-I64 WeakPolarHBondContact O-CG1 3.49Å; F60-I64 PolarHBondContact O-N 3.22Å; I64-N66 PolarHBondContact O-N 3.26Å; I64-D67 PolarHBondContact O-N 3.07Å; I64-F68 HydrophobicContact CG2-CD2 4.35Å; I64-F68 PolarHBondContact O-N 2.64Å; I64-L141 HydrophobicContact CD1-CD1 3.43Å; I64-L141 VanDerWaalsContact CD1-CD1 3.43Å; I64-L141 HydrophobicContact CD1-CD2 3.97Å; I64-L141 HydrophobicContact CD1-CG 4.38Å; I64-L141 HydrophobicContact CG1-CD1 4.35Å; I64-E148 HydrophobicContact CG1-CB 4.2Å; I64-E148 HydrophobicContact CG1-CG 4.21Å
65	L	86.9	Confident	88.1	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.199	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.8	-21.5	174.9	-66.5	177.9	0	0	0	113.8	M62 V63 F68 L90 Q454	M62-L65 HydrophobicContact CE-CD1 3.97Å; M62-L65 WeakPolarHBondContact O-CB 3.39Å; M62-L65 WeakPolarHBondContact O-CG 3.19Å; M62-L65 PolarHBondContact O-N 2.98Å; M62-L65 HydrophobicContact SD-CD1 3.74Å; V63-L65 PolarHBondContact O-N 3.21Å; V63-L65 VanDerWaalsContact O-N 3.14Å; L65-F68 HydrophobicContact CD2-CD2 4.33Å; L65-L90 HydrophobicContact CD2-CD1 3.86Å; L65-L90 HydrophobicContact CD2-CD2 4.26Å; L65-L90 HydrophobicContact CD2-CG 4.25Å; L65-Q454 PolarHBondContact O-NE2 3.31Å
66	N	90.3	Very high	87.7	Confident	2 Å²	2	31 Å²	31	1%	0.011	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-62.8	-42.5	172.5	-174.8	77	0	0	0	112.8	V63 I64 Y429 V451 N453 Q454 L457	V63-N66 PolarHBondContact O-N 2.91Å; I64-N66 PolarHBondContact O-N 3.26Å; N66-Y429 VanDerWaalsContact ND2-CE1 3.29Å; N66-Y429 WeakPolarHBondContact ND2-CE1 3.44Å; N66-V451 PolarHBondContact ND2-O 3.31Å; N66-N453 PolarHBondContact O-ND2 3.03Å; N66-N453 PolarHBondContact OD1-N 2.72Å; N66-Q454 HydrophobicContact CB-CG 3.83Å; N66-Q454 PolarHBondContact OD1-N 2.87Å; N66-L457 HydrophobicContact CB-CD2 4.44Å
67	D	86.1	Confident	87.2	Confident	7 Å²	7	32 Å²	32	4%	0.037	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	7	-171.5	-64.4	-71	0	0	0	112.7	I64 H69 N70 F71 W145 Y429	I64-D67 PolarHBondContact O-N 3.07Å; D67-H69 PolarHBondContact O-N 3.23Å; D67-H69 VanDerWaalsContact O-N 3.15Å; D67-N70 VanDerWaalsContact O-CB 3.28Å; D67-N70 WeakPolarHBondContact O-CB 3.36Å; D67-N70 PolarHBondContact O-N 2.93Å; D67-F71 PolarHBondContact O-N 3.12Å; D67-W145 HydrophobicContact CB-CZ3 4.16Å; D67-Y429 WeakPolarHBondContact OD2-CE1 3.18Å; D67-Y429 PolarHBondContact OD2-OH 2.95Å
68	F	82.7	Confident	86.8	Confident	10 Å²	10	37.1 Å²	37.1	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-29.7	-175.8	-145.1	-71.7	0	0	0	113.4	I64 L65 N70 F71 N72 W85 S86 L89	I64-F68 HydrophobicContact CG2-CD2 4.35Å; I64-F68 PolarHBondContact O-N 2.64Å; L65-F68 HydrophobicContact CD2-CD2 4.33Å; F68-N70 VanDerWaalsContact C-N 3.28Å; F68-N70 PolarHBondContact O-N 3.11Å; F68-F71 HydrophobicContact CD1-CB 4.29Å; F68-F71 HydrophobicContact CD1-CD1 4.23Å; F68-F71 HydrophobicContact CE1-CB 4.31Å; F68-F71 AromaticContact CE1-CD1 3.44Å; F68-F71 HydrophobicContact CE1-CD1 3.44Å; F68-F71 VanDerWaalsContact CE1-CD1 3.44Å; F68-F71 HydrophobicContact CE1-CE1 4.16Å; F68-F71 HydrophobicContact CE1-CG 4.23Å; F68-F71 AromaticContact CZ-CD1 3.69Å; F68-F71 HydrophobicContact CZ-CD1 3.69Å; F68-F71 HydrophobicContact CZ-CE1 4.11Å; F68-F71 HydrophobicContact CZ-CG 4.4Å; F68-F71 WeakPolarHBondContact O-CA 3.34Å; F68-F71 VanDerWaalsContact O-CB 3.32Å; F68-F71 WeakPolarHBondContact O-CB 3.26Å; F68-F71 PolarHBondContact O-N 3.24Å; F68-N72 PolarHBondContact O-N 3.44Å; F68-W85 HydrophobicContact CE1-CB 3.91Å; F68-W85 HydrophobicContact CZ-CB 4.38Å; F68-W85 WeakPolarHBondContact CZ-O 3.29Å; F68-S86 VanDerWaalsContact CD1-CA 3.48Å; F68-S86 VanDerWaalsContact CE1-CB 3.46Å; F68-S86 VanDerWaalsContact CG-CB 3.48Å; F68-L89 HydrophobicContact CE2-CB 4.34Å; F68-L89 HydrophobicContact CE2-CD2 3.59Å; F68-L89 HydrophobicContact CZ-CB 4.1Å; F68-L89 HydrophobicContact CZ-CD2 3.98Å
69	H	83.8	Confident	86.4	Confident	21 Å²	21	42.1 Å²	42.1	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-42.9	173.4	-178.4	72.1	0	0	0	111.6	D67 F71 N72 E73 F319	D67-H69 PolarHBondContact O-N 3.23Å; D67-H69 VanDerWaalsContact O-N 3.15Å; H69-F71 PolarHBondContact O-N 2.52Å; H69-N72 PolarHBondContact O-N 3.28Å; H69-N72 VanDerWaalsContact O-N 3.15Å; H69-E73 IonicContact NE2-OE1 3.46Å; H69-E73 PolarHBondContact NE2-OE1 3.37Å; H69-E73 WeakPolarHBondContact O-CG 3.29Å; H69-E73 PolarHBondContact O-N 3.28Å; H69-F319 HydrophobicContact CB-CE1 4Å; H69-F319 AromaticContact CD2-CZ 3.89Å; H69-F319 AromaticContact CE1-CE1 3.77Å; H69-F319 AromaticContact CE1-CE2 3.84Å; H69-F319 AromaticContact CE1-CZ 3.29Å; H69-F319 WeakPolarHBondContact CE1-CZ 3.19Å; H69-F319 AromaticContact CG-CE1 3.54Å; H69-F319 AromaticContact CG-CZ 3.7Å; H69-F319 AromaticContact ND1-CE1 3.27Å; H69-F319 VanDerWaalsContact ND1-CE1 3.27Å; H69-F319 WeakPolarHBondContact ND1-CE1 3.5Å; H69-F319 AromaticContact ND1-CZ 3.32Å; H69-F319 VanDerWaalsContact ND1-CZ 3.32Å; H69-F319 WeakPolarHBondContact ND1-CZ 3.48Å; H69-F319 AromaticContact NE2-CZ 3.63Å
70	N	83.8	Confident	86	Confident	57 Å²	57	45.5 Å²	45.5	31%	0.305	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-32.4	175.4	-58.6	-21.9	0	0	0	110.9	D67 F68 E73 F74 W145	D67-N70 VanDerWaalsContact O-CB 3.28Å; D67-N70 WeakPolarHBondContact O-CB 3.36Å; D67-N70 PolarHBondContact O-N 2.93Å; F68-N70 VanDerWaalsContact C-N 3.28Å; F68-N70 PolarHBondContact O-N 3.11Å; N70-E73 PolarHBondContact O-N 3.3Å; N70-F74 WeakPolarHBondContact O-CB 3.47Å; N70-F74 PolarHBondContact O-N 2.94Å; N70-W145 HydrophobicContact CB-CH2 3.81Å; N70-W145 HydrophobicContact CB-CZ3 4.45Å
71	F	82.8	Confident	85.6	Confident	62 Å²	62	49.4 Å²	49.4	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-70.1	-44.5	177.8	-179.4	-95.5	0	0	0	111	D67 F68 H69 E73 F74 I75 W85 W145	D67-F71 PolarHBondContact O-N 3.12Å; F68-F71 HydrophobicContact CD1-CB 4.29Å; F68-F71 HydrophobicContact CD1-CD1 4.23Å; F68-F71 HydrophobicContact CE1-CB 4.31Å; F68-F71 AromaticContact CE1-CD1 3.44Å; F68-F71 HydrophobicContact CE1-CD1 3.44Å; F68-F71 VanDerWaalsContact CE1-CD1 3.44Å; F68-F71 HydrophobicContact CE1-CE1 4.16Å; F68-F71 HydrophobicContact CE1-CG 4.23Å; F68-F71 AromaticContact CZ-CD1 3.69Å; F68-F71 HydrophobicContact CZ-CD1 3.69Å; F68-F71 HydrophobicContact CZ-CE1 4.11Å; F68-F71 HydrophobicContact CZ-CG 4.4Å; F68-F71 WeakPolarHBondContact O-CA 3.34Å; F68-F71 VanDerWaalsContact O-CB 3.32Å; F68-F71 WeakPolarHBondContact O-CB 3.26Å; F68-F71 PolarHBondContact O-N 3.24Å; H69-F71 PolarHBondContact O-N 2.52Å; F71-E73 VanDerWaalsContact C-N 3.33Å; F71-E73 PolarHBondContact O-N 3.19Å; F71-F74 WeakPolarHBondContact O-CB 3.23Å; F71-F74 PolarHBondContact O-N 2.93Å; F71-I75 HydrophobicContact CD1-CG1 4.24Å; F71-I75 HydrophobicContact CE1-CD1 4.4Å; F71-I75 HydrophobicContact CE1-CG1 3.82Å; F71-I75 HydrophobicContact CE2-CD1 4.33Å; F71-I75 HydrophobicContact CE2-CG1 4.37Å; F71-I75 HydrophobicContact CZ-CD1 3.97Å; F71-I75 HydrophobicContact CZ-CG1 3.89Å; F71-I75 WeakPolarHBondContact O-CG1 3.44Å; F71-I75 PolarHBondContact O-N 3.19Å; F71-W85 HydrophobicContact CD1-CB 4.07Å; F71-W85 HydrophobicContact CE1-CB 3.76Å; F71-W85 HydrophobicContact CE1-CG 4.26Å; F71-W145 VanDerWaalsContact CA-CH2 3.46Å; F71-W145 HydrophobicContact CB-CH2 3.56Å; F71-W145 HydrophobicContact CB-CZ2 3.77Å; F71-W145 HydrophobicContact CB-CZ3 4.31Å; F71-W145 HydrophobicContact CD2-CH2 4.37Å; F71-W145 AromaticContact CD2-CZ2 3.81Å; F71-W145 HydrophobicContact CD2-CZ2 3.81Å; F71-W145 HydrophobicContact CG-CH2 4.49Å; F71-W145 HydrophobicContact CG-CZ2 4.29Å; F71-W145 VanDerWaalsContact N-CH2 3.26Å
72	N	86.8	Confident	85.2	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-43.7	174.1	-72.9	-18.8	0	0	0	111.2	F68 H69 I75 Y76 W82 L83 D84 W85	F68-N72 PolarHBondContact O-N 3.44Å; H69-N72 PolarHBondContact O-N 3.28Å; H69-N72 VanDerWaalsContact O-N 3.15Å; N72-I75 PolarHBondContact O-N 2.94Å; N72-Y76 WeakPolarHBondContact O-CB 3.31Å; N72-Y76 PolarHBondContact O-N 3.02Å; N72-W82 HydrophobicContact CB-CZ2 4.42Å; N72-L83 PolarHBondContact OD1-O 3.19Å; N72-D84 PolarHBondContact ND2-OD1 2.9Å; N72-W85 VanDerWaalsContact OD1-CB 3.3Å; N72-W85 WeakPolarHBondContact OD1-CB 3.43Å; N72-W85 PolarHBondContact OD1-N 3.2Å
73	E	85.2	Confident	84.9	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-43.5	174.7	-69.2	-162.6	149.2	0	0	112.6	H69 N70 F71 Y76 K77 W82 R233 R280	H69-E73 IonicContact NE2-OE1 3.46Å; H69-E73 PolarHBondContact NE2-OE1 3.37Å; H69-E73 WeakPolarHBondContact O-CG 3.29Å; H69-E73 PolarHBondContact O-N 3.28Å; N70-E73 PolarHBondContact O-N 3.3Å; F71-E73 VanDerWaalsContact C-N 3.33Å; F71-E73 PolarHBondContact O-N 3.19Å; E73-Y76 PolarHBondContact O-N 3.03Å; E73-K77 WeakPolarHBondContact O-CG 3.1Å; E73-K77 PolarHBondContact O-N 3.14Å; E73-W82 HydrophobicContact CG-CH2 4.11Å; E73-W82 HydrophobicContact CG-CZ3 4.45Å; E73-R233 IonicContact OE1-NH1 2.75Å; E73-R280 IonicContact OE1-CZ 3.37Å; E73-R280 VanDerWaalsContact OE1-CZ 3.25Å; E73-R280 IonicContact OE1-NE 2.67Å; E73-R280 IonicContact OE1-NH1 3.77Å; E73-R280 PolarHBondContact OE1-NH1 3.03Å; E73-R280 IonicContact OE1-NH2 3.52Å
74	F	85.4	Confident	84.6	Confident	68 Å²	68	52.7 Å²	52.7	30%	0.298	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-49.4	177	172.6	-93	0	0	0	111.4	N70 F71 Y76 K77 H78	N70-F74 WeakPolarHBondContact O-CB 3.47Å; N70-F74 PolarHBondContact O-N 2.94Å; F71-F74 WeakPolarHBondContact O-CB 3.23Å; F71-F74 PolarHBondContact O-N 2.93Å; F74-Y76 VanDerWaalsContact C-N 3.32Å; F74-Y76 PolarHBondContact O-N 3.31Å; F74-K77 PolarHBondContact O-N 3.4Å; F74-H78 AromaticContact CD2-CE1 3.64Å; F74-H78 AromaticContact CD2-ND1 3.99Å; F74-H78 AromaticContact CE2-CE1 3.18Å; F74-H78 WeakPolarHBondContact CE2-CE1 3.33Å; F74-H78 AromaticContact CE2-ND1 3.81Å; F74-H78 AromaticContact CE2-NE2 3.97Å; F74-H78 AromaticContact CZ-CE1 3.47Å; F74-H78 VanDerWaalsContact CZ-CE1 3.47Å; F74-H78 WeakPolarHBondContact CZ-CE1 3.3Å; F74-H78 AromaticContact CZ-ND1 3.85Å; F74-H78 PolarHBondContact O-N 3.01Å; F74-H78 PolarHBondContact O-ND1 2.98Å
75	I	84.8	Confident	84.4	Confident	33 Å²	33	56 Å²	56	17%	0.169	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-41.4	178.7	-61.2	-63.4	0	0	0	110.6	F71 N72 K77 H78 K79 W85	F71-I75 HydrophobicContact CD1-CG1 4.24Å; F71-I75 HydrophobicContact CE1-CD1 4.4Å; F71-I75 HydrophobicContact CE1-CG1 3.82Å; F71-I75 HydrophobicContact CE2-CD1 4.33Å; F71-I75 HydrophobicContact CE2-CG1 4.37Å; F71-I75 HydrophobicContact CZ-CD1 3.97Å; F71-I75 HydrophobicContact CZ-CG1 3.89Å; F71-I75 WeakPolarHBondContact O-CG1 3.44Å; F71-I75 PolarHBondContact O-N 3.19Å; N72-I75 PolarHBondContact O-N 2.94Å; I75-K77 PolarHBondContact O-N 3.25Å; I75-H78 PolarHBondContact O-N 2.82Å; I75-K79 HydrophobicContact CG2-CB 4.41Å; I75-K79 HydrophobicContact CG2-CG 4.2Å; I75-K79 WeakPolarHBondContact O-CB 3.45Å; I75-K79 PolarHBondContact O-N 3.4Å; I75-W85 HydrophobicContact CG2-CZ2 4.21Å; I75-W85 VanDerWaalsContact CG2-NE1 3.34Å
76	Y	85	Confident	84.1	Confident	15 Å²	15	55.2 Å²	55.2	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-44.6	176.6	178.7	-99.3	0	0	0	112	N72 E73 F74 H78 K79 K80 W82 R280 R316	N72-Y76 WeakPolarHBondContact O-CB 3.31Å; N72-Y76 PolarHBondContact O-N 3.02Å; E73-Y76 PolarHBondContact O-N 3.03Å; F74-Y76 VanDerWaalsContact C-N 3.32Å; F74-Y76 PolarHBondContact O-N 3.31Å; Y76-H78 PolarHBondContact O-N 2.9Å; Y76-K79 PolarHBondContact O-N 3.04Å; Y76-K80 WeakPolarHBondContact CE2-O 3.24Å; Y76-K80 VanDerWaalsContact O-CA 3.25Å; Y76-K80 WeakPolarHBondContact O-CA 3.38Å; Y76-K80 PolarHBondContact O-N 3.02Å; Y76-W82 HydrophobicContact CD1-CE3 4.19Å; Y76-W82 HydrophobicContact CD1-CZ3 4.36Å; Y76-W82 HydrophobicContact CD2-CB 3.96Å; Y76-W82 HydrophobicContact CD2-CD2 4.49Å; Y76-W82 AromaticContact CD2-CE3 3.7Å; Y76-W82 HydrophobicContact CD2-CE3 3.7Å; Y76-W82 HydrophobicContact CE2-CB 4.32Å; Y76-W82 HydrophobicContact CE2-CE3 4.42Å; Y76-W82 AromaticContact CG-CE3 3.57Å; Y76-W82 HydrophobicContact CG-CE3 3.57Å; Y76-W82 HydrophobicContact CG-CZ3 4.04Å; Y76-R280 HydrophobicContact CD1-CG 4.09Å; Y76-R280 HydrophobicContact CE1-CB 4.14Å; Y76-R280 HydrophobicContact CE1-CG 3.95Å; Y76-R316 VanDerWaalsContact CE1-NH1 3.31Å; Y76-R316 PolarHBondContact OH-NH1 3.29Å; Y76-R316 VanDerWaalsContact OH-NH1 3.13Å; Y76-R316 PolarHBondContact OH-NH2 3.39Å
77	K	83.3	Confident	83.8	Confident	92 Å²	92	59.7 Å²	59.7	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-57.3	-34.4	178.8	-77.8	178.4	176.9	178.9	0	112.1	E73 F74 I75 K80 D275	E73-K77 WeakPolarHBondContact O-CG 3.1Å; E73-K77 PolarHBondContact O-N 3.14Å; F74-K77 PolarHBondContact O-N 3.4Å; I75-K77 PolarHBondContact O-N 3.25Å; K77-K80 PolarHBondContact O-NZ 3.38Å; K77-D275 WeakPolarHBondContact CE-OD1 3.25Å; K77-D275 IonicContact NZ-OD1 3.29Å; K77-D275 PolarHBondContact NZ-OD1 3.42Å
78	H	84.8	Confident	83.8	Confident	124 Å²	124	62.4 Å²	62.4	57%	0.574	30%	0.297	S	S	*	.	H	α-helix	trans	-90.2	-37.5	-178.8	-67.2	81.3	0	0	0	114.9	F74 I75 Y76	F74-H78 AromaticContact CD2-CE1 3.64Å; F74-H78 AromaticContact CD2-ND1 3.99Å; F74-H78 AromaticContact CE2-CE1 3.18Å; F74-H78 WeakPolarHBondContact CE2-CE1 3.33Å; F74-H78 AromaticContact CE2-ND1 3.81Å; F74-H78 AromaticContact CE2-NE2 3.97Å; F74-H78 AromaticContact CZ-CE1 3.47Å; F74-H78 VanDerWaalsContact CZ-CE1 3.47Å; F74-H78 WeakPolarHBondContact CZ-CE1 3.3Å; F74-H78 AromaticContact CZ-ND1 3.85Å; F74-H78 PolarHBondContact O-N 3.01Å; F74-H78 PolarHBondContact O-ND1 2.98Å; I75-H78 PolarHBondContact O-N 2.82Å; Y76-H78 PolarHBondContact O-N 2.9Å
79	K	85.1	Confident	84	Confident	159 Å²	159	64.6 Å²	64.6	69%	0.691	31%	0.309	S	S	*	.	H	α-helix	trans	-107.2	-13.4	-172	-64.4	-64.1	-173.3	-179.3	0	114	I75 Y76 L81	I75-K79 HydrophobicContact CG2-CB 4.41Å; I75-K79 HydrophobicContact CG2-CG 4.2Å; I75-K79 WeakPolarHBondContact O-CB 3.45Å; I75-K79 PolarHBondContact O-N 3.4Å; Y76-K79 PolarHBondContact O-N 3.04Å; K79-L81 PolarHBondContact O-N 3.36Å
80	K	82.5	Confident	84.2	Confident	119 Å²	119	65.9 Å²	65.9	52%	0.517	32%	0.316	S	S	.	.			trans	56.1	14.2	-174.2	-53.2	-58.9	-178	-172.5	0	114.6	Y76 K77	Y76-K80 WeakPolarHBondContact CE2-O 3.24Å; Y76-K80 VanDerWaalsContact O-CA 3.25Å; Y76-K80 WeakPolarHBondContact O-CA 3.38Å; Y76-K80 PolarHBondContact O-N 3.02Å; K77-K80 PolarHBondContact O-NZ 3.38Å
81	L	83.1	Confident	84.5	Confident	105 Å²	105	67.7 Å²	67.7	55%	0.55	32%	0.324	S	S	.	.			trans	-105.1	120.4	174.6	-178.7	68.6	0	0	0	108.7	K79	K79-L81 PolarHBondContact O-N 3.36Å
82	W	81.5	Confident	84.9	Confident	39 Å²	39	66.9 Å²	66.9	15%	0.148	33%	0.329	C	S	.	.			trans	-90.3	116	173.3	-166	-82.8	0	0	0	109.6	N72 E73 Y76 R316 P318	N72-W82 HydrophobicContact CB-CZ2 4.42Å; E73-W82 HydrophobicContact CG-CH2 4.11Å; E73-W82 HydrophobicContact CG-CZ3 4.45Å; Y76-W82 HydrophobicContact CD1-CE3 4.19Å; Y76-W82 HydrophobicContact CD1-CZ3 4.36Å; Y76-W82 HydrophobicContact CD2-CB 3.96Å; Y76-W82 HydrophobicContact CD2-CD2 4.49Å; Y76-W82 AromaticContact CD2-CE3 3.7Å; Y76-W82 HydrophobicContact CD2-CE3 3.7Å; Y76-W82 HydrophobicContact CE2-CB 4.32Å; Y76-W82 HydrophobicContact CE2-CE3 4.42Å; Y76-W82 AromaticContact CG-CE3 3.57Å; Y76-W82 HydrophobicContact CG-CE3 3.57Å; Y76-W82 HydrophobicContact CG-CZ3 4.04Å; W82-R316 HydrophobicContact CB-CB 4.25Å; W82-R316 HydrophobicContact CB-CG 4.26Å; W82-R316 HydrophobicContact CD2-CB 4.06Å; W82-R316 HydrophobicContact CG-CB 3.75Å; W82-R316 HydrophobicContact CG-CG 4.25Å; W82-R316 PolarHBondContact NE1-O 3.02Å; W82-R316 VanDerWaalsContact NE1-O 3.09Å; W82-P318 HydrophobicContact CH2-CB 4.08Å; W82-P318 VanDerWaalsContact CZ2-CA 3.48Å; W82-P318 HydrophobicContact CZ2-CB 3.41Å; W82-P318 VanDerWaalsContact CZ2-CB 3.41Å
83	L	83	Confident	85.2	Confident	74 Å²	74	66.7 Å²	66.7	39%	0.387	33%	0.328	S	S	.	.			trans	-139.2	145.2	173.9	-174.8	69.7	0	0	0	107.6	N72 W85 V88	N72-L83 PolarHBondContact OD1-O 3.19Å; L83-W85 VanDerWaalsContact C-N 3.29Å; L83-W85 HydrophobicContact CB-CZ2 4.41Å; L83-W85 HydrophobicContact CD2-CD2 4.09Å; L83-W85 HydrophobicContact CD2-CE3 4.18Å; L83-W85 HydrophobicContact CD2-CH2 4.04Å; L83-W85 HydrophobicContact CD2-CZ2 3.94Å; L83-W85 HydrophobicContact CD2-CZ3 4.16Å; L83-W85 PolarHBondContact O-N 3.18Å; L83-V88 HydrophobicContact CD2-CG2 3.96Å
84	D	82.1	Confident	85.6	Confident	54 Å²	54	68.4 Å²	68.4	29%	0.289	35%	0.345	S	S	.	.			trans	-75.5	86.6	169.4	-172.8	4.2	0	0	0	109.7	N72 S86 L87	N72-D84 PolarHBondContact ND2-OD1 2.9Å; D84-S86 VanDerWaalsContact CG-OG 3.29Å; D84-S86 PolarHBondContact O-N 2.87Å; D84-S86 VanDerWaalsContact OD1-CB 3.23Å; D84-S86 WeakPolarHBondContact OD1-CB 3.48Å; D84-S86 PolarHBondContact OD1-N 3.29Å; D84-S86 VanDerWaalsContact OD1-N 3.14Å; D84-S86 PolarHBondContact OD1-OG 2.68Å; D84-S86 PolarHBondContact OD2-OG 3.21Å; D84-L87 PolarHBondContact O-N 3.41Å
85	W	82.8	Confident	86	Confident	80 Å²	80	69.5 Å²	69.5	30%	0.303	36%	0.356	S	S	.	.	H	α-helix	trans	-67.5	-12.3	179.8	-65.2	95.7	0	0	0	112.3	F68 F71 N72 I75 L83 V88 L89	F68-W85 HydrophobicContact CE1-CB 3.91Å; F68-W85 HydrophobicContact CZ-CB 4.38Å; F68-W85 WeakPolarHBondContact CZ-O 3.29Å; F71-W85 HydrophobicContact CD1-CB 4.07Å; F71-W85 HydrophobicContact CE1-CB 3.76Å; F71-W85 HydrophobicContact CE1-CG 4.26Å; N72-W85 VanDerWaalsContact OD1-CB 3.3Å; N72-W85 WeakPolarHBondContact OD1-CB 3.43Å; N72-W85 PolarHBondContact OD1-N 3.2Å; I75-W85 HydrophobicContact CG2-CZ2 4.21Å; I75-W85 VanDerWaalsContact CG2-NE1 3.34Å; L83-W85 VanDerWaalsContact C-N 3.29Å; L83-W85 HydrophobicContact CB-CZ2 4.41Å; L83-W85 HydrophobicContact CD2-CD2 4.09Å; L83-W85 HydrophobicContact CD2-CE3 4.18Å; L83-W85 HydrophobicContact CD2-CH2 4.04Å; L83-W85 HydrophobicContact CD2-CZ2 3.94Å; L83-W85 HydrophobicContact CD2-CZ3 4.16Å; L83-W85 PolarHBondContact O-N 3.18Å; W85-V88 HydrophobicContact CE3-CB 4.42Å; W85-V88 HydrophobicContact CE3-CG1 4.41Å; W85-V88 PolarHBondContact O-N 2.81Å; W85-L89 WeakPolarHBondContact O-CB 3.46Å; W85-L89 PolarHBondContact O-N 2.81Å
86	S	80.9	Confident	86.4	Confident	21 Å²	21	69.6 Å²	69.6	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-48.6	178.4	78.2	0	0	0	0	109.8	F68 D84 V88 L89 L90	F68-S86 VanDerWaalsContact CD1-CA 3.48Å; F68-S86 VanDerWaalsContact CE1-CB 3.46Å; F68-S86 VanDerWaalsContact CG-CB 3.48Å; D84-S86 VanDerWaalsContact CG-OG 3.29Å; D84-S86 PolarHBondContact O-N 2.87Å; D84-S86 VanDerWaalsContact OD1-CB 3.23Å; D84-S86 WeakPolarHBondContact OD1-CB 3.48Å; D84-S86 PolarHBondContact OD1-N 3.29Å; D84-S86 VanDerWaalsContact OD1-N 3.14Å; D84-S86 PolarHBondContact OD1-OG 2.68Å; D84-S86 PolarHBondContact OD2-OG 3.21Å; S86-V88 VanDerWaalsContact C-N 3.34Å; S86-V88 PolarHBondContact O-N 3.18Å; S86-L89 PolarHBondContact O-N 2.55Å; S86-L90 WeakPolarHBondContact O-CB 3.22Å; S86-L90 VanDerWaalsContact O-CG 3.26Å; S86-L90 WeakPolarHBondContact O-CG 3.4Å; S86-L90 PolarHBondContact O-N 3.31Å
87	L	83.9	Confident	86.9	Confident	97 Å²	97	69.9 Å²	69.9	51%	0.508	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-43.3	177.9	-175.5	62.5	0	0	0	110.9	D84 L90 I91	D84-L87 PolarHBondContact O-N 3.41Å; L87-L90 PolarHBondContact O-N 3.01Å; L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CD2-CD1 4.45Å; L87-I91 HydrophobicContact CG-CD1 3.72Å; L87-I91 HydrophobicContact CG-CG1 4.4Å; L87-I91 VanDerWaalsContact O-CB 3.31Å; L87-I91 WeakPolarHBondContact O-CB 3.36Å; L87-I91 WeakPolarHBondContact O-CG1 3.19Å; L87-I91 PolarHBondContact O-N 3.29Å
88	V	87.3	Confident	87.4	Confident	64 Å²	64	69.6 Å²	69.6	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-47.1	177.6	-179.9	0	0	0	0	111.1	L83 W85 S86 I91 A92	L83-V88 HydrophobicContact CD2-CG2 3.96Å; W85-V88 HydrophobicContact CE3-CB 4.42Å; W85-V88 HydrophobicContact CE3-CG1 4.41Å; W85-V88 PolarHBondContact O-N 2.81Å; S86-V88 VanDerWaalsContact C-N 3.34Å; S86-V88 PolarHBondContact O-N 3.18Å; V88-I91 PolarHBondContact O-N 3.04Å; V88-A92 VanDerWaalsContact O-CB 3.29Å; V88-A92 WeakPolarHBondContact O-CB 3.29Å; V88-A92 PolarHBondContact O-N 2.97Å
89	L	85.8	Confident	87.9	Confident	56 Å²	56	66.4 Å²	66.4	29%	0.293	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-43.7	179.9	-169.5	73.2	0	0	0	111.7	W57 F68 W85 S86 A92 T93	W57-L89 HydrophobicContact CZ2-CD1 4.09Å; W57-L89 HydrophobicContact CZ2-CD2 4.16Å; W57-L89 HydrophobicContact CZ2-CG 4.39Å; F68-L89 HydrophobicContact CE2-CB 4.34Å; F68-L89 HydrophobicContact CE2-CD2 3.59Å; F68-L89 HydrophobicContact CZ-CB 4.1Å; F68-L89 HydrophobicContact CZ-CD2 3.98Å; W85-L89 WeakPolarHBondContact O-CB 3.46Å; W85-L89 PolarHBondContact O-N 2.81Å; S86-L89 PolarHBondContact O-N 2.55Å; L89-A92 PolarHBondContact O-N 2.74Å; L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.4Å; L89-T93 PolarHBondContact O-N 3.06Å; L89-T93 PolarHBondContact O-OG1 3.49Å
90	L	87.6	Confident	88.3	Confident	48 Å²	48	58.8 Å²	58.8	25%	0.251	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-44.3	178.2	-73.6	175.9	0	0	0	111.5	M62 L65 S86 L87 T93 A94	M62-L90 HydrophobicContact SD-CD2 4.14Å; L65-L90 HydrophobicContact CD2-CD1 3.86Å; L65-L90 HydrophobicContact CD2-CD2 4.26Å; L65-L90 HydrophobicContact CD2-CG 4.25Å; S86-L90 WeakPolarHBondContact O-CB 3.22Å; S86-L90 VanDerWaalsContact O-CG 3.26Å; S86-L90 WeakPolarHBondContact O-CG 3.4Å; S86-L90 PolarHBondContact O-N 3.31Å; L87-L90 PolarHBondContact O-N 3.01Å; L90-T93 PolarHBondContact O-N 2.85Å; L90-A94 VanDerWaalsContact O-CB 3.29Å; L90-A94 WeakPolarHBondContact O-CB 3.3Å; L90-A94 PolarHBondContact O-N 2.94Å
91	I	91.3	Very high	88.8	Confident	94 Å²	94	54.5 Å²	54.5	48%	0.482	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-48.2	176.1	-70.7	169.8	0	0	0	110.2	L87 V88 T93 A94 V95	L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CD2-CD1 4.45Å; L87-I91 HydrophobicContact CG-CD1 3.72Å; L87-I91 HydrophobicContact CG-CG1 4.4Å; L87-I91 VanDerWaalsContact O-CB 3.31Å; L87-I91 WeakPolarHBondContact O-CB 3.36Å; L87-I91 WeakPolarHBondContact O-CG1 3.19Å; L87-I91 PolarHBondContact O-N 3.29Å; V88-I91 PolarHBondContact O-N 3.04Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 3.45Å; I91-A94 PolarHBondContact O-N 3.37Å; I91-V95 HydrophobicContact CG2-CG2 4.4Å; I91-V95 VanDerWaalsContact O-CG2 3.32Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 3.21Å
92	A	91.7	Very high	89.3	Confident	46 Å²	46	53.3 Å²	53.3	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-46.4	177.9	0	0	0	0	0	110.9	V88 L89 A94 V95 L96	V88-A92 VanDerWaalsContact O-CB 3.29Å; V88-A92 WeakPolarHBondContact O-CB 3.29Å; V88-A92 PolarHBondContact O-N 2.97Å; L89-A92 PolarHBondContact O-N 2.74Å; A92-A94 PolarHBondContact O-N 2.88Å; A92-V95 PolarHBondContact O-N 2.95Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.38Å; A92-L96 PolarHBondContact O-N 3.37Å
93	T	91.9	Very high	89.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-45.8	177.3	-60.1	0	0	0	0	111.8	W57 L58 L89 L90 I91 V95 L96 I97	W57-T93 PolarHBondContact NE1-OG1 3.47Å; L58-T93 HydrophobicContact CB-CG2 3.91Å; L58-T93 HydrophobicContact CD1-CG2 3.98Å; L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.4Å; L89-T93 PolarHBondContact O-N 3.06Å; L89-T93 PolarHBondContact O-OG1 3.49Å; L90-T93 PolarHBondContact O-N 2.85Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 3.45Å; T93-V95 VanDerWaalsContact C-N 3.35Å; T93-V95 PolarHBondContact O-N 2.76Å; T93-L96 PolarHBondContact O-N 3.14Å; T93-I97 HydrophobicContact CG2-CD1 3.67Å; T93-I97 WeakPolarHBondContact O-CD1 3.5Å; T93-I97 WeakPolarHBondContact O-CG1 3.24Å; T93-I97 PolarHBondContact O-N 3.05Å
94	A	93.5	Very high	90.2	Very high	47 Å²	47	49 Å²	49	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178.2	0	0	0	0	0	112.1	L90 I91 A92 T98	L90-A94 VanDerWaalsContact O-CB 3.29Å; L90-A94 WeakPolarHBondContact O-CB 3.3Å; L90-A94 PolarHBondContact O-N 2.94Å; I91-A94 PolarHBondContact O-N 3.37Å; A92-A94 PolarHBondContact O-N 2.88Å; A94-T98 VanDerWaalsContact O-CB 3.23Å; A94-T98 WeakPolarHBondContact O-CB 3.31Å; A94-T98 PolarHBondContact O-N 3.09Å; A94-T98 PolarHBondContact O-OG1 2.79Å
95	V	94.9	Very high	90.5	Very high	90 Å²	90	50.5 Å²	50.5	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-48.5	175.8	169.6	0	0	0	0	110.9	I91 A92 T93 I97 T98 Y99	I91-V95 HydrophobicContact CG2-CG2 4.4Å; I91-V95 VanDerWaalsContact O-CG2 3.32Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 3.21Å; A92-V95 PolarHBondContact O-N 2.95Å; T93-V95 VanDerWaalsContact C-N 3.35Å; T93-V95 PolarHBondContact O-N 2.76Å; V95-I97 VanDerWaalsContact C-N 3.33Å; V95-I97 PolarHBondContact O-N 3.3Å; V95-T98 PolarHBondContact O-N 3.09Å; V95-Y99 VanDerWaalsContact O-CB 3.24Å; V95-Y99 WeakPolarHBondContact O-CB 3.41Å; V95-Y99 PolarHBondContact O-N 2.85Å
96	L	93.5	Very high	90.7	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-41.5	-179.4	-66.9	177.7	0	0	0	112.1	T54 A92 T93 S100 T130 V133 V134	T54-L96 HydrophobicContact CG2-CB 4.5Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.38Å; A92-L96 PolarHBondContact O-N 3.37Å; T93-L96 PolarHBondContact O-N 3.14Å; L96-S100 PolarHBondContact O-N 2.89Å; L96-S100 VanDerWaalsContact O-N 3.14Å; L96-S100 PolarHBondContact O-OG 3.13Å; L96-T130 HydrophobicContact CB-CG2 4.05Å; L96-T130 HydrophobicContact CD1-CG2 4.43Å; L96-T130 HydrophobicContact CD2-CG2 3.98Å; L96-T130 HydrophobicContact CG-CG2 4.36Å; L96-V133 HydrophobicContact CD1-CG1 4.09Å; L96-V134 HydrophobicContact CD1-CG2 4.26Å
97	I	93.7	Very high	90.9	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-72.7	-45.4	179.7	-68.7	164.6	0	0	0	111.5	F51 T54 L58 T93 V95 Y99 S100 A101	F51-I97 HydrophobicContact CE2-CG2 4.38Å; T54-I97 VanDerWaalsContact O-CD1 3.3Å; T54-I97 WeakPolarHBondContact O-CD1 3.44Å; L58-I97 HydrophobicContact CB-CD1 3.31Å; L58-I97 HydrophobicContact CD1-CD1 4.39Å; L58-I97 HydrophobicContact CD2-CD1 3.75Å; L58-I97 HydrophobicContact CG-CD1 4.01Å; T93-I97 HydrophobicContact CG2-CD1 3.67Å; T93-I97 WeakPolarHBondContact O-CD1 3.5Å; T93-I97 WeakPolarHBondContact O-CG1 3.24Å; T93-I97 PolarHBondContact O-N 3.05Å; V95-I97 VanDerWaalsContact C-N 3.33Å; V95-I97 PolarHBondContact O-N 3.3Å; I97-Y99 PolarHBondContact O-N 2.85Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 PolarHBondContact O-OG 3.28Å; I97-S100 VanDerWaalsContact O-OG 3.08Å; I97-A101 WeakPolarHBondContact O-CB 3.31Å; I97-A101 PolarHBondContact O-N 2.85Å
98	T	94.7	Very high	90.9	Very high	86 Å²	86	45 Å²	45	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-42.1	179	-57.7	0	0	0	0	110	A94 V95 A101 V102	A94-T98 VanDerWaalsContact O-CB 3.23Å; A94-T98 WeakPolarHBondContact O-CB 3.31Å; A94-T98 PolarHBondContact O-N 3.09Å; A94-T98 PolarHBondContact O-OG1 2.79Å; V95-T98 PolarHBondContact O-N 3.09Å; T98-A101 PolarHBondContact O-N 3.32Å; T98-V102 HydrophobicContact CG2-CG2 4.36Å; T98-V102 WeakPolarHBondContact O-CB 3.45Å; T98-V102 VanDerWaalsContact O-CG2 3.23Å; T98-V102 WeakPolarHBondContact O-CG2 3.49Å; T98-V102 PolarHBondContact O-N 3.2Å
99	Y	94.5	Very high	90.6	Very high	57 Å²	57	44 Å²	44	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-50.6	176.8	175.7	-103.4	0	0	0	112.7	V95 I97 V102 L103 H123 L126 L127	V95-Y99 VanDerWaalsContact O-CB 3.24Å; V95-Y99 WeakPolarHBondContact O-CB 3.41Å; V95-Y99 PolarHBondContact O-N 2.85Å; I97-Y99 PolarHBondContact O-N 2.85Å; Y99-V102 PolarHBondContact O-N 3.25Å; Y99-L103 HydrophobicContact CD1-CD1 4.33Å; Y99-L103 HydrophobicContact CE1-CD1 3.66Å; Y99-L103 HydrophobicContact CE2-CD1 4.13Å; Y99-L103 HydrophobicContact CE2-CG 4.5Å; Y99-L103 PolarHBondContact O-N 3.02Å; Y99-L103 VanDerWaalsContact O-N 3.16Å; Y99-H123 AromaticContact CZ-ND1 3.78Å; Y99-H123 WeakPolarHBondContact OH-CA 3.44Å; Y99-H123 PolarHBondContact OH-ND1 3.36Å; Y99-L126 HydrophobicContact CE1-CB 3.85Å; Y99-L126 HydrophobicContact CE2-CD1 4.16Å; Y99-L126 WeakPolarHBondContact OH-CB 3.2Å; Y99-L126 VanDerWaalsContact OH-CD1 3.28Å; Y99-L126 WeakPolarHBondContact OH-CD1 3.41Å; Y99-L127 HydrophobicContact CE1-CD2 4.3Å
100	S	94.1	Very high	90.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-36.8	179.5	63.4	0	0	0	0	112.2	T54 L96 I97 L103 L104	T54-S100 PolarHBondContact OG1-OG 2.65Å; L96-S100 PolarHBondContact O-N 2.89Å; L96-S100 VanDerWaalsContact O-N 3.14Å; L96-S100 PolarHBondContact O-OG 3.13Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 PolarHBondContact O-OG 3.28Å; I97-S100 VanDerWaalsContact O-OG 3.08Å; S100-L103 PolarHBondContact O-N 2.82Å; S100-L104 WeakPolarHBondContact O-CB 3.38Å; S100-L104 PolarHBondContact O-N 2.71Å
101	A	93.3	Very high	89.7	Confident	28 Å²	28	42.4 Å²	42.4	23%	0.231	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-47.8	175.4	0	0	0	0	0	112.1	F51 I97 T98 L103 L104 V105	F51-A101 HydrophobicContact CD2-CB 4.09Å; F51-A101 HydrophobicContact CE2-CB 3.73Å; I97-A101 WeakPolarHBondContact O-CB 3.31Å; I97-A101 PolarHBondContact O-N 2.85Å; T98-A101 PolarHBondContact O-N 3.32Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 3.38Å; A101-L104 PolarHBondContact O-N 2.97Å; A101-L104 VanDerWaalsContact O-N 3.14Å; A101-V105 WeakPolarHBondContact O-CG2 3.44Å; A101-V105 PolarHBondContact O-N 2.92Å
102	V	93.2	Very high	88.8	Confident	80 Å²	80	43.8 Å²	43.8	49%	0.485	26%	0.258	S	S	.	.	H	α-helix	trans	-59.5	-45.3	177.5	168	0	0	0	0	110.4	T98 Y99 L104 V105 L106	T98-V102 HydrophobicContact CG2-CG2 4.36Å; T98-V102 WeakPolarHBondContact O-CB 3.45Å; T98-V102 VanDerWaalsContact O-CG2 3.23Å; T98-V102 WeakPolarHBondContact O-CG2 3.49Å; T98-V102 PolarHBondContact O-N 3.2Å; Y99-V102 PolarHBondContact O-N 3.25Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.31Å; V102-V105 PolarHBondContact O-N 2.82Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.39Å; V102-L106 WeakPolarHBondContact O-CB 3.24Å; V102-L106 VanDerWaalsContact O-CG 3.25Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 3.26Å
103	L	92.6	Very high	87.8	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-39.3	175.8	-74.4	-179.8	0	0	0	112.5	Y19 L47 Y99 S100 A101 L106 A107 L119 H123 L127	Y19-L103 HydrophobicContact CD2-CD2 4.32Å; Y19-L103 WeakPolarHBondContact CE2-O 3.47Å; L47-L103 HydrophobicContact CD1-CB 3.8Å; L47-L103 HydrophobicContact CD1-CD1 4.29Å; L47-L103 HydrophobicContact CD2-CB 3.92Å; Y99-L103 HydrophobicContact CD1-CD1 4.33Å; Y99-L103 HydrophobicContact CE1-CD1 3.66Å; Y99-L103 HydrophobicContact CE2-CD1 4.13Å; Y99-L103 HydrophobicContact CE2-CG 4.5Å; Y99-L103 PolarHBondContact O-N 3.02Å; Y99-L103 VanDerWaalsContact O-N 3.16Å; S100-L103 PolarHBondContact O-N 2.82Å; A101-L103 VanDerWaalsContact C-N 3.33Å; A101-L103 PolarHBondContact O-N 3.38Å; L103-L106 PolarHBondContact O-N 2.91Å; L103-A107 WeakPolarHBondContact O-CB 3.34Å; L103-A107 PolarHBondContact O-N 3.23Å; L103-L119 HydrophobicContact CD2-CD1 4.46Å; L103-H123 HydrophobicContact CD1-CB 4.21Å; L103-L127 HydrophobicContact CD1-CD1 4.44Å; L103-L127 HydrophobicContact CD1-CD2 4.24Å; L103-L127 HydrophobicContact CD1-CG 4.36Å
104	L	90.9	Very high	86.6	Confident	20 Å²	20	46.5 Å²	46.5	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-44.5	178.4	-175	64.3	0	0	0	111.3	F44 F48 F51 S100 A101 V102 A107 L108	F44-L104 HydrophobicContact CE2-CD1 3.98Å; F44-L104 HydrophobicContact CZ-CD1 4.25Å; F48-L104 HydrophobicContact CB-CD1 4.43Å; F48-L104 HydrophobicContact CD2-CD1 4.27Å; F48-L104 HydrophobicContact CD2-CD2 4.2Å; F51-L104 HydrophobicContact CB-CD2 4.4Å; F51-L104 HydrophobicContact CD1-CD2 3.7Å; F51-L104 HydrophobicContact CE1-CD2 4.16Å; F51-L104 HydrophobicContact CG-CD2 4.02Å; S100-L104 WeakPolarHBondContact O-CB 3.38Å; S100-L104 PolarHBondContact O-N 2.71Å; A101-L104 PolarHBondContact O-N 2.97Å; A101-L104 VanDerWaalsContact O-N 3.14Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.31Å; L104-A107 WeakPolarHBondContact O-CB 3.18Å; L104-A107 PolarHBondContact O-N 3.13Å; L104-L108 HydrophobicContact CG-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 2.06Å
105	V	88.5	Confident	85.6	Confident	84 Å²	84	47.7 Å²	47.7	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.1	172.1	0	0	0	0	110.7	A101 V102 A107 L108 C109	A101-V105 WeakPolarHBondContact O-CG2 3.44Å; A101-V105 PolarHBondContact O-N 2.92Å; V102-V105 PolarHBondContact O-N 2.82Å; V105-A107 VanDerWaalsContact C-N 3.31Å; V105-A107 PolarHBondContact O-N 2.81Å; V105-L108 PolarHBondContact O-N 2.87Å; V105-C109 WeakPolarHBondContact O-CB 3.5Å; V105-C109 PolarHBondContact O-N 2.84Å; V105-C109 PolarHBondContact O-SG 3.13Å
106	L	87.6	Confident	84.7	Confident	21 Å²	21	44.1 Å²	44.1	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-44.3	175.3	-72.1	174.2	0	0	0	111.6	L15 L18 Y19 V102 L103 C109 L110	L15-L106 HydrophobicContact CD2-CD2 3.43Å; L15-L106 VanDerWaalsContact CD2-CD2 3.43Å; L18-L106 HydrophobicContact CB-CD1 4.08Å; L18-L106 HydrophobicContact CD1-CD2 4.47Å; Y19-L106 HydrophobicContact CD2-CB 3.97Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.39Å; V102-L106 WeakPolarHBondContact O-CB 3.24Å; V102-L106 VanDerWaalsContact O-CG 3.25Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 3.26Å; L103-L106 PolarHBondContact O-N 2.91Å; L106-C109 PolarHBondContact O-N 2.81Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.1Å
107	A	85.2	Confident	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-45.3	176.9	0	0	0	0	0	112.1	Y19 F44 L47 L103 L104 V105 L110 Q111 L117	Y19-A107 HydrophobicContact CE2-CB 3.71Å; F44-A107 HydrophobicContact CD2-CB 3.69Å; F44-A107 HydrophobicContact CE2-CB 3.6Å; L47-A107 HydrophobicContact CD2-CB 4.47Å; L103-A107 WeakPolarHBondContact O-CB 3.34Å; L103-A107 PolarHBondContact O-N 3.23Å; L104-A107 WeakPolarHBondContact O-CB 3.18Å; L104-A107 PolarHBondContact O-N 3.13Å; V105-A107 VanDerWaalsContact C-N 3.31Å; V105-A107 PolarHBondContact O-N 2.81Å; A107-L110 PolarHBondContact O-N 3.07Å; A107-Q111 WeakPolarHBondContact O-CB 3.28Å; A107-Q111 PolarHBondContact O-N 3.4Å; A107-L117 HydrophobicContact CB-CD2 4Å; A107-L117 VanDerWaalsContact O-CD2 3.3Å; A107-L117 WeakPolarHBondContact O-CD2 3.44Å
108	L	83.1	Confident	83.6	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-44.5	176.8	-68.9	172.3	0	0	0	111.5	F44 L104 V105 L110 Q111 L112	F44-L108 HydrophobicContact CZ-CD2 4.21Å; L104-L108 HydrophobicContact CG-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 2.06Å; V105-L108 PolarHBondContact O-N 2.87Å; L108-L110 PolarHBondContact O-N 2.9Å; L108-Q111 PolarHBondContact O-N 2.83Å; L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.1Å
109	C	81.2	Confident	83.3	Confident	43 Å²	43	41.8 Å²	41.8	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-42.6	175.7	-69.4	0	0	0	0	112.1	L15 V105 L106 L112 C113	L15-C109 HydrophobicContact CD1-CB 4.09Å; V105-C109 WeakPolarHBondContact O-CB 3.5Å; V105-C109 PolarHBondContact O-N 2.84Å; V105-C109 PolarHBondContact O-SG 3.13Å; L106-C109 PolarHBondContact O-N 2.81Å; C109-L112 PolarHBondContact O-N 3.06Å; C109-C113 WeakPolarHBondContact O-CB 3.32Å; C109-C113 PolarHBondContact O-N 3.42Å; C109-C113 PolarHBondContact O-SG 3.19Å
110	L	78.1	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-41.9	175.7	-73.7	170.9	0	0	0	111.7	L15 L16 Y19 L106 A107 L108 C113 G114 Q115 L117	L15-L110 HydrophobicContact CB-CD2 4.02Å; L15-L110 HydrophobicContact CB-CG 4.48Å; L16-L110 HydrophobicContact CB-CD2 4.15Å; L16-L110 HydrophobicContact CD1-CD2 4.16Å; Y19-L110 HydrophobicContact CD1-CD1 3.73Å; Y19-L110 HydrophobicContact CD2-CD1 4.31Å; Y19-L110 HydrophobicContact CE1-CD1 4.49Å; Y19-L110 HydrophobicContact CG-CD1 3.61Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.48Å; L106-L110 PolarHBondContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 3.07Å; L108-L110 PolarHBondContact O-N 2.9Å; L110-C113 CarbonylContact O-C 3.48Å; L110-C113 PolarHBondContact O-N 2.83Å; L110-G114 PolarHBondContact O-N 2.87Å; L110-G114 VanDerWaalsContact O-N 3.1Å; L110-Q115 HydrophobicContact CB-CB 4.25Å; L110-Q115 HydrophobicContact CD2-CB 3.75Å; L110-Q115 HydrophobicContact CD2-CG 4.19Å; L110-Q115 PolarHBondContact O-N 2.94Å; L110-L117 HydrophobicContact CB-CD2 3.96Å
111	Q	75.6	Confident	82.7	Confident	70 Å²	70	49.3 Å²	49.3	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-41.2	176.4	-171.9	176.5	-2	0	0	111.9	A107 L108 C113 G114	A107-Q111 WeakPolarHBondContact O-CB 3.28Å; A107-Q111 PolarHBondContact O-N 3.4Å; L108-Q111 PolarHBondContact O-N 2.83Å; Q111-C113 VanDerWaalsContact C-N 3.3Å; Q111-C113 PolarHBondContact O-N 2.91Å; Q111-G114 PolarHBondContact O-N 3.26Å; Q111-G114 VanDerWaalsContact O-N 3.14Å
112	L	72.4	Confident	82.6	Confident	123 Å²	123	50.5 Å²	50.5	64%	0.644	27%	0.274	S	S	*	.	H	α-helix	trans	-62.5	-37.8	174.1	-71.2	172.9	0	0	0	111.9	L108 C109 G114	L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.1Å; C109-L112 PolarHBondContact O-N 3.06Å; L112-G114 PolarHBondContact O-N 3.01Å
113	C	71.6	Confident	82.6	Confident	47 Å²	47	47.8 Å²	47.8	32%	0.318	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	2.1	176.4	-62.5	0	0	0	0	114	T12 C109 L110 Q111 Q115	T12-C113 HydrophobicContact CG2-CB 3.66Å; T12-C113 VanDerWaalsContact CG2-SG 3.58Å; C109-C113 WeakPolarHBondContact O-CB 3.32Å; C109-C113 PolarHBondContact O-N 3.42Å; C109-C113 PolarHBondContact O-SG 3.19Å; L110-C113 CarbonylContact O-C 3.48Å; L110-C113 PolarHBondContact O-N 2.83Å; Q111-C113 VanDerWaalsContact C-N 3.3Å; Q111-C113 PolarHBondContact O-N 2.91Å; C113-Q115 HydrophobicContact CB-CG 3.97Å; C113-Q115 PolarHBondContact O-N 2.84Å; C113-Q115 PolarHBondContact O-NE2 3.4Å
114	G	67.1	Low	82.6	Confident	58 Å²	58	49.8 Å²	49.8	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25.1	-178.4	0	0	0	0	0	114.3	L110 Q111 L112	L110-G114 PolarHBondContact O-N 2.87Å; L110-G114 VanDerWaalsContact O-N 3.1Å; Q111-G114 PolarHBondContact O-N 3.26Å; Q111-G114 VanDerWaalsContact O-N 3.14Å; L112-G114 PolarHBondContact O-N 3.01Å
115	Q	72.6	Confident	82.7	Confident	71 Å²	71	51.7 Å²	51.7	33%	0.332	28%	0.28	S	S	.	.			trans	-91.8	155.6	-179.9	-61.8	-56.1	-55.4	0	0	111.6	L110 C113	L110-Q115 HydrophobicContact CB-CB 4.25Å; L110-Q115 HydrophobicContact CD2-CB 3.75Å; L110-Q115 HydrophobicContact CD2-CG 4.19Å; L110-Q115 PolarHBondContact O-N 2.94Å; C113-Q115 HydrophobicContact CB-CG 3.97Å; C113-Q115 PolarHBondContact O-N 2.84Å; C113-Q115 PolarHBondContact O-NE2 3.4Å
116	P	75.8	Confident	83	Confident	16 Å²	16	51 Å²	51	10%	0.104	27%	0.273	C	S	.	.			trans	-71.7	138.4	178.4	29	-35.1	0	0	0	112.7	L34 K118	L34-P116 HydrophobicContact CB-CB 4.46Å; L34-P116 HydrophobicContact CB-CG 4.12Å; P116-K118 VanDerWaalsContact C-N 3.27Å; P116-K118 HydrophobicContact CB-CG 4.41Å; P116-K118 PolarHBondContact O-N 2.68Å
117	L	81.4	Confident	83.4	Confident	12 Å²	12	50 Å²	50	6%	0.063	27%	0.268	C	S	.	.			trans	-84.1	56	178	-61.7	175.3	0	0	0	112.5	Y19 T36 F44 A107 L110 L119	Y19-L117 HydrophobicContact CE1-CB 4.34Å; T36-L117 HydrophobicContact CG2-CB 3.86Å; T36-L117 HydrophobicContact CG2-CG 4.21Å; F44-L117 HydrophobicContact CB-CD1 4.26Å; F44-L117 HydrophobicContact CD2-CD1 4.08Å; F44-L117 HydrophobicContact CG-CD1 4.15Å; A107-L117 HydrophobicContact CB-CD2 4Å; A107-L117 VanDerWaalsContact O-CD2 3.3Å; A107-L117 WeakPolarHBondContact O-CD2 3.44Å; L110-L117 HydrophobicContact CB-CD2 3.96Å; L117-L119 PolarHBondContact O-N 3.49Å; L117-L119 VanDerWaalsContact O-N 3.14Å
118	K	82.9	Confident	83.9	Confident	71 Å²	71	53.7 Å²	53.7	31%	0.309	29%	0.287	S	S	.	.			trans	-82.6	93.8	178.4	-71.8	-165.3	176.8	-170.2	0	111.5	S20 L34 P116	S20-K118 WeakPolarHBondContact CA-O 3.3Å; S20-K118 WeakPolarHBondContact CB-O 3.27Å; L34-K118 HydrophobicContact CD2-CD 3.78Å; L34-K118 VanDerWaalsContact CD2-CE 3.44Å; L34-K118 VanDerWaalsContact CG-NZ 3.34Å; P116-K118 VanDerWaalsContact C-N 3.27Å; P116-K118 HydrophobicContact CB-CG 4.41Å; P116-K118 PolarHBondContact O-N 2.68Å
119	L	86.8	Confident	84.5	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.052	30%	0.295	C	S	.	.			trans	-73.5	128.4	176.5	-169.1	68.5	0	0	0	111	Y19 W43 L103 L117 H123 K124 L127	Y19-L119 HydrophobicContact CD1-CD1 4.41Å; Y19-L119 HydrophobicContact CD2-CD1 4.17Å; Y19-L119 HydrophobicContact CE1-CB 3.93Å; Y19-L119 HydrophobicContact CE1-CD1 3.95Å; Y19-L119 HydrophobicContact CE2-CD1 3.68Å; W43-L119 HydrophobicContact CB-CD2 4.44Å; W43-L119 HydrophobicContact CE3-CD2 4.32Å; L103-L119 HydrophobicContact CD2-CD1 4.46Å; L117-L119 PolarHBondContact O-N 3.49Å; L117-L119 VanDerWaalsContact O-N 3.14Å; L119-H123 HydrophobicContact CD1-CB 3.6Å; L119-H123 HydrophobicContact CD2-CB 4.34Å; L119-H123 HydrophobicContact CG-CB 3.86Å; L119-K124 HydrophobicContact CD2-CG 3.83Å; L119-K124 HydrophobicContact CG-CG 4.16Å; L119-K124 VanDerWaalsContact O-CE 3.23Å; L119-K124 WeakPolarHBondContact O-CE 3.43Å; L119-L127 HydrophobicContact CD2-CD1 3.74Å
120	H	88.1	Confident	85.2	Confident	41 Å²	41	53.6 Å²	53.6	19%	0.19	28%	0.283	C	S	.	.			trans	-65.8	153	178.4	-167.1	-112.2	0	0	0	112.9	Y19 S20 C21 V122 H123 K124	Y19-H120 PolarHBondContact O-N 3.17Å; S20-H120 PolarHBondContact O-CD2 3.48Å; C21-H120 HydrophobicContact CB-CB 3.98Å; C21-H120 VanDerWaalsContact SG-CB 3.59Å; H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 WeakPolarHBondContact ND1-CB 3.09Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.1Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 3.22Å; H120-H123 PolarHBondContact O-N 2.95Å; H120-H123 VanDerWaalsContact O-N 3.15Å; H120-K124 WeakPolarHBondContact O-CG 3.24Å; H120-K124 PolarHBondContact O-N 3.02Å; H120-K124 VanDerWaalsContact O-N 3.09Å
121	W	88.1	Confident	86	Confident	173 Å²	173	54.6 Å²	54.6	66%	0.655	29%	0.292	S	S	*	.	H	α-helix	trans	-62.1	-34.9	-178.4	74.3	-91.1	0	0	0	112.8	H123 K124 S125	W121-H123 PolarHBondContact O-N 3.11Å; W121-K124 WeakPolarHBondContact O-CB 2.97Å; W121-K124 PolarHBondContact O-N 2.58Å; W121-S125 PolarHBondContact O-N 3.34Å; W121-S125 PolarHBondContact O-OG 3.17Å
122	V	91.9	Very high	87	Confident	53 Å²	53	56.5 Å²	56.5	32%	0.321	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-46	174.9	174.1	0	0	0	0	110.8	H120 K124 S125 L126	H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 WeakPolarHBondContact ND1-CB 3.09Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.1Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 3.22Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.14Å; V122-S125 PolarHBondContact O-N 2.8Å; V122-L126 HydrophobicContact CG1-CD1 3.95Å; V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 3.41Å
123	H	93.4	Very high	88.1	Confident	24 Å²	24	54 Å²	54	11%	0.111	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-38.3	178	-64.7	-49.9	0	0	0	112	L18 Y19 C21 Y99 L103 L119 H120 W121 L126 L127	L18-H123 PolarHBondContact O-NE2 3.28Å; Y19-H123 PolarHBondContact O-CD2 3.16Å; C21-H123 PolarHBondContact SG-NE2 2.94Å; Y99-H123 AromaticContact CZ-ND1 3.78Å; Y99-H123 WeakPolarHBondContact OH-CA 3.44Å; Y99-H123 PolarHBondContact OH-ND1 3.36Å; L103-H123 HydrophobicContact CD1-CB 4.21Å; L119-H123 HydrophobicContact CD1-CB 3.6Å; L119-H123 HydrophobicContact CD2-CB 4.34Å; L119-H123 HydrophobicContact CG-CB 3.86Å; H120-H123 PolarHBondContact O-N 2.95Å; H120-H123 VanDerWaalsContact O-N 3.15Å; W121-H123 PolarHBondContact O-N 3.11Å; H123-L126 PolarHBondContact O-N 2.92Å; H123-L127 WeakPolarHBondContact O-CB 3.34Å; H123-L127 VanDerWaalsContact O-CG 3.25Å; H123-L127 WeakPolarHBondContact O-CG 3.47Å; H123-L127 PolarHBondContact O-N 2.73Å
124	K	92.8	Very high	89.2	Confident	45 Å²	45	51.9 Å²	51.9	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-48.4	173.6	-67.4	176.4	175.8	-179.7	0	111.4	W43 L119 H120 W121 V122 L127 I128	W43-K124 VanDerWaalsContact CD1-CE 3.5Å; W43-K124 HydrophobicContact CD2-CD 3.84Å; W43-K124 HydrophobicContact CD2-CG 3.74Å; W43-K124 HydrophobicContact CE3-CB 4.17Å; W43-K124 HydrophobicContact CE3-CD 4.29Å; W43-K124 HydrophobicContact CE3-CG 3.69Å; W43-K124 HydrophobicContact CG-CD 4.33Å; W43-K124 HydrophobicContact CG-CG 4.46Å; W43-K124 HydrophobicContact CH2-CB 3.59Å; W43-K124 HydrophobicContact CH2-CD 4.14Å; W43-K124 HydrophobicContact CH2-CG 3.84Å; W43-K124 HydrophobicContact CZ2-CB 4.03Å; W43-K124 HydrophobicContact CZ2-CD 3.69Å; W43-K124 HydrophobicContact CZ2-CG 3.91Å; W43-K124 HydrophobicContact CZ3-CB 3.67Å; W43-K124 HydrophobicContact CZ3-CD 4.42Å; W43-K124 HydrophobicContact CZ3-CG 3.73Å; L119-K124 HydrophobicContact CD2-CG 3.83Å; L119-K124 HydrophobicContact CG-CG 4.16Å; L119-K124 VanDerWaalsContact O-CE 3.23Å; L119-K124 WeakPolarHBondContact O-CE 3.43Å; H120-K124 WeakPolarHBondContact O-CG 3.24Å; H120-K124 PolarHBondContact O-N 3.02Å; H120-K124 VanDerWaalsContact O-N 3.09Å; W121-K124 WeakPolarHBondContact O-CB 2.97Å; W121-K124 PolarHBondContact O-N 2.58Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.14Å; K124-L127 PolarHBondContact O-N 2.71Å; K124-I128 WeakPolarHBondContact O-CG1 3.16Å; K124-I128 PolarHBondContact O-N 2.78Å
125	S	93.3	Very high	90.6	Very high	60 Å²	60	50.9 Å²	50.9	42%	0.42	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-45.5	177	-62.4	0	0	0	0	112.2	W121 V122 L127 I128 L129	W121-S125 PolarHBondContact O-N 3.34Å; W121-S125 PolarHBondContact O-OG 3.17Å; V122-S125 PolarHBondContact O-N 2.8Å; S125-L127 PolarHBondContact O-N 2.96Å; S125-I128 PolarHBondContact O-N 2.97Å; S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.39Å
126	L	94.4	Very high	91.6	Very high	71 Å²	71	50.6 Å²	50.6	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-35.5	178.2	-73	172.8	0	0	0	112.7	Y99 V122 H123 L129 T130	Y99-L126 HydrophobicContact CE1-CB 3.85Å; Y99-L126 HydrophobicContact CE2-CD1 4.16Å; Y99-L126 WeakPolarHBondContact OH-CB 3.2Å; Y99-L126 VanDerWaalsContact OH-CD1 3.28Å; Y99-L126 WeakPolarHBondContact OH-CD1 3.41Å; V122-L126 HydrophobicContact CG1-CD1 3.95Å; V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 3.41Å; H123-L126 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.25Å; L126-T130 WeakPolarHBondContact O-CB 3.45Å; L126-T130 PolarHBondContact O-N 2.87Å; L126-T130 PolarHBondContact O-OG1 3.33Å
127	L	95.3	Very high	92.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-41.6	174.7	-72.9	172.2	0	0	0	112.1	F46 L47 V50 Y99 L103 L119 H123 K124 S125 L129 T130 A131	F46-L127 HydrophobicContact CD1-CB 4.37Å; F46-L127 HydrophobicContact CE1-CB 3.89Å; L47-L127 HydrophobicContact CB-CD1 3.99Å; L47-L127 HydrophobicContact CD1-CD1 3.84Å; L47-L127 HydrophobicContact CD1-CD2 3.54Å; L47-L127 HydrophobicContact CD1-CG 4.33Å; L47-L127 HydrophobicContact CG-CD1 4.45Å; V50-L127 HydrophobicContact CB-CD2 4.39Å; V50-L127 HydrophobicContact CG1-CD2 4.01Å; Y99-L127 HydrophobicContact CE1-CD2 4.3Å; L103-L127 HydrophobicContact CD1-CD1 4.44Å; L103-L127 HydrophobicContact CD1-CD2 4.24Å; L103-L127 HydrophobicContact CD1-CG 4.36Å; L119-L127 HydrophobicContact CD2-CD1 3.74Å; H123-L127 WeakPolarHBondContact O-CB 3.34Å; H123-L127 VanDerWaalsContact O-CG 3.25Å; H123-L127 WeakPolarHBondContact O-CG 3.47Å; H123-L127 PolarHBondContact O-N 2.73Å; K124-L127 PolarHBondContact O-N 2.71Å; S125-L127 PolarHBondContact O-N 2.96Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-T130 WeakPolarHBondContact O-CB 3.31Å; L127-T130 PolarHBondContact O-N 2.7Å; L127-A131 PolarHBondContact O-N 3.15Å
128	I	96	Very high	92.8	Very high	76 Å²	76	51.9 Å²	51.9	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.4	-68.5	165.8	0	0	0	109.8	W43 F46 K124 S125 T130 A131 L132	W43-I128 HydrophobicContact CH2-CD1 3.92Å; W43-I128 HydrophobicContact CH2-CG1 4.33Å; F46-I128 HydrophobicContact CE1-CG1 4.06Å; F46-I128 HydrophobicContact CZ-CG1 4.18Å; K124-I128 WeakPolarHBondContact O-CG1 3.16Å; K124-I128 PolarHBondContact O-N 2.78Å; S125-I128 PolarHBondContact O-N 2.97Å; I128-T130 VanDerWaalsContact C-N 3.3Å; I128-T130 PolarHBondContact O-N 3.03Å; I128-A131 PolarHBondContact O-N 2.98Å; I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 2.97Å
129	L	95.6	Very high	93.2	Very high	98 Å²	98	52.4 Å²	52.4	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-58.5	-43.8	177.4	-179.7	62.5	0	0	0	111.4	S125 L126 L127 A131 L132 V133	S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.39Å; L126-L129 PolarHBondContact O-N 3.25Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 2.97Å; L129-L132 PolarHBondContact O-N 3.3Å; L129-V133 HydrophobicContact CD1-CG2 4.19Å; L129-V133 HydrophobicContact CG-CG2 4.39Å; L129-V133 VanDerWaalsContact O-CG2 3.32Å; L129-V133 WeakPolarHBondContact O-CG2 3.32Å; L129-V133 PolarHBondContact O-N 3.42Å
130	T	95.4	Very high	93.2	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-48.7	176.2	-59.9	0	0	0	0	111	V50 T54 L96 L126 L127 I128 L132 V133 V134	V50-T130 HydrophobicContact CG1-CG2 3.82Å; T54-T130 HydrophobicContact CG2-CG2 3.5Å; T54-T130 VanDerWaalsContact CG2-CG2 3.5Å; L96-T130 HydrophobicContact CB-CG2 4.05Å; L96-T130 HydrophobicContact CD1-CG2 4.43Å; L96-T130 HydrophobicContact CD2-CG2 3.98Å; L96-T130 HydrophobicContact CG-CG2 4.36Å; L126-T130 WeakPolarHBondContact O-CB 3.45Å; L126-T130 PolarHBondContact O-N 2.87Å; L126-T130 PolarHBondContact O-OG1 3.33Å; L127-T130 WeakPolarHBondContact O-CB 3.31Å; L127-T130 PolarHBondContact O-N 2.7Å; I128-T130 VanDerWaalsContact C-N 3.3Å; I128-T130 PolarHBondContact O-N 3.03Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.3Å; T130-V133 PolarHBondContact O-N 2.93Å; T130-V134 WeakPolarHBondContact O-CG2 3.37Å; T130-V134 PolarHBondContact O-N 3.44Å
131	A	96.3	Very high	93.2	Very high	21 Å²	21	52.5 Å²	52.5	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-43.2	177.2	0	0	0	0	0	112.2	F46 V50 L127 I128 L129 A135	F46-A131 HydrophobicContact CZ-CB 4.34Å; V50-A131 HydrophobicContact CG2-CB 4.1Å; L127-A131 PolarHBondContact O-N 3.15Å; I128-A131 PolarHBondContact O-N 2.98Å; L129-A131 PolarHBondContact O-N 2.97Å; A131-A135 VanDerWaalsContact O-CB 3.24Å; A131-A135 WeakPolarHBondContact O-CB 3.3Å; A131-A135 PolarHBondContact O-N 3.42Å
132	L	96.7	Very high	93.1	Very high	111 Å²	111	45.8 Å²	45.8	58%	0.581	29%	0.288	S	S	*	.	H	α-helix	trans	-65.8	-43	178.8	-69.9	174.2	0	0	0	112.3	I128 L129 T130 A135 A136	I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 2.97Å; L129-L132 PolarHBondContact O-N 3.3Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 3.3Å; L132-A135 PolarHBondContact O-N 3.01Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.47Å
133	V	94.9	Very high	93	Very high	70 Å²	70	49.3 Å²	49.3	42%	0.424	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-47.1	177.4	169.6	0	0	0	0	110.6	L96 L129 T130 A136 A137	L96-V133 HydrophobicContact CD1-CG1 4.09Å; L129-V133 HydrophobicContact CD1-CG2 4.19Å; L129-V133 HydrophobicContact CG-CG2 4.39Å; L129-V133 VanDerWaalsContact O-CG2 3.32Å; L129-V133 WeakPolarHBondContact O-CG2 3.32Å; L129-V133 PolarHBondContact O-N 3.42Å; T130-V133 PolarHBondContact O-N 2.93Å; V133-A136 PolarHBondContact O-N 2.88Å; V133-A137 WeakPolarHBondContact O-CB 3.44Å; V133-A137 PolarHBondContact O-N 3.31Å
134	V	95.4	Very high	92.5	Very high	2 Å²	2	55 Å²	55	1%	0.012	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-40.7	178.5	177.2	0	0	0	0	111.3	F53 T54 W57 L96 T130 A137 F138	F53-V134 HydrophobicContact CD1-CB 3.87Å; F53-V134 HydrophobicContact CD1-CG1 3.59Å; F53-V134 HydrophobicContact CD2-CG1 4.39Å; F53-V134 HydrophobicContact CE1-CB 3.65Å; F53-V134 HydrophobicContact CE1-CG1 3.41Å; F53-V134 VanDerWaalsContact CE1-CG1 3.41Å; F53-V134 HydrophobicContact CE2-CG1 4.23Å; F53-V134 HydrophobicContact CG-CG1 4.1Å; F53-V134 HydrophobicContact CZ-CB 4.39Å; F53-V134 HydrophobicContact CZ-CG1 3.75Å; T54-V134 HydrophobicContact CG2-CG2 3.88Å; W57-V134 HydrophobicContact CB-CG1 3.57Å; W57-V134 HydrophobicContact CD2-CG1 4.41Å; W57-V134 HydrophobicContact CG-CG1 3.89Å; W57-V134 HydrophobicContact CG-CG2 4.49Å; L96-V134 HydrophobicContact CD1-CG2 4.26Å; T130-V134 WeakPolarHBondContact O-CG2 3.37Å; T130-V134 PolarHBondContact O-N 3.44Å; V134-A137 WeakPolarHBondContact O-CB 3.45Å; V134-A137 PolarHBondContact O-N 2.65Å; V134-F138 HydrophobicContact CG1-CD2 3.85Å; V134-F138 HydrophobicContact CG1-CE2 3.69Å; V134-F138 WeakPolarHBondContact O-CD2 3.43Å; V134-F138 PolarHBondContact O-N 3.48Å
135	A	95.6	Very high	92.2	Very high	37 Å²	37	54.2 Å²	54.2	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.5	0	0	0	0	0	111.5	F53 A131 L132 A137 F138 T139	F53-A135 HydrophobicContact CE1-CB 4.15Å; F53-A135 HydrophobicContact CZ-CB 4.24Å; A131-A135 VanDerWaalsContact O-CB 3.24Å; A131-A135 WeakPolarHBondContact O-CB 3.3Å; A131-A135 PolarHBondContact O-N 3.42Å; L132-A135 PolarHBondContact O-N 3.01Å; A135-A137 VanDerWaalsContact C-N 3.27Å; A135-A137 PolarHBondContact O-N 2.86Å; A135-F138 PolarHBondContact O-N 3.34Å; A135-T139 PolarHBondContact O-N 3.18Å; A135-T139 PolarHBondContact O-OG1 3.07Å
136	A	93.8	Very high	91.8	Very high	65 Å²	65	53.9 Å²	53.9	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-37.1	175.5	0	0	0	0	0	112	L132 V133 T139 G140	L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 3.47Å; V133-A136 PolarHBondContact O-N 2.88Å; A136-T139 PolarHBondContact O-N 3.46Å; A136-G140 PolarHBondContact O-N 2.86Å
137	A	90.4	Very high	91.3	Very high	28 Å²	28	55 Å²	55	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-44.5	176.6	0	0	0	0	0	112	W57 V133 V134 A135 G140 L141	W57-A137 HydrophobicContact CD2-CB 4.23Å; W57-A137 HydrophobicContact CE3-CB 4.03Å; W57-A137 HydrophobicContact CH2-CB 3.41Å; W57-A137 VanDerWaalsContact CH2-CB 3.41Å; W57-A137 HydrophobicContact CZ2-CB 3.6Å; W57-A137 HydrophobicContact CZ3-CB 3.62Å; V133-A137 WeakPolarHBondContact O-CB 3.44Å; V133-A137 PolarHBondContact O-N 3.31Å; V134-A137 WeakPolarHBondContact O-CB 3.45Å; V134-A137 PolarHBondContact O-N 2.65Å; A135-A137 VanDerWaalsContact C-N 3.27Å; A135-A137 PolarHBondContact O-N 2.86Å; A137-G140 PolarHBondContact O-N 3.45Å; A137-L141 PolarHBondContact O-N 3.12Å
138	F	92.3	Very high	91	Very high	27 Å²	27	55 Å²	55	12%	0.118	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-40.6	172.1	-82.8	-65.2	0	0	0	112.9	F53 V56 W57 F60 V134 A135 L141 G142 W149	F53-F138 HydrophobicContact CD2-CE2 4.13Å; F53-F138 AromaticContact CE2-CD2 3.62Å; F53-F138 HydrophobicContact CE2-CD2 3.62Å; F53-F138 AromaticContact CE2-CE2 3.53Å; F53-F138 HydrophobicContact CE2-CE2 3.53Å; F53-F138 AromaticContact CZ-CD2 3.64Å; F53-F138 HydrophobicContact CZ-CD2 3.64Å; F53-F138 AromaticContact CZ-CE2 3.95Å; F53-F138 HydrophobicContact CZ-CE2 3.95Å; V56-F138 HydrophobicContact CG1-CZ 4.05Å; W57-F138 HydrophobicContact CB-CE2 3.92Å; W57-F138 HydrophobicContact CB-CZ 4.09Å; W57-F138 HydrophobicContact CE3-CD1 4.15Å; W57-F138 HydrophobicContact CE3-CD2 4.03Å; W57-F138 AromaticContact CE3-CE1 3.97Å; W57-F138 HydrophobicContact CE3-CE1 3.97Å; W57-F138 AromaticContact CE3-CE2 3.86Å; W57-F138 HydrophobicContact CE3-CE2 3.86Å; W57-F138 HydrophobicContact CE3-CG 4.17Å; W57-F138 AromaticContact CE3-CZ 3.82Å; W57-F138 HydrophobicContact CE3-CZ 3.82Å; W57-F138 HydrophobicContact CZ3-CD1 4.33Å; W57-F138 HydrophobicContact CZ3-CE1 4.46Å; W57-F138 HydrophobicContact CZ3-CG 4.45Å; F60-F138 HydrophobicContact CB-CE1 4.35Å; F60-F138 HydrophobicContact CD1-CE1 4.4Å; F60-F138 AromaticContact CD2-CE1 3.84Å; F60-F138 HydrophobicContact CD2-CE1 3.84Å; F60-F138 HydrophobicContact CD2-CZ 4.16Å; F60-F138 HydrophobicContact CE2-CE1 4.24Å; F60-F138 AromaticContact CG-CE1 3.94Å; F60-F138 HydrophobicContact CG-CE1 3.94Å; V134-F138 HydrophobicContact CG1-CD2 3.85Å; V134-F138 HydrophobicContact CG1-CE2 3.69Å; V134-F138 WeakPolarHBondContact O-CD2 3.43Å; V134-F138 PolarHBondContact O-N 3.48Å; A135-F138 PolarHBondContact O-N 3.34Å; F138-L141 PolarHBondContact O-N 3.45Å; F138-G142 PolarHBondContact O-N 3.42Å; F138-W149 AromaticContact CD1-CH2 3.89Å; F138-W149 HydrophobicContact CD1-CH2 3.89Å; F138-W149 HydrophobicContact CD1-CZ2 4.16Å; F138-W149 HydrophobicContact CE1-CH2 4.16Å
139	T	91.4	Very high	90.6	Very high	83 Å²	83	56.5 Å²	56.5	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-43.6	175.3	-57.7	0	0	0	0	111.3	A135 A136 L141 G142 I143	A135-T139 PolarHBondContact O-N 3.18Å; A135-T139 PolarHBondContact O-OG1 3.07Å; A136-T139 PolarHBondContact O-N 3.46Å; T139-L141 VanDerWaalsContact C-N 3.35Å; T139-L141 PolarHBondContact O-N 3.18Å; T139-G142 PolarHBondContact O-N 3.1Å; T139-I143 HydrophobicContact CG2-CD1 3.69Å; T139-I143 HydrophobicContact CG2-CG1 4.4Å; T139-I143 WeakPolarHBondContact O-CG1 3.25Å; T139-I143 PolarHBondContact O-N 3.24Å
140	G	87.3	Confident	90.4	Very high	37 Å²	37	56.7 Å²	56.7	38%	0.381	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-45.5	175.3	0	0	0	0	0	112.2	A136 A137 I143 K144	A136-G140 PolarHBondContact O-N 2.86Å; A137-G140 PolarHBondContact O-N 3.45Å; G140-I143 PolarHBondContact O-N 2.83Å; G140-K144 PolarHBondContact O-N 3.21Å
141	L	86.8	Confident	90.2	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-48.5	174.8	-168.5	74.2	0	0	0	111.2	F60 I64 A137 F138 T139 I143 W145 A146 E148	F60-L141 HydrophobicContact CD1-CD2 4.07Å; I64-L141 HydrophobicContact CD1-CD1 3.43Å; I64-L141 VanDerWaalsContact CD1-CD1 3.43Å; I64-L141 HydrophobicContact CD1-CD2 3.97Å; I64-L141 HydrophobicContact CD1-CG 4.38Å; I64-L141 HydrophobicContact CG1-CD1 4.35Å; A137-L141 PolarHBondContact O-N 3.12Å; F138-L141 PolarHBondContact O-N 3.45Å; T139-L141 VanDerWaalsContact C-N 3.35Å; T139-L141 PolarHBondContact O-N 3.18Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 PolarHBondContact O-N 3.36Å; L141-W145 HydrophobicContact CD1-CB 3.89Å; L141-W145 CarbonylContact O-C 3.49Å; L141-W145 VanDerWaalsContact O-CA 3.31Å; L141-W145 WeakPolarHBondContact O-CA 3.2Å; L141-W145 PolarHBondContact O-N 3.3Å; L141-A146 PolarHBondContact O-N 3.47Å; L141-E148 HydrophobicContact CD1-CB 3.94Å; L141-E148 HydrophobicContact CD1-CG 4.13Å; L141-E148 HydrophobicContact CG-CB 4.38Å
142	G	87.2	Confident	90	Very high	33 Å²	33	55.6 Å²	55.6	34%	0.34	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-31.8	-179.1	0	0	0	0	0	114.7	F138 T139	F138-G142 PolarHBondContact O-N 3.42Å; T139-G142 PolarHBondContact O-N 3.1Å
143	I	88.3	Confident	89.7	Confident	127 Å²	127	58 Å²	58	65%	0.651	32%	0.316	S	S	*	.	H	α-helix	trans	-83.8	-39.9	-178.7	-66.7	170.6	0	0	0	111.8	T139 G140 L141	T139-I143 HydrophobicContact CG2-CD1 3.69Å; T139-I143 HydrophobicContact CG2-CG1 4.4Å; T139-I143 WeakPolarHBondContact O-CG1 3.25Å; T139-I143 PolarHBondContact O-N 3.24Å; G140-I143 PolarHBondContact O-N 2.83Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 PolarHBondContact O-N 3.36Å
144	K	84.7	Confident	89.7	Confident	142 Å²	142	55.5 Å²	55.5	62%	0.617	30%	0.3	S	S	*	.	H	α-helix	trans	-105.8	-24	-168.7	-71.1	-67	-171.5	-178.3	0	114.1	G140	G140-K144 PolarHBondContact O-N 3.21Å
145	W	84.6	Confident	89.6	Confident	30 Å²	30	55.7 Å²	55.7	11%	0.114	30%	0.302	C	S	.	.			trans	-140.3	48.7	-167.7	-71.8	65.7	0	0	0	109.6	D67 N70 F71 L141 E147 E148	D67-W145 HydrophobicContact CB-CZ3 4.16Å; N70-W145 HydrophobicContact CB-CH2 3.81Å; N70-W145 HydrophobicContact CB-CZ3 4.45Å; F71-W145 VanDerWaalsContact CA-CH2 3.46Å; F71-W145 HydrophobicContact CB-CH2 3.56Å; F71-W145 HydrophobicContact CB-CZ2 3.77Å; F71-W145 HydrophobicContact CB-CZ3 4.31Å; F71-W145 HydrophobicContact CD2-CH2 4.37Å; F71-W145 AromaticContact CD2-CZ2 3.81Å; F71-W145 HydrophobicContact CD2-CZ2 3.81Å; F71-W145 HydrophobicContact CG-CH2 4.49Å; F71-W145 HydrophobicContact CG-CZ2 4.29Å; F71-W145 VanDerWaalsContact N-CH2 3.26Å; L141-W145 HydrophobicContact CD1-CB 3.89Å; L141-W145 CarbonylContact O-C 3.49Å; L141-W145 VanDerWaalsContact O-CA 3.31Å; L141-W145 WeakPolarHBondContact O-CA 3.2Å; L141-W145 PolarHBondContact O-N 3.3Å; W145-E147 PolarHBondContact O-N 3.1Å; W145-E148 HydrophobicContact CB-CG 3.98Å; W145-E148 HydrophobicContact CE3-CG 3.88Å; W145-E148 WeakPolarHBondContact O-CB 3.24Å; W145-E148 PolarHBondContact O-N 2.76Å
146	A	86.5	Confident	89.5	Confident	53 Å²	53	58 Å²	58	44%	0.438	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.7	-173.7	0	0	0	0	0	112.5	L141 E148 W149	L141-A146 PolarHBondContact O-N 3.47Å; A146-E148 PolarHBondContact O-N 3.28Å; A146-W149 PolarHBondContact O-N 3.4Å
147	E	84.2	Confident	89.5	Confident	93 Å²	93	57 Å²	57	44%	0.435	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27	172.6	55.6	-93.7	-166.8	0	0	113.7	W145 W149 R150	W145-E147 PolarHBondContact O-N 3.1Å; E147-W149 PolarHBondContact O-N 3.5Å; E147-W149 VanDerWaalsContact O-N 3.15Å; E147-R150 WeakPolarHBondContact O-CA 2.96Å; E147-R150 WeakPolarHBondContact O-CB 3.28Å; E147-R150 WeakPolarHBondContact O-CG 3.4Å; E147-R150 PolarHBondContact O-N 3.39Å
148	E	87.9	Confident	89.5	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-19.9	-177.1	-64.7	-57	156.3	0	0	113.7	I64 L141 W145 A146 R150 S151 A152	I64-E148 HydrophobicContact CG1-CB 4.2Å; I64-E148 HydrophobicContact CG1-CG 4.21Å; L141-E148 HydrophobicContact CD1-CB 3.94Å; L141-E148 HydrophobicContact CD1-CG 4.13Å; L141-E148 HydrophobicContact CG-CB 4.38Å; W145-E148 HydrophobicContact CB-CG 3.98Å; W145-E148 HydrophobicContact CE3-CG 3.88Å; W145-E148 WeakPolarHBondContact O-CB 3.24Å; W145-E148 PolarHBondContact O-N 2.76Å; A146-E148 PolarHBondContact O-N 3.28Å; E148-R150 PolarHBondContact O-N 3.26Å; E148-S151 WeakPolarHBondContact O-CB 3.41Å; E148-S151 PolarHBondContact O-N 2.89Å; E148-S151 WeakPolarHBondContact OE2-CB 3.25Å; E148-S151 PolarHBondContact OE2-OG 3.28Å; E148-A152 PolarHBondContact O-N 2.89Å
149	W	87.4	Confident	89.5	Confident	107 Å²	107	55.3 Å²	55.3	41%	0.405	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-29.7	168.8	-70.2	101.8	0	0	0	112	F60 F138 A146 E147 R153	F60-W149 HydrophobicContact CE1-CD2 4.22Å; F60-W149 AromaticContact CE1-CE3 3.51Å; F60-W149 HydrophobicContact CE1-CE3 3.51Å; F60-W149 HydrophobicContact CE1-CH2 4.2Å; F60-W149 AromaticContact CE1-CZ3 3.51Å; F60-W149 HydrophobicContact CE1-CZ3 3.51Å; F60-W149 HydrophobicContact CE2-CZ3 4.2Å; F60-W149 AromaticContact CZ-CE3 3.6Å; F60-W149 HydrophobicContact CZ-CE3 3.6Å; F60-W149 HydrophobicContact CZ-CH2 4.14Å; F60-W149 AromaticContact CZ-CZ3 3.27Å; F60-W149 HydrophobicContact CZ-CZ3 3.27Å; F138-W149 AromaticContact CD1-CH2 3.89Å; F138-W149 HydrophobicContact CD1-CH2 3.89Å; F138-W149 HydrophobicContact CD1-CZ2 4.16Å; F138-W149 HydrophobicContact CE1-CH2 4.16Å; A146-W149 PolarHBondContact O-N 3.4Å; E147-W149 PolarHBondContact O-N 3.5Å; E147-W149 VanDerWaalsContact O-N 3.15Å; W149-R153 PolarHBondContact O-N 2.89Å
150	R	90.7	Very high	89.6	Confident	101 Å²	101	51.9 Å²	51.9	38%	0.381	26%	0.262	S	S	.	.	H	α-helix	trans	-73.1	-40.8	173.7	-51.2	-169.1	-177.1	163.7	6.8	110.7	E147 E148 A152 R153 I154 Q430 D431	E147-R150 WeakPolarHBondContact O-CA 2.96Å; E147-R150 WeakPolarHBondContact O-CB 3.28Å; E147-R150 WeakPolarHBondContact O-CG 3.4Å; E147-R150 PolarHBondContact O-N 3.39Å; E148-R150 PolarHBondContact O-N 3.26Å; R150-A152 VanDerWaalsContact C-N 3.26Å; R150-A152 PolarHBondContact O-N 3.2Å; R150-R153 WeakPolarHBondContact O-CB 2.97Å; R150-R153 PolarHBondContact O-N 2.91Å; R150-I154 WeakPolarHBondContact O-CG1 3.03Å; R150-I154 PolarHBondContact O-N 3.13Å; R150-Q430 HydrophobicContact CB-CB 4.04Å; R150-Q430 HydrophobicContact CB-CG 4.45Å; R150-Q430 WeakPolarHBondContact CD-O 3.46Å; R150-Q430 PolarHBondContact NH1-O 3.3Å; R150-D431 IonicContact CZ-OD1 3.26Å; R150-D431 IonicContact NH1-OD1 3.68Å; R150-D431 PolarHBondContact NH1-OD1 3.37Å
151	S	92.1	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-42.8	172.5	-42.7	0	0	0	0	111.3	E148 R153 I154 S155 Y429	E148-S151 WeakPolarHBondContact O-CB 3.41Å; E148-S151 PolarHBondContact O-N 2.89Å; E148-S151 WeakPolarHBondContact OE2-CB 3.25Å; E148-S151 PolarHBondContact OE2-OG 3.28Å; S151-R153 PolarHBondContact O-N 3.4Å; S151-I154 PolarHBondContact O-N 2.94Å; S151-S155 PolarHBondContact O-N 2.83Å; S151-Y429 PolarHBondContact OG-OH 3.14Å
152	A	91.3	Very high	90	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-39.1	176	0	0	0	0	0	112.9	F60 E148 R150 S155 L156	F60-A152 HydrophobicContact CD1-CB 3.96Å; F60-A152 HydrophobicContact CE1-CB 3.29Å; F60-A152 HydrophobicContact CZ-CB 3.64Å; E148-A152 PolarHBondContact O-N 2.89Å; R150-A152 VanDerWaalsContact C-N 3.26Å; R150-A152 PolarHBondContact O-N 3.2Å; A152-S155 PolarHBondContact O-N 3.01Å; A152-L156 WeakPolarHBondContact O-CG 3.32Å; A152-L156 PolarHBondContact O-N 2.98Å
153	R	91.5	Very high	90.2	Very high	161 Å²	161	55.5 Å²	55.5	61%	0.608	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-40.3	173.7	-69.6	-171.6	-62.2	-174.3	3.1	112.2	W149 R150 S151 L156 Q157	W149-R153 PolarHBondContact O-N 2.89Å; R150-R153 WeakPolarHBondContact O-CB 2.97Å; R150-R153 PolarHBondContact O-N 2.91Å; S151-R153 PolarHBondContact O-N 3.4Å; R153-L156 PolarHBondContact O-N 2.94Å; R153-Q157 PolarHBondContact O-N 2.87Å
154	I	93.7	Very high	90.4	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.097	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-44.7	175.2	-63.3	168	0	0	0	110	R150 S151 L156 Q157 A158 Y429 W456 L457 V460	R150-I154 WeakPolarHBondContact O-CG1 3.03Å; R150-I154 PolarHBondContact O-N 3.13Å; S151-I154 PolarHBondContact O-N 2.94Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.26Å; I154-Q157 VanDerWaalsContact O-CB 3.32Å; I154-Q157 WeakPolarHBondContact O-CB 3.14Å; I154-Q157 PolarHBondContact O-N 2.84Å; I154-A158 PolarHBondContact O-N 2.6Å; I154-Y429 HydrophobicContact CD1-CD2 3.81Å; I154-Y429 HydrophobicContact CD1-CE2 4.14Å; I154-W456 HydrophobicContact CG2-CZ3 4.47Å; I154-L457 HydrophobicContact CG2-CD1 3.78Å; I154-V460 HydrophobicContact CG2-CG1 4.01Å
155	S	94.4	Very high	90.8	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-35.8	176.1	-175.9	0	0	0	0	112.6	Y59 V63 S151 A152 Q157 A158 T159	Y59-S155 VanDerWaalsContact OH-C 3.23Å; Y59-S155 VanDerWaalsContact OH-CB 3.3Å; Y59-S155 WeakPolarHBondContact OH-CB 3.43Å; Y59-S155 PolarHBondContact OH-OG 3.25Å; V63-S155 VanDerWaalsContact CG2-CB 3.46Å; V63-S155 WeakPolarHBondContact CG2-OG 3.44Å; S151-S155 PolarHBondContact O-N 2.83Å; A152-S155 PolarHBondContact O-N 3.01Å; S155-Q157 VanDerWaalsContact C-N 3.28Å; S155-Q157 PolarHBondContact O-N 3.24Å; S155-A158 WeakPolarHBondContact O-CA 3.4Å; S155-A158 WeakPolarHBondContact O-CB 3.21Å; S155-A158 PolarHBondContact O-N 3.4Å; S155-T159 PolarHBondContact O-N 3.17Å; S155-T159 PolarHBondContact O-OG1 2.81Å
156	L	93.1	Very high	91.2	Very high	85 Å²	85	46.8 Å²	46.8	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-29.1	174.9	-74.8	171.3	0	0	0	112.8	Y59 A152 R153 I154 A158 G160 L163	Y59-L156 HydrophobicContact CE1-CD2 4.29Å; Y59-L156 HydrophobicContact CE1-CG 4.43Å; Y59-L156 WeakPolarHBondContact OH-CD2 3.28Å; Y59-L156 WeakPolarHBondContact OH-CG 3.44Å; Y59-L156 PolarHBondContact OH-N 3.43Å; A152-L156 WeakPolarHBondContact O-CG 3.32Å; A152-L156 PolarHBondContact O-N 2.98Å; R153-L156 PolarHBondContact O-N 2.94Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.26Å; L156-A158 PolarHBondContact O-N 2.76Å; L156-G160 VanDerWaalsContact O-CA 3.28Å; L156-G160 WeakPolarHBondContact O-CA 3.39Å; L156-G160 PolarHBondContact O-N 3.33Å; L156-L163 HydrophobicContact CD2-CD1 3.98Å
157	Q	93.1	Very high	91.5	Very high	44 Å²	44	48.4 Å²	48.4	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-31.8	171.1	-61.9	179.4	13.2	0	0	111.2	R153 I154 S155 S214 S434	R153-Q157 PolarHBondContact O-N 2.87Å; I154-Q157 VanDerWaalsContact O-CB 3.32Å; I154-Q157 WeakPolarHBondContact O-CB 3.14Å; I154-Q157 PolarHBondContact O-N 2.84Å; S155-Q157 VanDerWaalsContact C-N 3.28Å; S155-Q157 PolarHBondContact O-N 3.24Å; Q157-S214 WeakPolarHBondContact O-CB 3.32Å; Q157-S214 PolarHBondContact O-OG 2.88Å; Q157-S434 PolarHBondContact OE1-OG 3.48Å
158	A	91.2	Very high	92.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-79.7	-49.1	177.6	0	0	0	0	0	112.1	I154 S155 L156 V460 W485	I154-A158 PolarHBondContact O-N 2.6Å; S155-A158 WeakPolarHBondContact O-CA 3.4Å; S155-A158 WeakPolarHBondContact O-CB 3.21Å; S155-A158 PolarHBondContact O-N 3.4Å; L156-A158 PolarHBondContact O-N 2.76Å; A158-V460 HydrophobicContact CB-CG2 3.31Å; A158-W485 HydrophobicContact CB-CD2 4.11Å; A158-W485 HydrophobicContact CB-CG 3.92Å
159	T	92.9	Very high	92.4	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-93.3	-17.9	-167.2	59	0	0	0	0	113.4	Y59 S155 F162 L163 W485	Y59-T159 HydrophobicContact CE2-CG2 4.38Å; Y59-T159 PolarHBondContact OH-OG1 2.78Å; Y59-T159 VanDerWaalsContact OH-OG1 3.07Å; S155-T159 PolarHBondContact O-N 3.17Å; S155-T159 PolarHBondContact O-OG1 2.81Å; T159-F162 PolarHBondContact O-N 2.9Å; T159-L163 WeakPolarHBondContact O-CG 3.22Å; T159-L163 PolarHBondContact O-N 3.02Å; T159-L163 WeakPolarHBondContact OG1-CD1 3.25Å; T159-W485 HydrophobicContact CG2-CH2 4.09Å; T159-W485 HydrophobicContact CG2-CZ2 4.12Å
160	G	92.7	Very high	92.6	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-48	-52.8	-177.4	0	0	0	0	0	114.4	L156 F162 L163 H164	L156-G160 VanDerWaalsContact O-CA 3.28Å; L156-G160 WeakPolarHBondContact O-CA 3.39Å; L156-G160 PolarHBondContact O-N 3.33Å; G160-F162 PolarHBondContact O-N 3.31Å; G160-L163 PolarHBondContact O-N 3.48Å; G160-H164 WeakPolarHBondContact O-CB 3.19Å; G160-H164 PolarHBondContact O-N 3.33Å
161	P	90.6	Very high	92.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-52.2	-39.6	176.1	-31.7	39.3	0	0	0	113.9	I165 I212 L217 Y492	P161-I165 WeakPolarHBondContact O-CD1 3.33Å; P161-I165 WeakPolarHBondContact O-CG1 2.98Å; P161-I212 HydrophobicContact CG-CG2 3.92Å; P161-L217 HydrophobicContact CG-CD1 4.37Å; P161-Y492 HydrophobicContact CB-CD2 4.05Å; P161-Y492 HydrophobicContact CB-CE2 3.5Å; P161-Y492 HydrophobicContact CG-CE2 4.26Å
162	F	91.1	Very high	92.9	Very high	87 Å²	87	40.3 Å²	40.3	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-83.9	-37.5	-176.4	-53.5	-83.9	0	0	0	112.3	T159 G160 H164 I165 G166 W485 L487	T159-F162 PolarHBondContact O-N 2.9Å; G160-F162 PolarHBondContact O-N 3.31Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3Å; F162-I165 PolarHBondContact O-N 3.07Å; F162-G166 PolarHBondContact O-N 2.87Å; F162-W485 AromaticContact CD2-CE3 3.87Å; F162-W485 HydrophobicContact CD2-CE3 3.87Å; F162-W485 AromaticContact CD2-CZ3 3.75Å; F162-W485 HydrophobicContact CD2-CZ3 3.75Å; F162-W485 AromaticContact CE2-CE3 3.4Å; F162-W485 HydrophobicContact CE2-CE3 3.4Å; F162-W485 AromaticContact CE2-CZ3 3.74Å; F162-W485 HydrophobicContact CE2-CZ3 3.74Å; F162-W485 HydrophobicContact CG-CZ3 4.39Å; F162-W485 HydrophobicContact CZ-CE3 4.01Å; F162-W485 HydrophobicContact CZ-CZ3 4.34Å; F162-L487 HydrophobicContact CZ-CD2 4.43Å
163	L	92.3	Very high	92.9	Very high	71 Å²	71	46.8 Å²	46.8	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-39.7	174.1	-72.9	175.1	0	0	0	111	Y59 L156 T159 G160 G166 I167	Y59-L163 HydrophobicContact CE2-CD1 4.14Å; L156-L163 HydrophobicContact CD2-CD1 3.98Å; T159-L163 WeakPolarHBondContact O-CG 3.22Å; T159-L163 PolarHBondContact O-N 3.02Å; T159-L163 WeakPolarHBondContact OG1-CD1 3.25Å; G160-L163 PolarHBondContact O-N 3.48Å; L163-G166 PolarHBondContact O-N 3.31Å; L163-I167 WeakPolarHBondContact O-CD1 2.86Å; L163-I167 WeakPolarHBondContact O-CG1 3.27Å; L163-I167 PolarHBondContact O-N 3.02Å
164	H	92.9	Very high	92.7	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-54.3	173.6	165.4	-97.5	0	0	0	111.6	G160 F162 G166 I167 V168 L205 P209 I212 W496 D500	G160-H164 WeakPolarHBondContact O-CB 3.19Å; G160-H164 PolarHBondContact O-N 3.33Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3Å; H164-G166 VanDerWaalsContact C-N 3.29Å; H164-G166 PolarHBondContact O-N 3.15Å; H164-I167 PolarHBondContact O-N 3.48Å; H164-I167 VanDerWaalsContact O-N 3.15Å; H164-V168 WeakPolarHBondContact O-CG2 3.12Å; H164-V168 PolarHBondContact O-N 2.86Å; H164-L205 PolarHBondContact CD2-O 3.45Å; H164-L205 PolarHBondContact NE2-O 3.35Å; H164-P209 VanDerWaalsContact CE1-CG 3.47Å; H164-P209 WeakPolarHBondContact CE1-CG 3.24Å; H164-P209 WeakPolarHBondContact NE2-CD 3.44Å; H164-P209 WeakPolarHBondContact NE2-CG 3.26Å; H164-I212 HydrophobicContact CB-CD1 3.9Å; H164-W496 AromaticContact CE1-CD1 3.97Å; H164-D500 IonicContact CE1-OD1 3.85Å
165	I	92.6	Very high	92.6	Very high	57 Å²	57	41.6 Å²	41.6	29%	0.292	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-43.8	-179.8	-61.6	161.4	0	0	0	110.6	P161 F162 I167 V168 G169 I495	P161-I165 WeakPolarHBondContact O-CD1 3.33Å; P161-I165 WeakPolarHBondContact O-CG1 2.98Å; F162-I165 PolarHBondContact O-N 3.07Å; I165-I167 PolarHBondContact O-N 3.47Å; I165-V168 PolarHBondContact O-N 3.45Å; I165-G169 PolarHBondContact O-N 2.96Å; I165-I495 HydrophobicContact CD1-CG2 3.38Å; I165-I495 HydrophobicContact CG1-CG2 4.11Å
166	G	92.5	Very high	92.3	Very high	51 Å²	51	46.1 Å²	46.1	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177	0	0	0	0	0	113.1	F162 L163 H164 G170	F162-G166 PolarHBondContact O-N 2.87Å; L163-G166 PolarHBondContact O-N 3.31Å; H164-G166 VanDerWaalsContact C-N 3.29Å; H164-G166 PolarHBondContact O-N 3.15Å; G166-G170 PolarHBondContact O-N 2.99Å
167	I	93.6	Very high	91.8	Very high	88 Å²	88	43.9 Å²	43.9	45%	0.451	25%	0.252	S	S	.	.	H	α-helix	trans	-68.8	-43.7	178.8	-65.2	163.2	0	0	0	110.7	L163 H164 I165 G169 G170 M171 L205	L163-I167 WeakPolarHBondContact O-CD1 2.86Å; L163-I167 WeakPolarHBondContact O-CG1 3.27Å; L163-I167 PolarHBondContact O-N 3.02Å; H164-I167 PolarHBondContact O-N 3.48Å; H164-I167 VanDerWaalsContact O-N 3.15Å; I165-I167 PolarHBondContact O-N 3.47Å; I167-G169 PolarHBondContact O-N 2.95Å; I167-G170 PolarHBondContact O-N 3.21Å; I167-M171 HydrophobicContact CG2-CG 4.3Å; I167-M171 WeakPolarHBondContact O-CB 3.31Å; I167-M171 WeakPolarHBondContact O-CG 3.5Å; I167-M171 PolarHBondContact O-N 2.91Å; I167-L205 HydrophobicContact CB-CD2 4.38Å; I167-L205 HydrophobicContact CG2-CD1 3.82Å; I167-L205 HydrophobicContact CG2-CD2 3.53Å; I167-L205 HydrophobicContact CG2-CG 4.35Å
168	V	96.3	Very high	91.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-52.9	174.7	169.5	0	0	0	0	109.6	H164 I165 G170 M171 T172 L205 Y206	H164-V168 WeakPolarHBondContact O-CG2 3.12Å; H164-V168 PolarHBondContact O-N 2.86Å; I165-V168 PolarHBondContact O-N 3.45Å; V168-G170 VanDerWaalsContact C-N 3.34Å; V168-G170 PolarHBondContact O-N 3.4Å; V168-M171 PolarHBondContact O-N 3.24Å; V168-M171 VanDerWaalsContact O-N 3.12Å; V168-T172 PolarHBondContact O-N 3.39Å; V168-T172 PolarHBondContact O-OG1 2.97Å; V168-L205 HydrophobicContact CG2-CB 4.16Å; V168-Y206 HydrophobicContact CG1-CE1 4.09Å
169	G	94.9	Very high	91.3	Very high	32 Å²	32	43.4 Å²	43.4	33%	0.33	25%	0.25	S	S	.	.	H	α-helix	trans	-58.5	-42.5	178.3	0	0	0	0	0	113.3	I165 I167 M171 T172 L173	I165-G169 PolarHBondContact O-N 2.96Å; I167-G169 PolarHBondContact O-N 2.95Å; G169-M171 PolarHBondContact O-N 3.15Å; G169-T172 WeakPolarHBondContact O-CB 3.31Å; G169-T172 PolarHBondContact O-N 2.75Å; G169-L173 WeakPolarHBondContact O-CG 3.27Å; G169-L173 PolarHBondContact O-N 3.46Å
170	G	91.4	Very high	90.7	Very high	34 Å²	34	43.5 Å²	43.5	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-44.8	174.4	0	0	0	0	0	112.7	G166 I167 V168 L173 L174	G166-G170 PolarHBondContact O-N 2.99Å; I167-G170 PolarHBondContact O-N 3.21Å; V168-G170 VanDerWaalsContact C-N 3.34Å; V168-G170 PolarHBondContact O-N 3.4Å; G170-L173 PolarHBondContact O-N 2.9Å; G170-L174 WeakPolarHBondContact O-CG 3.25Å; G170-L174 PolarHBondContact O-N 3.38Å; G170-L174 VanDerWaalsContact O-N 3.09Å
171	M	93.6	Very high	90.2	Very high	40 Å²	40	47.6 Å²	47.6	20%	0.197	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-33.4	178.2	-68.9	-60.5	-66.7	0	0	112.9	I167 V168 G169 L174 A175 Y198 V201 M202 L205	I167-M171 HydrophobicContact CG2-CG 4.3Å; I167-M171 WeakPolarHBondContact O-CB 3.31Å; I167-M171 WeakPolarHBondContact O-CG 3.5Å; I167-M171 PolarHBondContact O-N 2.91Å; V168-M171 PolarHBondContact O-N 3.24Å; V168-M171 VanDerWaalsContact O-N 3.12Å; G169-M171 PolarHBondContact O-N 3.15Å; M171-L174 PolarHBondContact O-N 3.12Å; M171-L174 HydrophobicContact SD-CD1 3.92Å; M171-A175 PolarHBondContact O-N 2.76Å; M171-Y198 HydrophobicContact CE-CD2 3.87Å; M171-Y198 HydrophobicContact CE-CE2 3.71Å; M171-Y198 PolarHBondContact O-OH 3.36Å; M171-V201 HydrophobicContact CE-CG1 3.79Å; M171-M202 HydrophobicContact CB-CE 4.43Å; M171-M202 HydrophobicContact CB-SD 3.53Å; M171-M202 VanDerWaalsContact CB-SD 3.53Å; M171-M202 HydrophobicContact CG-SD 4.38Å; M171-L205 HydrophobicContact CB-CD1 4.24Å; M171-L205 HydrophobicContact CG-CD1 3.69Å
172	T	95.3	Very high	89.8	Confident	23 Å²	23	48.2 Å²	48.2	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-45.4	170.6	-47.2	0	0	0	0	110.7	V168 G169 L174 A175 S503 M506 I507	V168-T172 PolarHBondContact O-N 3.39Å; V168-T172 PolarHBondContact O-OG1 2.97Å; G169-T172 WeakPolarHBondContact O-CB 3.31Å; G169-T172 PolarHBondContact O-N 2.75Å; T172-L174 VanDerWaalsContact C-N 3.3Å; T172-L174 PolarHBondContact O-N 2.78Å; T172-A175 WeakPolarHBondContact O-CB 3.29Å; T172-A175 PolarHBondContact O-N 2.91Å; T172-A175 VanDerWaalsContact O-N 3.11Å; T172-S503 VanDerWaalsContact OG1-CB 3.3Å; T172-S503 WeakPolarHBondContact OG1-CB 3.32Å; T172-S503 PolarHBondContact OG1-OG 3.24Å; T172-M506 HydrophobicContact CG2-CB 3.62Å; T172-I507 HydrophobicContact CG2-CG1 4.14Å
173	L	90.8	Very high	89.4	Confident	140 Å²	140	47.7 Å²	47.7	73%	0.733	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-35.7	178	-69.5	173.2	0	0	0	112.1	G169 G170 A175 P177	G169-L173 WeakPolarHBondContact O-CG 3.27Å; G169-L173 PolarHBondContact O-N 3.46Å; G170-L173 PolarHBondContact O-N 2.9Å; L173-A175 PolarHBondContact O-N 3.19Å; L173-P177 WeakPolarHBondContact O-CD 3.37Å
174	L	88.3	Confident	88.6	Confident	71 Å²	71	51.8 Å²	51.8	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-12.8	175.4	-69.8	174.8	0	0	0	113.8	G170 M171 T172 W176 P177 L178	G170-L174 WeakPolarHBondContact O-CG 3.25Å; G170-L174 PolarHBondContact O-N 3.38Å; G170-L174 VanDerWaalsContact O-N 3.09Å; M171-L174 PolarHBondContact O-N 3.12Å; M171-L174 HydrophobicContact SD-CD1 3.92Å; T172-L174 VanDerWaalsContact C-N 3.3Å; T172-L174 PolarHBondContact O-N 2.78Å; L174-W176 VanDerWaalsContact C-N 3.32Å; L174-W176 PolarHBondContact O-N 2.94Å; L174-P177 HydrophobicContact CD2-CG 4.4Å; L174-P177 VanDerWaalsContact O-CD 3.25Å; L174-P177 WeakPolarHBondContact O-CD 3.23Å; L174-P177 VanDerWaalsContact O-CG 3.3Å; L174-P177 WeakPolarHBondContact O-CG 3.27Å; L174-L178 VanDerWaalsContact O-CB 3.24Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 PolarHBondContact O-N 2.96Å; L174-L178 VanDerWaalsContact O-N 3.14Å
175	A	91.6	Very high	87.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-39.6	177.4	0	0	0	0	0	112.6	M171 T172 L173 A179 Y198 I507 A510 F511	M171-A175 PolarHBondContact O-N 2.76Å; T172-A175 WeakPolarHBondContact O-CB 3.29Å; T172-A175 PolarHBondContact O-N 2.91Å; T172-A175 VanDerWaalsContact O-N 3.11Å; L173-A175 PolarHBondContact O-N 3.19Å; A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 3.49Å; A175-Y198 WeakPolarHBondContact CB-OH 3.31Å; A175-I507 HydrophobicContact CB-CB 4.31Å; A175-I507 HydrophobicContact CB-CG1 3.85Å; A175-I507 HydrophobicContact CB-CG2 4.22Å; A175-A510 HydrophobicContact CB-CB 4.42Å; A175-F511 HydrophobicContact CB-CE2 4.26Å
176	W	87.2	Confident	86.9	Confident	101 Å²	101	55.8 Å²	55.8	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-53.8	-179.2	178.6	-84.9	0	0	0	114	L174 L178 A179 S180 A510 L513 V514	L174-W176 VanDerWaalsContact C-N 3.32Å; L174-W176 PolarHBondContact O-N 2.94Å; W176-L178 VanDerWaalsContact C-N 3.3Å; W176-L178 PolarHBondContact O-N 3.1Å; W176-A179 PolarHBondContact O-N 3.24Å; W176-S180 WeakPolarHBondContact O-CB 3.08Å; W176-S180 PolarHBondContact O-N 3.01Å; W176-S180 PolarHBondContact O-OG 3.42Å; W176-A510 HydrophobicContact CE3-CB 4.16Å; W176-L513 HydrophobicContact CH2-CB 4.45Å; W176-L513 HydrophobicContact CZ3-CB 3.94Å; W176-L513 HydrophobicContact CZ3-CD1 3.91Å; W176-V514 HydrophobicContact CD2-CG2 4.09Å; W176-V514 HydrophobicContact CE3-CG2 3.97Å; W176-V514 HydrophobicContact CH2-CG2 4.2Å; W176-V514 HydrophobicContact CZ2-CG2 4.3Å; W176-V514 HydrophobicContact CZ3-CG2 4.03Å
177	P	83.4	Confident	86.5	Confident	39 Å²	39	56.4 Å²	56.4	25%	0.253	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-35.7	176.3	24.1	-33	0	0	0	111.8	L173 L174 S180 F181	L173-P177 WeakPolarHBondContact O-CD 3.37Å; L174-P177 HydrophobicContact CD2-CG 4.4Å; L174-P177 VanDerWaalsContact O-CD 3.25Å; L174-P177 WeakPolarHBondContact O-CD 3.23Å; L174-P177 VanDerWaalsContact O-CG 3.3Å; L174-P177 WeakPolarHBondContact O-CG 3.27Å; P177-S180 WeakPolarHBondContact O-CB 3.43Å; P177-S180 PolarHBondContact O-N 3.4Å; P177-F181 PolarHBondContact O-N 3.25Å
178	L	86.4	Confident	86	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-49.2	175.7	179.4	63.2	0	0	0	111.9	L174 W176 S180 F181 I182 Y198 F511	L174-L178 VanDerWaalsContact O-CB 3.24Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 PolarHBondContact O-N 2.96Å; L174-L178 VanDerWaalsContact O-N 3.14Å; W176-L178 VanDerWaalsContact C-N 3.3Å; W176-L178 PolarHBondContact O-N 3.1Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.62Å; L178-F181 WeakPolarHBondContact O-CB 3.31Å; L178-F181 PolarHBondContact O-N 2.77Å; L178-F181 VanDerWaalsContact O-N 3.13Å; L178-I182 HydrophobicContact CD1-CD1 4Å; L178-I182 HydrophobicContact CD1-CG1 4.28Å; L178-I182 HydrophobicContact CG-CD1 3.88Å; L178-I182 WeakPolarHBondContact O-CG1 3.42Å; L178-I182 PolarHBondContact O-N 2.94Å; L178-Y198 HydrophobicContact CD2-CD1 3.95Å; L178-Y198 HydrophobicContact CD2-CD2 3.33Å; L178-Y198 HydrophobicContact CD2-CE1 4.47Å; L178-Y198 HydrophobicContact CD2-CE2 3.92Å; L178-Y198 HydrophobicContact CD2-CG 3.34Å; L178-F511 HydrophobicContact CD2-CZ 4.5Å
179	A	87.3	Confident	85.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.6	-45.4	175.8	0	0	0	0	0	110.7	A175 W176 F181 I182 Y183 F511 V514	A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 3.49Å; W176-A179 PolarHBondContact O-N 3.24Å; A179-F181 VanDerWaalsContact C-N 3.29Å; A179-F181 PolarHBondContact O-N 2.81Å; A179-I182 PolarHBondContact O-N 2.98Å; A179-Y183 WeakPolarHBondContact O-CD2 3.4Å; A179-Y183 PolarHBondContact O-N 2.73Å; A179-F511 HydrophobicContact CB-CD1 3.71Å; A179-F511 HydrophobicContact CB-CD2 3.97Å; A179-F511 HydrophobicContact CB-CE1 3.78Å; A179-F511 HydrophobicContact CB-CE2 4.04Å; A179-F511 HydrophobicContact CB-CG 3.83Å; A179-F511 HydrophobicContact CB-CZ 3.95Å; A179-V514 HydrophobicContact CB-CB 4.2Å; A179-V514 HydrophobicContact CB-CG1 4.4Å; A179-V514 HydrophobicContact CB-CG2 4.14Å
180	S	81.1	Confident	84.9	Confident	22 Å²	22	61.3 Å²	61.3	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-40.4	176.6	-65.1	0	0	0	0	112.5	W176 P177 L178 R184	W176-S180 WeakPolarHBondContact O-CB 3.08Å; W176-S180 PolarHBondContact O-N 3.01Å; W176-S180 PolarHBondContact O-OG 3.42Å; P177-S180 WeakPolarHBondContact O-CB 3.43Å; P177-S180 PolarHBondContact O-N 3.4Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.62Å; S180-R184 WeakPolarHBondContact O-CB 3.48Å; S180-R184 WeakPolarHBondContact O-CD 3.23Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.36Å
181	F	80.3	Confident	84.6	Confident	95 Å²	95	62.6 Å²	62.6	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-46.9	176	-177.3	-95.2	0	0	0	112.1	P177 L178 A179 Y183 R184 S185 L190 L194	P177-F181 PolarHBondContact O-N 3.25Å; L178-F181 WeakPolarHBondContact O-CB 3.31Å; L178-F181 PolarHBondContact O-N 2.77Å; L178-F181 VanDerWaalsContact O-N 3.13Å; A179-F181 VanDerWaalsContact C-N 3.29Å; A179-F181 PolarHBondContact O-N 2.81Å; F181-Y183 PolarHBondContact O-N 2.89Å; F181-R184 PolarHBondContact O-N 3.19Å; F181-S185 PolarHBondContact O-N 2.98Å; F181-L190 HydrophobicContact CE1-CD2 4.33Å; F181-L194 HydrophobicContact CD1-CD1 3.78Å; F181-L194 HydrophobicContact CE1-CD1 3.54Å
182	I	83.9	Confident	84.4	Confident	16 Å²	16	64.3 Å²	64.3	8%	0.082	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-45.8	179.8	-71.8	172.4	0	0	0	111.1	L178 A179 R184 S185 K191 L194 L195 F511	L178-I182 HydrophobicContact CD1-CD1 4Å; L178-I182 HydrophobicContact CD1-CG1 4.28Å; L178-I182 HydrophobicContact CG-CD1 3.88Å; L178-I182 WeakPolarHBondContact O-CG1 3.42Å; L178-I182 PolarHBondContact O-N 2.94Å; A179-I182 PolarHBondContact O-N 2.98Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 3.2Å; I182-S185 PolarHBondContact O-N 2.81Å; I182-K191 HydrophobicContact CG2-CB 4.12Å; I182-K191 HydrophobicContact CG2-CD 4.38Å; I182-K191 HydrophobicContact CG2-CG 4Å; I182-K191 WeakPolarHBondContact O-CD 3.4Å; I182-K191 WeakPolarHBondContact O-CE 3.45Å; I182-L194 HydrophobicContact CD1-CB 4.45Å; I182-L195 HydrophobicContact CD1-CB 4.49Å; I182-F511 HydrophobicContact CD1-CE1 4.12Å; I182-F511 HydrophobicContact CD1-CZ 4.35Å
183	Y	82.1	Confident	84.2	Confident	76 Å²	76	69.4 Å²	69.4	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-69.6	-25.4	179.5	-78.1	-68.1	0	0	0	113.5	A179 F181 F511 V514 K515	A179-Y183 WeakPolarHBondContact O-CD2 3.4Å; A179-Y183 PolarHBondContact O-N 2.73Å; F181-Y183 PolarHBondContact O-N 2.89Å; Y183-F511 HydrophobicContact CE2-CD1 4.32Å; Y183-F511 WeakPolarHBondContact CE2-O 3.35Å; Y183-V514 HydrophobicContact CD2-CB 4.11Å; Y183-V514 HydrophobicContact CD2-CG1 3.51Å; Y183-V514 HydrophobicContact CE2-CB 4.36Å; Y183-V514 HydrophobicContact CE2-CG1 4.24Å; Y183-V514 HydrophobicContact CG-CG1 4.25Å; Y183-K515 HydrophobicContact CE1-CB 4.04Å; Y183-K515 HydrophobicContact CE1-CG 3.89Å; Y183-K515 HydrophobicContact CE2-CB 4.1Å; Y183-K515 WeakPolarHBondContact OH-CB 3.3Å
184	R	75.9	Confident	84	Confident	157 Å²	157	65 Å²	65	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-86.2	-22.7	176.1	-71.1	177	-169.4	-172.2	6.4	113.7	S180 F181 I182	S180-R184 WeakPolarHBondContact O-CB 3.48Å; S180-R184 WeakPolarHBondContact O-CD 3.23Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.36Å; F181-R184 PolarHBondContact O-N 3.19Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 3.2Å
185	S	75.9	Confident	84.2	Confident	22 Å²	22	65.1 Å²	65.1	15%	0.154	35%	0.348	C	S	.	.			trans	-64.9	145.1	-178.5	-178	0	0	0	0	111.3	F181 I182 S187 K191	F181-S185 PolarHBondContact O-N 2.98Å; I182-S185 PolarHBondContact O-N 2.81Å; S185-S187 PolarHBondContact OG-N 3.48Å; S185-K191 WeakPolarHBondContact O-CE 3.48Å; S185-K191 PolarHBondContact O-NZ 2.94Å
186	C	73.3	Confident	84.3	Confident	128 Å²	128	70.6 Å²	70.6	87%	0.865	38%	0.376	S	S	*	.			trans	-92.3	-20.6	175.4	-59.5	0	0	0	0	112.6
187	S	83.6	Confident	84.6	Confident	63 Å²	63	69 Å²	69	44%	0.441	38%	0.378	S	S	.	.			trans	-88.2	113.6	-176.4	173	0	0	0	0	111.8	S185 G189 L190 K191	S185-S187 PolarHBondContact OG-N 3.48Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.04Å; S187-L190 PolarHBondContact O-N 3.14Å; S187-L190 PolarHBondContact OG-N 2.88Å; S187-K191 WeakPolarHBondContact O-CG 3.22Å; S187-K191 PolarHBondContact O-N 2.53Å; S187-K191 VanDerWaalsContact O-N 3.17Å
188	T	83.7	Confident	85.1	Confident	103 Å²	103	68 Å²	68	63%	0.632	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-41.7	176.2	-53.6	0	0	0	0	112	L190 K191 V192	T188-L190 PolarHBondContact O-N 3.39Å; T188-K191 WeakPolarHBondContact O-CB 3.45Å; T188-K191 PolarHBondContact O-N 3.05Å; T188-V192 WeakPolarHBondContact O-CG2 3.46Å; T188-V192 PolarHBondContact O-N 2.67Å; T188-V192 VanDerWaalsContact O-N 3.08Å
189	G	85.9	Confident	85.6	Confident	54 Å²	54	69 Å²	69	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-44	178.1	0	0	0	0	0	112.7	S187 K191 V192 F193	S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.04Å; G189-K191 PolarHBondContact O-N 2.76Å; G189-V192 PolarHBondContact O-N 3.39Å; G189-F193 WeakPolarHBondContact O-CB 3.5Å; G189-F193 PolarHBondContact O-N 3.17Å
190	L	82.1	Confident	86	Confident	69 Å²	69	71.9 Å²	71.9	36%	0.361	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177.5	-178.1	62.5	0	0	0	112.4	F181 S187 T188 L194	F181-L190 HydrophobicContact CE1-CD2 4.33Å; S187-L190 PolarHBondContact O-N 3.14Å; S187-L190 PolarHBondContact OG-N 2.88Å; T188-L190 PolarHBondContact O-N 3.39Å; L190-L194 HydrophobicContact CD1-CD1 4.08Å; L190-L194 HydrophobicContact CD1-CG 4.12Å; L190-L194 HydrophobicContact CG-CD1 4.03Å; L190-L194 HydrophobicContact CG-CG 4.45Å; L190-L194 WeakPolarHBondContact O-CB 3.38Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.07Å
191	K	85.8	Confident	86.7	Confident	61 Å²	61	73.6 Å²	73.6	27%	0.265	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-50.2	176.4	-69	175.3	-167	-175.4	0	111.6	I182 S185 S187 T188 G189 F193 L194 L195	I182-K191 HydrophobicContact CG2-CB 4.12Å; I182-K191 HydrophobicContact CG2-CD 4.38Å; I182-K191 HydrophobicContact CG2-CG 4Å; I182-K191 WeakPolarHBondContact O-CD 3.4Å; I182-K191 WeakPolarHBondContact O-CE 3.45Å; S185-K191 WeakPolarHBondContact O-CE 3.48Å; S185-K191 PolarHBondContact O-NZ 2.94Å; S187-K191 WeakPolarHBondContact O-CG 3.22Å; S187-K191 PolarHBondContact O-N 2.53Å; S187-K191 VanDerWaalsContact O-N 3.17Å; T188-K191 WeakPolarHBondContact O-CB 3.45Å; T188-K191 PolarHBondContact O-N 3.05Å; G189-K191 PolarHBondContact O-N 2.76Å; K191-F193 VanDerWaalsContact C-N 3.34Å; K191-L194 PolarHBondContact O-N 2.92Å; K191-L195 WeakPolarHBondContact O-CB 3.03Å; K191-L195 PolarHBondContact O-N 2.91Å
192	V	89.3	Confident	87.5	Confident	77 Å²	77	69.5 Å²	69.5	47%	0.467	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-46.1	-179.8	174.1	0	0	0	0	109.7	T188 G189 L194 L195 L196	T188-V192 WeakPolarHBondContact O-CG2 3.46Å; T188-V192 PolarHBondContact O-N 2.67Å; T188-V192 VanDerWaalsContact O-N 3.08Å; G189-V192 PolarHBondContact O-N 3.39Å; V192-L194 PolarHBondContact O-N 3.42Å; V192-L195 PolarHBondContact O-N 3.14Å; V192-L196 HydrophobicContact CG1-CD1 3.82Å; V192-L196 HydrophobicContact CG1-CG 4.24Å; V192-L196 WeakPolarHBondContact O-CB 3.35Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.89Å
193	F	89.8	Confident	88.1	Confident	129 Å²	129	73.5 Å²	73.5	57%	0.566	41%	0.414	S	S	*	.	H	α-helix	trans	-57.2	-52.2	177.2	177	-101.3	0	0	0	112.7	G189 K191 L195 L196 V197	G189-F193 WeakPolarHBondContact O-CB 3.5Å; G189-F193 PolarHBondContact O-N 3.17Å; K191-F193 VanDerWaalsContact C-N 3.34Å; F193-L195 VanDerWaalsContact C-N 3.32Å; F193-L195 PolarHBondContact O-N 2.69Å; F193-L196 PolarHBondContact O-N 3.45Å; F193-V197 HydrophobicContact CD1-CG2 4.44Å; F193-V197 HydrophobicContact CD2-CG2 4.34Å; F193-V197 HydrophobicContact CE1-CG2 4.03Å; F193-V197 HydrophobicContact CE2-CG2 3.92Å; F193-V197 HydrophobicContact CZ-CG2 3.75Å; F193-V197 WeakPolarHBondContact O-CG2 3.48Å; F193-V197 PolarHBondContact O-N 3.32Å
194	L	88.4	Confident	88.8	Confident	47 Å²	47	72.8 Å²	72.8	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-63.6	-37.4	-179.2	-71.9	174.1	0	0	0	112.7	F181 I182 L190 K191 V192 Y198	F181-L194 HydrophobicContact CD1-CD1 3.78Å; F181-L194 HydrophobicContact CE1-CD1 3.54Å; I182-L194 HydrophobicContact CD1-CB 4.45Å; L190-L194 HydrophobicContact CD1-CD1 4.08Å; L190-L194 HydrophobicContact CD1-CG 4.12Å; L190-L194 HydrophobicContact CG-CD1 4.03Å; L190-L194 HydrophobicContact CG-CG 4.45Å; L190-L194 WeakPolarHBondContact O-CB 3.38Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.07Å; K191-L194 PolarHBondContact O-N 2.92Å; V192-L194 PolarHBondContact O-N 3.42Å; L194-Y198 WeakPolarHBondContact O-CB 3.21Å; L194-Y198 PolarHBondContact O-N 3.43Å
195	L	91.3	Very high	89.8	Confident	75 Å²	75	66.5 Å²	66.5	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-44.9	176	-174.1	67.6	0	0	0	111.2	I182 K191 V192 F193 Y198 C199 F511	I182-L195 HydrophobicContact CD1-CB 4.49Å; K191-L195 WeakPolarHBondContact O-CB 3.03Å; K191-L195 PolarHBondContact O-N 2.91Å; V192-L195 PolarHBondContact O-N 3.14Å; F193-L195 VanDerWaalsContact C-N 3.32Å; F193-L195 PolarHBondContact O-N 2.69Å; L195-Y198 PolarHBondContact O-N 3.25Å; L195-C199 WeakPolarHBondContact O-CB 3.34Å; L195-C199 PolarHBondContact O-N 2.73Å; L195-C199 PolarHBondContact O-SG 3.48Å; L195-F511 HydrophobicContact CD1-CE1 4.13Å; L195-F511 HydrophobicContact CD1-CZ 4.26Å
196	L	94.5	Very high	90.8	Very high	114 Å²	114	67.4 Å²	67.4	60%	0.597	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-45.3	177.5	-73.1	175.2	0	0	0	111.6	V192 F193 C199 A200	V192-L196 HydrophobicContact CG1-CD1 3.82Å; V192-L196 HydrophobicContact CG1-CG 4.24Å; V192-L196 WeakPolarHBondContact O-CB 3.35Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.89Å; F193-L196 PolarHBondContact O-N 3.45Å; L196-C199 PolarHBondContact O-N 2.95Å; L196-A200 VanDerWaalsContact O-CB 3.3Å; L196-A200 WeakPolarHBondContact O-CB 3.46Å; L196-A200 PolarHBondContact O-N 3.04Å
197	V	93.5	Very high	91.8	Very high	68 Å²	68	66 Å²	66	41%	0.412	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-47.6	176.6	171.7	0	0	0	0	110.7	F193 A200 V201	F193-V197 HydrophobicContact CD1-CG2 4.44Å; F193-V197 HydrophobicContact CD2-CG2 4.34Å; F193-V197 HydrophobicContact CE1-CG2 4.03Å; F193-V197 HydrophobicContact CE2-CG2 3.92Å; F193-V197 HydrophobicContact CZ-CG2 3.75Å; F193-V197 WeakPolarHBondContact O-CG2 3.48Å; F193-V197 PolarHBondContact O-N 3.32Å; V197-A200 PolarHBondContact O-N 2.91Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.89Å
198	Y	94	Very high	92.3	Very high	17 Å²	17	64.5 Å²	64.5	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-44.9	179.2	-177.1	-99.4	0	0	0	112.1	M171 A175 L178 L194 L195 A200 V201 M202 I507	M171-Y198 HydrophobicContact CE-CD2 3.87Å; M171-Y198 HydrophobicContact CE-CE2 3.71Å; M171-Y198 PolarHBondContact O-OH 3.36Å; A175-Y198 WeakPolarHBondContact CB-OH 3.31Å; L178-Y198 HydrophobicContact CD2-CD1 3.95Å; L178-Y198 HydrophobicContact CD2-CD2 3.33Å; L178-Y198 HydrophobicContact CD2-CE1 4.47Å; L178-Y198 HydrophobicContact CD2-CE2 3.92Å; L178-Y198 HydrophobicContact CD2-CG 3.34Å; L194-Y198 WeakPolarHBondContact O-CB 3.21Å; L194-Y198 PolarHBondContact O-N 3.43Å; L195-Y198 PolarHBondContact O-N 3.25Å; Y198-A200 PolarHBondContact O-N 2.83Å; Y198-V201 PolarHBondContact O-N 3.49Å; Y198-M202 HydrophobicContact CD1-CG 4.08Å; Y198-M202 HydrophobicContact CE1-CG 3.71Å; Y198-M202 HydrophobicContact CE1-SD 4.45Å; Y198-M202 HydrophobicContact CE2-CG 4.34Å; Y198-M202 HydrophobicContact CE2-SD 4.32Å; Y198-M202 WeakPolarHBondContact O-CG 3.45Å; Y198-M202 PolarHBondContact O-N 3.4Å; Y198-I507 HydrophobicContact CE1-CD1 4.26Å; Y198-I507 HydrophobicContact CE1-CG2 4.09Å; Y198-I507 WeakPolarHBondContact OH-CD1 3.38Å
199	C	95.7	Very high	92.8	Very high	57 Å²	57	60 Å²	60	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-43.4	175.7	-71.1	0	0	0	0	112	L195 L196 V201 M202 I203	L195-C199 WeakPolarHBondContact O-CB 3.34Å; L195-C199 PolarHBondContact O-N 2.73Å; L195-C199 PolarHBondContact O-SG 3.48Å; L196-C199 PolarHBondContact O-N 2.95Å; C199-V201 VanDerWaalsContact C-N 3.35Å; C199-V201 PolarHBondContact O-N 2.88Å; C199-M202 PolarHBondContact O-N 2.8Å; C199-I203 WeakPolarHBondContact O-CB 3.19Å; C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.49Å; C199-I203 PolarHBondContact O-N 2.99Å
200	A	96.9	Very high	93.1	Very high	59 Å²	59	63.5 Å²	63.5	49%	0.488	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-43.4	177	0	0	0	0	0	111.7	L196 V197 Y198 I203 A204	L196-A200 VanDerWaalsContact O-CB 3.3Å; L196-A200 WeakPolarHBondContact O-CB 3.46Å; L196-A200 PolarHBondContact O-N 3.04Å; V197-A200 PolarHBondContact O-N 2.91Å; Y198-A200 PolarHBondContact O-N 2.83Å; A200-I203 PolarHBondContact O-N 3.42Å; A200-A204 WeakPolarHBondContact O-CB 3.47Å; A200-A204 PolarHBondContact O-N 3.36Å
201	V	95.6	Very high	93.6	Very high	59 Å²	59	64.1 Å²	64.1	36%	0.358	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-45.5	175.3	173.1	0	0	0	0	111.1	M171 V197 Y198 C199 I203 A204 L205	M171-V201 HydrophobicContact CE-CG1 3.79Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.89Å; Y198-V201 PolarHBondContact O-N 3.49Å; C199-V201 VanDerWaalsContact C-N 3.35Å; C199-V201 PolarHBondContact O-N 2.88Å; V201-I203 PolarHBondContact O-N 3.06Å; V201-A204 PolarHBondContact O-N 3.37Å; V201-L205 HydrophobicContact CG1-CD1 3.95Å; V201-L205 HydrophobicContact CG1-CG 4.38Å; V201-L205 VanDerWaalsContact O-CG 3.3Å; V201-L205 WeakPolarHBondContact O-CG 3.47Å; V201-L205 PolarHBondContact O-N 3.04Å
202	M	97.1	Very high	93.8	Very high	8 Å²	8	63 Å²	63	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-41	178.5	-69.1	-53	-55.9	0	0	112.5	M171 Y198 C199 L205 Y206 I507	M171-M202 HydrophobicContact CB-CE 4.43Å; M171-M202 HydrophobicContact CB-SD 3.53Å; M171-M202 VanDerWaalsContact CB-SD 3.53Å; M171-M202 HydrophobicContact CG-SD 4.38Å; Y198-M202 HydrophobicContact CD1-CG 4.08Å; Y198-M202 HydrophobicContact CE1-CG 3.71Å; Y198-M202 HydrophobicContact CE1-SD 4.45Å; Y198-M202 HydrophobicContact CE2-CG 4.34Å; Y198-M202 HydrophobicContact CE2-SD 4.32Å; Y198-M202 WeakPolarHBondContact O-CG 3.45Å; Y198-M202 PolarHBondContact O-N 3.4Å; C199-M202 PolarHBondContact O-N 2.8Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.27Å; M202-Y206 HydrophobicContact CB-CE2 4.43Å; M202-Y206 HydrophobicContact CE-CD1 4.35Å; M202-Y206 HydrophobicContact CE-CE1 3.45Å; M202-Y206 VanDerWaalsContact CE-CE1 3.45Å; M202-Y206 HydrophobicContact CE-CE2 4.33Å; M202-Y206 VanDerWaalsContact CE-CZ 3.44Å; M202-Y206 VanDerWaalsContact CE-OH 3.29Å; M202-Y206 WeakPolarHBondContact CE-OH 3.46Å; M202-Y206 WeakPolarHBondContact O-CD2 3.35Å; M202-Y206 PolarHBondContact O-N 2.93Å; M202-I507 HydrophobicContact CE-CD1 3.64Å; M202-I507 HydrophobicContact CG-CD1 4.3Å; M202-I507 HydrophobicContact SD-CD1 4.2Å
203	I	96.8	Very high	93.8	Very high	100 Å²	100	64.5 Å²	64.5	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.3	-69.9	165.1	0	0	0	110.3	C199 A200 V201 L205 Y206 L207	C199-I203 WeakPolarHBondContact O-CB 3.19Å; C199-I203 VanDerWaalsContact O-CG1 3.27Å; C199-I203 WeakPolarHBondContact O-CG1 3.49Å; C199-I203 PolarHBondContact O-N 2.99Å; A200-I203 PolarHBondContact O-N 3.42Å; V201-I203 PolarHBondContact O-N 3.06Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3.16Å; I203-Y206 PolarHBondContact O-N 2.85Å; I203-L207 HydrophobicContact CG2-CD1 3.89Å; I203-L207 WeakPolarHBondContact O-CB 3.32Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.47Å
204	A	96.4	Very high	94	Very high	62 Å²	62	59.4 Å²	59.4	51%	0.512	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-39.9	176.6	0	0	0	0	0	111.8	A200 V201 L207 A208	A200-A204 WeakPolarHBondContact O-CB 3.47Å; A200-A204 PolarHBondContact O-N 3.36Å; V201-A204 PolarHBondContact O-N 3.37Å; A204-L207 PolarHBondContact O-N 3.13Å; A204-A208 WeakPolarHBondContact O-CB 3.34Å; A204-A208 PolarHBondContact O-N 3.3Å
205	L	95.8	Very high	94.3	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-68.3	-41.7	176.8	-70.7	172.1	0	0	0	112.6	H164 I167 V168 M171 V201 M202 I203 L207 A208	H164-L205 PolarHBondContact CD2-O 3.45Å; H164-L205 PolarHBondContact NE2-O 3.35Å; I167-L205 HydrophobicContact CB-CD2 4.38Å; I167-L205 HydrophobicContact CG2-CD1 3.82Å; I167-L205 HydrophobicContact CG2-CD2 3.53Å; I167-L205 HydrophobicContact CG2-CG 4.35Å; V168-L205 HydrophobicContact CG2-CB 4.16Å; M171-L205 HydrophobicContact CB-CD1 4.24Å; M171-L205 HydrophobicContact CG-CD1 3.69Å; V201-L205 HydrophobicContact CG1-CD1 3.95Å; V201-L205 HydrophobicContact CG1-CG 4.38Å; V201-L205 VanDerWaalsContact O-CG 3.3Å; V201-L205 WeakPolarHBondContact O-CG 3.47Å; V201-L205 PolarHBondContact O-N 3.04Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.27Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3.16Å; L205-L207 PolarHBondContact O-N 3.46Å; L205-A208 WeakPolarHBondContact O-CB 3.43Å; L205-A208 PolarHBondContact O-N 3.32Å
206	Y	96.6	Very high	94.6	Very high	40 Å²	40	53.9 Å²	53.9	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-28.2	176.8	-64.1	-20.9	0	0	0	112.6	V168 M202 I203 W496 D500 S503 F504	V168-Y206 HydrophobicContact CG1-CE1 4.09Å; M202-Y206 HydrophobicContact CB-CE2 4.43Å; M202-Y206 HydrophobicContact CE-CD1 4.35Å; M202-Y206 HydrophobicContact CE-CE1 3.45Å; M202-Y206 VanDerWaalsContact CE-CE1 3.45Å; M202-Y206 HydrophobicContact CE-CE2 4.33Å; M202-Y206 VanDerWaalsContact CE-CZ 3.44Å; M202-Y206 VanDerWaalsContact CE-OH 3.29Å; M202-Y206 WeakPolarHBondContact CE-OH 3.46Å; M202-Y206 WeakPolarHBondContact O-CD2 3.35Å; M202-Y206 PolarHBondContact O-N 2.93Å; I203-Y206 PolarHBondContact O-N 2.85Å; Y206-W496 VanDerWaalsContact O-CZ2 3.3Å; Y206-W496 WeakPolarHBondContact O-CZ2 3.48Å; Y206-W496 PolarHBondContact O-NE1 3.36Å; Y206-D500 VanDerWaalsContact CA-OD2 3.24Å; Y206-D500 WeakPolarHBondContact CA-OD2 3.35Å; Y206-D500 WeakPolarHBondContact CB-OD2 3.49Å; Y206-D500 HydrophobicContact CD1-CB 3.88Å; Y206-D500 VanDerWaalsContact CD1-OD1 3.3Å; Y206-D500 WeakPolarHBondContact CD1-OD1 3.47Å; Y206-D500 WeakPolarHBondContact CD1-OD2 3.48Å; Y206-D500 HydrophobicContact CE1-CB 4.11Å; Y206-D500 HydrophobicContact CG-CB 4.31Å; Y206-S503 WeakPolarHBondContact OH-CB 3.34Å; Y206-S503 PolarHBondContact OH-OG 2.95Å; Y206-F504 PolarHBondContact OH-N 3.31Å
207	L	95.9	Very high	94.6	Very high	98 Å²	98	50.2 Å²	50.2	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-90.4	-11.7	175.6	-63.4	176.4	0	0	0	113.6	I203 A204 L205 P209 L210	I203-L207 HydrophobicContact CG2-CD1 3.89Å; I203-L207 WeakPolarHBondContact O-CB 3.32Å; I203-L207 WeakPolarHBondContact O-CG 3.31Å; I203-L207 PolarHBondContact O-N 3.47Å; A204-L207 PolarHBondContact O-N 3.13Å; L205-L207 PolarHBondContact O-N 3.46Å; L207-P209 VanDerWaalsContact C-CD 3.44Å; L207-P209 VanDerWaalsContact C-N 3.34Å; L207-L210 HydrophobicContact CD2-CD1 4.1Å; L207-L210 WeakPolarHBondContact O-CB 3.17Å; L207-L210 PolarHBondContact O-N 3.07Å; L207-L210 VanDerWaalsContact O-N 3.12Å
208	A	94.1	Very high	94.6	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-56.9	-37.2	-175.9	0	0	0	0	0	114.2	A204 L205 L210 A211 I212	A204-A208 WeakPolarHBondContact O-CB 3.34Å; A204-A208 PolarHBondContact O-N 3.3Å; L205-A208 WeakPolarHBondContact O-CB 3.43Å; L205-A208 PolarHBondContact O-N 3.32Å; A208-L210 PolarHBondContact O-N 3.23Å; A208-L210 VanDerWaalsContact O-N 3.07Å; A208-A211 PolarHBondContact O-N 3.1Å; A208-I212 PolarHBondContact O-N 2.84Å
209	P	93.9	Very high	94.6	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.052	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.9	-23.7	177.2	-33.1	43	0	0	0	115.1	H164 L207 A211 I212 Y492 W496	H164-P209 VanDerWaalsContact CE1-CG 3.47Å; H164-P209 WeakPolarHBondContact CE1-CG 3.24Å; H164-P209 WeakPolarHBondContact NE2-CD 3.44Å; H164-P209 WeakPolarHBondContact NE2-CG 3.26Å; L207-P209 VanDerWaalsContact C-CD 3.44Å; L207-P209 VanDerWaalsContact C-N 3.34Å; P209-A211 PolarHBondContact O-N 3.11Å; P209-I212 PolarHBondContact O-N 3.41Å; P209-Y492 HydrophobicContact CB-CE1 4.36Å; P209-Y492 WeakPolarHBondContact CB-OH 3.48Å; P209-W496 HydrophobicContact CB-CD2 3.5Å; P209-W496 VanDerWaalsContact CB-CD2 3.5Å; P209-W496 HydrophobicContact CB-CE3 3.63Å; P209-W496 HydrophobicContact CB-CG 4.06Å; P209-W496 HydrophobicContact CB-CH2 3.99Å; P209-W496 HydrophobicContact CB-CZ2 3.86Å; P209-W496 HydrophobicContact CB-CZ3 3.88Å; P209-W496 HydrophobicContact CG-CD2 3.71Å; P209-W496 HydrophobicContact CG-CE3 4.36Å; P209-W496 HydrophobicContact CG-CG 3.84Å; P209-W496 HydrophobicContact CG-CZ2 4.15Å
210	L	92.4	Very high	94.4	Very high	129 Å²	129	53.5 Å²	53.5	68%	0.675	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24	173.6	-63.9	172.6	0	0	0	113.2	L207 A208 W496	L207-L210 HydrophobicContact CD2-CD1 4.1Å; L207-L210 WeakPolarHBondContact O-CB 3.17Å; L207-L210 PolarHBondContact O-N 3.07Å; L207-L210 VanDerWaalsContact O-N 3.12Å; A208-L210 PolarHBondContact O-N 3.23Å; A208-L210 VanDerWaalsContact O-N 3.07Å; L210-W496 HydrophobicContact CD2-CH2 3.66Å; L210-W496 HydrophobicContact CD2-CZ3 4.29Å; L210-W496 HydrophobicContact CG-CH2 3.78Å; L210-W496 HydrophobicContact CG-CZ2 4.39Å
211	A	91.8	Very high	94.3	Very high	82 Å²	82	57.4 Å²	57.4	68%	0.678	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-100.5	-7.9	179.3	0	0	0	0	0	113.1	A208 P209 T213	A208-A211 PolarHBondContact O-N 3.1Å; P209-A211 PolarHBondContact O-N 3.11Å; A211-T213 PolarHBondContact O-N 3.49Å
212	I	90.9	Very high	94.2	Very high	37 Å²	37	60.7 Å²	60.7	19%	0.19	34%	0.339	C	S	.	.			trans	-80.7	114.8	-179.5	-65.2	174.8	0	0	0	108.7	P161 H164 A208 P209	P161-I212 HydrophobicContact CG-CG2 3.92Å; H164-I212 HydrophobicContact CB-CD1 3.9Å; A208-I212 PolarHBondContact O-N 2.84Å; P209-I212 PolarHBondContact O-N 3.41Å
213	T	89.1	Confident	94.2	Very high	109 Å²	109	62.2 Å²	62.2	67%	0.669	35%	0.347	S	S	*	.			trans	-108	126.8	173.9	52.7	0	0	0	0	109.5	A211	A211-T213 PolarHBondContact O-N 3.49Å
214	S	93.8	Very high	94.1	Very high	21 Å²	21	58.2 Å²	58.2	15%	0.147	33%	0.328	C	S	.	.			trans	-138.3	132.9	177.8	-177.1	0	0	0	0	109.6	Q157 C216 L217	Q157-S214 WeakPolarHBondContact O-CB 3.32Å; Q157-S214 PolarHBondContact O-OG 2.88Å; S214-C216 PolarHBondContact O-N 3.39Å; S214-C216 PolarHBondContact OG-N 3.02Å; S214-L217 PolarHBondContact O-N 2.94Å
215	P	95.3	Very high	94.1	Very high	7 Å²	7	59.5 Å²	59.5	5%	0.045	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.1	172.8	29.2	-33.7	0	0	0	111.7	M218 R438 V460 C463 A464	P215-M218 WeakPolarHBondContact O-CE 3.29Å; P215-R438 PolarHBondContact O-NH2 2.79Å; P215-R438 VanDerWaalsContact O-NH2 3.16Å; P215-V460 HydrophobicContact CG-CG1 3.6Å; P215-C463 HydrophobicContact CB-CB 4.07Å; P215-C463 HydrophobicContact CG-CB 4.38Å; P215-C463 WeakPolarHBondContact O-CB 3.3Å; P215-A464 HydrophobicContact CB-CB 4.14Å
216	C	95.8	Very high	94.2	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0	-177.9	-66.6	0	0	0	0	114.6	S214 M218 C463 W485 L487	S214-C216 PolarHBondContact O-N 3.39Å; S214-C216 PolarHBondContact OG-N 3.02Å; C216-M218 VanDerWaalsContact C-N 3.28Å; C216-M218 PolarHBondContact O-N 3.19Å; C216-M218 VanDerWaalsContact O-N 3.08Å; C216-C463 WeakPolarHBondContact CA-SG 3.47Å; C216-C463 HydrophobicContact CB-CB 3.84Å; C216-C463 WeakPolarHBondContact CB-SG 3.47Å; C216-C463 WeakPolarHBondContact SG-CB 3.28Å; C216-C463 CovalentContact SG-SG 2.04Å; C216-C463 PolarHBondContact SG-SG 2.89Å; C216-W485 HydrophobicContact CB-CB 4.13Å; C216-W485 WeakPolarHBondContact CB-O 3.22Å; C216-L487 PolarHBondContact O-N 2.93Å
217	L	94.6	Very high	94.3	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.188	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-80.4	79.7	167.1	-71	172.8	0	0	0	109.2	P161 S214 L487 S489 Y492	P161-L217 HydrophobicContact CG-CD1 4.37Å; S214-L217 PolarHBondContact O-N 2.94Å; L217-L487 WeakPolarHBondContact CA-O 3.41Å; L217-L487 HydrophobicContact CD2-CB 4.11Å; L217-L487 HydrophobicContact CD2-CD2 4.06Å; L217-L487 HydrophobicContact CD2-CG 4.27Å; L217-S489 PolarHBondContact O-OG 3.38Å; L217-Y492 HydrophobicContact CD1-CD1 3.89Å; L217-Y492 HydrophobicContact CD1-CE1 3.89Å; L217-Y492 HydrophobicContact CD2-CD1 3.64Å; L217-Y492 HydrophobicContact CD2-CD2 4.26Å; L217-Y492 HydrophobicContact CD2-CE1 4.33Å; L217-Y492 HydrophobicContact CD2-CG 3.58Å; L217-Y492 HydrophobicContact CG-CD1 4.43Å
218	M	94.1	Very high	94.4	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.039	32%	0.316	C	S	.	.	S	Bend	trans	-151.8	160.5	-179.7	66.4	168	73.6	0	0	111	P215 C216 Q222 L223 R438 C463 L486 L487 P488	P215-M218 WeakPolarHBondContact O-CE 3.29Å; C216-M218 VanDerWaalsContact C-N 3.28Å; C216-M218 PolarHBondContact O-N 3.19Å; C216-M218 VanDerWaalsContact O-N 3.08Å; M218-Q222 HydrophobicContact SD-CB 4.34Å; M218-L223 HydrophobicContact SD-CB 4.5Å; M218-L223 HydrophobicContact SD-CD1 4.31Å; M218-R438 VanDerWaalsContact CE-NH2 3.32Å; M218-C463 HydrophobicContact CE-CB 4.18Å; M218-C463 WeakPolarHBondContact CE-O 3.44Å; M218-L486 HydrophobicContact CG-CD1 3.64Å; M218-L487 PolarHBondContact N-O 3.25Å; M218-P488 WeakPolarHBondContact O-CA 3.3Å
219	E	94.6	Very high	94.7	Very high	61 Å²	61	55.3 Å²	55.3	29%	0.285	31%	0.306	S	S	.	.			trans	-75.7	149.7	173.7	-61.7	-61.2	147.2	0	0	110.6	N221 Q222 S489 S490	E219-N221 WeakPolarHBondContact CB-OD1 3.3Å; E219-N221 PolarHBondContact O-N 3.25Å; E219-Q222 WeakPolarHBondContact O-CB 3.4Å; E219-Q222 PolarHBondContact O-N 2.91Å; E219-S489 PolarHBondContact OE1-N 3.08Å; E219-S490 PolarHBondContact OE1-OG 3.39Å
220	E	92	Very high	94.9	Very high	143 Å²	143	55 Å²	55	67%	0.668	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62	-31.3	-174.4	-172.4	172	-170.5	0	0	112.8	Q222 L223 L486	E220-Q222 PolarHBondContact O-N 3.43Å; E220-L223 WeakPolarHBondContact O-CB 3.33Å; E220-L223 PolarHBondContact O-N 3.41Å; E220-L223 VanDerWaalsContact O-N 3.13Å; E220-L486 HydrophobicContact CB-CD2 4.42Å; E220-L486 HydrophobicContact CG-CD2 4.33Å
221	N	93.6	Very high	95.2	Very high	141 Å²	141	48.9 Å²	48.9	75%	0.754	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.6	175.5	66.8	-15.1	0	0	0	114.1	E219	E219-N221 WeakPolarHBondContact CB-OD1 3.3Å; E219-N221 PolarHBondContact O-N 3.25Å
222	Q	94.1	Very high	95.5	Very high	128 Å²	128	45.6 Å²	45.6	60%	0.598	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-97.2	-4.8	175	-64.7	172.7	-14.8	0	0	112.1	M218 E219 E220 P224	M218-Q222 HydrophobicContact SD-CB 4.34Å; E219-Q222 WeakPolarHBondContact O-CB 3.4Å; E219-Q222 PolarHBondContact O-N 2.91Å; E220-Q222 PolarHBondContact O-N 3.43Å; Q222-P224 WeakPolarHBondContact O-CD 3.48Å
223	L	95.9	Very high	95.8	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.204	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.1	125.6	-178.9	-176.1	67.8	0	0	0	109.9	M218 E220 W462 P483 L486	M218-L223 HydrophobicContact SD-CB 4.5Å; M218-L223 HydrophobicContact SD-CD1 4.31Å; E220-L223 WeakPolarHBondContact O-CB 3.33Å; E220-L223 PolarHBondContact O-N 3.41Å; E220-L223 VanDerWaalsContact O-N 3.13Å; L223-W462 HydrophobicContact CD2-CZ2 4.08Å; L223-P483 HydrophobicContact CD1-CG 3.56Å; L223-P483 HydrophobicContact CD2-CG 3.97Å; L223-P483 HydrophobicContact CG-CG 4.42Å; L223-L486 HydrophobicContact CD1-CD1 4.36Å; L223-L486 HydrophobicContact CD2-CD2 4.33Å
224	P	96.4	Very high	96.2	Very high	17 Å²	17	39.3 Å²	39.3	11%	0.11	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-62.9	159.9	173.9	-21.3	33.8	0	0	0	112	Q222 W462	Q222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-W462 PolarHBondContact O-NE1 3.49Å
225	P	96.4	Very high	96.4	Very high	89 Å²	89	38.3 Å²	38.3	58%	0.578	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-53.1	147.7	170.1	-20.5	33.4	0	0	0	111.2
226	K	97.8	Very high	96.5	Very high	77 Å²	77	38.1 Å²	38.1	34%	0.335	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-54.4	130	176.2	-176.1	176.9	173	171.7	0	110.1	A228 F458 W462 L477 K478 M480	K226-A228 PolarHBondContact O-N 3.09Å; K226-F458 HydrophobicContact CG-CE1 4.41Å; K226-F458 HydrophobicContact CG-CZ 4.14Å; K226-W462 HydrophobicContact CB-CH2 3.85Å; K226-W462 HydrophobicContact CB-CZ2 3.54Å; K226-W462 HydrophobicContact CD-CH2 3.99Å; K226-W462 HydrophobicContact CD-CZ3 4.24Å; K226-W462 HydrophobicContact CG-CD2 4.44Å; K226-W462 HydrophobicContact CG-CE3 4.33Å; K226-W462 HydrophobicContact CG-CH2 3.8Å; K226-W462 HydrophobicContact CG-CZ2 3.96Å; K226-W462 HydrophobicContact CG-CZ3 4.01Å; K226-L477 PolarHBondContact NZ-O 3.12Å; K226-K478 PolarHBondContact NZ-O 3.32Å; K226-M480 WeakPolarHBondContact CE-O 3.44Å; K226-M480 PolarHBondContact NZ-O 3.29Å
227	P	98.3	Very high	96.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.019	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-59.1	139	175.1	-23.8	32.7	0	0	0	111.3	F458 W462 V466 S467	P227-F458 HydrophobicContact CB-CE2 3.89Å; P227-F458 HydrophobicContact CB-CZ 4.14Å; P227-F458 HydrophobicContact CG-CE2 4.05Å; P227-F458 HydrophobicContact CG-CZ 4.11Å; P227-W462 VanDerWaalsContact CD-CG 3.44Å; P227-W462 HydrophobicContact CG-CB 3.9Å; P227-W462 HydrophobicContact CG-CG 4.14Å; P227-V466 HydrophobicContact CB-CG1 3.74Å; P227-V466 HydrophobicContact CG-CG1 3.46Å; P227-V466 VanDerWaalsContact CG-CG1 3.46Å; P227-S467 WeakPolarHBondContact CA-O 3.36Å
228	A	98.4	Very high	96.6	Very high	17 Å²	17	39.6 Å²	39.6	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	152.6	171.8	0	0	0	0	0	111	K226 Q256 S467 S468 V469	K226-A228 PolarHBondContact O-N 3.09Å; A228-Q256 HydrophobicContact CB-CB 4.48Å; A228-Q256 VanDerWaalsContact CB-CD 3.42Å; A228-Q256 HydrophobicContact CB-CG 4.11Å; A228-Q256 VanDerWaalsContact CB-OE1 3.24Å; A228-S467 PolarHBondContact N-O 3.34Å; A228-S468 CarbonylContact O-C 3.55Å; A228-S468 WeakPolarHBondContact O-CA 3.31Å; A228-S468 WeakPolarHBondContact O-CB 3.32Å; A228-V469 PolarHBondContact O-N 3.01Å
229	L	98.8	Very high	96.8	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.4	176.1	-57.6	-177.6	0	0	0	109.9	V255 Q256 F458 V469 T471 L477 K478	L229-V255 HydrophobicContact CB-CG1 4.17Å; L229-V255 CarbonylContact O-C 3.23Å; L229-V255 VanDerWaalsContact O-CA 3.25Å; L229-V255 WeakPolarHBondContact O-CA 3.23Å; L229-V255 WeakPolarHBondContact O-CB 3.29Å; L229-Q256 PolarHBondContact O-N 3.14Å; L229-F458 HydrophobicContact CD2-CE2 3.93Å; L229-F458 HydrophobicContact CD2-CZ 4.23Å; L229-V469 HydrophobicContact CD2-CG2 3.97Å; L229-T471 HydrophobicContact CD2-CG2 4.42Å; L229-L477 HydrophobicContact CD1-CB 4.23Å; L229-L477 HydrophobicContact CD2-CB 3.89Å; L229-L477 HydrophobicContact CD2-CD1 4.38Å; L229-K478 HydrophobicContact CD1-CB 4.06Å
230	V	98.8	Very high	97	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.6	170.1	176.9	0	0	0	0	106.4	H232 V257 E259 M356 N448 V469 T470 T471	V230-H232 PolarHBondContact O-N 3.33Å; V230-V257 WeakPolarHBondContact CA-O 3.25Å; V230-V257 HydrophobicContact CB-CB 4.26Å; V230-V257 HydrophobicContact CG1-CB 3.86Å; V230-V257 HydrophobicContact CG1-CG1 3.97Å; V230-V257 HydrophobicContact CG2-CB 3.93Å; V230-V257 HydrophobicContact CG2-CG2 4.14Å; V230-E259 HydrophobicContact CG1-CB 3.48Å; V230-E259 VanDerWaalsContact CG1-CB 3.48Å; V230-E259 HydrophobicContact CG1-CG 4.43Å; V230-M356 HydrophobicContact CG1-CE 4.02Å; V230-N448 WeakPolarHBondContact CG2-OD1 3.18Å; V230-V469 PolarHBondContact N-O 3.08Å; V230-T470 HydrophobicContact CG1-CG2 4.3Å; V230-T470 WeakPolarHBondContact CG1-OG1 3.47Å; V230-T470 WeakPolarHBondContact O-CA 3.37Å; V230-T471 PolarHBondContact O-N 3.29Å
231	G	98.4	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.1	-178.6	0	0	0	0	0	110.9	R233 G234 V257 E259	G231-R233 PolarHBondContact O-N 3.11Å; G231-G234 CarbonylContact C-O 3.57Å; G231-G234 WeakPolarHBondContact CA-O 3.36Å; G231-G234 PolarHBondContact O-N 3.4Å; G231-V257 PolarHBondContact N-O 3.36Å; G231-E259 PolarHBondContact O-N 2.88Å; G231-E259 VanDerWaalsContact O-O 3.12Å
232	H	98.2	Very high	97.5	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.06	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	116	-179.9	-176	-125.1	0	0	0	110	V230 G234 P236 E259 V451 T470 T471 N472	V230-H232 PolarHBondContact O-N 3.33Å; H232-G234 PolarHBondContact N-O 3.17Å; H232-G234 CarbonylContact O-C 3.54Å; H232-G234 PolarHBondContact O-N 2.95Å; H232-G234 VanDerWaalsContact O-N 3.1Å; H232-P236 WeakPolarHBondContact O-CD 3.42Å; H232-P236 VanDerWaalsContact O-CG 3.24Å; H232-P236 WeakPolarHBondContact O-CG 3.46Å; H232-E259 WeakPolarHBondContact CA-OE2 3.36Å; H232-E259 IonicContact CD2-OE1 3.74Å; H232-E259 IonicContact CD2-OE2 3.42Å; H232-E259 PolarHBondContact CD2-OE2 2.78Å; H232-E259 IonicContact CG-OE2 3.25Å; H232-V451 HydrophobicContact CB-CG1 4.31Å; H232-T470 HydrophobicContact CB-CG2 3.43Å; H232-T470 VanDerWaalsContact CB-CG2 3.43Å; H232-T471 WeakPolarHBondContact CB-O 3.48Å; H232-T471 PolarHBondContact N-O 3.04Å; H232-N472 PolarHBondContact ND1-OD1 3.19Å
233	R	98.1	Very high	97.7	Very high	13 Å²	13	17.6 Å²	17.6	5%	0.049	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	32.3	-172.6	-51.1	-176.5	-168	152.9	18.8	113.1	E73 G231 E241 N242 S246 E259 D261 H274	E73-R233 IonicContact OE1-NH1 2.75Å; G231-R233 PolarHBondContact O-N 3.11Å; R233-E241 HydrophobicContact CB-CB 3.92Å; R233-E241 IonicContact CZ-OE1 2.61Å; R233-E241 IonicContact NE-OE1 3.38Å; R233-E241 IonicContact NH1-OE1 3.78Å; R233-E241 PolarHBondContact NH1-OE1 3.16Å; R233-E241 IonicContact NH1-OE2 3.78Å; R233-N242 WeakPolarHBondContact CA-OD1 3.24Å; R233-N242 WeakPolarHBondContact CB-OD1 3.28Å; R233-N242 PolarHBondContact O-N 2.99Å; R233-S246 WeakPolarHBondContact O-CB 3.26Å; R233-S246 PolarHBondContact O-OG 3.29Å; R233-E259 WeakPolarHBondContact CA-O 3.29Å; R233-E259 PolarHBondContact N-O 3.25Å; R233-E259 PolarHBondContact N-OE2 3.47Å; R233-D261 IonicContact NE-OD2 2.69Å; R233-D261 PolarHBondContact NE-OD2 3.06Å; R233-H274 PolarHBondContact NE-CD2 2.75Å; R233-H274 PolarHBondContact NH2-CD2 3.35Å; R233-H274 PolarHBondContact NH2-CE1 3.26Å; R233-H274 PolarHBondContact NH2-NE2 2.96Å
234	G	97.9	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	84.8	-115.9	-167.1	0	0	0	0	0	113.6	G231 H232 S246 E259	G231-G234 CarbonylContact C-O 3.57Å; G231-G234 WeakPolarHBondContact CA-O 3.36Å; G231-G234 PolarHBondContact O-N 3.4Å; H232-G234 PolarHBondContact N-O 3.17Å; H232-G234 CarbonylContact O-C 3.54Å; H232-G234 PolarHBondContact O-N 2.95Å; H232-G234 VanDerWaalsContact O-N 3.1Å; G234-S246 WeakPolarHBondContact CA-OG 3.34Å; G234-E259 PolarHBondContact N-O 3.13Å
235	A	97.7	Very high	97.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.			trans	-131	72.1	178.6	0	0	0	0	0	111	M237 L238 A239 S246 K249 A250	A235-M237 PolarHBondContact O-N 2.96Å; A235-L238 HydrophobicContact CB-CB 4.19Å; A235-L238 HydrophobicContact CB-CD1 4.16Å; A235-L238 HydrophobicContact CB-CG 4.36Å; A235-L238 WeakPolarHBondContact O-CA 3.18Å; A235-L238 PolarHBondContact O-N 3.21Å; A235-A239 PolarHBondContact O-N 3.34Å; A235-S246 PolarHBondContact N-O 3.43Å; A235-S246 PolarHBondContact N-OG 2.93Å; A235-K249 HydrophobicContact CB-CB 3.88Å; A235-A250 HydrophobicContact CB-CB 3.99Å
236	P	96.5	Very high	98	Very high	3 Å²	3	13 Å²	13	2%	0.019	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.4	-169.2	24.8	-35.5	0	0	0	113.7	H232 L238 A239 E241 F313 F319 N472	H232-P236 WeakPolarHBondContact O-CD 3.42Å; H232-P236 VanDerWaalsContact O-CG 3.24Å; H232-P236 WeakPolarHBondContact O-CG 3.46Å; P236-L238 VanDerWaalsContact C-N 3.26Å; P236-A239 CarbonylContact C-O 3.27Å; P236-A239 VanDerWaalsContact CA-O 3.28Å; P236-A239 WeakPolarHBondContact CA-O 3.47Å; P236-E241 HydrophobicContact CB-CB 3.92Å; P236-F313 VanDerWaalsContact O-CE2 3.24Å; P236-F313 WeakPolarHBondContact O-CE2 3.32Å; P236-F319 HydrophobicContact CB-CE2 4.06Å; P236-F319 HydrophobicContact CB-CZ 4.38Å; P236-F319 WeakPolarHBondContact O-CD2 3.39Å; P236-F319 WeakPolarHBondContact O-CE2 3.47Å; P236-N472 HydrophobicContact CG-CB 3.87Å; P236-N472 WeakPolarHBondContact CG-OD1 3.3Å
237	M	96.2	Very high	98	Very high	32 Å²	32	9.3 Å²	9.3	16%	0.158	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.6	167.7	-71.4	-172.4	178.2	0	0	113.1	A235 F319 T321 N453 N472 A473	A235-M237 PolarHBondContact O-N 2.96Å; M237-F319 HydrophobicContact CB-CG 4.39Å; M237-F319 HydrophobicContact CE-CD1 3.93Å; M237-F319 HydrophobicContact CE-CE1 4.05Å; M237-F319 HydrophobicContact CG-CB 4.28Å; M237-F319 HydrophobicContact CG-CD1 3.65Å; M237-F319 HydrophobicContact CG-CD2 4.22Å; M237-F319 HydrophobicContact CG-CE1 3.96Å; M237-F319 HydrophobicContact CG-CG 3.78Å; M237-F319 HydrophobicContact CG-CZ 4.38Å; M237-T321 WeakPolarHBondContact O-CB 3.41Å; M237-T321 PolarHBondContact O-OG1 3.45Å; M237-N453 HydrophobicContact CE-CB 4.37Å; M237-N472 VanDerWaalsContact CB-O 3.27Å; M237-N472 WeakPolarHBondContact CB-O 3.43Å; M237-N472 HydrophobicContact CE-CB 3.95Å; M237-N472 HydrophobicContact CG-CB 4.01Å; M237-N472 WeakPolarHBondContact CG-O 3.29Å; M237-N472 HydrophobicContact SD-CB 4.4Å; M237-A473 HydrophobicContact CE-CB 3.98Å; M237-A473 HydrophobicContact SD-CB 3.55Å; M237-A473 VanDerWaalsContact SD-CB 3.55Å
238	L	97.4	Very high	98	Very high	36 Å²	36	13.8 Å²	13.8	19%	0.188	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-21.4	-176.6	-58.7	-177.9	0	0	0	113.5	A235 P236 K249 L325 Q475	A235-L238 HydrophobicContact CB-CB 4.19Å; A235-L238 HydrophobicContact CB-CD1 4.16Å; A235-L238 HydrophobicContact CB-CG 4.36Å; A235-L238 WeakPolarHBondContact O-CA 3.18Å; A235-L238 PolarHBondContact O-N 3.21Å; P236-L238 VanDerWaalsContact C-N 3.26Å; L238-K249 HydrophobicContact CB-CB 4.11Å; L238-K249 HydrophobicContact CB-CG 4.23Å; L238-K249 HydrophobicContact CD1-CB 4.27Å; L238-L325 WeakPolarHBondContact O-CD2 3.41Å; L238-Q475 HydrophobicContact CD1-CB 4.17Å; L238-Q475 HydrophobicContact CD2-CB 4.42Å; L238-Q475 HydrophobicContact CD2-CG 3.99Å
239	A	98.1	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-154.4	164.2	-174.8	0	0	0	0	0	110.7	A235 P236 E241 M245 K249	A235-A239 PolarHBondContact O-N 3.34Å; P236-A239 CarbonylContact C-O 3.27Å; P236-A239 VanDerWaalsContact CA-O 3.28Å; P236-A239 WeakPolarHBondContact CA-O 3.47Å; A239-E241 PolarHBondContact O-N 3.43Å; A239-M245 HydrophobicContact CB-CB 4.34Å; A239-M245 HydrophobicContact CB-CE 4.07Å; A239-M245 HydrophobicContact CB-CG 3.73Å; A239-M245 HydrophobicContact CB-SD 4.02Å; A239-K249 HydrophobicContact CB-CG 4.08Å
240	P	98.2	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.			trans	-59.3	127.8	175.3	-16	27.7	0	0	0	110.6	T243 S246 W312 F313 A333 Q336	P240-T243 HydrophobicContact CB-CG2 3.99Å; P240-T243 WeakPolarHBondContact O-CG2 3.36Å; P240-T243 PolarHBondContact O-OG1 3.36Å; P240-S246 VanDerWaalsContact O-CB 3.32Å; P240-S246 WeakPolarHBondContact O-CB 3.44Å; P240-W312 HydrophobicContact CB-CZ2 4.45Å; P240-F313 HydrophobicContact CB-CB 3.89Å; P240-F313 HydrophobicContact CB-CG 4.19Å; P240-F313 HydrophobicContact CG-CB 3.72Å; P240-F313 HydrophobicContact CG-CD1 3.89Å; P240-F313 HydrophobicContact CG-CG 3.92Å; P240-A333 HydrophobicContact CG-CB 4.01Å; P240-Q336 HydrophobicContact CG-CG 4.27Å
241	E	98	Very high	97.9	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.047	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	150.1	-177	75.4	-167.9	-119.4	0	0	113.2	R233 P236 A239 T243 R280 T281 W312	R233-E241 HydrophobicContact CB-CB 3.92Å; R233-E241 IonicContact CZ-OE1 2.61Å; R233-E241 IonicContact NE-OE1 3.38Å; R233-E241 IonicContact NH1-OE1 3.78Å; R233-E241 PolarHBondContact NH1-OE1 3.16Å; R233-E241 IonicContact NH1-OE2 3.78Å; P236-E241 HydrophobicContact CB-CB 3.92Å; A239-E241 PolarHBondContact O-N 3.43Å; E241-T243 PolarHBondContact O-N 3.44Å; E241-R280 VanDerWaalsContact CD-NH1 3.3Å; E241-R280 IonicContact OE1-CZ 2.65Å; E241-R280 IonicContact OE1-NH1 2.81Å; E241-R280 PolarHBondContact OE1-NH1 2.95Å; E241-R280 VanDerWaalsContact OE1-NH1 3.15Å; E241-R280 IonicContact OE1-NH2 3.85Å; E241-R280 PolarHBondContact OE1-NH2 2.87Å; E241-R280 IonicContact OE2-CZ 3.72Å; E241-R280 IonicContact OE2-NH1 3.82Å; E241-R280 PolarHBondContact OE2-NH1 2.92Å; E241-R280 IonicContact OE2-NH2 3.07Å; E241-T281 HydrophobicContact CG-CG2 4.23Å; E241-W312 HydrophobicContact CG-CH2 4.48Å; E241-W312 HydrophobicContact CG-CZ2 4.03Å
242	N	98.3	Very high	97.8	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.043	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	35.7	175.2	-77.7	-22.3	0	0	0	113.9	R233 T260 D261 L272 P339	R233-N242 WeakPolarHBondContact CA-OD1 3.24Å; R233-N242 WeakPolarHBondContact CB-OD1 3.28Å; R233-N242 PolarHBondContact O-N 2.99Å; N242-T260 PolarHBondContact OD1-OG1 3.49Å; N242-D261 PolarHBondContact ND2-OD2 2.83Å; N242-L272 HydrophobicContact CB-CB 4.05Å; N242-L272 HydrophobicContact CB-CD2 4.35Å; N242-P339 WeakPolarHBondContact O-CD 3.32Å; N242-P339 VanDerWaalsContact O-CG 3.29Å; N242-P339 WeakPolarHBondContact O-CG 3.3Å
243	T	98.6	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.113	C	C	.	.	S	Bend	trans	-121	159.4	173.5	66.3	0	0	0	0	111.5	P240 E241 M245 S246 L247 A309 Q336	P240-T243 HydrophobicContact CB-CG2 3.99Å; P240-T243 WeakPolarHBondContact O-CG2 3.36Å; P240-T243 PolarHBondContact O-OG1 3.36Å; E241-T243 PolarHBondContact O-N 3.44Å; T243-M245 PolarHBondContact O-N 3.31Å; T243-S246 WeakPolarHBondContact O-CA 3.39Å; T243-S246 WeakPolarHBondContact O-CB 3.49Å; T243-S246 PolarHBondContact O-N 3.04Å; T243-S246 PolarHBondContact OG1-N 3.32Å; T243-L247 PolarHBondContact O-N 3.48Å; T243-L247 VanDerWaalsContact O-N 3.13Å; T243-A309 HydrophobicContact CG2-CB 4.47Å; T243-Q336 HydrophobicContact CG2-CB 3.74Å; T243-Q336 HydrophobicContact CG2-CG 4.14Å
244	L	98.4	Very high	97.6	Very high	47 Å²	47	24.3 Å²	24.3	25%	0.246	14%	0.137	C	C	.	.	H	α-helix	trans	-59	-36.5	175.1	-66.5	178	0	0	0	112	S246 L247 H248 P339 Q343 V344 A347	L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.95Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.44Å; L244-H248 PolarHBondContact O-CD2 3.21Å; L244-H248 VanDerWaalsContact O-CG 3.24Å; L244-H248 PolarHBondContact O-N 3.08Å; L244-P339 HydrophobicContact CD2-CB 4.24Å; L244-P339 HydrophobicContact CG-CB 4.1Å; L244-Q343 HydrophobicContact CD2-CB 4.3Å; L244-V344 HydrophobicContact CD2-CG2 4.18Å; L244-A347 HydrophobicContact CD2-CB 4.47Å
245	M	98.1	Very high	97.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-40.9	172.6	-178.7	-174.5	175.7	0	0	111.9	A239 T243 H248 K249 D329 Q332 A333 Q336	A239-M245 HydrophobicContact CB-CB 4.34Å; A239-M245 HydrophobicContact CB-CE 4.07Å; A239-M245 HydrophobicContact CB-CG 3.73Å; A239-M245 HydrophobicContact CB-SD 4.02Å; T243-M245 PolarHBondContact O-N 3.31Å; M245-H248 PolarHBondContact O-N 2.83Å; M245-K249 HydrophobicContact CG-CG 4.44Å; M245-K249 WeakPolarHBondContact O-CB 3.48Å; M245-K249 VanDerWaalsContact O-CG 3.31Å; M245-K249 WeakPolarHBondContact O-CG 3.29Å; M245-K249 PolarHBondContact O-N 3.41Å; M245-D329 HydrophobicContact CE-CB 4Å; M245-D329 WeakPolarHBondContact CE-O 3.44Å; M245-Q332 HydrophobicContact CE-CB 4.37Å; M245-Q332 HydrophobicContact CG-CG 4.23Å; M245-Q332 HydrophobicContact SD-CB 4.08Å; M245-Q332 HydrophobicContact SD-CG 3.83Å; M245-A333 HydrophobicContact CE-CB 4.26Å; M245-A333 VanDerWaalsContact SD-CA 3.59Å; M245-A333 HydrophobicContact SD-CB 3.91Å; M245-Q336 HydrophobicContact CB-CG 3.97Å; M245-Q336 VanDerWaalsContact CB-OE1 3.26Å; M245-Q336 HydrophobicContact SD-CG 4.38Å
246	S	98.4	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176	-159.7	0	0	0	0	112.2	R233 G234 A235 P240 T243 L244 K249 A250	R233-S246 WeakPolarHBondContact O-CB 3.26Å; R233-S246 PolarHBondContact O-OG 3.29Å; G234-S246 WeakPolarHBondContact CA-OG 3.34Å; A235-S246 PolarHBondContact N-O 3.43Å; A235-S246 PolarHBondContact N-OG 2.93Å; P240-S246 VanDerWaalsContact O-CB 3.32Å; P240-S246 WeakPolarHBondContact O-CB 3.44Å; T243-S246 WeakPolarHBondContact O-CA 3.39Å; T243-S246 WeakPolarHBondContact O-CB 3.49Å; T243-S246 PolarHBondContact O-N 3.04Å; T243-S246 PolarHBondContact OG1-N 3.32Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.95Å; S246-K249 PolarHBondContact O-N 2.81Å; S246-A250 WeakPolarHBondContact O-CB 3.39Å; S246-A250 PolarHBondContact O-N 3.16Å
247	L	98.1	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-46.6	178.1	-58.4	179.7	0	0	0	111.3	T243 L244 K249 A250 V251 F258 V344	T243-L247 PolarHBondContact O-N 3.48Å; T243-L247 VanDerWaalsContact O-N 3.13Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.44Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.11Å; L247-A250 WeakPolarHBondContact O-CA 3.33Å; L247-A250 WeakPolarHBondContact O-CB 3.41Å; L247-A250 PolarHBondContact O-N 2.96Å; L247-V251 PolarHBondContact O-N 3.4Å; L247-F258 HydrophobicContact CB-CE1 4.38Å; L247-F258 HydrophobicContact CB-CE2 4.31Å; L247-F258 HydrophobicContact CB-CZ 4.21Å; L247-F258 HydrophobicContact CD2-CB 3.92Å; L247-F258 HydrophobicContact CD2-CD1 4.01Å; L247-F258 HydrophobicContact CD2-CD2 4.16Å; L247-F258 HydrophobicContact CD2-CG 3.78Å; L247-F258 WeakPolarHBondContact O-CE1 3.34Å; L247-V344 HydrophobicContact CD1-CB 4.12Å; L247-V344 HydrophobicContact CD1-CG1 3.6Å; L247-V344 HydrophobicContact CD1-CG2 3.74Å
248	H	97.5	Very high	97.8	Very high	96 Å²	96	29.6 Å²	29.6	44%	0.444	16%	0.163	S	C	.	.	H	α-helix	trans	-61.3	-38.5	177.3	-67	176.2	0	0	0	112.4	L244 M245 A250 V251	L244-H248 PolarHBondContact O-CD2 3.21Å; L244-H248 VanDerWaalsContact O-CG 3.24Å; L244-H248 PolarHBondContact O-N 3.08Å; M245-H248 PolarHBondContact O-N 2.83Å; H248-A250 VanDerWaalsContact C-N 3.31Å; H248-V251 WeakPolarHBondContact O-CB 3.21Å; H248-V251 PolarHBondContact O-N 3.42Å
249	K	97.9	Very high	97.8	Very high	61 Å²	61	28.4 Å²	28.4	27%	0.265	16%	0.156	S	C	.	.	H	α-helix	trans	-65.8	-35.8	173.5	-72.7	-65.9	-176.8	-178.6	0	111.7	A235 L238 A239 M245 S246 L247 V251 G252 D329	A235-K249 HydrophobicContact CB-CB 3.88Å; L238-K249 HydrophobicContact CB-CB 4.11Å; L238-K249 HydrophobicContact CB-CG 4.23Å; L238-K249 HydrophobicContact CD1-CB 4.27Å; A239-K249 HydrophobicContact CB-CG 4.08Å; M245-K249 HydrophobicContact CG-CG 4.44Å; M245-K249 WeakPolarHBondContact O-CB 3.48Å; M245-K249 VanDerWaalsContact O-CG 3.31Å; M245-K249 WeakPolarHBondContact O-CG 3.29Å; M245-K249 PolarHBondContact O-N 3.41Å; S246-K249 PolarHBondContact O-N 2.81Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.11Å; K249-V251 VanDerWaalsContact C-N 3.34Å; K249-G252 PolarHBondContact O-N 3.49Å; K249-D329 WeakPolarHBondContact CE-OD1 3.02Å; K249-D329 VanDerWaalsContact NZ-CG 3.29Å; K249-D329 IonicContact NZ-OD1 3.75Å; K249-D329 PolarHBondContact NZ-OD1 3.49Å; K249-D329 IonicContact NZ-OD2 2.65Å; K249-D329 PolarHBondContact NZ-OD2 2.91Å
250	A	98	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-33.5	176.4	0	0	0	0	0	112.6	A235 S246 L247 H248 G252 C253 V255 F258	A235-A250 HydrophobicContact CB-CB 3.99Å; S246-A250 WeakPolarHBondContact O-CB 3.39Å; S246-A250 PolarHBondContact O-N 3.16Å; L247-A250 WeakPolarHBondContact O-CA 3.33Å; L247-A250 WeakPolarHBondContact O-CB 3.41Å; L247-A250 PolarHBondContact O-N 2.96Å; H248-A250 VanDerWaalsContact C-N 3.31Å; A250-G252 PolarHBondContact O-N 3.43Å; A250-C253 WeakPolarHBondContact O-CA 3.37Å; A250-C253 VanDerWaalsContact O-CB 3.28Å; A250-C253 WeakPolarHBondContact O-CB 3.32Å; A250-C253 PolarHBondContact O-N 2.87Å; A250-V255 HydrophobicContact CB-CG1 4.26Å; A250-V255 HydrophobicContact CB-CG2 3.81Å; A250-V255 WeakPolarHBondContact O-CG2 3.34Å; A250-F258 HydrophobicContact CB-CD1 4.23Å; A250-F258 HydrophobicContact CB-CE1 3.96Å
251	V	97.7	Very high	97.8	Very high	55 Å²	55	28.5 Å²	28.5	33%	0.333	16%	0.156	S	C	.	.	H	α-helix	trans	-54.3	-43.2	170.8	-178.8	0	0	0	0	110.8	L247 H248 K249 C253 D254 F258 I353	L247-V251 PolarHBondContact O-N 3.4Å; H248-V251 WeakPolarHBondContact O-CB 3.21Å; H248-V251 PolarHBondContact O-N 3.42Å; K249-V251 VanDerWaalsContact C-N 3.34Å; V251-C253 PolarHBondContact O-N 3.11Å; V251-C253 VanDerWaalsContact O-N 3.14Å; V251-D254 PolarHBondContact O-N 3.25Å; V251-F258 HydrophobicContact CG2-CE1 4.18Å; V251-F258 HydrophobicContact CG2-CZ 3.68Å; V251-I353 HydrophobicContact CB-CD1 4.45Å; V251-I353 HydrophobicContact CG1-CD1 4.49Å; V251-I353 HydrophobicContact CG2-CD1 3.88Å
252	G	95.9	Very high	97.8	Very high	52 Å²	52	28 Å²	28	54%	0.536	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.4	177	0	0	0	0	0	114.5	K249 A250 K478	K249-G252 PolarHBondContact O-N 3.49Å; A250-G252 PolarHBondContact O-N 3.43Å; G252-K478 PolarHBondContact O-NZ 2.97Å
253	C	96.2	Very high	97.7	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.027	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.2	174.2	-70.3	0	0	0	0	113.9	A250 V251 V255 C474 Q475	A250-C253 WeakPolarHBondContact O-CA 3.37Å; A250-C253 VanDerWaalsContact O-CB 3.28Å; A250-C253 WeakPolarHBondContact O-CB 3.32Å; A250-C253 PolarHBondContact O-N 2.87Å; V251-C253 PolarHBondContact O-N 3.11Å; V251-C253 VanDerWaalsContact O-N 3.14Å; C253-V255 HydrophobicContact CB-CG1 4.01Å; C253-V255 PolarHBondContact O-N 3.49Å; C253-C474 HydrophobicContact CB-CB 3.35Å; C253-C474 WeakPolarHBondContact CB-SG 3.46Å; C253-C474 WeakPolarHBondContact SG-CB 3.27Å; C253-C474 CovalentContact SG-SG 2.06Å; C253-C474 PolarHBondContact SG-SG 3.3Å; C253-Q475 PolarHBondContact SG-N 2.87Å
254	D	95.6	Very high	97.7	Very high	104 Å²	104	27.8 Å²	27.8	56%	0.556	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.2	-176.6	-48.5	-21.6	0	0	0	112.9	V251 K478	V251-D254 PolarHBondContact O-N 3.25Å; D254-K478 HydrophobicContact CB-CD 4.44Å; D254-K478 IonicContact OD1-NZ 3.89Å; D254-K478 PolarHBondContact OD1-NZ 2.99Å; D254-K478 WeakPolarHBondContact OD2-CE 3.48Å; D254-K478 IonicContact OD2-NZ 2.74Å; D254-K478 PolarHBondContact OD2-NZ 3.45Å
255	V	97.9	Very high	97.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	14%	0.142	C	C	.	.			trans	-67	141.2	174.3	-56.3	0	0	0	0	109.9	L229 A250 C253 F258 I353 C474	L229-V255 HydrophobicContact CB-CG1 4.17Å; L229-V255 CarbonylContact O-C 3.23Å; L229-V255 VanDerWaalsContact O-CA 3.25Å; L229-V255 WeakPolarHBondContact O-CA 3.23Å; L229-V255 WeakPolarHBondContact O-CB 3.29Å; A250-V255 HydrophobicContact CB-CG1 4.26Å; A250-V255 HydrophobicContact CB-CG2 3.81Å; A250-V255 WeakPolarHBondContact O-CG2 3.34Å; C253-V255 HydrophobicContact CB-CG1 4.01Å; C253-V255 PolarHBondContact O-N 3.49Å; V255-F258 HydrophobicContact CG2-CD1 3.8Å; V255-F258 HydrophobicContact CG2-CE1 3.69Å; V255-I353 HydrophobicContact CG2-CD1 4.3Å; V255-C474 HydrophobicContact CG1-CB 4.21Å
256	Q	98.1	Very high	97.5	Very high	126 Å²	126	28.5 Å²	28.5	59%	0.589	17%	0.166	S	C	*	.	S	Bend	trans	-91.7	-18.6	177.6	-66	-174.4	0.7	0	0	112.5	A228 L229 S354	A228-Q256 HydrophobicContact CB-CB 4.48Å; A228-Q256 VanDerWaalsContact CB-CD 3.42Å; A228-Q256 HydrophobicContact CB-CG 4.11Å; A228-Q256 VanDerWaalsContact CB-OE1 3.24Å; L229-Q256 PolarHBondContact O-N 3.14Å; Q256-S354 PolarHBondContact O-N 3.01Å; Q256-S354 VanDerWaalsContact O-N 3.1Å
257	V	98.6	Very high	97.5	Very high	16 Å²	16	32.1 Å²	32.1	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.9	-177.3	-176.9	0	0	0	0	108.5	V230 G231 S354 M356 L389	V230-V257 WeakPolarHBondContact CA-O 3.25Å; V230-V257 HydrophobicContact CB-CB 4.26Å; V230-V257 HydrophobicContact CG1-CB 3.86Å; V230-V257 HydrophobicContact CG1-CG1 3.97Å; V230-V257 HydrophobicContact CG2-CB 3.93Å; V230-V257 HydrophobicContact CG2-CG2 4.14Å; G231-V257 PolarHBondContact N-O 3.36Å; V257-S354 CarbonylContact C-O 3.52Å; V257-S354 WeakPolarHBondContact CA-O 3.4Å; V257-M356 HydrophobicContact CG1-CB 3.62Å; V257-L389 HydrophobicContact CB-CD1 4.5Å; V257-L389 HydrophobicContact CG1-CD1 3.85Å; V257-L389 HydrophobicContact CG2-CD1 3.76Å
258	F	98.6	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.3	160.2	-61.9	-36.2	0	0	0	108.5	L247 A250 V251 V255 A348 I353 S354 I355 M356	L247-F258 HydrophobicContact CB-CE1 4.38Å; L247-F258 HydrophobicContact CB-CE2 4.31Å; L247-F258 HydrophobicContact CB-CZ 4.21Å; L247-F258 HydrophobicContact CD2-CB 3.92Å; L247-F258 HydrophobicContact CD2-CD1 4.01Å; L247-F258 HydrophobicContact CD2-CD2 4.16Å; L247-F258 HydrophobicContact CD2-CG 3.78Å; L247-F258 WeakPolarHBondContact O-CE1 3.34Å; A250-F258 HydrophobicContact CB-CD1 4.23Å; A250-F258 HydrophobicContact CB-CE1 3.96Å; V251-F258 HydrophobicContact CG2-CE1 4.18Å; V251-F258 HydrophobicContact CG2-CZ 3.68Å; V255-F258 HydrophobicContact CG2-CD1 3.8Å; V255-F258 HydrophobicContact CG2-CE1 3.69Å; F258-A348 HydrophobicContact CD2-CB 4.2Å; F258-A348 HydrophobicContact CE2-CB 4.42Å; F258-I353 HydrophobicContact CD1-CG2 3.82Å; F258-I353 HydrophobicContact CD2-CB 4.38Å; F258-I353 HydrophobicContact CD2-CG2 3.73Å; F258-I353 HydrophobicContact CE1-CD1 3.77Å; F258-I353 HydrophobicContact CE1-CG2 3.87Å; F258-I353 HydrophobicContact CE2-CB 4.03Å; F258-I353 HydrophobicContact CE2-CD1 4.31Å; F258-I353 HydrophobicContact CE2-CG2 3.8Å; F258-I353 HydrophobicContact CG-CG2 3.74Å; F258-I353 HydrophobicContact CZ-CB 4.12Å; F258-I353 HydrophobicContact CZ-CD1 3.56Å; F258-I353 HydrophobicContact CZ-CG1 4.44Å; F258-I353 HydrophobicContact CZ-CG2 3.87Å; F258-S354 PolarHBondContact N-O 3.26Å; F258-I355 CarbonylContact O-C 3.59Å; F258-I355 WeakPolarHBondContact O-CA 3.49Å; F258-M356 PolarHBondContact O-N 3.43Å; F258-M356 VanDerWaalsContact O-O 3.14Å
259	E	98.4	Very high	97.4	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.7	167.4	-174.3	-80.4	177.3	0	0	108.8	V230 G231 H232 R233 G234 M356 T470	V230-E259 HydrophobicContact CG1-CB 3.48Å; V230-E259 VanDerWaalsContact CG1-CB 3.48Å; V230-E259 HydrophobicContact CG1-CG 4.43Å; G231-E259 PolarHBondContact O-N 2.88Å; G231-E259 VanDerWaalsContact O-O 3.12Å; H232-E259 WeakPolarHBondContact CA-OE2 3.36Å; H232-E259 IonicContact CD2-OE1 3.74Å; H232-E259 IonicContact CD2-OE2 3.42Å; H232-E259 PolarHBondContact CD2-OE2 2.78Å; H232-E259 IonicContact CG-OE2 3.25Å; R233-E259 WeakPolarHBondContact CA-O 3.29Å; R233-E259 PolarHBondContact N-O 3.25Å; R233-E259 PolarHBondContact N-OE2 3.47Å; G234-E259 PolarHBondContact N-O 3.13Å; E259-M356 CarbonylContact C-O 3.53Å; E259-M356 VanDerWaalsContact CA-O 3.25Å; E259-M356 WeakPolarHBondContact CA-O 3.24Å; E259-M356 HydrophobicContact CB-CE 4.15Å; E259-M356 HydrophobicContact CG-CE 3.78Å; E259-T470 HydrophobicContact CB-CG2 4.21Å; E259-T470 HydrophobicContact CG-CG2 4.16Å
260	T	97.6	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	168.9	-175.1	-172.9	0	0	0	0	111.9	N242 L272 I355 M356 F357 D358	N242-T260 PolarHBondContact OD1-OG1 3.49Å; T260-L272 HydrophobicContact CG2-CD2 4.44Å; T260-L272 HydrophobicContact CG2-CG 4.46Å; T260-L272 WeakPolarHBondContact OG1-CD2 3.3Å; T260-L272 WeakPolarHBondContact OG1-CG 3.42Å; T260-I355 HydrophobicContact CG2-CD1 4.06Å; T260-I355 HydrophobicContact CG2-CG1 4.15Å; T260-M356 PolarHBondContact N-O 3.14Å; T260-F357 HydrophobicContact CG2-CB 3.68Å; T260-F357 WeakPolarHBondContact O-CA 3.07Å; T260-F357 VanDerWaalsContact O-CB 3.3Å; T260-F357 WeakPolarHBondContact O-CB 3.45Å; T260-D358 PolarHBondContact O-N 3.26Å; T260-D358 VanDerWaalsContact O-N 3.11Å
261	D	97.4	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	175	-53.9	-88.2	0	0	0	110.4	R233 N242 L272 M273 H274 R360	R233-D261 IonicContact NE-OD2 2.69Å; R233-D261 PolarHBondContact NE-OD2 3.06Å; N242-D261 PolarHBondContact ND2-OD2 2.83Å; D261-L272 CarbonylContact O-C 3.54Å; D261-L272 WeakPolarHBondContact O-CA 3.38Å; D261-M273 VanDerWaalsContact CB-O 3.31Å; D261-M273 WeakPolarHBondContact CB-O 3.37Å; D261-M273 PolarHBondContact O-N 3.18Å; D261-H274 HydrophobicContact CB-CB 4.25Å; D261-H274 IonicContact OD1-CD2 2.87Å; D261-H274 PolarHBondContact OD1-CD2 3.36Å; D261-H274 VanDerWaalsContact OD1-CD2 3.3Å; D261-H274 VanDerWaalsContact OD2-CB 3.31Å; D261-H274 WeakPolarHBondContact OD2-CB 3.34Å; D261-H274 IonicContact OD2-CD2 3.54Å; D261-H274 PolarHBondContact OD2-CD2 3.43Å; D261-H274 IonicContact OD2-CG 2.75Å; D261-R360 IonicContact OD1-CZ 3.81Å; D261-R360 IonicContact OD1-NE 3.9Å; D261-R360 IonicContact OD1-NH2 2.82Å
262	V	98.1	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.5	178.4	178.5	0	0	0	0	110.2	P270 F271 L341 F357 D358 L359 R360	V262-P270 HydrophobicContact CG1-CB 3.97Å; V262-F271 WeakPolarHBondContact CA-O 3.38Å; V262-L341 HydrophobicContact CG1-CD2 4.39Å; V262-L341 HydrophobicContact CG2-CD1 3.97Å; V262-F357 HydrophobicContact CB-CD2 4.18Å; V262-F357 HydrophobicContact CG2-CB 3.9Å; V262-F357 HydrophobicContact CG2-CD2 3.81Å; V262-F357 HydrophobicContact CG2-CG 3.89Å; V262-D358 PolarHBondContact N-O 2.94Å; V262-L359 HydrophobicContact CB-CD1 4.17Å; V262-L359 HydrophobicContact CG1-CD1 3.84Å; V262-R360 PolarHBondContact O-N 3.15Å
263	M	97.3	Very high	97.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	167.4	167.5	-64.6	-80.2	-178.7	0	0	108.7	P270 F271 M273 T297 R360	M263-P270 CarbonylContact O-C 3.6Å; M263-P270 VanDerWaalsContact O-CA 3.3Å; M263-P270 WeakPolarHBondContact O-CA 3.4Å; M263-F271 HydrophobicContact CB-CD1 4.32Å; M263-F271 HydrophobicContact CB-CD2 4.39Å; M263-F271 HydrophobicContact CB-CE1 3.76Å; M263-F271 HydrophobicContact CB-CE2 3.87Å; M263-F271 HydrophobicContact CB-CZ 3.52Å; M263-F271 HydrophobicContact CG-CE2 4.49Å; M263-F271 HydrophobicContact CG-CZ 4.39Å; M263-F271 PolarHBondContact N-O 3.45Å; M263-F271 PolarHBondContact O-N 3.37Å; M263-M273 WeakPolarHBondContact CE-O 3.33Å; M263-M273 HydrophobicContact CG-CB 3.92Å; M263-M273 VanDerWaalsContact CG-O 3.31Å; M263-M273 WeakPolarHBondContact CG-O 3.27Å; M263-T297 HydrophobicContact SD-CG2 4.44Å; M263-R360 HydrophobicContact CE-CB 3.52Å; M263-R360 HydrophobicContact CE-CG 4.47Å; M263-R360 VanDerWaalsContact SD-C 3.58Å; M263-R360 HydrophobicContact SD-CB 3.64Å; M263-R360 VanDerWaalsContact SD-O 3.34Å
264	V	97.7	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.9	175.5	-176.7	0	0	0	0	109.6	P270 T297 L359 F370 A373	V264-P270 HydrophobicContact CG2-CB 4.31Å; V264-P270 HydrophobicContact CG2-CG 4.31Å; V264-T297 WeakPolarHBondContact O-CA 3.29Å; V264-T297 WeakPolarHBondContact O-CB 3.25Å; V264-T297 WeakPolarHBondContact O-CG2 3.23Å; V264-L359 HydrophobicContact CG2-CD1 4.37Å; V264-F370 HydrophobicContact CB-CB 4.28Å; V264-F370 HydrophobicContact CB-CD1 3.54Å; V264-F370 HydrophobicContact CB-CD2 4.43Å; V264-F370 HydrophobicContact CB-CE1 3.9Å; V264-F370 HydrophobicContact CB-CG 3.84Å; V264-F370 HydrophobicContact CB-CZ 4.48Å; V264-F370 HydrophobicContact CG1-CD1 3.85Å; V264-F370 HydrophobicContact CG1-CE1 4.2Å; V264-F370 HydrophobicContact CG2-CB 3.68Å; V264-F370 HydrophobicContact CG2-CD1 3.95Å; V264-F370 HydrophobicContact CG2-CD2 4.49Å; V264-F370 HydrophobicContact CG2-CG 3.8Å; V264-A373 HydrophobicContact CG1-CB 4.35Å
265	S	97.3	Very high	97.4	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.021	12%	0.122	C	C	.	.			trans	-71.6	167.2	-179.4	64.8	0	0	0	0	111.5	D267 G268 V269 F299	S265-D267 VanDerWaalsContact CB-OD1 3.22Å; S265-D267 WeakPolarHBondContact CB-OD1 3.47Å; S265-D267 PolarHBondContact O-N 2.86Å; S265-D267 PolarHBondContact OG-OD1 3.46Å; S265-G268 PolarHBondContact O-N 3.34Å; S265-V269 PolarHBondContact N-O 3.47Å; S265-V269 WeakPolarHBondContact OG-CA 3.33Å; S265-V269 WeakPolarHBondContact OG-CB 3.41Å; S265-V269 PolarHBondContact OG-N 3.39Å; S265-V269 PolarHBondContact OG-O 2.89Å; S265-F299 VanDerWaalsContact CB-O 3.29Å; S265-F299 WeakPolarHBondContact CB-O 3.16Å
266	A	96.1	Very high	97.2	Very high	61 Å²	61	25.1 Å²	25.1	50%	0.504	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.3	-180	0	0	0	0	0	113	T297 F299 N300	A266-T297 WeakPolarHBondContact CA-O 3.37Å; A266-T297 WeakPolarHBondContact CB-O 3.36Å; A266-T297 PolarHBondContact N-O 2.73Å; A266-T297 VanDerWaalsContact N-O 3.12Å; A266-F299 PolarHBondContact N-O 3.25Å; A266-N300 WeakPolarHBondContact CB-OD1 3.4Å
267	D	97	Very high	97	Very high	75 Å²	75	23.4 Å²	23.4	40%	0.401	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.9	174.7	56.8	-13.3	0	0	0	113.7	S265 N300 W301	S265-D267 VanDerWaalsContact CB-OD1 3.22Å; S265-D267 WeakPolarHBondContact CB-OD1 3.47Å; S265-D267 PolarHBondContact O-N 2.86Å; S265-D267 PolarHBondContact OG-OD1 3.46Å; D267-N300 WeakPolarHBondContact OD1-CA 3.35Å; D267-W301 PolarHBondContact OD1-N 2.95Å; D267-W301 PolarHBondContact OD2-N 3.11Å; D267-W301 VanDerWaalsContact OD2-N 3.09Å
268	G	96.6	Very high	96.9	Very high	33 Å²	33	22.7 Å²	22.7	34%	0.34	13%	0.131	S	C	.	.	S	Bend	trans	85.1	15.8	167.4	0	0	0	0	0	115.9	S265 P270	S265-G268 PolarHBondContact O-N 3.34Å; G268-P270 WeakPolarHBondContact O-CD 3.47Å
269	V	98.3	Very high	96.7	Very high	42 Å²	42	23.4 Å²	23.4	26%	0.255	14%	0.135	S	C	.	.			trans	-92.4	120.1	178.6	-176.7	0	0	0	0	110	S265 W301	S265-V269 PolarHBondContact N-O 3.47Å; S265-V269 WeakPolarHBondContact OG-CA 3.33Å; S265-V269 WeakPolarHBondContact OG-CB 3.41Å; S265-V269 PolarHBondContact OG-N 3.39Å; S265-V269 PolarHBondContact OG-O 2.89Å; V269-W301 HydrophobicContact CB-CB 3.93Å; V269-W301 HydrophobicContact CB-CD2 4.28Å; V269-W301 HydrophobicContact CB-CG 4Å; V269-W301 HydrophobicContact CG1-CB 4.36Å; V269-W301 HydrophobicContact CG1-CD2 3.79Å; V269-W301 HydrophobicContact CG1-CE3 4.13Å; V269-W301 HydrophobicContact CG1-CG 3.87Å; V269-W301 HydrophobicContact CG2-CB 3.75Å; V269-W301 HydrophobicContact CG2-CG 3.99Å
270	P	98.5	Very high	96.6	Very high	4 Å²	4	23 Å²	23	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.8	174.4	-19.4	34.1	0	0	0	112.1	V262 M263 V264 G268 L341 A373 T377	V262-P270 HydrophobicContact CG1-CB 3.97Å; M263-P270 CarbonylContact O-C 3.6Å; M263-P270 VanDerWaalsContact O-CA 3.3Å; M263-P270 WeakPolarHBondContact O-CA 3.4Å; V264-P270 HydrophobicContact CG2-CB 4.31Å; V264-P270 HydrophobicContact CG2-CG 4.31Å; G268-P270 WeakPolarHBondContact O-CD 3.47Å; P270-L341 HydrophobicContact CB-CB 3.8Å; P270-L341 HydrophobicContact CB-CD2 3.89Å; P270-L341 PolarHBondContact O-N 3.35Å; P270-A373 HydrophobicContact CG-CB 4.13Å; P270-T377 WeakPolarHBondContact CG-OG1 3.44Å
271	F	98.6	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.9	-176.9	69.9	-87.4	0	0	0	112.1	V262 M263 M273 W301 L304 I338 P339	V262-F271 WeakPolarHBondContact CA-O 3.38Å; M263-F271 HydrophobicContact CB-CD1 4.32Å; M263-F271 HydrophobicContact CB-CD2 4.39Å; M263-F271 HydrophobicContact CB-CE1 3.76Å; M263-F271 HydrophobicContact CB-CE2 3.87Å; M263-F271 HydrophobicContact CB-CZ 3.52Å; M263-F271 HydrophobicContact CG-CE2 4.49Å; M263-F271 HydrophobicContact CG-CZ 4.39Å; M263-F271 PolarHBondContact N-O 3.45Å; M263-F271 PolarHBondContact O-N 3.37Å; F271-M273 HydrophobicContact CD2-CB 4Å; F271-M273 HydrophobicContact CE2-CB 3.57Å; F271-M273 HydrophobicContact CE2-CG 4.34Å; F271-W301 HydrophobicContact CB-CE3 4.18Å; F271-W301 HydrophobicContact CB-CH2 4.31Å; F271-W301 HydrophobicContact CB-CZ3 3.52Å; F271-W301 HydrophobicContact CG-CZ3 4.23Å; F271-L304 HydrophobicContact CD1-CD1 3.74Å; F271-L304 HydrophobicContact CD2-CD1 4.32Å; F271-L304 HydrophobicContact CE1-CD1 3.5Å; F271-L304 VanDerWaalsContact CE1-CD1 3.5Å; F271-L304 HydrophobicContact CE2-CD1 4.09Å; F271-L304 HydrophobicContact CE2-CD2 4.45Å; F271-L304 HydrophobicContact CG-CD1 4.15Å; F271-L304 HydrophobicContact CZ-CD1 3.67Å; F271-L304 HydrophobicContact CZ-CD2 4.4Å; F271-I338 HydrophobicContact CB-CG2 4.23Å; F271-I338 HydrophobicContact CD2-CG2 3.54Å; F271-I338 HydrophobicContact CE2-CG2 4.33Å; F271-I338 HydrophobicContact CG-CG2 4.27Å; F271-P339 WeakPolarHBondContact CA-O 3.38Å
272	L	98.3	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.8	-177.6	-80.8	61.3	0	0	0	112.6	N242 T260 D261 I338 P339 V344	N242-L272 HydrophobicContact CB-CB 4.05Å; N242-L272 HydrophobicContact CB-CD2 4.35Å; T260-L272 HydrophobicContact CG2-CD2 4.44Å; T260-L272 HydrophobicContact CG2-CG 4.46Å; T260-L272 WeakPolarHBondContact OG1-CD2 3.3Å; T260-L272 WeakPolarHBondContact OG1-CG 3.42Å; D261-L272 CarbonylContact O-C 3.54Å; D261-L272 WeakPolarHBondContact O-CA 3.38Å; L272-I338 WeakPolarHBondContact O-CG2 3.43Å; L272-P339 HydrophobicContact CB-CG 3.9Å; L272-P339 HydrophobicContact CD1-CG 4.37Å; L272-P339 HydrophobicContact CD2-CG 3.87Å; L272-P339 HydrophobicContact CG-CG 4.24Å; L272-P339 PolarHBondContact N-O 2.94Å; L272-V344 HydrophobicContact CD1-CB 4.03Å; L272-V344 HydrophobicContact CD1-CG1 4.41Å; L272-V344 HydrophobicContact CD1-CG2 3.52Å; L272-V344 HydrophobicContact CD2-CB 4.46Å; L272-V344 HydrophobicContact CD2-CG1 4.32Å; L272-V344 HydrophobicContact CD2-CG2 3.58Å; L272-V344 HydrophobicContact CG-CG2 4.17Å
273	M	97.1	Very high	96.5	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.039	15%	0.152	C	C	.	.			trans	-167.5	130.2	173.1	-178	61.5	56.5	0	0	111	D261 M263 F271 D275 L278 T281 T282 I338	D261-M273 VanDerWaalsContact CB-O 3.31Å; D261-M273 WeakPolarHBondContact CB-O 3.37Å; D261-M273 PolarHBondContact O-N 3.18Å; M263-M273 WeakPolarHBondContact CE-O 3.33Å; M263-M273 HydrophobicContact CG-CB 3.92Å; M263-M273 VanDerWaalsContact CG-O 3.31Å; M263-M273 WeakPolarHBondContact CG-O 3.27Å; F271-M273 HydrophobicContact CD2-CB 4Å; F271-M273 HydrophobicContact CE2-CB 3.57Å; F271-M273 HydrophobicContact CE2-CG 4.34Å; M273-D275 VanDerWaalsContact CG-O 3.28Å; M273-D275 WeakPolarHBondContact CG-O 3.47Å; M273-L278 HydrophobicContact CE-CD2 3.71Å; M273-L278 HydrophobicContact CG-CD2 4.33Å; M273-L278 HydrophobicContact SD-CD2 4.33Å; M273-T281 PolarHBondContact SD-OG1 3.32Å; M273-T281 VanDerWaalsContact SD-OG1 3.32Å; M273-T282 HydrophobicContact CE-CG2 4.06Å; M273-I338 HydrophobicContact CE-CD1 3.95Å; M273-I338 HydrophobicContact CE-CG1 4.18Å
274	H	95.5	Very high	96.5	Very high	25 Å²	25	26.3 Å²	26.3	12%	0.116	15%	0.151	C	C	.	.	S	Bend	trans	-78.5	-44	178.7	174.9	-97.3	0	0	0	113	R233 D261	R233-H274 PolarHBondContact NE-CD2 2.75Å; R233-H274 PolarHBondContact NH2-CD2 3.35Å; R233-H274 PolarHBondContact NH2-CE1 3.26Å; R233-H274 PolarHBondContact NH2-NE2 2.96Å; D261-H274 HydrophobicContact CB-CB 4.25Å; D261-H274 IonicContact OD1-CD2 2.87Å; D261-H274 PolarHBondContact OD1-CD2 3.36Å; D261-H274 VanDerWaalsContact OD1-CD2 3.3Å; D261-H274 VanDerWaalsContact OD2-CB 3.31Å; D261-H274 WeakPolarHBondContact OD2-CB 3.34Å; D261-H274 IonicContact OD2-CD2 3.54Å; D261-H274 PolarHBondContact OD2-CD2 3.43Å; D261-H274 IonicContact OD2-CG 2.75Å
275	D	93.4	Very high	96.4	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.053	18%	0.177	C	C	.	.	S	Bend	trans	-90.1	147.3	-172.2	-68.1	-32.1	0	0	0	112	K77 M273 K277 R280	K77-D275 WeakPolarHBondContact CE-OD1 3.25Å; K77-D275 IonicContact NZ-OD1 3.29Å; K77-D275 PolarHBondContact NZ-OD1 3.42Å; M273-D275 VanDerWaalsContact CG-O 3.28Å; M273-D275 WeakPolarHBondContact CG-O 3.47Å; D275-K277 WeakPolarHBondContact CB-O 3.4Å; D275-K277 PolarHBondContact O-N 2.89Å; D275-R280 IonicContact OD1-NE 3.22Å; D275-R280 IonicContact OD1-NH2 3.79Å; D275-R280 WeakPolarHBondContact OD2-CB 3.48Å; D275-R280 IonicContact OD2-CZ 3.76Å; D275-R280 VanDerWaalsContact OD2-CZ 3.24Å; D275-R280 IonicContact OD2-NE 3.98Å; D275-R280 PolarHBondContact OD2-NE 3.36Å; D275-R280 IonicContact OD2-NH2 2.79Å; D275-R280 PolarHBondContact OD2-NH2 3.4Å
276	E	92.9	Very high	96.4	Very high	108 Å²	108	35.7 Å²	35.7	51%	0.505	21%	0.209	S	C	.	.	S	Bend	trans	-59.7	-26.8	168.6	-66.2	179.2	-173.5	0	0	112.5	N295 S296	E276-N295 CarbonylContact O-C 3.54Å; E276-N295 WeakPolarHBondContact O-CA 3.48Å; E276-S296 PolarHBondContact O-N 3.44Å; E276-S296 PolarHBondContact O-OG 3.08Å
277	K	94	Very high	96.4	Very high	89 Å²	89	35.2 Å²	35.2	39%	0.387	20%	0.2	S	C	.	.	S	Bend	trans	-115.7	140.6	-180	-61.8	-170	-176.5	-158	0	111.4	D275 T279 S293	D275-K277 WeakPolarHBondContact CB-O 3.4Å; D275-K277 PolarHBondContact O-N 2.89Å; K277-T279 VanDerWaalsContact C-N 3.25Å; K277-T279 PolarHBondContact O-N 3.47Å; K277-S293 VanDerWaalsContact CE-O 3.24Å; K277-S293 WeakPolarHBondContact CE-O 3.5Å; K277-S293 PolarHBondContact NZ-O 3.11Å
278	L	96.4	Very high	96.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.7	-177	-60.2	169.1	0	0	0	113.8	M273 R280 T281 T282 V284 F299 L304 L307 I338	M273-L278 HydrophobicContact CE-CD2 3.71Å; M273-L278 HydrophobicContact CG-CD2 4.33Å; M273-L278 HydrophobicContact SD-CD2 4.33Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 3.01Å; L278-T281 PolarHBondContact O-N 3.24Å; L278-T282 HydrophobicContact CB-CG2 4.3Å; L278-T282 HydrophobicContact CD2-CG2 4.44Å; L278-T282 WeakPolarHBondContact O-CB 3.24Å; L278-T282 PolarHBondContact O-N 2.84Å; L278-T282 VanDerWaalsContact O-N 3.11Å; L278-T282 PolarHBondContact O-OG1 2.97Å; L278-V284 HydrophobicContact CB-CB 3.91Å; L278-V284 HydrophobicContact CB-CG1 3.81Å; L278-V284 HydrophobicContact CB-CG2 4.21Å; L278-V284 HydrophobicContact CD1-CG2 4.13Å; L278-F299 HydrophobicContact CD1-CD1 4.45Å; L278-F299 HydrophobicContact CD1-CD2 3.72Å; L278-F299 HydrophobicContact CD1-CE1 4.46Å; L278-F299 HydrophobicContact CD1-CE2 3.74Å; L278-F299 HydrophobicContact CD1-CG 4.09Å; L278-F299 HydrophobicContact CD1-CZ 4.11Å; L278-L304 HydrophobicContact CD1-CD2 3.66Å; L278-L304 HydrophobicContact CD2-CD2 4Å; L278-L304 HydrophobicContact CG-CD2 4.48Å; L278-L307 HydrophobicContact CD1-CD1 3.72Å; L278-I338 HydrophobicContact CD2-CD1 4.12Å
279	T	94.9	Very high	96.5	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.086	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.3	-170.3	59.9	0	0	0	0	115.9	K277 V284 Q285 A292 R316	K277-T279 VanDerWaalsContact C-N 3.25Å; K277-T279 PolarHBondContact O-N 3.47Å; T279-V284 HydrophobicContact CG2-CG1 3.9Å; T279-Q285 HydrophobicContact CG2-CG 4.16Å; T279-A292 WeakPolarHBondContact CG2-O 3.34Å; T279-R316 PolarHBondContact O-NH2 2.88Å
280	R	94.6	Very high	96.4	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-41	-178.6	-173.8	176	56.7	82.6	18.9	111.1	E73 Y76 E241 D275 L278 R316	E73-R280 IonicContact OE1-CZ 3.37Å; E73-R280 VanDerWaalsContact OE1-CZ 3.25Å; E73-R280 IonicContact OE1-NE 2.67Å; E73-R280 IonicContact OE1-NH1 3.77Å; E73-R280 PolarHBondContact OE1-NH1 3.03Å; E73-R280 IonicContact OE1-NH2 3.52Å; Y76-R280 HydrophobicContact CD1-CG 4.09Å; Y76-R280 HydrophobicContact CE1-CB 4.14Å; Y76-R280 HydrophobicContact CE1-CG 3.95Å; E241-R280 VanDerWaalsContact CD-NH1 3.3Å; E241-R280 IonicContact OE1-CZ 2.65Å; E241-R280 IonicContact OE1-NH1 2.81Å; E241-R280 PolarHBondContact OE1-NH1 2.95Å; E241-R280 VanDerWaalsContact OE1-NH1 3.15Å; E241-R280 IonicContact OE1-NH2 3.85Å; E241-R280 PolarHBondContact OE1-NH2 2.87Å; E241-R280 IonicContact OE2-CZ 3.72Å; E241-R280 IonicContact OE2-NH1 3.82Å; E241-R280 PolarHBondContact OE2-NH1 2.92Å; E241-R280 IonicContact OE2-NH2 3.07Å; D275-R280 IonicContact OD1-NE 3.22Å; D275-R280 IonicContact OD1-NH2 3.79Å; D275-R280 WeakPolarHBondContact OD2-CB 3.48Å; D275-R280 IonicContact OD2-CZ 3.76Å; D275-R280 VanDerWaalsContact OD2-CZ 3.24Å; D275-R280 IonicContact OD2-NE 3.98Å; D275-R280 PolarHBondContact OD2-NE 3.36Å; D275-R280 IonicContact OD2-NH2 2.79Å; D275-R280 PolarHBondContact OD2-NH2 3.4Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 3.01Å; R280-R316 PolarHBondContact O-NH1 3.22Å; R280-R316 PolarHBondContact O-NH2 3.22Å
281	T	96.5	Very high	96.3	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.037	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	12.5	-167.1	51.8	0	0	0	0	113	E241 M273 L278 A309 W312	E241-T281 HydrophobicContact CG-CG2 4.23Å; M273-T281 PolarHBondContact SD-OG1 3.32Å; M273-T281 VanDerWaalsContact SD-OG1 3.32Å; L278-T281 PolarHBondContact O-N 3.24Å; T281-A309 CarbonylContact O-C 3.57Å; T281-A309 VanDerWaalsContact O-CA 3.3Å; T281-A309 WeakPolarHBondContact O-CA 3.31Å; T281-W312 HydrophobicContact CG2-CD2 4.4Å; T281-W312 HydrophobicContact CG2-CH2 4.13Å; T281-W312 HydrophobicContact CG2-CZ2 3.69Å; T281-W312 PolarHBondContact O-NE1 3.05Å
282	T	97.8	Very high	96	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.067	24%	0.244	C	C	.	.	S	Bend	trans	-144.1	171.3	179.5	78.6	0	0	0	0	113.6	M273 L278 V284 L307 D308 I338	M273-T282 HydrophobicContact CE-CG2 4.06Å; L278-T282 HydrophobicContact CB-CG2 4.3Å; L278-T282 HydrophobicContact CD2-CG2 4.44Å; L278-T282 WeakPolarHBondContact O-CB 3.24Å; L278-T282 PolarHBondContact O-N 2.84Å; L278-T282 VanDerWaalsContact O-N 3.11Å; L278-T282 PolarHBondContact O-OG1 2.97Å; T282-V284 VanDerWaalsContact C-N 3.33Å; T282-V284 WeakPolarHBondContact OG1-CB 3.48Å; T282-V284 PolarHBondContact OG1-N 3.47Å; T282-L307 HydrophobicContact CG2-CD1 4.41Å; T282-D308 WeakPolarHBondContact CA-O 3.46Å; T282-D308 VanDerWaalsContact CB-O 3.3Å; T282-D308 WeakPolarHBondContact CB-O 3.46Å; T282-I338 HydrophobicContact CG2-CD1 4Å; T282-I338 HydrophobicContact CG2-CG1 4.32Å
283	N	97.1	Very high	95.8	Very high	56 Å²	56	50.1 Å²	50.1	30%	0.299	27%	0.269	S	S	.	.			trans	-89.4	23.3	171.3	72.5	-19.4	0	0	0	114.4	Q285 A286 V287 L307 D308	N283-Q285 PolarHBondContact O-N 3.37Å; N283-A286 PolarHBondContact O-N 3.21Å; N283-V287 WeakPolarHBondContact ND2-CG2 3.39Å; N283-V287 PolarHBondContact O-N 3.36Å; N283-L307 WeakPolarHBondContact OD1-CA 3.35Å; N283-D308 HydrophobicContact CB-CB 4.32Å; N283-D308 PolarHBondContact N-O 2.99Å; N283-D308 PolarHBondContact OD1-N 3.36Å
284	V	97.6	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-50.9	-32.7	-177.4	70	0	0	0	0	114	L278 T279 T282 A286 V287 F288 A292 F299 L307	L278-V284 HydrophobicContact CB-CB 3.91Å; L278-V284 HydrophobicContact CB-CG1 3.81Å; L278-V284 HydrophobicContact CB-CG2 4.21Å; L278-V284 HydrophobicContact CD1-CG2 4.13Å; T279-V284 HydrophobicContact CG2-CG1 3.9Å; T282-V284 VanDerWaalsContact C-N 3.33Å; T282-V284 WeakPolarHBondContact OG1-CB 3.48Å; T282-V284 PolarHBondContact OG1-N 3.47Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 PolarHBondContact O-N 3.38Å; V284-V287 PolarHBondContact O-N 3.4Å; V284-F288 HydrophobicContact CG2-CB 4.31Å; V284-F288 HydrophobicContact CG2-CD2 4.45Å; V284-F288 CarbonylContact O-C 3.54Å; V284-F288 VanDerWaalsContact O-C 3.27Å; V284-F288 WeakPolarHBondContact O-CA 3.33Å; V284-F288 PolarHBondContact O-N 3.04Å; V284-A292 HydrophobicContact CG1-CB 4.11Å; V284-A292 HydrophobicContact CG2-CB 4.4Å; V284-F299 HydrophobicContact CG2-CE1 4.18Å; V284-F299 HydrophobicContact CG2-CZ 3.9Å; V284-L307 HydrophobicContact CB-CD1 4.16Å; V284-L307 HydrophobicContact CB-CD2 4.22Å; V284-L307 HydrophobicContact CG2-CD1 4.31Å; V284-L307 HydrophobicContact CG2-CD2 4.44Å
285	Q	95.8	Very high	95.7	Very high	119 Å²	119	55 Å²	55	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-66.5	-28.2	179.4	-71.4	-178.9	-24.8	0	0	113.1	T279 N283 P289 A292	T279-Q285 HydrophobicContact CG2-CG 4.16Å; N283-Q285 PolarHBondContact O-N 3.37Å; Q285-P289 WeakPolarHBondContact O-CA 3.5Å; Q285-P289 WeakPolarHBondContact O-CB 3.33Å; Q285-A292 HydrophobicContact CB-CB 4.45Å; Q285-A292 HydrophobicContact CG-CB 3.8Å
286	A	96.9	Very high	95.7	Very high	83 Å²	83	54.5 Å²	54.5	69%	0.686	29%	0.293	S	S	*	.	H	α-helix	trans	-85.5	-39	176.7	0	0	0	0	0	111.7	N283 V284	N283-A286 PolarHBondContact O-N 3.21Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 PolarHBondContact O-N 3.38Å
287	V	97.7	Very high	95.8	Very high	51 Å²	51	50.2 Å²	50.2	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-83.2	-40.6	-175.1	-175.8	0	0	0	0	112	N283 V284 Q306 L307	N283-V287 WeakPolarHBondContact ND2-CG2 3.39Å; N283-V287 PolarHBondContact O-N 3.36Å; V284-V287 PolarHBondContact O-N 3.4Å; V287-Q306 HydrophobicContact CG1-CB 4.46Å; V287-L307 HydrophobicContact CB-CD2 3.82Å; V287-L307 HydrophobicContact CG1-CD2 4.15Å; V287-L307 HydrophobicContact CG2-CD2 4.01Å
288	F	97.8	Very high	95.9	Very high	30 Å²	30	48.3 Å²	48.3	13%	0.132	28%	0.275	C	S	.	.			trans	-134.8	66	-177.3	-57.1	-61.2	0	0	0	111.6	V284 E290 R291 A292 F299 D303 L307	V284-F288 HydrophobicContact CG2-CB 4.31Å; V284-F288 HydrophobicContact CG2-CD2 4.45Å; V284-F288 CarbonylContact O-C 3.54Å; V284-F288 VanDerWaalsContact O-C 3.27Å; V284-F288 WeakPolarHBondContact O-CA 3.33Å; V284-F288 PolarHBondContact O-N 3.04Å; F288-E290 VanDerWaalsContact C-N 3.32Å; F288-E290 PolarHBondContact O-N 3.19Å; F288-R291 HydrophobicContact CB-CB 4.21Å; F288-R291 CarbonylContact O-C 3.41Å; F288-R291 PolarHBondContact O-N 3.29Å; F288-A292 PolarHBondContact O-N 3.32Å; F288-F299 HydrophobicContact CB-CE1 4.17Å; F288-F299 HydrophobicContact CD2-CD1 4.34Å; F288-F299 AromaticContact CD2-CE1 3.84Å; F288-F299 HydrophobicContact CD2-CE1 3.84Å; F288-F299 HydrophobicContact CG-CE1 4.19Å; F288-D303 HydrophobicContact CE2-CB 3.86Å; F288-D303 HydrophobicContact CZ-CB 3.86Å; F288-L307 HydrophobicContact CD2-CD2 3.98Å; F288-L307 HydrophobicContact CE2-CD2 4.03Å
289	P	96.3	Very high	96	Very high	89 Å²	89	48.3 Å²	48.3	58%	0.578	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55.7	-42.1	-172.5	20.3	-32.7	0	0	0	113.7	Q285 R291 A292	Q285-P289 WeakPolarHBondContact O-CA 3.5Å; Q285-P289 WeakPolarHBondContact O-CB 3.33Å; P289-R291 VanDerWaalsContact C-N 3.29Å; P289-R291 PolarHBondContact O-N 2.92Å; P289-A292 PolarHBondContact O-N 2.93Å
290	E	96.8	Very high	96.1	Very high	187 Å²	187	51.1 Å²	51.1	87%	0.874	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-70.7	-25	-178.6	-61.1	-175.5	172.5	0	0	113.3	F288	F288-E290 VanDerWaalsContact C-N 3.32Å; F288-E290 PolarHBondContact O-N 3.19Å
291	R	96	Very high	96.3	Very high	77 Å²	77	52.6 Å²	52.6	29%	0.291	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.2	-5.1	-179.3	-62.3	-168.7	-66.4	166.1	-2.2	113.1	F288 P289 S293 L294 F299 D303	F288-R291 HydrophobicContact CB-CB 4.21Å; F288-R291 CarbonylContact O-C 3.41Å; F288-R291 PolarHBondContact O-N 3.29Å; P289-R291 VanDerWaalsContact C-N 3.29Å; P289-R291 PolarHBondContact O-N 2.92Å; R291-S293 PolarHBondContact O-N 2.04Å; R291-L294 HydrophobicContact CB-CD1 3.81Å; R291-L294 HydrophobicContact CB-CG 4.31Å; R291-L294 HydrophobicContact CG-CD1 3.92Å; R291-L294 VanDerWaalsContact O-CB 3.24Å; R291-L294 WeakPolarHBondContact O-CB 3.39Å; R291-L294 WeakPolarHBondContact O-CG 3.42Å; R291-L294 PolarHBondContact O-N 3.05Å; R291-F299 HydrophobicContact CB-CE1 3.92Å; R291-F299 HydrophobicContact CB-CZ 3.64Å; R291-F299 WeakPolarHBondContact O-CZ 3.3Å; R291-D303 IonicContact CZ-OD2 3.6Å; R291-D303 VanDerWaalsContact CZ-OD2 3.24Å; R291-D303 IonicContact NH1-OD2 2.8Å; R291-D303 PolarHBondContact NH1-OD2 3.26Å; R291-D303 VanDerWaalsContact NH2-CG 3.26Å; R291-D303 IonicContact NH2-OD1 3.9Å; R291-D303 IonicContact NH2-OD2 3.24Å; R291-D303 PolarHBondContact NH2-OD2 3.13Å
292	A	93.6	Very high	96.4	Very high	9 Å²	9	56.6 Å²	56.6	7%	0.074	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.2	-172.7	0	0	0	0	0	114.5	T279 V284 Q285 F288 P289	T279-A292 WeakPolarHBondContact CG2-O 3.34Å; V284-A292 HydrophobicContact CG1-CB 4.11Å; V284-A292 HydrophobicContact CG2-CB 4.4Å; Q285-A292 HydrophobicContact CB-CB 4.45Å; Q285-A292 HydrophobicContact CG-CB 3.8Å; F288-A292 PolarHBondContact O-N 3.32Å; P289-A292 PolarHBondContact O-N 2.93Å
293	S	93.1	Very high	96.4	Very high	76 Å²	76	57.4 Å²	57.4	53%	0.531	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.9	177	64.1	0	0	0	0	113.9	K277 R291	K277-S293 VanDerWaalsContact CE-O 3.24Å; K277-S293 WeakPolarHBondContact CE-O 3.5Å; K277-S293 PolarHBondContact NZ-O 3.11Å; R291-S293 PolarHBondContact O-N 2.04Å
294	L	95.3	Very high	96.5	Very high	74 Å²	74	54.8 Å²	54.8	39%	0.387	31%	0.309	S	S	.	.	S	Bend	trans	-71	161.5	-179.9	-58.4	-177.6	0	0	0	111.5	R291 A298 F299	R291-L294 HydrophobicContact CB-CD1 3.81Å; R291-L294 HydrophobicContact CB-CG 4.31Å; R291-L294 HydrophobicContact CG-CD1 3.92Å; R291-L294 VanDerWaalsContact O-CB 3.24Å; R291-L294 WeakPolarHBondContact O-CB 3.39Å; R291-L294 WeakPolarHBondContact O-CG 3.42Å; R291-L294 PolarHBondContact O-N 3.05Å; L294-A298 HydrophobicContact CB-CB 4.29Å; L294-A298 HydrophobicContact CD1-CB 4.47Å; L294-F299 HydrophobicContact CB-CE2 4.09Å
295	N	94.6	Very high	96.5	Very high	60 Å²	60	59 Å²	59	32%	0.321	33%	0.329	S	S	.	.			trans	-69.8	149.1	172.4	-73.1	-7.4	0	0	0	110.7	E276 T297 A298 F299	E276-N295 CarbonylContact O-C 3.54Å; E276-N295 WeakPolarHBondContact O-CA 3.48Å; N295-T297 PolarHBondContact O-N 3.24Å; N295-A298 VanDerWaalsContact O-CB 3.3Å; N295-A298 WeakPolarHBondContact O-CB 3.41Å; N295-A298 PolarHBondContact O-N 3.34Å; N295-F299 WeakPolarHBondContact O-CD2 3.49Å
296	S	95.1	Very high	96.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32.4	178.1	57.4	0	0	0	0	111.8	E276 A298 F299	E276-S296 PolarHBondContact O-N 3.44Å; E276-S296 PolarHBondContact O-OG 3.08Å; S296-A298 PolarHBondContact O-N 3.39Å; S296-F299 PolarHBondContact O-N 2.9Å
297	T	95.1	Very high	96.7	Very high	17 Å²	17	54 Å²	54	10%	0.104	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.8	-13.1	175.7	65	0	0	0	0	114	M263 V264 A266 N295 F299 F370	M263-T297 HydrophobicContact SD-CG2 4.44Å; V264-T297 WeakPolarHBondContact O-CA 3.29Å; V264-T297 WeakPolarHBondContact O-CB 3.25Å; V264-T297 WeakPolarHBondContact O-CG2 3.23Å; A266-T297 WeakPolarHBondContact CA-O 3.37Å; A266-T297 WeakPolarHBondContact CB-O 3.36Å; A266-T297 PolarHBondContact N-O 2.73Å; A266-T297 VanDerWaalsContact N-O 3.12Å; N295-T297 PolarHBondContact O-N 3.24Å; T297-F299 VanDerWaalsContact C-N 3.34Å; T297-F370 HydrophobicContact CG2-CE2 4.29Å; T297-F370 HydrophobicContact CG2-CZ 4.24Å
298	A	95.7	Very high	96.7	Very high	50 Å²	50	52.6 Å²	52.6	41%	0.413	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-85.9	-5.6	176.5	0	0	0	0	0	113.5	L294 N295 S296	L294-A298 HydrophobicContact CB-CB 4.29Å; L294-A298 HydrophobicContact CD1-CB 4.47Å; N295-A298 VanDerWaalsContact O-CB 3.3Å; N295-A298 WeakPolarHBondContact O-CB 3.41Å; N295-A298 PolarHBondContact O-N 3.34Å; S296-A298 PolarHBondContact O-N 3.39Å
299	F	97.7	Very high	96.7	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.279	C	S	.	.	S	Bend	trans	-96	142.3	178.2	-69.8	-101.6	0	0	0	110.2	S265 A266 L278 V284 F288 R291 L294 N295 S296 T297 D303 L304	S265-F299 VanDerWaalsContact CB-O 3.29Å; S265-F299 WeakPolarHBondContact CB-O 3.16Å; A266-F299 PolarHBondContact N-O 3.25Å; L278-F299 HydrophobicContact CD1-CD1 4.45Å; L278-F299 HydrophobicContact CD1-CD2 3.72Å; L278-F299 HydrophobicContact CD1-CE1 4.46Å; L278-F299 HydrophobicContact CD1-CE2 3.74Å; L278-F299 HydrophobicContact CD1-CG 4.09Å; L278-F299 HydrophobicContact CD1-CZ 4.11Å; V284-F299 HydrophobicContact CG2-CE1 4.18Å; V284-F299 HydrophobicContact CG2-CZ 3.9Å; F288-F299 HydrophobicContact CB-CE1 4.17Å; F288-F299 HydrophobicContact CD2-CD1 4.34Å; F288-F299 AromaticContact CD2-CE1 3.84Å; F288-F299 HydrophobicContact CD2-CE1 3.84Å; F288-F299 HydrophobicContact CG-CE1 4.19Å; R291-F299 HydrophobicContact CB-CE1 3.92Å; R291-F299 HydrophobicContact CB-CZ 3.64Å; R291-F299 WeakPolarHBondContact O-CZ 3.3Å; L294-F299 HydrophobicContact CB-CE2 4.09Å; N295-F299 WeakPolarHBondContact O-CD2 3.49Å; S296-F299 PolarHBondContact O-N 2.9Å; T297-F299 VanDerWaalsContact C-N 3.34Å; F299-D303 HydrophobicContact CB-CB 4.47Å; F299-D303 HydrophobicContact CD1-CB 4.09Å; F299-L304 HydrophobicContact CB-CD1 4.41Å; F299-L304 HydrophobicContact CB-CD2 3.82Å; F299-L304 HydrophobicContact CB-CG 3.85Å; F299-L304 HydrophobicContact CG-CD2 4.35Å
300	N	98	Very high	96.8	Very high	74 Å²	74	47.2 Å²	47.2	40%	0.396	25%	0.251	S	S	.	.			trans	-74.4	158	168.1	-70.3	-9.4	0	0	0	110.2	A266 D267 T302 D303 L304	A266-N300 WeakPolarHBondContact CB-OD1 3.4Å; D267-N300 WeakPolarHBondContact OD1-CA 3.35Å; N300-T302 VanDerWaalsContact C-N 3.28Å; N300-T302 PolarHBondContact O-N 3.1Å; N300-D303 WeakPolarHBondContact O-CB 3.39Å; N300-D303 PolarHBondContact O-N 3.33Å; N300-L304 PolarHBondContact O-N 3.27Å; N300-L304 VanDerWaalsContact O-N 3.12Å
301	W	98.3	Very high	96.8	Very high	33 Å²	33	39.8 Å²	39.8	13%	0.125	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-40.8	-179.5	-179.6	-124	0	0	0	112.9	D267 V269 F271 D303 L304 Q305	D267-W301 PolarHBondContact OD1-N 2.95Å; D267-W301 PolarHBondContact OD2-N 3.11Å; D267-W301 VanDerWaalsContact OD2-N 3.09Å; V269-W301 HydrophobicContact CB-CB 3.93Å; V269-W301 HydrophobicContact CB-CD2 4.28Å; V269-W301 HydrophobicContact CB-CG 4Å; V269-W301 HydrophobicContact CG1-CB 4.36Å; V269-W301 HydrophobicContact CG1-CD2 3.79Å; V269-W301 HydrophobicContact CG1-CE3 4.13Å; V269-W301 HydrophobicContact CG1-CG 3.87Å; V269-W301 HydrophobicContact CG2-CB 3.75Å; V269-W301 HydrophobicContact CG2-CG 3.99Å; F271-W301 HydrophobicContact CB-CE3 4.18Å; F271-W301 HydrophobicContact CB-CH2 4.31Å; F271-W301 HydrophobicContact CB-CZ3 3.52Å; F271-W301 HydrophobicContact CG-CZ3 4.23Å; W301-D303 PolarHBondContact O-N 2.89Å; W301-L304 HydrophobicContact CE3-CB 4.11Å; W301-L304 HydrophobicContact CE3-CD1 4.15Å; W301-L304 HydrophobicContact CZ3-CB 4.33Å; W301-L304 PolarHBondContact O-N 3.4Å; W301-L304 VanDerWaalsContact O-N 3.12Å; W301-Q305 HydrophobicContact CD2-CG 3.99Å; W301-Q305 HydrophobicContact CE3-CG 4.48Å; W301-Q305 HydrophobicContact CG-CG 4.48Å; W301-Q305 HydrophobicContact CH2-CG 4.12Å; W301-Q305 HydrophobicContact CZ2-CG 3.62Å; W301-Q305 VanDerWaalsContact NE1-CD 3.27Å; W301-Q305 VanDerWaalsContact NE1-NE2 3.14Å; W301-Q305 WeakPolarHBondContact O-CG 3.4Å; W301-Q305 PolarHBondContact O-N 3.3Å
302	T	98.1	Very high	96.8	Very high	90 Å²	90	36.5 Å²	36.5	55%	0.552	21%	0.207	S	C	*	.	H	α-helix	trans	-61.8	-31.3	178.5	-54	0	0	0	0	112.4	N300 Q306	N300-T302 VanDerWaalsContact C-N 3.28Å; N300-T302 PolarHBondContact O-N 3.1Å; T302-Q306 WeakPolarHBondContact O-CG 3.12Å; T302-Q306 PolarHBondContact O-NE2 3.12Å
303	D	98.2	Very high	96.9	Very high	29 Å²	29	36.1 Å²	36.1	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-74.6	-43.9	174.4	-72.6	-24	0	0	0	111.1	F288 R291 F299 N300 W301 Q305 Q306	F288-D303 HydrophobicContact CE2-CB 3.86Å; F288-D303 HydrophobicContact CZ-CB 3.86Å; R291-D303 IonicContact CZ-OD2 3.6Å; R291-D303 VanDerWaalsContact CZ-OD2 3.24Å; R291-D303 IonicContact NH1-OD2 2.8Å; R291-D303 PolarHBondContact NH1-OD2 3.26Å; R291-D303 VanDerWaalsContact NH2-CG 3.26Å; R291-D303 IonicContact NH2-OD1 3.9Å; R291-D303 IonicContact NH2-OD2 3.24Å; R291-D303 PolarHBondContact NH2-OD2 3.13Å; F299-D303 HydrophobicContact CB-CB 4.47Å; F299-D303 HydrophobicContact CD1-CB 4.09Å; N300-D303 WeakPolarHBondContact O-CB 3.39Å; N300-D303 PolarHBondContact O-N 3.33Å; W301-D303 PolarHBondContact O-N 2.89Å; D303-Q305 VanDerWaalsContact C-N 3.29Å; D303-Q305 PolarHBondContact O-N 2.84Å; D303-Q306 WeakPolarHBondContact O-CB 3.47Å; D303-Q306 PolarHBondContact O-N 3.02Å; D303-Q306 VanDerWaalsContact O-N 3.12Å
304	L	98.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-38.8	179.1	-68.2	169.6	0	0	0	112	F271 L278 F299 N300 W301 Q306 L307 I338	F271-L304 HydrophobicContact CD1-CD1 3.74Å; F271-L304 HydrophobicContact CD2-CD1 4.32Å; F271-L304 HydrophobicContact CE1-CD1 3.5Å; F271-L304 VanDerWaalsContact CE1-CD1 3.5Å; F271-L304 HydrophobicContact CE2-CD1 4.09Å; F271-L304 HydrophobicContact CE2-CD2 4.45Å; F271-L304 HydrophobicContact CG-CD1 4.15Å; F271-L304 HydrophobicContact CZ-CD1 3.67Å; F271-L304 HydrophobicContact CZ-CD2 4.4Å; L278-L304 HydrophobicContact CD1-CD2 3.66Å; L278-L304 HydrophobicContact CD2-CD2 4Å; L278-L304 HydrophobicContact CG-CD2 4.48Å; F299-L304 HydrophobicContact CB-CD1 4.41Å; F299-L304 HydrophobicContact CB-CD2 3.82Å; F299-L304 HydrophobicContact CB-CG 3.85Å; F299-L304 HydrophobicContact CG-CD2 4.35Å; N300-L304 PolarHBondContact O-N 3.27Å; N300-L304 VanDerWaalsContact O-N 3.12Å; W301-L304 HydrophobicContact CE3-CB 4.11Å; W301-L304 HydrophobicContact CE3-CD1 4.15Å; W301-L304 HydrophobicContact CZ3-CB 4.33Å; W301-L304 PolarHBondContact O-N 3.4Å; W301-L304 VanDerWaalsContact O-N 3.12Å; L304-Q306 PolarHBondContact O-N 3.41Å; L304-L307 HydrophobicContact CD2-CD1 4.43Å; L304-L307 WeakPolarHBondContact O-CB 3.33Å; L304-L307 PolarHBondContact O-N 3.41Å; L304-L307 VanDerWaalsContact O-N 3.15Å; L304-I338 HydrophobicContact CB-CD1 4.33Å; L304-I338 HydrophobicContact CD2-CD1 4.03Å
305	Q	97.9	Very high	97	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.7	177.8	-71.8	-173.3	-47.1	0	0	113.9	W301 D303 L307 K337	W301-Q305 HydrophobicContact CD2-CG 3.99Å; W301-Q305 HydrophobicContact CE3-CG 4.48Å; W301-Q305 HydrophobicContact CG-CG 4.48Å; W301-Q305 HydrophobicContact CH2-CG 4.12Å; W301-Q305 HydrophobicContact CZ2-CG 3.62Å; W301-Q305 VanDerWaalsContact NE1-CD 3.27Å; W301-Q305 VanDerWaalsContact NE1-NE2 3.14Å; W301-Q305 WeakPolarHBondContact O-CG 3.4Å; W301-Q305 PolarHBondContact O-N 3.3Å; D303-Q305 VanDerWaalsContact C-N 3.29Å; D303-Q305 PolarHBondContact O-N 2.84Å; Q305-L307 VanDerWaalsContact C-N 3.25Å; Q305-L307 PolarHBondContact O-N 3.44Å; Q305-K337 PolarHBondContact O-NZ 3.01Å
306	Q	98	Very high	96.8	Very high	96 Å²	96	37.1 Å²	37.1	45%	0.449	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24	177.2	-67.6	171.3	60.1	0	0	112	V287 T302 D303 L304 K337	V287-Q306 HydrophobicContact CG1-CB 4.46Å; T302-Q306 WeakPolarHBondContact O-CG 3.12Å; T302-Q306 PolarHBondContact O-NE2 3.12Å; D303-Q306 WeakPolarHBondContact O-CB 3.47Å; D303-Q306 PolarHBondContact O-N 3.02Å; D303-Q306 VanDerWaalsContact O-N 3.12Å; L304-Q306 PolarHBondContact O-N 3.41Å; Q306-K337 PolarHBondContact O-NZ 3.06Å
307	L	98.4	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-72.9	140.5	-174.2	-57.2	-178.1	0	0	0	112.3	L278 T282 N283 V284 V287 F288 L304 Q305 K337 I338	L278-L307 HydrophobicContact CD1-CD1 3.72Å; T282-L307 HydrophobicContact CG2-CD1 4.41Å; N283-L307 WeakPolarHBondContact OD1-CA 3.35Å; V284-L307 HydrophobicContact CB-CD1 4.16Å; V284-L307 HydrophobicContact CB-CD2 4.22Å; V284-L307 HydrophobicContact CG2-CD1 4.31Å; V284-L307 HydrophobicContact CG2-CD2 4.44Å; V287-L307 HydrophobicContact CB-CD2 3.82Å; V287-L307 HydrophobicContact CG1-CD2 4.15Å; V287-L307 HydrophobicContact CG2-CD2 4.01Å; F288-L307 HydrophobicContact CD2-CD2 3.98Å; F288-L307 HydrophobicContact CE2-CD2 4.03Å; L304-L307 HydrophobicContact CD2-CD1 4.43Å; L304-L307 WeakPolarHBondContact O-CB 3.33Å; L304-L307 PolarHBondContact O-N 3.41Å; L304-L307 VanDerWaalsContact O-N 3.15Å; Q305-L307 VanDerWaalsContact C-N 3.25Å; Q305-L307 PolarHBondContact O-N 3.44Å; L307-K337 WeakPolarHBondContact O-CD 3.23Å; L307-K337 PolarHBondContact O-NZ 3.46Å; L307-I338 HydrophobicContact CB-CD1 4.31Å; L307-I338 HydrophobicContact CD1-CD1 4.08Å
308	D	98.3	Very high	96.4	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.123	22%	0.219	C	C	.	.			trans	-77.7	130.7	161.7	172.1	-73.6	0	0	0	108.1	T282 N283 G310 S311	T282-D308 WeakPolarHBondContact CA-O 3.46Å; T282-D308 VanDerWaalsContact CB-O 3.3Å; T282-D308 WeakPolarHBondContact CB-O 3.46Å; N283-D308 HydrophobicContact CB-CB 4.32Å; N283-D308 PolarHBondContact N-O 2.99Å; N283-D308 PolarHBondContact OD1-N 3.36Å; D308-G310 PolarHBondContact OD1-N 3.36Å; D308-S311 VanDerWaalsContact OD1-CB 3.25Å; D308-S311 WeakPolarHBondContact OD1-CB 3.28Å; D308-S311 PolarHBondContact OD1-N 2.85Å; D308-S311 PolarHBondContact OD1-OG 3.38Å; D308-S311 PolarHBondContact OD2-OG 2.88Å
309	A	98.2	Very high	96.1	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	20%	0.201	C	C	.	.	S	Bend	trans	-116.2	18	-179.9	0	0	0	0	0	113	T243 T281 W312 Q336 I338	T243-A309 HydrophobicContact CG2-CB 4.47Å; T281-A309 CarbonylContact O-C 3.57Å; T281-A309 VanDerWaalsContact O-CA 3.3Å; T281-A309 WeakPolarHBondContact O-CA 3.31Å; A309-W312 PolarHBondContact O-NE1 2.86Å; A309-Q336 PolarHBondContact N-O 3.26Å; A309-I338 HydrophobicContact CB-CG1 3.89Å
310	G	97.7	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-140.3	-29.8	-168.1	0	0	0	0	0	116.3	D308 W312 F313 A333	D308-G310 PolarHBondContact OD1-N 3.36Å; G310-W312 PolarHBondContact O-N 2.88Å; G310-F313 VanDerWaalsContact O-CB 3.23Å; G310-F313 WeakPolarHBondContact O-CB 3.39Å; G310-F313 PolarHBondContact O-N 3.07Å; G310-F313 VanDerWaalsContact O-N 3.11Å; G310-A333 CarbonylContact C-O 3.06Å; G310-A333 WeakPolarHBondContact CA-O 3.4Å
311	S	97.1	Very high	95.4	Very high	31 Å²	31	44.4 Å²	44.4	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-34	178.4	-64.3	0	0	0	0	112	D308 F313 L314 E315	D308-S311 VanDerWaalsContact OD1-CB 3.25Å; D308-S311 WeakPolarHBondContact OD1-CB 3.28Å; D308-S311 PolarHBondContact OD1-N 2.85Å; D308-S311 PolarHBondContact OD1-OG 3.38Å; D308-S311 PolarHBondContact OD2-OG 2.88Å; S311-F313 PolarHBondContact O-N 2.97Å; S311-F313 VanDerWaalsContact O-N 3.1Å; S311-L314 PolarHBondContact O-N 3.09Å; S311-L314 VanDerWaalsContact O-N 3.09Å; S311-E315 WeakPolarHBondContact O-CG 3.33Å; S311-E315 PolarHBondContact O-N 3.39Å; S311-E315 VanDerWaalsContact O-N 3.13Å
312	W	96	Very high	95.2	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-53.6	-34	175.4	77.3	-89.6	0	0	0	112.9	P240 E241 T281 A309 G310 E315 R316 P318	P240-W312 HydrophobicContact CB-CZ2 4.45Å; E241-W312 HydrophobicContact CG-CH2 4.48Å; E241-W312 HydrophobicContact CG-CZ2 4.03Å; T281-W312 HydrophobicContact CG2-CD2 4.4Å; T281-W312 HydrophobicContact CG2-CH2 4.13Å; T281-W312 HydrophobicContact CG2-CZ2 3.69Å; T281-W312 PolarHBondContact O-NE1 3.05Å; A309-W312 PolarHBondContact O-NE1 2.86Å; G310-W312 PolarHBondContact O-N 2.88Å; W312-E315 PolarHBondContact O-N 2.61Å; W312-R316 VanDerWaalsContact O-CB 3.24Å; W312-R316 WeakPolarHBondContact O-CB 3.4Å; W312-R316 WeakPolarHBondContact O-CG 3.36Å; W312-R316 PolarHBondContact O-N 2.67Å; W312-P318 HydrophobicContact CH2-CG 4.11Å; W312-P318 HydrophobicContact CZ3-CB 4.28Å; W312-P318 HydrophobicContact CZ3-CG 3.82Å
313	F	96.8	Very high	94.8	Very high	1 Å²	1	45 Å²	45	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-40.3	-177.2	179.4	-117	0	0	0	111.3	P236 P240 G310 S311 R317 P318 F319 V322 L325 A333	P236-F313 VanDerWaalsContact O-CE2 3.24Å; P236-F313 WeakPolarHBondContact O-CE2 3.32Å; P240-F313 HydrophobicContact CB-CB 3.89Å; P240-F313 HydrophobicContact CB-CG 4.19Å; P240-F313 HydrophobicContact CG-CB 3.72Å; P240-F313 HydrophobicContact CG-CD1 3.89Å; P240-F313 HydrophobicContact CG-CG 3.92Å; G310-F313 VanDerWaalsContact O-CB 3.23Å; G310-F313 WeakPolarHBondContact O-CB 3.39Å; G310-F313 PolarHBondContact O-N 3.07Å; G310-F313 VanDerWaalsContact O-N 3.11Å; S311-F313 PolarHBondContact O-N 2.97Å; S311-F313 VanDerWaalsContact O-N 3.1Å; F313-R317 WeakPolarHBondContact O-CA 3.37Å; F313-R317 PolarHBondContact O-N 3.34Å; F313-P318 HydrophobicContact CD2-CG 3.49Å; F313-P318 VanDerWaalsContact CD2-CG 3.49Å; F313-P318 HydrophobicContact CE2-CG 3.71Å; F313-P318 VanDerWaalsContact O-CD 3.29Å; F313-P318 WeakPolarHBondContact O-CD 3.49Å; F313-F319 HydrophobicContact CE2-CD2 4.22Å; F313-V322 HydrophobicContact CD1-CG1 4.49Å; F313-V322 HydrophobicContact CD1-CG2 4.46Å; F313-V322 HydrophobicContact CD2-CG2 4.25Å; F313-V322 HydrophobicContact CE1-CG1 4.4Å; F313-V322 HydrophobicContact CE1-CG2 3.92Å; F313-V322 HydrophobicContact CE2-CG2 3.63Å; F313-V322 HydrophobicContact CZ-CG2 3.46Å; F313-V322 VanDerWaalsContact CZ-CG2 3.46Å; F313-L325 HydrophobicContact CD1-CD1 4.31Å; F313-L325 HydrophobicContact CE1-CD1 3.63Å; F313-A333 HydrophobicContact CD1-CB 4.47Å
314	L	96.3	Very high	94.6	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-76.9	-35.9	179.4	-57.9	179.7	0	0	0	112.1	S311 R317 V322 L325 R330 A333	S311-L314 PolarHBondContact O-N 3.09Å; S311-L314 VanDerWaalsContact O-N 3.09Å; L314-R317 VanDerWaalsContact O-CG 3.26Å; L314-R317 WeakPolarHBondContact O-CG 3.48Å; L314-V322 HydrophobicContact CD2-CG1 4.22Å; L314-L325 HydrophobicContact CD2-CD1 4.01Å; L314-R330 HydrophobicContact CD1-CB 4.26Å; L314-R330 WeakPolarHBondContact CD1-O 3.49Å; L314-R330 HydrophobicContact CD2-CB 4.42Å; L314-R330 HydrophobicContact CD2-CG 4.1Å; L314-A333 HydrophobicContact CD1-CB 4.32Å; L314-A333 HydrophobicContact CD2-CB 4.22Å; L314-A333 HydrophobicContact CG-CB 4.31Å
315	E	93.4	Very high	94.4	Very high	146 Å²	146	49.7 Å²	49.7	68%	0.682	25%	0.254	S	S	*	.	H	α-helix	trans	-69.6	-49.8	178.4	-70.1	172.8	-172	0	0	111.4	S311 W312	S311-E315 WeakPolarHBondContact O-CG 3.33Å; S311-E315 PolarHBondContact O-N 3.39Å; S311-E315 VanDerWaalsContact O-N 3.13Å; W312-E315 PolarHBondContact O-N 2.61Å
316	R	90.5	Very high	94.4	Very high	44 Å²	44	48.2 Å²	48.2	17%	0.166	25%	0.254	C	S	.	.	H	α-helix	trans	-85.2	-28.6	-173.5	-61.5	-171.8	-169.2	171.4	9.5	112.8	Y76 W82 T279 R280 W312	Y76-R316 VanDerWaalsContact CE1-NH1 3.31Å; Y76-R316 PolarHBondContact OH-NH1 3.29Å; Y76-R316 VanDerWaalsContact OH-NH1 3.13Å; Y76-R316 PolarHBondContact OH-NH2 3.39Å; W82-R316 HydrophobicContact CB-CB 4.25Å; W82-R316 HydrophobicContact CB-CG 4.26Å; W82-R316 HydrophobicContact CD2-CB 4.06Å; W82-R316 HydrophobicContact CG-CB 3.75Å; W82-R316 HydrophobicContact CG-CG 4.25Å; W82-R316 PolarHBondContact NE1-O 3.02Å; W82-R316 VanDerWaalsContact NE1-O 3.09Å; T279-R316 PolarHBondContact O-NH2 2.88Å; R280-R316 PolarHBondContact O-NH1 3.22Å; R280-R316 PolarHBondContact O-NH2 3.22Å; W312-R316 VanDerWaalsContact O-CB 3.24Å; W312-R316 WeakPolarHBondContact O-CB 3.4Å; W312-R316 WeakPolarHBondContact O-CG 3.36Å; W312-R316 PolarHBondContact O-N 2.67Å
317	R	91.3	Very high	94.3	Very high	145 Å²	145	48.7 Å²	48.7	55%	0.547	26%	0.263	S	S	.	.			trans	53.1	64.2	-179.3	-52.4	176.5	-172.6	161.6	1.6	111.2	F313 L314 F319 V322	F313-R317 WeakPolarHBondContact O-CA 3.37Å; F313-R317 PolarHBondContact O-N 3.34Å; L314-R317 VanDerWaalsContact O-CG 3.26Å; L314-R317 WeakPolarHBondContact O-CG 3.48Å; R317-F319 PolarHBondContact O-N 2.98Å; R317-F319 VanDerWaalsContact O-N 3.09Å; R317-V322 HydrophobicContact CB-CB 4.28Å; R317-V322 HydrophobicContact CB-CG1 4.3Å; R317-V322 HydrophobicContact CG-CG1 4.06Å
318	P	89.8	Confident	94.3	Very high	8 Å²	8	51 Å²	51	5%	0.052	29%	0.286	C	S	.	.			trans	-62.8	-18	-175.3	24.5	-34.7	0	0	0	114.5	W82 W312 F313	W82-P318 HydrophobicContact CH2-CB 4.08Å; W82-P318 VanDerWaalsContact CZ2-CA 3.48Å; W82-P318 HydrophobicContact CZ2-CB 3.41Å; W82-P318 VanDerWaalsContact CZ2-CB 3.41Å; W312-P318 HydrophobicContact CH2-CG 4.11Å; W312-P318 HydrophobicContact CZ3-CB 4.28Å; W312-P318 HydrophobicContact CZ3-CG 3.82Å; F313-P318 HydrophobicContact CD2-CG 3.49Å; F313-P318 VanDerWaalsContact CD2-CG 3.49Å; F313-P318 HydrophobicContact CE2-CG 3.71Å; F313-P318 VanDerWaalsContact O-CD 3.29Å; F313-P318 WeakPolarHBondContact O-CD 3.49Å
319	F	90.6	Very high	94.2	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.044	29%	0.289	C	S	.	.	S	Bend	trans	-134.4	150.2	179.5	-56	-77.9	0	0	0	111.1	H69 P236 M237 F313 R317 T321 V322	H69-F319 HydrophobicContact CB-CE1 4Å; H69-F319 AromaticContact CD2-CZ 3.89Å; H69-F319 AromaticContact CE1-CE1 3.77Å; H69-F319 AromaticContact CE1-CE2 3.84Å; H69-F319 AromaticContact CE1-CZ 3.29Å; H69-F319 WeakPolarHBondContact CE1-CZ 3.19Å; H69-F319 AromaticContact CG-CE1 3.54Å; H69-F319 AromaticContact CG-CZ 3.7Å; H69-F319 AromaticContact ND1-CE1 3.27Å; H69-F319 VanDerWaalsContact ND1-CE1 3.27Å; H69-F319 WeakPolarHBondContact ND1-CE1 3.5Å; H69-F319 AromaticContact ND1-CZ 3.32Å; H69-F319 VanDerWaalsContact ND1-CZ 3.32Å; H69-F319 WeakPolarHBondContact ND1-CZ 3.48Å; H69-F319 AromaticContact NE2-CZ 3.63Å; P236-F319 HydrophobicContact CB-CE2 4.06Å; P236-F319 HydrophobicContact CB-CZ 4.38Å; P236-F319 WeakPolarHBondContact O-CD2 3.39Å; P236-F319 WeakPolarHBondContact O-CE2 3.47Å; M237-F319 HydrophobicContact CB-CG 4.39Å; M237-F319 HydrophobicContact CE-CD1 3.93Å; M237-F319 HydrophobicContact CE-CE1 4.05Å; M237-F319 HydrophobicContact CG-CB 4.28Å; M237-F319 HydrophobicContact CG-CD1 3.65Å; M237-F319 HydrophobicContact CG-CD2 4.22Å; M237-F319 HydrophobicContact CG-CE1 3.96Å; M237-F319 HydrophobicContact CG-CG 3.78Å; M237-F319 HydrophobicContact CG-CZ 4.38Å; F313-F319 HydrophobicContact CE2-CD2 4.22Å; R317-F319 PolarHBondContact O-N 2.98Å; R317-F319 VanDerWaalsContact O-N 3.09Å; F319-T321 WeakPolarHBondContact CB-OG1 3.18Å; F319-T321 PolarHBondContact O-N 3.34Å; F319-V322 HydrophobicContact CB-CG2 4.4Å; F319-V322 WeakPolarHBondContact O-CB 2.96Å; F319-V322 VanDerWaalsContact O-CG2 3.27Å; F319-V322 WeakPolarHBondContact O-CG2 3.06Å; F319-V322 PolarHBondContact O-N 3.17Å
320	P	88.4	Confident	94.2	Very high	91 Å²	91	56.2 Å²	56.2	59%	0.591	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.7	176.1	-26.7	35.5	0	0	0	113.9	V322 Q323	P320-V322 PolarHBondContact O-N 2.98Å; P320-Q323 PolarHBondContact O-N 3.06Å
321	T	92.2	Very high	94.2	Very high	43 Å²	43	60.5 Å²	60.5	26%	0.264	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58.9	-26.6	178.6	44.4	0	0	0	0	113.7	M237 F319 Q323 S324	M237-T321 WeakPolarHBondContact O-CB 3.41Å; M237-T321 PolarHBondContact O-OG1 3.45Å; F319-T321 WeakPolarHBondContact CB-OG1 3.18Å; F319-T321 PolarHBondContact O-N 3.34Å; T321-Q323 PolarHBondContact O-N 3.44Å; T321-S324 PolarHBondContact O-N 3.39Å
322	V	92.9	Very high	94.2	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.03	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.3	179.1	-177.8	0	0	0	0	111.7	F313 L314 R317 F319 P320 S324 L325	F313-V322 HydrophobicContact CD1-CG1 4.49Å; F313-V322 HydrophobicContact CD1-CG2 4.46Å; F313-V322 HydrophobicContact CD2-CG2 4.25Å; F313-V322 HydrophobicContact CE1-CG1 4.4Å; F313-V322 HydrophobicContact CE1-CG2 3.92Å; F313-V322 HydrophobicContact CE2-CG2 3.63Å; F313-V322 HydrophobicContact CZ-CG2 3.46Å; F313-V322 VanDerWaalsContact CZ-CG2 3.46Å; L314-V322 HydrophobicContact CD2-CG1 4.22Å; R317-V322 HydrophobicContact CB-CB 4.28Å; R317-V322 HydrophobicContact CB-CG1 4.3Å; R317-V322 HydrophobicContact CG-CG1 4.06Å; F319-V322 HydrophobicContact CB-CG2 4.4Å; F319-V322 WeakPolarHBondContact O-CB 2.96Å; F319-V322 VanDerWaalsContact O-CG2 3.27Å; F319-V322 WeakPolarHBondContact O-CG2 3.06Å; F319-V322 PolarHBondContact O-N 3.17Å; P320-V322 PolarHBondContact O-N 2.98Å; V322-S324 PolarHBondContact O-N 2.67Å; V322-L325 HydrophobicContact CB-CD1 4.46Å; V322-L325 HydrophobicContact CG1-CD1 4.04Å; V322-L325 WeakPolarHBondContact O-CG 3.42Å; V322-L325 PolarHBondContact O-N 2.82Å
323	Q	90.2	Very high	94.3	Very high	129 Å²	129	62.4 Å²	62.4	60%	0.603	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65.9	-27.3	178.9	-59.7	-178	16.7	0	0	112.2	P320 T321 R330	P320-Q323 PolarHBondContact O-N 3.06Å; T321-Q323 PolarHBondContact O-N 3.44Å; Q323-R330 PolarHBondContact O-NH2 3.41Å
324	S	93.4	Very high	94.3	Very high	109 Å²	109	64.4 Å²	64.4	76%	0.762	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-93	2.3	-176.3	-55	0	0	0	0	113.5	T321 V322	T321-S324 PolarHBondContact O-N 3.39Å; V322-S324 PolarHBondContact O-N 2.67Å
325	L	95.6	Very high	94.3	Very high	19 Å²	19	69.9 Å²	69.9	10%	0.099	37%	0.37	C	S	.	.			trans	-64.2	139.4	178.4	-65.6	173.3	0	0	0	111.9	L238 F313 L314 V322 D329 R330	L238-L325 WeakPolarHBondContact O-CD2 3.41Å; F313-L325 HydrophobicContact CD1-CD1 4.31Å; F313-L325 HydrophobicContact CE1-CD1 3.63Å; L314-L325 HydrophobicContact CD2-CD1 4.01Å; V322-L325 HydrophobicContact CB-CD1 4.46Å; V322-L325 HydrophobicContact CG1-CD1 4.04Å; V322-L325 WeakPolarHBondContact O-CG 3.42Å; V322-L325 PolarHBondContact O-N 2.82Å; L325-D329 HydrophobicContact CB-CB 4.3Å; L325-D329 HydrophobicContact CD2-CB 4.37Å; L325-R330 HydrophobicContact CB-CG 3.9Å; L325-R330 PolarHBondContact O-NE 2.87Å
326	S	97	Very high	94.5	Very high	58 Å²	58	64 Å²	64	41%	0.406	34%	0.343	S	S	.	.			trans	-62.9	159.3	173.7	74.3	0	0	0	0	111.7	G328 D329 R330	S326-G328 PolarHBondContact O-N 3.05Å; S326-D329 PolarHBondContact O-N 3.03Å; S326-D329 WeakPolarHBondContact OG-CB 3.23Å; S326-D329 PolarHBondContact OG-N 3.04Å; S326-D329 PolarHBondContact OG-OD2 2.66Å; S326-R330 WeakPolarHBondContact O-CG 3.43Å; S326-R330 PolarHBondContact O-N 3.39Å
327	V	96.7	Very high	94.9	Very high	107 Å²	107	66.5 Å²	66.5	65%	0.648	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-39.2	175.9	178.5	0	0	0	0	111.1	R330 N331	V327-R330 PolarHBondContact O-N 3.09Å; V327-N331 VanDerWaalsContact O-CG 3.28Å; V327-N331 PolarHBondContact O-N 3.21Å; V327-N331 PolarHBondContact O-ND2 2.96Å
328	G	97.4	Very high	95.2	Very high	47 Å²	47	59.9 Å²	59.9	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.6	0	0	0	0	0	112.3	S326 R330 N331 Q332	S326-G328 PolarHBondContact O-N 3.05Å; G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 2.93Å; G328-N331 PolarHBondContact O-N 2.94Å; G328-Q332 PolarHBondContact O-N 3.23Å
329	D	97.3	Very high	95.6	Very high	32 Å²	32	59.6 Å²	59.6	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-38.9	178.7	-68.9	-40.3	0	0	0	112.1	M245 K249 L325 S326 Q332 A333	M245-D329 HydrophobicContact CE-CB 4Å; M245-D329 WeakPolarHBondContact CE-O 3.44Å; K249-D329 WeakPolarHBondContact CE-OD1 3.02Å; K249-D329 VanDerWaalsContact NZ-CG 3.29Å; K249-D329 IonicContact NZ-OD1 3.75Å; K249-D329 PolarHBondContact NZ-OD1 3.49Å; K249-D329 IonicContact NZ-OD2 2.65Å; K249-D329 PolarHBondContact NZ-OD2 2.91Å; L325-D329 HydrophobicContact CB-CB 4.3Å; L325-D329 HydrophobicContact CD2-CB 4.37Å; S326-D329 PolarHBondContact O-N 3.03Å; S326-D329 WeakPolarHBondContact OG-CB 3.23Å; S326-D329 PolarHBondContact OG-N 3.04Å; S326-D329 PolarHBondContact OG-OD2 2.66Å; D329-Q332 PolarHBondContact O-N 3.23Å; D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.49Å; D329-A333 PolarHBondContact O-N 2.72Å
330	R	97.4	Very high	96	Very high	107 Å²	107	59.5 Å²	59.5	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-46.2	174.9	-69.4	176.7	-176.1	-169.7	0.1	111.2	L314 Q323 L325 S326 V327 G328 Q332 A333 S334	L314-R330 HydrophobicContact CD1-CB 4.26Å; L314-R330 WeakPolarHBondContact CD1-O 3.49Å; L314-R330 HydrophobicContact CD2-CB 4.42Å; L314-R330 HydrophobicContact CD2-CG 4.1Å; Q323-R330 PolarHBondContact O-NH2 3.41Å; L325-R330 HydrophobicContact CB-CG 3.9Å; L325-R330 PolarHBondContact O-NE 2.87Å; S326-R330 WeakPolarHBondContact O-CG 3.43Å; S326-R330 PolarHBondContact O-N 3.39Å; V327-R330 PolarHBondContact O-N 3.09Å; G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 2.93Å; R330-Q332 VanDerWaalsContact C-N 3.28Å; R330-Q332 PolarHBondContact O-N 3.41Å; R330-A333 PolarHBondContact O-N 3.18Å; R330-S334 PolarHBondContact O-N 3.37Å; R330-S334 VanDerWaalsContact O-N 3.1Å
331	N	97.3	Very high	96.5	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-31.4	177.6	-71.2	-17.9	0	0	0	112.8	V327 G328 S334 K335	V327-N331 VanDerWaalsContact O-CG 3.28Å; V327-N331 PolarHBondContact O-N 3.21Å; V327-N331 PolarHBondContact O-ND2 2.96Å; G328-N331 PolarHBondContact O-N 2.94Å; N331-S334 PolarHBondContact O-OG 3.14Å; N331-K335 WeakPolarHBondContact O-CD 3.33Å; N331-K335 WeakPolarHBondContact O-CG 3.41Å
332	Q	97.8	Very high	96.8	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-75.4	-40.6	175.5	-173.8	178.8	-1.3	0	0	111.6	M245 G328 D329 R330 S334 K335 Q336	M245-Q332 HydrophobicContact CE-CB 4.37Å; M245-Q332 HydrophobicContact CG-CG 4.23Å; M245-Q332 HydrophobicContact SD-CB 4.08Å; M245-Q332 HydrophobicContact SD-CG 3.83Å; G328-Q332 PolarHBondContact O-N 3.23Å; D329-Q332 PolarHBondContact O-N 3.23Å; R330-Q332 VanDerWaalsContact C-N 3.28Å; R330-Q332 PolarHBondContact O-N 3.41Å; Q332-S334 PolarHBondContact O-N 2.91Å; Q332-K335 PolarHBondContact O-N 3.14Å; Q332-Q336 PolarHBondContact O-NE2 3.49Å
333	A	97.6	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-44.4	178.2	0	0	0	0	0	111.2	P240 M245 G310 F313 L314 D329 R330 K335 Q336	P240-A333 HydrophobicContact CG-CB 4.01Å; M245-A333 HydrophobicContact CE-CB 4.26Å; M245-A333 VanDerWaalsContact SD-CA 3.59Å; M245-A333 HydrophobicContact SD-CB 3.91Å; G310-A333 CarbonylContact C-O 3.06Å; G310-A333 WeakPolarHBondContact CA-O 3.4Å; F313-A333 HydrophobicContact CD1-CB 4.47Å; L314-A333 HydrophobicContact CD1-CB 4.32Å; L314-A333 HydrophobicContact CD2-CB 4.22Å; L314-A333 HydrophobicContact CG-CB 4.31Å; D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.49Å; D329-A333 PolarHBondContact O-N 2.72Å; R330-A333 PolarHBondContact O-N 3.18Å; A333-K335 PolarHBondContact O-N 3.33Å; A333-Q336 WeakPolarHBondContact O-CG 3.41Å; A333-Q336 PolarHBondContact O-N 3.4Å
334	S	96.4	Very high	97.5	Very high	43 Å²	43	56.8 Å²	56.8	30%	0.301	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	1.2	178.8	73.5	0	0	0	0	114.9	R330 N331 Q332	R330-S334 PolarHBondContact O-N 3.37Å; R330-S334 VanDerWaalsContact O-N 3.1Å; N331-S334 PolarHBondContact O-OG 3.14Å; Q332-S334 PolarHBondContact O-N 2.91Å
335	K	96.8	Very high	97.7	Very high	155 Å²	155	51.6 Å²	51.6	67%	0.674	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	3.8	178.5	-66.3	176.4	-174.4	179.7	0	112.4	N331 Q332 A333	N331-K335 WeakPolarHBondContact O-CD 3.33Å; N331-K335 WeakPolarHBondContact O-CG 3.41Å; Q332-K335 PolarHBondContact O-N 3.14Å; A333-K335 PolarHBondContact O-N 3.33Å
336	Q	98.2	Very high	97.8	Very high	22 Å²	22	54 Å²	54	10%	0.103	28%	0.28	C	S	.	.			trans	-70.3	145.3	-179.1	-63.4	-54.3	-69.6	0	0	111.7	P240 T243 M245 A309 Q332 A333	P240-Q336 HydrophobicContact CG-CG 4.27Å; T243-Q336 HydrophobicContact CG2-CB 3.74Å; T243-Q336 HydrophobicContact CG2-CG 4.14Å; M245-Q336 HydrophobicContact CB-CG 3.97Å; M245-Q336 VanDerWaalsContact CB-OE1 3.26Å; M245-Q336 HydrophobicContact SD-CG 4.38Å; A309-Q336 PolarHBondContact N-O 3.26Å; Q332-Q336 PolarHBondContact O-NE2 3.49Å; A333-Q336 WeakPolarHBondContact O-CG 3.41Å; A333-Q336 PolarHBondContact O-N 3.4Å
337	K	98.3	Very high	97.9	Very high	98 Å²	98	51.5 Å²	51.5	43%	0.426	26%	0.262	S	S	.	.			trans	-118	163.9	175.5	-64.9	-61.5	-170.4	165.5	0	109.3	Q305 Q306 L307 P339	Q305-K337 PolarHBondContact O-NZ 3.01Å; Q306-K337 PolarHBondContact O-NZ 3.06Å; L307-K337 WeakPolarHBondContact O-CD 3.23Å; L307-K337 PolarHBondContact O-NZ 3.46Å; K337-P339 VanDerWaalsContact O-CD 3.31Å; K337-P339 WeakPolarHBondContact O-CD 3.44Å
338	I	98.6	Very high	97.9	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.1	117.9	168	-56.1	177.8	0	0	0	107.1	F271 L272 M273 L278 T282 L304 L307 A309	F271-I338 HydrophobicContact CB-CG2 4.23Å; F271-I338 HydrophobicContact CD2-CG2 3.54Å; F271-I338 HydrophobicContact CE2-CG2 4.33Å; F271-I338 HydrophobicContact CG-CG2 4.27Å; L272-I338 WeakPolarHBondContact O-CG2 3.43Å; M273-I338 HydrophobicContact CE-CD1 3.95Å; M273-I338 HydrophobicContact CE-CG1 4.18Å; L278-I338 HydrophobicContact CD2-CD1 4.12Å; T282-I338 HydrophobicContact CG2-CD1 4Å; T282-I338 HydrophobicContact CG2-CG1 4.32Å; L304-I338 HydrophobicContact CB-CD1 4.33Å; L304-I338 HydrophobicContact CD2-CD1 4.03Å; L307-I338 HydrophobicContact CB-CD1 4.31Å; L307-I338 HydrophobicContact CD1-CD1 4.08Å; A309-I338 HydrophobicContact CB-CG1 3.89Å
339	P	98.4	Very high	97.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.013	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-82.5	147.9	179.6	34	-33	0	0	0	111.1	N242 L244 F271 L272 K337 V344	N242-P339 WeakPolarHBondContact O-CD 3.32Å; N242-P339 VanDerWaalsContact O-CG 3.29Å; N242-P339 WeakPolarHBondContact O-CG 3.3Å; L244-P339 HydrophobicContact CD2-CB 4.24Å; L244-P339 HydrophobicContact CG-CB 4.1Å; F271-P339 WeakPolarHBondContact CA-O 3.38Å; L272-P339 HydrophobicContact CB-CG 3.9Å; L272-P339 HydrophobicContact CD1-CG 4.37Å; L272-P339 HydrophobicContact CD2-CG 3.87Å; L272-P339 HydrophobicContact CG-CG 4.24Å; L272-P339 PolarHBondContact N-O 2.94Å; K337-P339 VanDerWaalsContact O-CD 3.31Å; K337-P339 WeakPolarHBondContact O-CD 3.44Å; P339-V344 HydrophobicContact CB-CG2 4.01Å; P339-V344 HydrophobicContact CG-CG2 4.09Å
340	S	98.6	Very high	97.9	Very high	8 Å²	8	52.7 Å²	52.7	6%	0.056	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-73.7	158.6	166.9	67	0	0	0	0	110	E342 Q343 V344	S340-E342 PolarHBondContact O-N 3.15Å; S340-Q343 PolarHBondContact O-N 2.83Å; S340-Q343 WeakPolarHBondContact OG-CG 3.35Å; S340-Q343 PolarHBondContact OG-N 3.25Å; S340-V344 WeakPolarHBondContact O-CG2 3.48Å; S340-V344 PolarHBondContact O-N 2.68Å
341	L	98.7	Very high	97.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-39.7	172.3	178	59.8	0	0	0	111	V262 P270 Q343 V344 L345 I355 T374 T377	V262-L341 HydrophobicContact CG1-CD2 4.39Å; V262-L341 HydrophobicContact CG2-CD1 3.97Å; P270-L341 HydrophobicContact CB-CB 3.8Å; P270-L341 HydrophobicContact CB-CD2 3.89Å; P270-L341 PolarHBondContact O-N 3.35Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.07Å; L341-V344 WeakPolarHBondContact O-CB 3.4Å; L341-V344 PolarHBondContact O-N 2.88Å; L341-L345 HydrophobicContact CD1-CD1 4.35Å; L341-L345 HydrophobicContact CD1-CD2 4.27Å; L341-L345 HydrophobicContact CD1-CG 4.02Å; L341-L345 HydrophobicContact CD2-CD1 4.46Å; L341-L345 HydrophobicContact CG-CD1 3.91Å; L341-L345 HydrophobicContact CG-CG 4.08Å; L341-L345 VanDerWaalsContact O-CG 3.3Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 2.91Å; L341-I355 HydrophobicContact CD1-CD1 4.23Å; L341-T374 HydrophobicContact CD2-CG2 3.75Å; L341-T377 HydrophobicContact CB-CG2 4.17Å; L341-T377 HydrophobicContact CD2-CG2 4.14Å; L341-T377 HydrophobicContact CG-CG2 4.14Å
342	E	98.6	Very high	97.9	Very high	126 Å²	126	51.3 Å²	51.3	59%	0.589	25%	0.25	S	C	*	.	H	α-helix	trans	-54	-48	176.3	-176.3	-172.5	-165.4	0	0	112.3	S340 V344 L345 E346 T377	S340-E342 PolarHBondContact O-N 3.15Å; E342-V344 PolarHBondContact O-N 2.59Å; E342-L345 PolarHBondContact O-N 3.32Å; E342-E346 PolarHBondContact O-N 2.88Å; E342-T377 HydrophobicContact CB-CG2 4.11Å
343	Q	98.5	Very high	97.9	Very high	86 Å²	86	48.2 Å²	48.2	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-34.5	178	-72	174.6	-43.2	0	0	112.2	L244 S340 L341 A347	L244-Q343 HydrophobicContact CD2-CB 4.3Å; S340-Q343 PolarHBondContact O-N 2.83Å; S340-Q343 WeakPolarHBondContact OG-CG 3.35Å; S340-Q343 PolarHBondContact OG-N 3.25Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.07Å; Q343-A347 PolarHBondContact O-N 3.32Å; Q343-A347 VanDerWaalsContact O-N 3.08Å
344	V	98.2	Very high	98	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-77.4	-38.6	-179	171.5	0	0	0	0	111.7	L244 L247 L272 P339 S340 L341 E342 E346 A347 A348 I355	L244-V344 HydrophobicContact CD2-CG2 4.18Å; L247-V344 HydrophobicContact CD1-CB 4.12Å; L247-V344 HydrophobicContact CD1-CG1 3.6Å; L247-V344 HydrophobicContact CD1-CG2 3.74Å; L272-V344 HydrophobicContact CD1-CB 4.03Å; L272-V344 HydrophobicContact CD1-CG1 4.41Å; L272-V344 HydrophobicContact CD1-CG2 3.52Å; L272-V344 HydrophobicContact CD2-CB 4.46Å; L272-V344 HydrophobicContact CD2-CG1 4.32Å; L272-V344 HydrophobicContact CD2-CG2 3.58Å; L272-V344 HydrophobicContact CG-CG2 4.17Å; P339-V344 HydrophobicContact CB-CG2 4.01Å; P339-V344 HydrophobicContact CG-CG2 4.09Å; S340-V344 WeakPolarHBondContact O-CG2 3.48Å; S340-V344 PolarHBondContact O-N 2.68Å; L341-V344 WeakPolarHBondContact O-CB 3.4Å; L341-V344 PolarHBondContact O-N 2.88Å; E342-V344 PolarHBondContact O-N 2.59Å; V344-E346 VanDerWaalsContact C-N 3.29Å; V344-E346 PolarHBondContact O-N 3.38Å; V344-A347 PolarHBondContact O-N 3.09Å; V344-A348 WeakPolarHBondContact O-CB 3.46Å; V344-A348 PolarHBondContact O-N 3.23Å; V344-I355 HydrophobicContact CG1-CD1 3.64Å
345	L	98.6	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-38.6	172.1	-65.7	174.2	0	0	0	111.2	L341 E342 A348 K349 I355 T377 I378 I383 I388	L341-L345 HydrophobicContact CD1-CD1 4.35Å; L341-L345 HydrophobicContact CD1-CD2 4.27Å; L341-L345 HydrophobicContact CD1-CG 4.02Å; L341-L345 HydrophobicContact CD2-CD1 4.46Å; L341-L345 HydrophobicContact CG-CD1 3.91Å; L341-L345 HydrophobicContact CG-CG 4.08Å; L341-L345 VanDerWaalsContact O-CG 3.3Å; L341-L345 WeakPolarHBondContact O-CG 3.38Å; L341-L345 PolarHBondContact O-N 2.91Å; E342-L345 PolarHBondContact O-N 3.32Å; L345-A348 PolarHBondContact O-N 3.46Å; L345-K349 VanDerWaalsContact O-CB 3.31Å; L345-K349 WeakPolarHBondContact O-CB 3.37Å; L345-K349 PolarHBondContact O-N 3.33Å; L345-I355 HydrophobicContact CD2-CD1 4.03Å; L345-I355 HydrophobicContact CD2-CG2 3.96Å; L345-T377 HydrophobicContact CD1-CG2 4.24Å; L345-I378 HydrophobicContact CD1-CB 4.42Å; L345-I378 HydrophobicContact CD1-CG1 3.91Å; L345-I378 HydrophobicContact CD2-CG1 4.45Å; L345-I383 HydrophobicContact CD2-CD1 4.1Å; L345-I383 HydrophobicContact CD2-CG2 4.36Å; L345-I388 HydrophobicContact CD2-CD1 3.83Å
346	E	98.3	Very high	98.1	Very high	70 Å²	70	40.3 Å²	40.3	33%	0.327	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-45.6	172.9	-175.1	58.7	-145.3	0	0	111.4	E342 V344 A348 K349 Q350	E342-E346 PolarHBondContact O-N 2.88Å; V344-E346 VanDerWaalsContact C-N 3.29Å; V344-E346 PolarHBondContact O-N 3.38Å; E346-A348 VanDerWaalsContact C-N 3.34Å; E346-A348 PolarHBondContact O-N 2.89Å; E346-K349 VanDerWaalsContact CD-CE 3.5Å; E346-K349 PolarHBondContact O-N 2.87Å; E346-K349 WeakPolarHBondContact OE1-CE 3.42Å; E346-K349 IonicContact OE1-NZ 3.57Å; E346-K349 WeakPolarHBondContact OE2-CE 3.43Å; E346-K349 IonicContact OE2-NZ 2.86Å; E346-K349 PolarHBondContact OE2-NZ 3.38Å; E346-Q350 WeakPolarHBondContact O-CB 3.18Å; E346-Q350 VanDerWaalsContact O-CG 3.28Å; E346-Q350 WeakPolarHBondContact O-CG 2.87Å; E346-Q350 PolarHBondContact O-N 3.06Å; E346-Q350 WeakPolarHBondContact OE1-CG 3.4Å; E346-Q350 PolarHBondContact OE1-NE2 2.95Å
347	A	97.4	Very high	98.1	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.5	0	0	0	0	0	112.6	L244 Q343 V344 S351	L244-A347 HydrophobicContact CD2-CB 4.47Å; Q343-A347 PolarHBondContact O-N 3.32Å; Q343-A347 VanDerWaalsContact O-N 3.08Å; V344-A347 PolarHBondContact O-N 3.09Å; A347-S351 VanDerWaalsContact O-CB 3.31Å; A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 2.94Å; A347-S351 PolarHBondContact O-OG 3.03Å
348	A	98.1	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-47.7	175.2	0	0	0	0	0	111.4	F258 V344 L345 E346 S351 N352 I353 I383	F258-A348 HydrophobicContact CD2-CB 4.2Å; F258-A348 HydrophobicContact CE2-CB 4.42Å; V344-A348 WeakPolarHBondContact O-CB 3.46Å; V344-A348 PolarHBondContact O-N 3.23Å; L345-A348 PolarHBondContact O-N 3.46Å; E346-A348 VanDerWaalsContact C-N 3.34Å; E346-A348 PolarHBondContact O-N 2.89Å; A348-S351 PolarHBondContact O-N 2.89Å; A348-N352 WeakPolarHBondContact O-CA 3.47Å; A348-N352 PolarHBondContact O-N 2.91Å; A348-I353 WeakPolarHBondContact CB-O 3.5Å; A348-I353 PolarHBondContact O-N 3.37Å; A348-I383 HydrophobicContact CB-CD1 3.91Å
349	K	97.4	Very high	97.9	Very high	72 Å²	72	36 Å²	36	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-48.1	176.2	-176.6	175.9	63.2	-168.7	0	112	L345 E346 S351 N352 S381 I383	L345-K349 VanDerWaalsContact O-CB 3.31Å; L345-K349 WeakPolarHBondContact O-CB 3.37Å; L345-K349 PolarHBondContact O-N 3.33Å; E346-K349 VanDerWaalsContact CD-CE 3.5Å; E346-K349 PolarHBondContact O-N 2.87Å; E346-K349 WeakPolarHBondContact OE1-CE 3.42Å; E346-K349 IonicContact OE1-NZ 3.57Å; E346-K349 WeakPolarHBondContact OE2-CE 3.43Å; E346-K349 IonicContact OE2-NZ 2.86Å; E346-K349 PolarHBondContact OE2-NZ 3.38Å; K349-S351 VanDerWaalsContact C-N 3.29Å; K349-S351 PolarHBondContact O-N 3.21Å; K349-N352 PolarHBondContact O-N 2.92Å; K349-S381 PolarHBondContact NZ-O 2.88Å; K349-I383 HydrophobicContact CB-CG1 4.27Å
350	Q	97.1	Very high	97.5	Very high	139 Å²	139	39.7 Å²	39.7	65%	0.65	20%	0.196	S	C	*	.	H	α-helix	trans	-63.9	-34.7	179.5	-72.8	177.1	6.3	0	0	112.9	E346	E346-Q350 WeakPolarHBondContact O-CB 3.18Å; E346-Q350 VanDerWaalsContact O-CG 3.28Å; E346-Q350 WeakPolarHBondContact O-CG 2.87Å; E346-Q350 PolarHBondContact O-N 3.06Å; E346-Q350 WeakPolarHBondContact OE1-CG 3.4Å; E346-Q350 PolarHBondContact OE1-NE2 2.95Å
351	S	96.9	Very high	96.9	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-88.7	-6	-179.6	-50.6	0	0	0	0	113.1	A347 A348 K349 I353	A347-S351 VanDerWaalsContact O-CB 3.31Å; A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 2.94Å; A347-S351 PolarHBondContact O-OG 3.03Å; A348-S351 PolarHBondContact O-N 2.89Å; K349-S351 VanDerWaalsContact C-N 3.29Å; K349-S351 PolarHBondContact O-N 3.21Å; S351-I353 VanDerWaalsContact C-N 3.26Å; S351-I353 PolarHBondContact O-N 3.01Å
352	N	97.4	Very high	96	Very high	126 Å²	126	45.3 Å²	45.3	67%	0.674	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	43.5	-171.2	-169.5	48	0	0	0	112.8	A348 K349 Q387	A348-N352 WeakPolarHBondContact O-CA 3.47Å; A348-N352 PolarHBondContact O-N 2.91Å; K349-N352 PolarHBondContact O-N 2.92Å; N352-Q387 PolarHBondContact OD1-NE2 3.27Å
353	I	98.2	Very high	95.2	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.072	24%	0.237	C	C	.	.			trans	-114.7	138	-179	-74.4	171	0	0	0	108.8	V251 V255 F258 A348 S351	V251-I353 HydrophobicContact CB-CD1 4.45Å; V251-I353 HydrophobicContact CG1-CD1 4.49Å; V251-I353 HydrophobicContact CG2-CD1 3.88Å; V255-I353 HydrophobicContact CG2-CD1 4.3Å; F258-I353 HydrophobicContact CD1-CG2 3.82Å; F258-I353 HydrophobicContact CD2-CB 4.38Å; F258-I353 HydrophobicContact CD2-CG2 3.73Å; F258-I353 HydrophobicContact CE1-CD1 3.77Å; F258-I353 HydrophobicContact CE1-CG2 3.87Å; F258-I353 HydrophobicContact CE2-CB 4.03Å; F258-I353 HydrophobicContact CE2-CD1 4.31Å; F258-I353 HydrophobicContact CE2-CG2 3.8Å; F258-I353 HydrophobicContact CG-CG2 3.74Å; F258-I353 HydrophobicContact CZ-CB 4.12Å; F258-I353 HydrophobicContact CZ-CD1 3.56Å; F258-I353 HydrophobicContact CZ-CG1 4.44Å; F258-I353 HydrophobicContact CZ-CG2 3.87Å; A348-I353 WeakPolarHBondContact CB-O 3.5Å; A348-I353 PolarHBondContact O-N 3.37Å; S351-I353 VanDerWaalsContact C-N 3.26Å; S351-I353 PolarHBondContact O-N 3.01Å
354	S	98.5	Very high	94.6	Very high	29 Å²	29	45.5 Å²	45.5	20%	0.203	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	159.6	176.2	-64.7	0	0	0	0	111.5	Q256 V257 F258 Q387	Q256-S354 PolarHBondContact O-N 3.01Å; Q256-S354 VanDerWaalsContact O-N 3.1Å; V257-S354 CarbonylContact C-O 3.52Å; V257-S354 WeakPolarHBondContact CA-O 3.4Å; F258-S354 PolarHBondContact N-O 3.26Å; S354-Q387 CarbonylContact C-O 3.53Å; S354-Q387 VanDerWaalsContact CA-O 3.22Å; S354-Q387 WeakPolarHBondContact CA-O 3.44Å; S354-Q387 VanDerWaalsContact CB-O 3.25Å; S354-Q387 WeakPolarHBondContact CB-O 3.48Å
355	I	98.3	Very high	94	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.5	176.6	-169.6	177.9	0	0	0	110.1	F258 T260 L341 V344 L345 F357 Q387 I388 L389	F258-I355 CarbonylContact O-C 3.59Å; F258-I355 WeakPolarHBondContact O-CA 3.49Å; T260-I355 HydrophobicContact CG2-CD1 4.06Å; T260-I355 HydrophobicContact CG2-CG1 4.15Å; L341-I355 HydrophobicContact CD1-CD1 4.23Å; V344-I355 HydrophobicContact CG1-CD1 3.64Å; L345-I355 HydrophobicContact CD2-CD1 4.03Å; L345-I355 HydrophobicContact CD2-CG2 3.96Å; I355-F357 HydrophobicContact CD1-CD1 4.48Å; I355-F357 HydrophobicContact CG1-CD1 4.34Å; I355-Q387 PolarHBondContact N-O 2.8Å; I355-I388 HydrophobicContact CG2-CD1 3.35Å; I355-L389 WeakPolarHBondContact O-CA 3.39Å; I355-L389 WeakPolarHBondContact O-CB 3.43Å; I355-L389 PolarHBondContact O-N 3.26Å
356	M	98.5	Very high	93.5	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.6	170.7	-173.5	169.5	64.2	0	0	108	V230 V257 F258 E259 T260 L389 L391 V409 N426	V230-M356 HydrophobicContact CG1-CE 4.02Å; V257-M356 HydrophobicContact CG1-CB 3.62Å; F258-M356 PolarHBondContact O-N 3.43Å; F258-M356 VanDerWaalsContact O-O 3.14Å; E259-M356 CarbonylContact C-O 3.53Å; E259-M356 VanDerWaalsContact CA-O 3.25Å; E259-M356 WeakPolarHBondContact CA-O 3.24Å; E259-M356 HydrophobicContact CB-CE 4.15Å; E259-M356 HydrophobicContact CG-CE 3.78Å; T260-M356 PolarHBondContact N-O 3.14Å; M356-L389 WeakPolarHBondContact CA-O 3.42Å; M356-L389 HydrophobicContact CB-CB 3.78Å; M356-L389 HydrophobicContact CB-CD1 4.2Å; M356-L389 HydrophobicContact CB-CG 4.49Å; M356-L389 HydrophobicContact CG-CB 4.01Å; M356-L391 HydrophobicContact CG-CB 4.2Å; M356-L391 HydrophobicContact CG-CD2 4.3Å; M356-V409 HydrophobicContact SD-CG1 4.09Å; M356-V409 HydrophobicContact SD-CG2 4.49Å; M356-N426 HydrophobicContact SD-CB 4.32Å
357	F	97.8	Very high	93.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.2	-178.9	59.1	-91.5	0	0	0	114.1	T260 V262 I355 T374 I378 I388 W390 L391 P392	T260-F357 HydrophobicContact CG2-CB 3.68Å; T260-F357 WeakPolarHBondContact O-CA 3.07Å; T260-F357 VanDerWaalsContact O-CB 3.3Å; T260-F357 WeakPolarHBondContact O-CB 3.45Å; V262-F357 HydrophobicContact CB-CD2 4.18Å; V262-F357 HydrophobicContact CG2-CB 3.9Å; V262-F357 HydrophobicContact CG2-CD2 3.81Å; V262-F357 HydrophobicContact CG2-CG 3.89Å; I355-F357 HydrophobicContact CD1-CD1 4.48Å; I355-F357 HydrophobicContact CG1-CD1 4.34Å; F357-T374 HydrophobicContact CE2-CG2 3.8Å; F357-T374 HydrophobicContact CZ-CG2 3.85Å; F357-I378 HydrophobicContact CE1-CD1 4.16Å; F357-I378 HydrophobicContact CZ-CD1 3.91Å; F357-I388 HydrophobicContact CE1-CG2 4.22Å; F357-W390 HydrophobicContact CE2-CE3 4.3Å; F357-W390 HydrophobicContact CE2-CZ3 4.07Å; F357-W390 AromaticContact CZ-CE3 3.7Å; F357-W390 HydrophobicContact CZ-CE3 3.7Å; F357-W390 AromaticContact CZ-CZ3 3.65Å; F357-W390 HydrophobicContact CZ-CZ3 3.65Å; F357-L391 WeakPolarHBondContact O-CB 3.5Å; F357-P392 HydrophobicContact CD2-CG 4.45Å; F357-P392 HydrophobicContact CE2-CG 4.15Å; F357-P392 WeakPolarHBondContact O-CD 2.9Å
358	D	95.9	Very high	93.1	Very high	35 Å²	35	57.3 Å²	57.3	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.6	160.4	-76.1	-27.3	0	0	0	109.4	T260 V262 R360 L391	T260-D358 PolarHBondContact O-N 3.26Å; T260-D358 VanDerWaalsContact O-N 3.11Å; V262-D358 PolarHBondContact N-O 2.94Å; D358-R360 HydrophobicContact CB-CG 4.13Å; D358-R360 IonicContact OD2-CZ 3.69Å; D358-R360 IonicContact OD2-NE 4Å; D358-R360 PolarHBondContact OD2-NE 2.95Å; D358-R360 IonicContact OD2-NH2 3.25Å; D358-R360 PolarHBondContact OD2-NH2 3.22Å; D358-L391 WeakPolarHBondContact OD1-CD2 3.44Å
359	L	95.8	Very high	92.9	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.6	168.8	179.7	64	0	0	0	108.6	V262 V264 Y367 F370 V371 T374 P392	V262-L359 HydrophobicContact CB-CD1 4.17Å; V262-L359 HydrophobicContact CG1-CD1 3.84Å; V264-L359 HydrophobicContact CG2-CD1 4.37Å; L359-Y367 HydrophobicContact CB-CE2 4.37Å; L359-Y367 HydrophobicContact CD2-CE2 3.98Å; L359-Y367 HydrophobicContact CG-CE2 3.8Å; L359-Y367 PolarHBondContact O-OH 3.27Å; L359-F370 HydrophobicContact CD1-CB 4.33Å; L359-F370 HydrophobicContact CD2-CB 4.29Å; L359-V371 HydrophobicContact CD2-CB 4.33Å; L359-V371 HydrophobicContact CD2-CG2 3.63Å; L359-T374 WeakPolarHBondContact CD1-OG1 3.47Å; L359-P392 HydrophobicContact CB-CB 4.11Å; L359-P392 HydrophobicContact CB-CG 3.54Å
360	R	90.2	Very high	92.8	Very high	78 Å²	78	57.7 Å²	57.7	29%	0.294	31%	0.306	S	S	.	.	S	Bend	trans	-127.8	158.7	-168.7	-65.4	-174	-179.4	-142.1	-0.8	112.9	D261 V262 M263 D358	D261-R360 IonicContact OD1-CZ 3.81Å; D261-R360 IonicContact OD1-NE 3.9Å; D261-R360 IonicContact OD1-NH2 2.82Å; V262-R360 PolarHBondContact O-N 3.15Å; M263-R360 HydrophobicContact CE-CB 3.52Å; M263-R360 HydrophobicContact CE-CG 4.47Å; M263-R360 VanDerWaalsContact SD-C 3.58Å; M263-R360 HydrophobicContact SD-CB 3.64Å; M263-R360 VanDerWaalsContact SD-O 3.34Å; D358-R360 HydrophobicContact CB-CG 4.13Å; D358-R360 IonicContact OD2-CZ 3.69Å; D358-R360 IonicContact OD2-NE 4Å; D358-R360 PolarHBondContact OD2-NE 2.95Å; D358-R360 IonicContact OD2-NH2 3.25Å; D358-R360 PolarHBondContact OD2-NH2 3.22Å
361	P	86	Confident	92.8	Very high	23 Å²	23	51.2 Å²	51.2	15%	0.149	28%	0.276	C	S	.	.			cis	-80	137	-17.3	28.7	-27.8	0	0	0	111.4	N363 H364 Y367	P361-N363 PolarHBondContact O-N 3.24Å; P361-H364 HydrophobicContact CG-CB 4.14Å; P361-H364 WeakPolarHBondContact O-CB 3.38Å; P361-H364 PolarHBondContact O-N 2.89Å; P361-H364 VanDerWaalsContact O-N 3.12Å; P361-Y367 VanDerWaalsContact O-CD2 3.31Å; P361-Y367 WeakPolarHBondContact O-CD2 3.24Å
362	E	79.9	Confident	92.7	Very high	103 Å²	103	52 Å²	52	48%	0.481	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.9	-178.5	-62.7	-169.9	160.1	0	0	113.9	H364 Y367	E362-H364 VanDerWaalsContact C-N 3.26Å; E362-H364 PolarHBondContact O-N 2.97Å; E362-Y367 HydrophobicContact CB-CE2 4.39Å; E362-Y367 HydrophobicContact CG-CE2 4.28Å
363	N	82.4	Confident	92.7	Very high	164 Å²	164	46.8 Å²	46.8	88%	0.877	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	10.7	-179.7	-64.8	-26.4	0	0	0	113.5	P361	P361-N363 PolarHBondContact O-N 3.24Å
364	H	85.1	Confident	92.7	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.245	25%	0.247	C	C	.	.			trans	-68.5	141	177.6	-160	-93.1	0	0	0	111.1	P361 E362 D366 Y367 F370	P361-H364 HydrophobicContact CG-CB 4.14Å; P361-H364 WeakPolarHBondContact O-CB 3.38Å; P361-H364 PolarHBondContact O-N 2.89Å; P361-H364 VanDerWaalsContact O-N 3.12Å; E362-H364 VanDerWaalsContact C-N 3.26Å; E362-H364 PolarHBondContact O-N 2.97Å; H364-D366 IonicContact CE1-OD2 3.04Å; H364-D366 PolarHBondContact ND1-N 3.4Å; H364-D366 PolarHBondContact O-N 3.42Å; H364-Y367 WeakPolarHBondContact O-CB 3.44Å; H364-Y367 PolarHBondContact O-N 3.08Å; H364-F370 HydrophobicContact CB-CD2 4.39Å; H364-F370 HydrophobicContact CB-CE2 3.77Å; H364-F370 HydrophobicContact CB-CZ 4.42Å; H364-F370 AromaticContact CD2-CE2 3.95Å; H364-F370 AromaticContact CD2-CZ 3.95Å; H364-F370 AromaticContact CE1-CZ 3.57Å; H364-F370 AromaticContact CG-CE2 3.51Å; H364-F370 AromaticContact CG-CZ 3.7Å; H364-F370 AromaticContact ND1-CE2 3.67Å; H364-F370 AromaticContact ND1-CZ 3.42Å; H364-F370 WeakPolarHBondContact ND1-CZ 3.35Å; H364-F370 AromaticContact NE2-CZ 3.88Å
365	T	85.9	Confident	92.6	Very high	131 Å²	131	44.9 Å²	44.9	80%	0.804	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.5	177.8	48.5	0	0	0	0	112.2
366	D	87.9	Confident	92.6	Very high	93 Å²	93	49 Å²	49	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	24.7	-178.4	-53.1	-35.3	0	0	0	113.2	H364 Q368 S369 F370	H364-D366 IonicContact CE1-OD2 3.04Å; H364-D366 PolarHBondContact ND1-N 3.4Å; H364-D366 PolarHBondContact O-N 3.42Å; D366-Q368 PolarHBondContact O-N 2.99Å; D366-Q368 VanDerWaalsContact O-N 3.07Å; D366-S369 WeakPolarHBondContact O-CA 3.47Å; D366-S369 VanDerWaalsContact O-CB 3.23Å; D366-S369 WeakPolarHBondContact O-CB 3.21Å; D366-S369 PolarHBondContact O-N 3.18Å; D366-F370 PolarHBondContact O-N 3.16Å
367	Y	92.9	Very high	92.5	Very high	12 Å²	12	50 Å²	50	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-31.1	-175	-172	-109.7	0	0	0	113.6	L359 P361 E362 H364 S369 F370 V371 F395	L359-Y367 HydrophobicContact CB-CE2 4.37Å; L359-Y367 HydrophobicContact CD2-CE2 3.98Å; L359-Y367 HydrophobicContact CG-CE2 3.8Å; L359-Y367 PolarHBondContact O-OH 3.27Å; P361-Y367 VanDerWaalsContact O-CD2 3.31Å; P361-Y367 WeakPolarHBondContact O-CD2 3.24Å; E362-Y367 HydrophobicContact CB-CE2 4.39Å; E362-Y367 HydrophobicContact CG-CE2 4.28Å; H364-Y367 WeakPolarHBondContact O-CB 3.44Å; H364-Y367 PolarHBondContact O-N 3.08Å; Y367-S369 VanDerWaalsContact C-N 3.31Å; Y367-S369 PolarHBondContact O-N 3.41Å; Y367-F370 HydrophobicContact CD2-CD2 4.19Å; Y367-F370 WeakPolarHBondContact O-CB 3.31Å; Y367-F370 PolarHBondContact O-N 3.44Å; Y367-F370 VanDerWaalsContact O-N 3.12Å; Y367-V371 HydrophobicContact CD1-CG2 4.22Å; Y367-V371 HydrophobicContact CE1-CG2 3.88Å; Y367-V371 PolarHBondContact O-N 2.99Å; Y367-F395 AromaticContact CD1-CD2 3.96Å; Y367-F395 HydrophobicContact CD1-CD2 3.96Å; Y367-F395 AromaticContact CD1-CE2 3.89Å; Y367-F395 HydrophobicContact CD1-CE2 3.89Å; Y367-F395 HydrophobicContact CE1-CD2 4.38Å
368	Q	94.1	Very high	92.5	Very high	85 Å²	85	50 Å²	50	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-39	173.8	-162.2	174.1	10.3	0	0	112.5	D366 F370 V371 N372 F395	D366-Q368 PolarHBondContact O-N 2.99Å; D366-Q368 VanDerWaalsContact O-N 3.07Å; Q368-F370 VanDerWaalsContact C-N 3.25Å; Q368-F370 PolarHBondContact O-N 3.22Å; Q368-V371 PolarHBondContact O-N 2.99Å; Q368-N372 VanDerWaalsContact O-CG 3.25Å; Q368-N372 PolarHBondContact O-N 3.16Å; Q368-N372 PolarHBondContact O-OD1 3.5Å; Q368-F395 HydrophobicContact CB-CD2 4.29Å; Q368-F395 HydrophobicContact CB-CE1 3.99Å; Q368-F395 HydrophobicContact CB-CE2 3.62Å; Q368-F395 HydrophobicContact CB-CZ 3.45Å; Q368-F395 VanDerWaalsContact CB-CZ 3.45Å; Q368-F395 HydrophobicContact CG-CD1 4Å; Q368-F395 HydrophobicContact CG-CD2 4.31Å; Q368-F395 HydrophobicContact CG-CE1 3.67Å; Q368-F395 HydrophobicContact CG-CE2 4.02Å; Q368-F395 HydrophobicContact CG-CG 4.31Å; Q368-F395 HydrophobicContact CG-CZ 3.69Å
369	S	94.4	Very high	92.6	Very high	68 Å²	68	52.6 Å²	52.6	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-37.5	175	-171.7	0	0	0	0	110.7	D366 Y367 N372 A373	D366-S369 WeakPolarHBondContact O-CA 3.47Å; D366-S369 VanDerWaalsContact O-CB 3.23Å; D366-S369 WeakPolarHBondContact O-CB 3.21Å; D366-S369 PolarHBondContact O-N 3.18Å; Y367-S369 VanDerWaalsContact C-N 3.31Å; Y367-S369 PolarHBondContact O-N 3.41Å; S369-N372 PolarHBondContact O-N 3.14Å; S369-A373 WeakPolarHBondContact O-CB 3.49Å; S369-A373 PolarHBondContact O-N 3.35Å
370	F	95.7	Very high	92.7	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-41.3	177.5	-61.7	-6.2	0	0	0	111.9	V264 T297 L359 H364 D366 Y367 Q368 T374	V264-F370 HydrophobicContact CB-CB 4.28Å; V264-F370 HydrophobicContact CB-CD1 3.54Å; V264-F370 HydrophobicContact CB-CD2 4.43Å; V264-F370 HydrophobicContact CB-CE1 3.9Å; V264-F370 HydrophobicContact CB-CG 3.84Å; V264-F370 HydrophobicContact CB-CZ 4.48Å; V264-F370 HydrophobicContact CG1-CD1 3.85Å; V264-F370 HydrophobicContact CG1-CE1 4.2Å; V264-F370 HydrophobicContact CG2-CB 3.68Å; V264-F370 HydrophobicContact CG2-CD1 3.95Å; V264-F370 HydrophobicContact CG2-CD2 4.49Å; V264-F370 HydrophobicContact CG2-CG 3.8Å; T297-F370 HydrophobicContact CG2-CE2 4.29Å; T297-F370 HydrophobicContact CG2-CZ 4.24Å; L359-F370 HydrophobicContact CD1-CB 4.33Å; L359-F370 HydrophobicContact CD2-CB 4.29Å; H364-F370 HydrophobicContact CB-CD2 4.39Å; H364-F370 HydrophobicContact CB-CE2 3.77Å; H364-F370 HydrophobicContact CB-CZ 4.42Å; H364-F370 AromaticContact CD2-CE2 3.95Å; H364-F370 AromaticContact CD2-CZ 3.95Å; H364-F370 AromaticContact CE1-CZ 3.57Å; H364-F370 AromaticContact CG-CE2 3.51Å; H364-F370 AromaticContact CG-CZ 3.7Å; H364-F370 AromaticContact ND1-CE2 3.67Å; H364-F370 AromaticContact ND1-CZ 3.42Å; H364-F370 WeakPolarHBondContact ND1-CZ 3.35Å; H364-F370 AromaticContact NE2-CZ 3.88Å; D366-F370 PolarHBondContact O-N 3.16Å; Y367-F370 HydrophobicContact CD2-CD2 4.19Å; Y367-F370 WeakPolarHBondContact O-CB 3.31Å; Y367-F370 PolarHBondContact O-N 3.44Å; Y367-F370 VanDerWaalsContact O-N 3.12Å; Q368-F370 VanDerWaalsContact C-N 3.25Å; Q368-F370 PolarHBondContact O-N 3.22Å; F370-T374 VanDerWaalsContact O-CB 3.27Å; F370-T374 WeakPolarHBondContact O-CB 3.44Å; F370-T374 PolarHBondContact O-N 3.3Å; F370-T374 PolarHBondContact O-OG1 2.83Å
371	V	96.6	Very high	93	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-49.4	173.5	172.2	0	0	0	0	110.1	L359 Y367 Q368 T374 L375 W390 F395 V399	L359-V371 HydrophobicContact CD2-CB 4.33Å; L359-V371 HydrophobicContact CD2-CG2 3.63Å; Y367-V371 HydrophobicContact CD1-CG2 4.22Å; Y367-V371 HydrophobicContact CE1-CG2 3.88Å; Y367-V371 PolarHBondContact O-N 2.99Å; Q368-V371 PolarHBondContact O-N 2.99Å; V371-T374 PolarHBondContact O-N 3.04Å; V371-L375 HydrophobicContact CG1-CD1 3.95Å; V371-L375 HydrophobicContact CG1-CG 4.39Å; V371-L375 WeakPolarHBondContact O-CG 3.46Å; V371-L375 PolarHBondContact O-N 3.35Å; V371-W390 HydrophobicContact CG1-CH2 4.14Å; V371-W390 HydrophobicContact CG1-CZ2 4.11Å; V371-F395 HydrophobicContact CG1-CB 4.39Å; V371-F395 HydrophobicContact CG2-CB 4.46Å; V371-F395 HydrophobicContact CG2-CD2 4.04Å; V371-V399 HydrophobicContact CG1-CG2 3.92Å
372	N	95.9	Very high	93.5	Very high	59 Å²	59	58.7 Å²	58.7	32%	0.316	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-50.3	-179.1	-66.6	-10.4	0	0	0	111.8	Q368 S369 T374 L375 D376	Q368-N372 VanDerWaalsContact O-CG 3.25Å; Q368-N372 PolarHBondContact O-N 3.16Å; Q368-N372 PolarHBondContact O-OD1 3.5Å; S369-N372 PolarHBondContact O-N 3.14Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.31Å; N372-L375 PolarHBondContact O-N 3.48Å; N372-L375 VanDerWaalsContact O-N 3.16Å; N372-D376 WeakPolarHBondContact O-CB 3.23Å; N372-D376 PolarHBondContact O-N 2.98Å
373	A	97.2	Very high	94.3	Very high	16 Å²	16	54.1 Å²	54.1	13%	0.132	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-38	178.4	0	0	0	0	0	112.4	V264 P270 S369 T377	V264-A373 HydrophobicContact CG1-CB 4.35Å; P270-A373 HydrophobicContact CG-CB 4.13Å; S369-A373 WeakPolarHBondContact O-CB 3.49Å; S369-A373 PolarHBondContact O-N 3.35Å; A373-T377 WeakPolarHBondContact O-CB 3.25Å; A373-T377 PolarHBondContact O-N 2.95Å; A373-T377 PolarHBondContact O-OG1 3.19Å
374	T	97.4	Very high	95	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-46.3	176.3	-59	0	0	0	0	111.4	L341 F357 L359 F370 V371 N372 T377 I378 W390	L341-T374 HydrophobicContact CD2-CG2 3.75Å; F357-T374 HydrophobicContact CE2-CG2 3.8Å; F357-T374 HydrophobicContact CZ-CG2 3.85Å; L359-T374 WeakPolarHBondContact CD1-OG1 3.47Å; F370-T374 VanDerWaalsContact O-CB 3.27Å; F370-T374 WeakPolarHBondContact O-CB 3.44Å; F370-T374 PolarHBondContact O-N 3.3Å; F370-T374 PolarHBondContact O-OG1 2.83Å; V371-T374 PolarHBondContact O-N 3.04Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.31Å; T374-T377 PolarHBondContact O-N 2.64Å; T374-I378 HydrophobicContact CG2-CD1 4.03Å; T374-I378 VanDerWaalsContact O-CG1 3.31Å; T374-I378 WeakPolarHBondContact O-CG1 3.33Å; T374-I378 PolarHBondContact O-N 3.23Å; T374-W390 HydrophobicContact CG2-CH2 4.37Å; T374-W390 HydrophobicContact CG2-CZ3 4.15Å
375	L	96.8	Very high	95.6	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-43.8	177.4	-71.1	175.5	0	0	0	112.1	V371 N372 T377 I378 L379 W390 V399 V403	V371-L375 HydrophobicContact CG1-CD1 3.95Å; V371-L375 HydrophobicContact CG1-CG 4.39Å; V371-L375 WeakPolarHBondContact O-CG 3.46Å; V371-L375 PolarHBondContact O-N 3.35Å; N372-L375 PolarHBondContact O-N 3.48Å; N372-L375 VanDerWaalsContact O-N 3.16Å; L375-T377 VanDerWaalsContact C-N 3.29Å; L375-T377 PolarHBondContact O-N 3.22Å; L375-I378 WeakPolarHBondContact O-CB 3.24Å; L375-I378 PolarHBondContact O-N 3.17Å; L375-I378 VanDerWaalsContact O-N 3.14Å; L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.26Å; L375-W390 HydrophobicContact CD2-CE3 4.15Å; L375-W390 HydrophobicContact CD2-CH2 3.92Å; L375-W390 HydrophobicContact CD2-CZ3 3.54Å; L375-W390 HydrophobicContact CG-CH2 4.11Å; L375-W390 HydrophobicContact CG-CZ3 4.17Å; L375-V399 HydrophobicContact CD1-CG1 4.41Å; L375-V399 HydrophobicContact CD1-CG2 4.03Å; L375-V399 HydrophobicContact CD2-CG1 3.91Å; L375-V403 HydrophobicContact CD2-CG2 4.17Å
376	D	97.4	Very high	96.1	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-44.3	176.7	-72.8	-21.3	0	0	0	110.6	N372 I378 L379 Q380	N372-D376 WeakPolarHBondContact O-CB 3.23Å; N372-D376 PolarHBondContact O-N 2.98Å; D376-I378 PolarHBondContact O-N 2.88Å; D376-L379 PolarHBondContact O-N 3.46Å; D376-Q380 WeakPolarHBondContact O-CB 3.39Å; D376-Q380 WeakPolarHBondContact O-CG 3.37Å; D376-Q380 PolarHBondContact O-N 2.95Å
377	T	98.3	Very high	96.5	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-42.8	175.7	-56.7	0	0	0	0	111.7	P270 L341 E342 L345 A373 T374 L375 Q380 S381	P270-T377 WeakPolarHBondContact CG-OG1 3.44Å; L341-T377 HydrophobicContact CB-CG2 4.17Å; L341-T377 HydrophobicContact CD2-CG2 4.14Å; L341-T377 HydrophobicContact CG-CG2 4.14Å; E342-T377 HydrophobicContact CB-CG2 4.11Å; L345-T377 HydrophobicContact CD1-CG2 4.24Å; A373-T377 WeakPolarHBondContact O-CB 3.25Å; A373-T377 PolarHBondContact O-N 2.95Å; A373-T377 PolarHBondContact O-OG1 3.19Å; T374-T377 PolarHBondContact O-N 2.64Å; L375-T377 VanDerWaalsContact C-N 3.29Å; L375-T377 PolarHBondContact O-N 3.22Å; T377-Q380 PolarHBondContact O-N 2.92Å; T377-S381 WeakPolarHBondContact O-CB 3.2Å; T377-S381 PolarHBondContact O-N 2.93Å
378	I	97.9	Very high	96.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-49.5	176.8	-72	164	0	0	0	111	L345 F357 T374 L375 D376 Q380 S381 I383 L385 I388 W390	L345-I378 HydrophobicContact CD1-CB 4.42Å; L345-I378 HydrophobicContact CD1-CG1 3.91Å; L345-I378 HydrophobicContact CD2-CG1 4.45Å; F357-I378 HydrophobicContact CE1-CD1 4.16Å; F357-I378 HydrophobicContact CZ-CD1 3.91Å; T374-I378 HydrophobicContact CG2-CD1 4.03Å; T374-I378 VanDerWaalsContact O-CG1 3.31Å; T374-I378 WeakPolarHBondContact O-CG1 3.33Å; T374-I378 PolarHBondContact O-N 3.23Å; L375-I378 WeakPolarHBondContact O-CB 3.24Å; L375-I378 PolarHBondContact O-N 3.17Å; L375-I378 VanDerWaalsContact O-N 3.14Å; D376-I378 PolarHBondContact O-N 2.88Å; I378-Q380 VanDerWaalsContact C-N 3.34Å; I378-Q380 PolarHBondContact O-N 3.43Å; I378-S381 PolarHBondContact O-N 2.8Å; I378-S381 PolarHBondContact O-OG 2.87Å; I378-I383 HydrophobicContact CG2-CG2 4.32Å; I378-L385 HydrophobicContact CG2-CD2 4.01Å; I378-I388 HydrophobicContact CD1-CG2 4.21Å; I378-I388 HydrophobicContact CG2-CD1 4.18Å; I378-I388 HydrophobicContact CG2-CG1 3.88Å; I378-W390 HydrophobicContact CD1-CZ3 4.15Å
379	L	97.1	Very high	96.9	Very high	90 Å²	90	40.9 Å²	40.9	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-40.4	-178.7	-68.8	171.3	0	0	0	111.7	L375 D376 L385 V403	L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.26Å; D376-L379 PolarHBondContact O-N 3.46Å; L379-L385 HydrophobicContact CD2-CD2 4.29Å; L379-V403 HydrophobicContact CD1-CG2 4.25Å; L379-V403 HydrophobicContact CD2-CG1 4.06Å; L379-V403 HydrophobicContact CD2-CG2 4.26Å
380	Q	97.3	Very high	97.1	Very high	160 Å²	160	37.7 Å²	37.7	75%	0.748	21%	0.211	S	C	*	.	H	α-helix	trans	-70.4	-29.7	178.9	-70.6	171.9	25.3	0	0	113	D376 T377 I378 G382	D376-Q380 WeakPolarHBondContact O-CB 3.39Å; D376-Q380 WeakPolarHBondContact O-CG 3.37Å; D376-Q380 PolarHBondContact O-N 2.95Å; T377-Q380 PolarHBondContact O-N 2.92Å; I378-Q380 VanDerWaalsContact C-N 3.34Å; I378-Q380 PolarHBondContact O-N 3.43Å; Q380-G382 PolarHBondContact O-N 2.86Å
381	S	97.3	Very high	97.1	Very high	15 Å²	15	37.5 Å²	37.5	11%	0.105	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-20.1	-179.1	75.7	0	0	0	0	114.6	K349 T377 I378 I383	K349-S381 PolarHBondContact NZ-O 2.88Å; T377-S381 WeakPolarHBondContact O-CB 3.2Å; T377-S381 PolarHBondContact O-N 2.93Å; I378-S381 PolarHBondContact O-N 2.8Å; I378-S381 PolarHBondContact O-OG 2.87Å; S381-I383 PolarHBondContact O-N 2.93Å; S381-I383 VanDerWaalsContact OG-CG2 3.24Å; S381-I383 WeakPolarHBondContact OG-CG2 3.32Å; S381-I383 PolarHBondContact OG-N 3.27Å
382	G	96.1	Very high	97	Very high	55 Å²	55	37.5 Å²	37.5	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	14.9	-175.8	0	0	0	0	0	114.6	Q380	Q380-G382 PolarHBondContact O-N 2.86Å
383	I	97.3	Very high	96.6	Very high	7 Å²	7	38 Å²	38	4%	0.036	21%	0.214	C	C	.	.			trans	-63.6	139.3	172.8	-166.3	171.5	0	0	0	110.3	L345 A348 K349 I378 S381 L385 Q387 I388	L345-I383 HydrophobicContact CD2-CD1 4.1Å; L345-I383 HydrophobicContact CD2-CG2 4.36Å; A348-I383 HydrophobicContact CB-CD1 3.91Å; K349-I383 HydrophobicContact CB-CG1 4.27Å; I378-I383 HydrophobicContact CG2-CG2 4.32Å; S381-I383 PolarHBondContact O-N 2.93Å; S381-I383 VanDerWaalsContact OG-CG2 3.24Å; S381-I383 WeakPolarHBondContact OG-CG2 3.32Å; S381-I383 PolarHBondContact OG-N 3.27Å; I383-L385 PolarHBondContact O-N 3.17Å; I383-L385 VanDerWaalsContact O-N 3.13Å; I383-Q387 HydrophobicContact CD1-CB 4.34Å; I383-Q387 HydrophobicContact CG1-CB 4.35Å; I383-I388 HydrophobicContact CD1-CD1 4.03Å; I383-I388 HydrophobicContact CG2-CD1 3.72Å; I383-I388 HydrophobicContact CG2-CG1 4.14Å
384	P	97.6	Very high	96.2	Very high	61 Å²	61	38.5 Å²	38.5	40%	0.396	22%	0.22	S	C	.	.			trans	-53.5	121	171.4	-26.5	34	0	0	0	111	Q386 Q387	P384-Q386 PolarHBondContact O-N 3.31Å; P384-Q387 HydrophobicContact CB-CG 4.28Å; P384-Q387 VanDerWaalsContact O-CB 3.32Å; P384-Q387 WeakPolarHBondContact O-CB 3.42Å; P384-Q387 PolarHBondContact O-N 2.97Å
385	L	96.9	Very high	96	Very high	46 Å²	46	42 Å²	42	24%	0.241	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.7	-173.9	-63.2	176.7	0	0	0	112.8	I378 L379 I383 Q387 I388 V403 G405 V406	I378-L385 HydrophobicContact CG2-CD2 4.01Å; L379-L385 HydrophobicContact CD2-CD2 4.29Å; I383-L385 PolarHBondContact O-N 3.17Å; I383-L385 VanDerWaalsContact O-N 3.13Å; L385-Q387 PolarHBondContact O-N 3.37Å; L385-I388 WeakPolarHBondContact O-CB 3.43Å; L385-I388 PolarHBondContact O-N 3.06Å; L385-V403 HydrophobicContact CD1-CG1 3.71Å; L385-V403 HydrophobicContact CD2-CG1 3.94Å; L385-V403 HydrophobicContact CG-CG1 4.39Å; L385-G405 CarbonylContact C-O 3.5Å; L385-G405 VanDerWaalsContact C-O 3.23Å; L385-V406 HydrophobicContact CD2-CG1 4.39Å; L385-V406 WeakPolarHBondContact O-CA 3.28Å
386	Q	95.7	Very high	95.7	Very high	118 Å²	118	42.6 Å²	42.6	55%	0.551	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.7	175.8	-58.9	80.8	8.5	0	0	113.3	P384 I388 G405 Q407	P384-Q386 PolarHBondContact O-N 3.31Å; Q386-I388 VanDerWaalsContact C-N 3.31Å; Q386-G405 PolarHBondContact N-O 3.32Å; Q386-Q407 VanDerWaalsContact O-CD 3.31Å; Q386-Q407 PolarHBondContact O-NE2 2.79Å
387	Q	97.2	Very high	95.5	Very high	18 Å²	18	43 Å²	43	8%	0.084	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-82.6	-9.4	172.5	-70.5	179.5	-24	0	0	112.5	N352 S354 I355 I383 P384 L385	N352-Q387 PolarHBondContact OD1-NE2 3.27Å; S354-Q387 CarbonylContact C-O 3.53Å; S354-Q387 VanDerWaalsContact CA-O 3.22Å; S354-Q387 WeakPolarHBondContact CA-O 3.44Å; S354-Q387 VanDerWaalsContact CB-O 3.25Å; S354-Q387 WeakPolarHBondContact CB-O 3.48Å; I355-Q387 PolarHBondContact N-O 2.8Å; I383-Q387 HydrophobicContact CD1-CB 4.34Å; I383-Q387 HydrophobicContact CG1-CB 4.35Å; P384-Q387 HydrophobicContact CB-CG 4.28Å; P384-Q387 VanDerWaalsContact O-CB 3.32Å; P384-Q387 WeakPolarHBondContact O-CB 3.42Å; P384-Q387 PolarHBondContact O-N 2.97Å; L385-Q387 PolarHBondContact O-N 3.37Å
388	I	98.2	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115	177	-54.6	-56.6	0	0	0	109.5	L345 I355 F357 I378 I383 L385 Q386 V406 Q407	L345-I388 HydrophobicContact CD2-CD1 3.83Å; I355-I388 HydrophobicContact CG2-CD1 3.35Å; F357-I388 HydrophobicContact CE1-CG2 4.22Å; I378-I388 HydrophobicContact CD1-CG2 4.21Å; I378-I388 HydrophobicContact CG2-CD1 4.18Å; I378-I388 HydrophobicContact CG2-CG1 3.88Å; I383-I388 HydrophobicContact CD1-CD1 4.03Å; I383-I388 HydrophobicContact CG2-CD1 3.72Å; I383-I388 HydrophobicContact CG2-CG1 4.14Å; L385-I388 WeakPolarHBondContact O-CB 3.43Å; L385-I388 PolarHBondContact O-N 3.06Å; Q386-I388 VanDerWaalsContact C-N 3.31Å; I388-V406 HydrophobicContact CB-CB 4.15Å; I388-V406 HydrophobicContact CB-CG1 3.91Å; I388-V406 HydrophobicContact CG1-CG1 4.46Å; I388-V406 HydrophobicContact CG2-CB 4.09Å; I388-V406 HydrophobicContact CG2-CG1 3.89Å; I388-Q407 PolarHBondContact O-N 2.83Å
389	L	97.8	Very high	95.1	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	93	171.4	-57.9	-168	0	0	0	108.9	V257 I355 M356 L391 Q407 V409	V257-L389 HydrophobicContact CB-CD1 4.5Å; V257-L389 HydrophobicContact CG1-CD1 3.85Å; V257-L389 HydrophobicContact CG2-CD1 3.76Å; I355-L389 WeakPolarHBondContact O-CA 3.39Å; I355-L389 WeakPolarHBondContact O-CB 3.43Å; I355-L389 PolarHBondContact O-N 3.26Å; M356-L389 WeakPolarHBondContact CA-O 3.42Å; M356-L389 HydrophobicContact CB-CB 3.78Å; M356-L389 HydrophobicContact CB-CD1 4.2Å; M356-L389 HydrophobicContact CB-CG 4.49Å; M356-L389 HydrophobicContact CG-CB 4.01Å; L389-L391 PolarHBondContact O-N 2.9Å; L389-L391 VanDerWaalsContact O-N 3.17Å; L389-Q407 CarbonylContact C-O 3.58Å; L389-Q407 WeakPolarHBondContact CA-O 3.42Å; L389-Q407 HydrophobicContact CD2-CB 3.64Å; L389-Q407 HydrophobicContact CD2-CG 4.14Å; L389-V409 HydrophobicContact CB-CG2 3.76Å; L389-V409 HydrophobicContact CD2-CG2 4.42Å; L389-V409 HydrophobicContact CG-CG2 4.45Å
390	W	97.1	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	102.2	-179.4	-171	-87.2	0	0	0	110.8	F357 V371 T374 L375 I378 P392 V399 V406 Q407 V409	F357-W390 HydrophobicContact CE2-CE3 4.3Å; F357-W390 HydrophobicContact CE2-CZ3 4.07Å; F357-W390 AromaticContact CZ-CE3 3.7Å; F357-W390 HydrophobicContact CZ-CE3 3.7Å; F357-W390 AromaticContact CZ-CZ3 3.65Å; F357-W390 HydrophobicContact CZ-CZ3 3.65Å; V371-W390 HydrophobicContact CG1-CH2 4.14Å; V371-W390 HydrophobicContact CG1-CZ2 4.11Å; T374-W390 HydrophobicContact CG2-CH2 4.37Å; T374-W390 HydrophobicContact CG2-CZ3 4.15Å; L375-W390 HydrophobicContact CD2-CE3 4.15Å; L375-W390 HydrophobicContact CD2-CH2 3.92Å; L375-W390 HydrophobicContact CD2-CZ3 3.54Å; L375-W390 HydrophobicContact CG-CH2 4.11Å; L375-W390 HydrophobicContact CG-CZ3 4.17Å; I378-W390 HydrophobicContact CD1-CZ3 4.15Å; W390-P392 HydrophobicContact CD2-CG 4.46Å; W390-P392 HydrophobicContact CZ2-CB 4Å; W390-P392 HydrophobicContact CZ2-CG 4Å; W390-P392 PolarHBondContact NE1-O 2.77Å; W390-V399 HydrophobicContact CD2-CG1 3.97Å; W390-V399 HydrophobicContact CE3-CG1 4.33Å; W390-V399 HydrophobicContact CG-CG1 4.3Å; W390-V399 HydrophobicContact CH2-CG2 4.37Å; W390-V399 HydrophobicContact CZ2-CG1 4.42Å; W390-V399 HydrophobicContact CZ2-CG2 3.73Å; W390-V406 HydrophobicContact CB-CB 4.44Å; W390-V406 HydrophobicContact CB-CG2 3.96Å; W390-V406 HydrophobicContact CG-CG2 4.5Å; W390-Q407 PolarHBondContact N-O 3.33Å; W390-V409 PolarHBondContact O-N 2.87Å
391	L	96.1	Very high	94.7	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	23%	0.229	C	C	.	.			trans	-87.3	-32.2	176.2	-175.9	61.3	0	0	0	115	M356 F357 D358 L389 D393 R396 V409 N426	M356-L391 HydrophobicContact CG-CB 4.2Å; M356-L391 HydrophobicContact CG-CD2 4.3Å; F357-L391 WeakPolarHBondContact O-CB 3.5Å; D358-L391 WeakPolarHBondContact OD1-CD2 3.44Å; L389-L391 PolarHBondContact O-N 2.9Å; L389-L391 VanDerWaalsContact O-N 3.17Å; L391-D393 PolarHBondContact O-N 3.18Å; L391-R396 PolarHBondContact O-NH2 3Å; L391-V409 HydrophobicContact CD1-CB 4.19Å; L391-V409 HydrophobicContact CD1-CG1 3.9Å; L391-N426 HydrophobicContact CD1-CB 3.75Å; L391-N426 WeakPolarHBondContact CD2-ND2 3.35Å
392	P	94.9	Very high	94.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.013	25%	0.251	C	S	.	.			trans	-58.1	133.5	-175.3	-26.5	34.8	0	0	0	113.9	F357 L359 W390 R396	F357-P392 HydrophobicContact CD2-CG 4.45Å; F357-P392 HydrophobicContact CE2-CG 4.15Å; F357-P392 WeakPolarHBondContact O-CD 2.9Å; L359-P392 HydrophobicContact CB-CB 4.11Å; L359-P392 HydrophobicContact CB-CG 3.54Å; W390-P392 HydrophobicContact CD2-CG 4.46Å; W390-P392 HydrophobicContact CZ2-CB 4Å; W390-P392 HydrophobicContact CZ2-CG 4Å; W390-P392 PolarHBondContact NE1-O 2.77Å; P392-R396 PolarHBondContact O-NH2 3.37Å
393	D	87.9	Confident	94.3	Very high	71 Å²	71	45.2 Å²	45.2	38%	0.38	23%	0.226	S	C	.	.			trans	-82.3	-35.1	179.9	-81.7	-17.3	0	0	0	113.1	L391 R396	L391-D393 PolarHBondContact O-N 3.18Å; D393-R396 WeakPolarHBondContact O-CB 3.36Å; D393-R396 PolarHBondContact O-N 3.46Å; D393-R396 IonicContact OD1-CZ 3.77Å; D393-R396 IonicContact OD1-NE 3.36Å; D393-R396 IonicContact OD1-NH2 2.73Å; D393-R396 PolarHBondContact OD1-NH2 2.91Å
394	G	88.4	Confident	94	Very high	25 Å²	25	50 Å²	50	26%	0.258	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	136.6	-179.3	0	0	0	0	0	112.5	R396	G394-R396 PolarHBondContact O-N 3.21Å
395	F	92.3	Very high	93.7	Very high	75 Å²	75	48.1 Å²	48.1	33%	0.329	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	15.7	-179.1	-57	-80.7	0	0	0	115.4	Y367 Q368 V371 E397 Q398 V399	Y367-F395 AromaticContact CD1-CD2 3.96Å; Y367-F395 HydrophobicContact CD1-CD2 3.96Å; Y367-F395 AromaticContact CD1-CE2 3.89Å; Y367-F395 HydrophobicContact CD1-CE2 3.89Å; Y367-F395 HydrophobicContact CE1-CD2 4.38Å; Q368-F395 HydrophobicContact CB-CD2 4.29Å; Q368-F395 HydrophobicContact CB-CE1 3.99Å; Q368-F395 HydrophobicContact CB-CE2 3.62Å; Q368-F395 HydrophobicContact CB-CZ 3.45Å; Q368-F395 VanDerWaalsContact CB-CZ 3.45Å; Q368-F395 HydrophobicContact CG-CD1 4Å; Q368-F395 HydrophobicContact CG-CD2 4.31Å; Q368-F395 HydrophobicContact CG-CE1 3.67Å; Q368-F395 HydrophobicContact CG-CE2 4.02Å; Q368-F395 HydrophobicContact CG-CG 4.31Å; Q368-F395 HydrophobicContact CG-CZ 3.69Å; V371-F395 HydrophobicContact CG1-CB 4.39Å; V371-F395 HydrophobicContact CG2-CB 4.46Å; V371-F395 HydrophobicContact CG2-CD2 4.04Å; F395-E397 VanDerWaalsContact C-N 3.3Å; F395-E397 PolarHBondContact O-N 3.39Å; F395-E397 VanDerWaalsContact O-N 3.14Å; F395-Q398 WeakPolarHBondContact O-CA 3.47Å; F395-Q398 WeakPolarHBondContact O-CB 3.39Å; F395-Q398 PolarHBondContact O-N 3.25Å; F395-V399 WeakPolarHBondContact O-CG2 3.42Å; F395-V399 PolarHBondContact O-N 2.74Å
396	R	91.9	Very high	93.6	Very high	15 Å²	15	46.3 Å²	46.3	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-50.2	-42.6	-177.1	-177.2	178.3	-66.2	-120.6	0.6	114.6	L391 P392 D393 G394 Q398 V399 K400 Q408 V409 Y410	L391-R396 PolarHBondContact O-NH2 3Å; P392-R396 PolarHBondContact O-NH2 3.37Å; D393-R396 WeakPolarHBondContact O-CB 3.36Å; D393-R396 PolarHBondContact O-N 3.46Å; D393-R396 IonicContact OD1-CZ 3.77Å; D393-R396 IonicContact OD1-NE 3.36Å; D393-R396 IonicContact OD1-NH2 2.73Å; D393-R396 PolarHBondContact OD1-NH2 2.91Å; G394-R396 PolarHBondContact O-N 3.21Å; R396-Q398 VanDerWaalsContact C-N 3.3Å; R396-Q398 PolarHBondContact O-N 3.45Å; R396-V399 WeakPolarHBondContact O-CB 3.48Å; R396-V399 PolarHBondContact O-N 3.05Å; R396-V399 VanDerWaalsContact O-N 3.17Å; R396-K400 WeakPolarHBondContact O-CG 2.98Å; R396-K400 PolarHBondContact O-N 3.33Å; R396-Q408 VanDerWaalsContact CG-OE1 3.27Å; R396-V409 VanDerWaalsContact CZ-O 3.31Å; R396-V409 PolarHBondContact NH1-O 3.27Å; R396-V409 PolarHBondContact NH2-O 3.44Å; R396-Y410 VanDerWaalsContact NH1-CD1 3.34Å; R396-Y410 VanDerWaalsContact NH1-CE1 3.31Å
397	E	91.8	Very high	93.6	Very high	94 Å²	94	43.9 Å²	43.9	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-35.5	178.5	-66.3	-51.2	125.7	0	0	112.6	F395 K400 Q401	F395-E397 VanDerWaalsContact C-N 3.3Å; F395-E397 PolarHBondContact O-N 3.39Å; F395-E397 VanDerWaalsContact O-N 3.14Å; E397-K400 IonicContact OE1-NZ 2.71Å; E397-K400 PolarHBondContact OE1-NZ 2.89Å; E397-K400 IonicContact OE2-NZ 3.24Å; E397-Q401 VanDerWaalsContact O-CG 3.27Å; E397-Q401 WeakPolarHBondContact O-CG 3.33Å; E397-Q401 PolarHBondContact O-N 2.92Å
398	Q	92.9	Very high	93.5	Very high	70 Å²	70	44.3 Å²	44.3	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-42.4	173	-62.2	179.6	-11.4	0	0	110.4	F395 R396 K400 Q401 Q402	F395-Q398 WeakPolarHBondContact O-CA 3.47Å; F395-Q398 WeakPolarHBondContact O-CB 3.39Å; F395-Q398 PolarHBondContact O-N 3.25Å; R396-Q398 VanDerWaalsContact C-N 3.3Å; R396-Q398 PolarHBondContact O-N 3.45Å; Q398-K400 PolarHBondContact O-N 3.26Å; Q398-Q401 PolarHBondContact O-N 3.1Å; Q398-Q402 WeakPolarHBondContact O-CB 3.49Å; Q398-Q402 WeakPolarHBondContact O-CG 3.18Å; Q398-Q402 PolarHBondContact O-N 3.3Å
399	V	94.3	Very high	93.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177.4	-178.3	0	0	0	0	111.6	V371 L375 W390 F395 R396 Q401 Q402 V403 V406	V371-V399 HydrophobicContact CG1-CG2 3.92Å; L375-V399 HydrophobicContact CD1-CG1 4.41Å; L375-V399 HydrophobicContact CD1-CG2 4.03Å; L375-V399 HydrophobicContact CD2-CG1 3.91Å; W390-V399 HydrophobicContact CD2-CG1 3.97Å; W390-V399 HydrophobicContact CE3-CG1 4.33Å; W390-V399 HydrophobicContact CG-CG1 4.3Å; W390-V399 HydrophobicContact CH2-CG2 4.37Å; W390-V399 HydrophobicContact CZ2-CG1 4.42Å; W390-V399 HydrophobicContact CZ2-CG2 3.73Å; F395-V399 WeakPolarHBondContact O-CG2 3.42Å; F395-V399 PolarHBondContact O-N 2.74Å; R396-V399 WeakPolarHBondContact O-CB 3.48Å; R396-V399 PolarHBondContact O-N 3.05Å; R396-V399 VanDerWaalsContact O-N 3.17Å; V399-Q401 VanDerWaalsContact C-N 3.26Å; V399-Q401 PolarHBondContact O-N 3.1Å; V399-Q402 PolarHBondContact O-N 3.32Å; V399-V403 CarbonylContact O-C 3.58Å; V399-V403 PolarHBondContact O-N 2.91Å; V399-V406 HydrophobicContact CG1-CG2 4.03Å
400	K	93.2	Very high	93.2	Very high	40 Å²	40	44.1 Å²	44.1	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-38.5	176.1	-73.6	175.1	-179.8	168.2	0	112.4	R396 E397 Q398 P404 Q408 E420	R396-K400 WeakPolarHBondContact O-CG 2.98Å; R396-K400 PolarHBondContact O-N 3.33Å; E397-K400 IonicContact OE1-NZ 2.71Å; E397-K400 PolarHBondContact OE1-NZ 2.89Å; E397-K400 IonicContact OE2-NZ 3.24Å; Q398-K400 PolarHBondContact O-N 3.26Å; K400-P404 WeakPolarHBondContact O-CA 3.49Å; K400-P404 WeakPolarHBondContact O-CB 3.21Å; K400-Q408 HydrophobicContact CG-CG 4.12Å; K400-E420 IonicContact NZ-OE1 3.9Å; K400-E420 IonicContact NZ-OE2 2.66Å; K400-E420 PolarHBondContact NZ-OE2 2.85Å
401	Q	92.9	Very high	93.1	Very high	154 Å²	154	46 Å²	46	72%	0.72	25%	0.249	S	C	*	.	H	α-helix	trans	-72.9	-42.2	179.4	-71.8	173.6	8.7	0	0	112.2	E397 Q398 V399	E397-Q401 VanDerWaalsContact O-CG 3.27Å; E397-Q401 WeakPolarHBondContact O-CG 3.33Å; E397-Q401 PolarHBondContact O-N 2.92Å; Q398-Q401 PolarHBondContact O-N 3.1Å; V399-Q401 VanDerWaalsContact C-N 3.26Å; V399-Q401 PolarHBondContact O-N 3.1Å
402	Q	92.5	Very high	92.9	Very high	121 Å²	121	49 Å²	49	57%	0.565	26%	0.259	S	S	*	.	H	α-helix	trans	-78.5	-39.6	-176.6	-69.9	178.3	1	0	0	112.7	Q398 V399	Q398-Q402 WeakPolarHBondContact O-CB 3.49Å; Q398-Q402 WeakPolarHBondContact O-CG 3.18Å; Q398-Q402 PolarHBondContact O-N 3.3Å; V399-Q402 PolarHBondContact O-N 3.32Å
403	V	93.4	Very high	92.8	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	27%	0.273	C	S	.	.			trans	-135.2	68.9	-173.3	-162.3	0	0	0	0	110.1	L375 L379 L385 V399 G405 V406	L375-V403 HydrophobicContact CD2-CG2 4.17Å; L379-V403 HydrophobicContact CD1-CG2 4.25Å; L379-V403 HydrophobicContact CD2-CG1 4.06Å; L379-V403 HydrophobicContact CD2-CG2 4.26Å; L385-V403 HydrophobicContact CD1-CG1 3.71Å; L385-V403 HydrophobicContact CD2-CG1 3.94Å; L385-V403 HydrophobicContact CG-CG1 4.39Å; V399-V403 CarbonylContact O-C 3.58Å; V399-V403 PolarHBondContact O-N 2.91Å; V403-G405 PolarHBondContact O-N 3.48Å; V403-V406 HydrophobicContact CB-CG1 4.35Å; V403-V406 HydrophobicContact CG1-CG1 3.72Å; V403-V406 WeakPolarHBondContact O-CG2 3.27Å; V403-V406 PolarHBondContact O-N 3Å
404	P	90.6	Very high	92.7	Very high	107 Å²	107	53.6 Å²	53.6	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.4	-176.2	26.6	-35.9	0	0	0	114.1	K400	K400-P404 WeakPolarHBondContact O-CA 3.49Å; K400-P404 WeakPolarHBondContact O-CB 3.21Å
405	G	92.3	Very high	92.6	Very high	23 Å²	23	57.3 Å²	57.3	24%	0.237	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.5	178.6	0	0	0	0	0	115.1	L385 Q386 V403	L385-G405 CarbonylContact C-O 3.5Å; L385-G405 VanDerWaalsContact C-O 3.23Å; Q386-G405 PolarHBondContact N-O 3.32Å; V403-G405 PolarHBondContact O-N 3.48Å
406	V	94.7	Very high	91.8	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.048	32%	0.316	C	S	.	.	S	Bend	trans	-78.9	140.4	178.8	-53.5	0	0	0	0	111.3	L385 I388 W390 V399 V403	L385-V406 HydrophobicContact CD2-CG1 4.39Å; L385-V406 WeakPolarHBondContact O-CA 3.28Å; I388-V406 HydrophobicContact CB-CB 4.15Å; I388-V406 HydrophobicContact CB-CG1 3.91Å; I388-V406 HydrophobicContact CG1-CG1 4.46Å; I388-V406 HydrophobicContact CG2-CB 4.09Å; I388-V406 HydrophobicContact CG2-CG1 3.89Å; W390-V406 HydrophobicContact CB-CB 4.44Å; W390-V406 HydrophobicContact CB-CG2 3.96Å; W390-V406 HydrophobicContact CG-CG2 4.5Å; V399-V406 HydrophobicContact CG1-CG2 4.03Å; V403-V406 HydrophobicContact CB-CG1 4.35Å; V403-V406 HydrophobicContact CG1-CG1 3.72Å; V403-V406 WeakPolarHBondContact O-CG2 3.27Å; V403-V406 PolarHBondContact O-N 3Å
407	Q	95.3	Very high	91.2	Very high	67 Å²	67	72.3 Å²	72.3	31%	0.313	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.1	179.5	-58.3	-165.7	-8.8	0	0	110.5	Q386 I388 L389 W390	Q386-Q407 VanDerWaalsContact O-CD 3.31Å; Q386-Q407 PolarHBondContact O-NE2 2.79Å; I388-Q407 PolarHBondContact O-N 2.83Å; L389-Q407 CarbonylContact C-O 3.58Å; L389-Q407 WeakPolarHBondContact CA-O 3.42Å; L389-Q407 HydrophobicContact CD2-CB 3.64Å; L389-Q407 HydrophobicContact CD2-CG 4.14Å; W390-Q407 PolarHBondContact N-O 3.33Å
408	Q	94.6	Very high	90.5	Very high	27 Å²	27	70 Å²	70	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.1	-178.4	-61.3	-64	-43.3	0	0	110.7	R396 K400 Y410	R396-Q408 VanDerWaalsContact CG-OE1 3.27Å; K400-Q408 HydrophobicContact CG-CG 4.12Å; Q408-Y410 HydrophobicContact CB-CE2 3.85Å
409	V	95.7	Very high	89.4	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.024	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135	173.8	-173.3	0	0	0	0	109.2	M356 L389 W390 L391 R396 H424 N426	M356-V409 HydrophobicContact SD-CG1 4.09Å; M356-V409 HydrophobicContact SD-CG2 4.49Å; L389-V409 HydrophobicContact CB-CG2 3.76Å; L389-V409 HydrophobicContact CD2-CG2 4.42Å; L389-V409 HydrophobicContact CG-CG2 4.45Å; W390-V409 PolarHBondContact O-N 2.87Å; L391-V409 HydrophobicContact CD1-CB 4.19Å; L391-V409 HydrophobicContact CD1-CG1 3.9Å; R396-V409 VanDerWaalsContact CZ-O 3.31Å; R396-V409 PolarHBondContact NH1-O 3.27Å; R396-V409 PolarHBondContact NH2-O 3.44Å; V409-H424 HydrophobicContact CB-CB 4.28Å; V409-H424 HydrophobicContact CG1-CB 4.18Å; V409-H424 HydrophobicContact CG2-CB 3.88Å; V409-N426 HydrophobicContact CG1-CB 3.6Å
410	Y	94.6	Very high	88.4	Confident	9 Å²	9	80.7 Å²	80.7	4%	0.035	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.3	-173.2	-67	-98.4	0	0	0	111.4	R396 Q408 R412 L422 H424 V425 N426	R396-Y410 VanDerWaalsContact NH1-CD1 3.34Å; R396-Y410 VanDerWaalsContact NH1-CE1 3.31Å; Q408-Y410 HydrophobicContact CB-CE2 3.85Å; Y410-R412 PolarHBondContact O-N 3.4Å; Y410-L422 HydrophobicContact CD2-CD1 4.3Å; Y410-L422 HydrophobicContact CD2-CG 3.98Å; Y410-L422 HydrophobicContact CG-CD1 4.07Å; Y410-L422 HydrophobicContact CG-CG 4.27Å; Y410-H424 WeakPolarHBondContact CD2-O 3.32Å; Y410-H424 PolarHBondContact N-O 3.4Å; Y410-V425 WeakPolarHBondContact O-CA 3.48Å; Y410-N426 PolarHBondContact O-N 3.25Å
411	G	93.8	Very high	87.6	Confident	39 Å²	39	83.4 Å²	83.4	40%	0.402	41%	0.411	S	S	.	.	S	Bend	trans	-74	18.8	172.4	0	0	0	0	0	114.4	N426 L427	G411-N426 WeakPolarHBondContact CA-O 3.32Å; G411-L427 WeakPolarHBondContact O-CD2 3.3Å
412	R	92.6	Very high	87.3	Confident	71 Å²	71	76.2 Å²	76.2	27%	0.268	38%	0.377	S	S	.	.	S	Bend	trans	-148	161	-172.5	62.2	170.9	177.3	78.8	-1.2	112.5	Y410 E418	Y410-R412 PolarHBondContact O-N 3.4Å; R412-E418 IonicContact CZ-OE1 2.96Å; R412-E418 VanDerWaalsContact CZ-OE1 3.29Å; R412-E418 IonicContact CZ-OE2 2.68Å; R412-E418 VanDerWaalsContact NH1-CD 3.3Å; R412-E418 IonicContact NH1-OE1 3.62Å; R412-E418 PolarHBondContact NH1-OE1 3.07Å; R412-E418 IonicContact NH1-OE2 2.8Å; R412-E418 PolarHBondContact NH1-OE2 3.35Å; R412-E418 IonicContact NH2-OE1 2.8Å; R412-E418 PolarHBondContact NH2-OE1 2.98Å; R412-E418 IonicContact NH2-OE2 3.8Å
413	K	92.3	Very high	87.2	Confident	71 Å²	71	75 Å²	75	31%	0.309	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.1	158.2	169.5	-64.4	-175.8	-179.7	-173.7	0	111.5	L415 L427 D431 E436	K413-L415 PolarHBondContact O-N 3.32Å; K413-L427 HydrophobicContact CG-CD1 3.83Å; K413-D431 WeakPolarHBondContact CE-O 3.49Å; K413-D431 PolarHBondContact NZ-O 3.25Å; K413-E436 IonicContact NZ-OE1 3.74Å; K413-E436 PolarHBondContact NZ-OE1 3.32Å; K413-E436 IonicContact NZ-OE2 3.74Å; K413-E436 PolarHBondContact NZ-OE2 2.86Å
414	R	86.9	Confident	87.3	Confident	99 Å²	99	77 Å²	77	37%	0.374	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-55.3	128.1	169.7	-176.5	-178.1	-79	163.6	-0.3	110.2	L422 Y440 D443	R414-L422 HydrophobicContact CB-CD1 4.38Å; R414-Y440 PolarHBondContact N-OH 3.12Å; R414-D443 IonicContact CZ-OD2 2.74Å; R414-D443 IonicContact NH1-OD2 3.87Å; R414-D443 PolarHBondContact NH1-OD2 3.28Å
415	L	85.8	Confident	87.6	Confident	104 Å²	104	72 Å²	72	55%	0.545	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-80.8	146.4	174.6	-58.1	169	0	0	0	109.8	K413 N417 E418	K413-L415 PolarHBondContact O-N 3.32Å; L415-N417 PolarHBondContact O-N 2.89Å; L415-E418 HydrophobicContact CB-CB 4.14Å; L415-E418 PolarHBondContact N-OE2 2.99Å; L415-E418 WeakPolarHBondContact O-CB 3.49Å; L415-E418 PolarHBondContact O-N 3.48Å; L415-E418 VanDerWaalsContact O-N 3.1Å
416	R	76.6	Confident	87.9	Confident	250 Å²	250	71.2 Å²	71.2	94%	0.943	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.7	-175.7	-76.1	-174.5	-179.8	-175	0.2	114.4
417	N	79.2	Confident	88	Confident	155 Å²	155	71.1 Å²	71.1	83%	0.829	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	15.7	-175.5	-62.7	-14.7	0	0	0	112.8	L415 K419	L415-N417 PolarHBondContact O-N 2.89Å; N417-K419 PolarHBondContact O-N 3.33Å
418	E	76.9	Confident	88	Confident	44 Å²	44	69.4 Å²	69.4	21%	0.206	33%	0.334	C	S	.	.			trans	-74.4	116.7	-178.4	-164.5	160.8	-158.6	0	0	110.5	R412 L415	R412-E418 IonicContact CZ-OE1 2.96Å; R412-E418 VanDerWaalsContact CZ-OE1 3.29Å; R412-E418 IonicContact CZ-OE2 2.68Å; R412-E418 VanDerWaalsContact NH1-CD 3.3Å; R412-E418 IonicContact NH1-OE1 3.62Å; R412-E418 PolarHBondContact NH1-OE1 3.07Å; R412-E418 IonicContact NH1-OE2 2.8Å; R412-E418 PolarHBondContact NH1-OE2 3.35Å; R412-E418 IonicContact NH2-OE1 2.8Å; R412-E418 PolarHBondContact NH2-OE1 2.98Å; R412-E418 IonicContact NH2-OE2 3.8Å; L415-E418 HydrophobicContact CB-CB 4.14Å; L415-E418 PolarHBondContact N-OE2 2.99Å; L415-E418 WeakPolarHBondContact O-CB 3.49Å; L415-E418 PolarHBondContact O-N 3.48Å; L415-E418 VanDerWaalsContact O-N 3.1Å
419	K	69.9	Low	88.1	Confident	208 Å²	208	68.1 Å²	68.1	90%	0.904	33%	0.328	S	S	*	.			trans	-85.2	-22.5	178.2	-68	-174.1	179	-178.8	0	112.8	N417	N417-K419 PolarHBondContact O-N 3.33Å
420	E	72.6	Confident	88	Confident	87 Å²	87	69 Å²	69	41%	0.407	33%	0.332	S	S	.	.	S	Bend	trans	-79.2	140.9	-179.8	-67.3	-162.6	161.2	0	0	111.7	K400 L422	K400-E420 IonicContact NZ-OE1 3.9Å; K400-E420 IonicContact NZ-OE2 2.66Å; K400-E420 PolarHBondContact NZ-OE2 2.85Å; E420-L422 PolarHBondContact O-N 3.2Å; E420-L422 VanDerWaalsContact O-N 3.09Å
421	P	77.3	Confident	88	Confident	98 Å²	98	71.6 Å²	71.6	64%	0.636	35%	0.347	S	S	*	.			trans	-69.6	108.9	177	28.4	-32.5	0	0	0	109.9	L423	P421-L423 HydrophobicContact CB-CD2 4.44Å; P421-L423 PolarHBondContact O-N 2.92Å
422	L	85.2	Confident	88	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	33%	0.33	C	S	.	.			trans	-79	109.2	168.8	177.6	155.5	0	0	0	108.4	Y410 R414 E420 V425 Y440 V445	Y410-L422 HydrophobicContact CD2-CD1 4.3Å; Y410-L422 HydrophobicContact CD2-CG 3.98Å; Y410-L422 HydrophobicContact CG-CD1 4.07Å; Y410-L422 HydrophobicContact CG-CG 4.27Å; R414-L422 HydrophobicContact CB-CD1 4.38Å; E420-L422 PolarHBondContact O-N 3.2Å; E420-L422 VanDerWaalsContact O-N 3.09Å; L422-V425 HydrophobicContact CD1-CG1 4Å; L422-V425 HydrophobicContact CD2-CG1 3.21Å; L422-V425 HydrophobicContact CG-CG1 3.98Å; L422-Y440 HydrophobicContact CD2-CE1 4.2Å; L422-V445 HydrophobicContact CD2-CG1 3.39Å; L422-V445 HydrophobicContact CD2-CG2 4.5Å; L422-V445 VanDerWaalsContact O-CG2 3.23Å; L422-V445 WeakPolarHBondContact O-CG2 3.43Å
423	L	91.3	Very high	88.1	Confident	97 Å²	97	69.3 Å²	69.3	51%	0.508	34%	0.335	S	S	.	.			trans	-96.9	-32.9	-173.3	-65.2	177.4	0	0	0	113.6	P421 V445 S446	P421-L423 HydrophobicContact CB-CD2 4.44Å; P421-L423 PolarHBondContact O-N 2.92Å; L423-V445 CarbonylContact O-C 3.48Å; L423-V445 WeakPolarHBondContact O-CA 3.42Å; L423-S446 PolarHBondContact O-N 3.29Å
424	H	95.5	Very high	88.2	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.222	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.2	-178.1	-54.1	-90.7	0	0	0	110.4	V409 Y410 S446	V409-H424 HydrophobicContact CB-CB 4.28Å; V409-H424 HydrophobicContact CG1-CB 4.18Å; V409-H424 HydrophobicContact CG2-CB 3.88Å; Y410-H424 WeakPolarHBondContact CD2-O 3.32Å; Y410-H424 PolarHBondContact N-O 3.4Å; H424-S446 CarbonylContact C-O 3.54Å; H424-S446 WeakPolarHBondContact CA-O 3.38Å; H424-S446 VanDerWaalsContact ND1-CB 3.33Å; H424-S446 WeakPolarHBondContact ND1-CB 3.15Å
425	V	96.9	Very high	88.6	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.2	171.2	-61.7	0	0	0	0	111.2	Y410 L422 L427 M432 Y440 V445 S446 V447 N448	Y410-V425 WeakPolarHBondContact O-CA 3.48Å; L422-V425 HydrophobicContact CD1-CG1 4Å; L422-V425 HydrophobicContact CD2-CG1 3.21Å; L422-V425 HydrophobicContact CG-CG1 3.98Å; V425-L427 HydrophobicContact CB-CG 4.5Å; V425-M432 HydrophobicContact CG2-CE 4.1Å; V425-Y440 HydrophobicContact CG1-CD1 4.46Å; V425-Y440 HydrophobicContact CG1-CE1 3.96Å; V425-Y440 HydrophobicContact CG2-CD1 4.13Å; V425-Y440 HydrophobicContact CG2-CE1 4.23Å; V425-V445 HydrophobicContact CG1-CG1 4.41Å; V425-S446 PolarHBondContact N-O 3.4Å; V425-V447 HydrophobicContact CG2-CB 4.09Å; V425-V447 HydrophobicContact CG2-CG1 3.99Å; V425-V447 HydrophobicContact CG2-CG2 3.88Å; V425-N448 WeakPolarHBondContact O-CB 3.42Å; V425-N448 PolarHBondContact O-N 3.14Å
426	N	97.6	Very high	89.1	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.032	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.9	173.8	-178.8	53.7	0	0	0	108.3	M356 L391 V409 Y410 G411 N448 Y450	M356-N426 HydrophobicContact SD-CB 4.32Å; L391-N426 HydrophobicContact CD1-CB 3.75Å; L391-N426 WeakPolarHBondContact CD2-ND2 3.35Å; V409-N426 HydrophobicContact CG1-CB 3.6Å; Y410-N426 PolarHBondContact O-N 3.25Å; G411-N426 WeakPolarHBondContact CA-O 3.32Å; N426-N448 WeakPolarHBondContact CA-O 3.3Å; N426-N448 PolarHBondContact OD1-ND2 3.42Å; N426-Y450 VanDerWaalsContact ND2-CE1 3.34Å; N426-Y450 WeakPolarHBondContact ND2-CE1 3.43Å; N426-Y450 VanDerWaalsContact OD1-CD1 3.26Å; N426-Y450 WeakPolarHBondContact OD1-CD1 3.45Å
427	L	97	Very high	90	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.4	-172.6	-68.4	174.4	0	0	0	112.4	G411 K413 V425 Y429 M432 N448 L449 Y450	G411-L427 WeakPolarHBondContact O-CD2 3.3Å; K413-L427 HydrophobicContact CG-CD1 3.83Å; V425-L427 HydrophobicContact CB-CG 4.5Å; L427-Y429 PolarHBondContact O-N 3Å; L427-M432 HydrophobicContact CD1-CE 3.57Å; L427-N448 PolarHBondContact N-O 2.89Å; L427-L449 HydrophobicContact CB-CD2 4.04Å; L427-L449 CarbonylContact O-C 3.06Å; L427-L449 VanDerWaalsContact O-CA 3.25Å; L427-L449 WeakPolarHBondContact O-CA 3.45Å; L427-Y450 VanDerWaalsContact C-CD1 3.42Å; L427-Y450 WeakPolarHBondContact O-CD1 3.47Å; L427-Y450 PolarHBondContact O-N 3.4Å
428	P	96	Very high	90.8	Very high	31 Å²	31	49.1 Å²	49.1	20%	0.201	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	138.7	164.1	-22.6	34.1	0	0	0	110.5	Q430 D431 Y450	P428-Q430 PolarHBondContact O-N 3.24Å; P428-Q430 VanDerWaalsContact O-N 3.11Å; P428-D431 PolarHBondContact O-N 3.29Å; P428-Y450 WeakPolarHBondContact CA-O 3.44Å; P428-Y450 HydrophobicContact CG-CE2 4.16Å
429	Y	95.7	Very high	91.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.5	-178.4	73.7	-94.7	0	0	0	112.9	N66 D67 S151 I154 L427 D431 Y450 L457	N66-Y429 VanDerWaalsContact ND2-CE1 3.29Å; N66-Y429 WeakPolarHBondContact ND2-CE1 3.44Å; D67-Y429 WeakPolarHBondContact OD2-CE1 3.18Å; D67-Y429 PolarHBondContact OD2-OH 2.95Å; S151-Y429 PolarHBondContact OG-OH 3.14Å; I154-Y429 HydrophobicContact CD1-CD2 3.81Å; I154-Y429 HydrophobicContact CD1-CE2 4.14Å; L427-Y429 PolarHBondContact O-N 3Å; Y429-D431 VanDerWaalsContact C-N 3.25Å; Y429-D431 PolarHBondContact O-N 2.93Å; Y429-Y450 PolarHBondContact N-O 3.49Å; Y429-L457 HydrophobicContact CD1-CD2 4.12Å; Y429-L457 HydrophobicContact CD2-CD1 3.98Å; Y429-L457 HydrophobicContact CD2-CD2 3.85Å; Y429-L457 HydrophobicContact CE1-CD2 4.06Å; Y429-L457 HydrophobicContact CE2-CD1 4.19Å; Y429-L457 HydrophobicContact CE2-CD2 3.79Å; Y429-L457 HydrophobicContact CG-CD2 4.01Å
430	Q	94.1	Very high	92.9	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.112	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-74	-14.3	177.2	-58	90.4	-22.6	0	0	113.4	R150 P428	R150-Q430 HydrophobicContact CB-CB 4.04Å; R150-Q430 HydrophobicContact CB-CG 4.45Å; R150-Q430 WeakPolarHBondContact CD-O 3.46Å; R150-Q430 PolarHBondContact NH1-O 3.3Å; P428-Q430 PolarHBondContact O-N 3.24Å; P428-Q430 VanDerWaalsContact O-N 3.11Å
431	D	94.6	Very high	93.9	Very high	63 Å²	63	42.2 Å²	42.2	34%	0.337	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-93.3	-13.5	-173.8	-77.7	-19.6	0	0	0	113.4	R150 K413 P428 Y429	R150-D431 IonicContact CZ-OD1 3.26Å; R150-D431 IonicContact NH1-OD1 3.68Å; R150-D431 PolarHBondContact NH1-OD1 3.37Å; K413-D431 WeakPolarHBondContact CE-O 3.49Å; K413-D431 PolarHBondContact NZ-O 3.25Å; P428-D431 PolarHBondContact O-N 3.29Å; Y429-D431 VanDerWaalsContact C-N 3.25Å; Y429-D431 PolarHBondContact O-N 2.93Å
432	M	93.8	Very high	94.7	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.039	21%	0.209	C	C	.	.			trans	-122.5	128.3	-179	-162.2	177	-82.8	0	0	112.4	V425 L427 E436 I437 Y440 V447 L449	V425-M432 HydrophobicContact CG2-CE 4.1Å; L427-M432 HydrophobicContact CD1-CE 3.57Å; M432-E436 HydrophobicContact CG-CB 3.64Å; M432-E436 HydrophobicContact SD-CB 4.44Å; M432-I437 HydrophobicContact CB-CG1 4.35Å; M432-I437 HydrophobicContact CG-CG1 3.75Å; M432-I437 HydrophobicContact SD-CB 4.36Å; M432-I437 HydrophobicContact SD-CG1 3.55Å; M432-I437 VanDerWaalsContact SD-CG1 3.55Å; M432-Y440 HydrophobicContact CE-CD1 4.06Å; M432-Y440 HydrophobicContact CE-CD2 4.44Å; M432-Y440 HydrophobicContact CE-CE1 3.97Å; M432-Y440 HydrophobicContact CE-CE2 4.34Å; M432-Y440 HydrophobicContact CE-CG 4.31Å; M432-V447 HydrophobicContact CE-CG1 4.14Å; M432-V447 HydrophobicContact CE-CG2 4.43Å; M432-V447 HydrophobicContact SD-CG1 3.59Å; M432-V447 VanDerWaalsContact SD-CG1 3.59Å; M432-V447 HydrophobicContact SD-CG2 4.12Å; M432-L449 HydrophobicContact CB-CD2 4.22Å
433	S	94.9	Very high	95.1	Very high	54 Å²	54	47.3 Å²	47.3	38%	0.378	23%	0.225	S	C	.	.			trans	-79.8	157.4	174.9	65.7	0	0	0	0	112.3	E435 E436 I437	S433-E435 PolarHBondContact O-N 3.02Å; S433-E436 WeakPolarHBondContact CB-OE2 3.39Å; S433-E436 PolarHBondContact N-OE2 3.4Å; S433-E436 WeakPolarHBondContact O-CB 3.49Å; S433-E436 PolarHBondContact O-N 2.95Å; S433-E436 VanDerWaalsContact OG-CG 3.27Å; S433-E436 WeakPolarHBondContact OG-CG 3.41Å; S433-E436 PolarHBondContact OG-N 3.25Å; S433-E436 PolarHBondContact OG-OE2 3.38Å; S433-I437 WeakPolarHBondContact O-CG1 3.29Å; S433-I437 PolarHBondContact O-N 3.31Å
434	S	95.1	Very high	95.2	Very high	17 Å²	17	49.4 Å²	49.4	12%	0.119	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-32.6	177.8	-53.7	0	0	0	0	113.7	Q157 R438	Q157-S434 PolarHBondContact OE1-OG 3.48Å; S434-R438 WeakPolarHBondContact O-CG 3.42Å; S434-R438 PolarHBondContact O-N 3.12Å
435	E	94.4	Very high	95.2	Very high	106 Å²	106	47.3 Å²	47.3	50%	0.495	23%	0.227	S	C	.	.	H	α-helix	trans	-74.8	-39.6	175.7	-173.1	55.9	-146.4	0	0	111.8	S433 I437 R438 Q439 R442	S433-E435 PolarHBondContact O-N 3.02Å; E435-I437 VanDerWaalsContact C-N 3.32Å; E435-I437 PolarHBondContact O-N 2.88Å; E435-R438 PolarHBondContact O-N 3.34Å; E435-Q439 WeakPolarHBondContact O-CB 3.24Å; E435-Q439 PolarHBondContact O-N 2.95Å; E435-R442 IonicContact OE1-CZ 3.74Å; E435-R442 IonicContact OE1-NH1 3.3Å; E435-R442 PolarHBondContact OE1-NH1 3.22Å; E435-R442 IonicContact OE1-NH2 2.78Å
436	E	95.4	Very high	95.2	Very high	63 Å²	63	49 Å²	49	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41.6	173.9	-72.4	168.4	123.2	0	0	111.2	K413 M432 S433 R438 Q439 Y440	K413-E436 IonicContact NZ-OE1 3.74Å; K413-E436 PolarHBondContact NZ-OE1 3.32Å; K413-E436 IonicContact NZ-OE2 3.74Å; K413-E436 PolarHBondContact NZ-OE2 2.86Å; M432-E436 HydrophobicContact CG-CB 3.64Å; M432-E436 HydrophobicContact SD-CB 4.44Å; S433-E436 WeakPolarHBondContact CB-OE2 3.39Å; S433-E436 PolarHBondContact N-OE2 3.4Å; S433-E436 WeakPolarHBondContact O-CB 3.49Å; S433-E436 PolarHBondContact O-N 2.95Å; S433-E436 VanDerWaalsContact OG-CG 3.27Å; S433-E436 WeakPolarHBondContact OG-CG 3.41Å; S433-E436 PolarHBondContact OG-N 3.25Å; S433-E436 PolarHBondContact OG-OE2 3.38Å; E436-R438 VanDerWaalsContact C-N 3.34Å; E436-R438 PolarHBondContact O-N 3.49Å; E436-Q439 PolarHBondContact O-N 2.85Å; E436-Q439 VanDerWaalsContact O-N 3.17Å; E436-Y440 WeakPolarHBondContact O-CD2 3.32Å; E436-Y440 PolarHBondContact O-N 3.49Å
437	I	97.1	Very high	95.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-48.8	175.1	-64.6	168.3	0	0	0	110.2	M432 S433 E435 Q439 Y440 R441 L449 L461 A464 V466	M432-I437 HydrophobicContact CB-CG1 4.35Å; M432-I437 HydrophobicContact CG-CG1 3.75Å; M432-I437 HydrophobicContact SD-CB 4.36Å; M432-I437 HydrophobicContact SD-CG1 3.55Å; M432-I437 VanDerWaalsContact SD-CG1 3.55Å; S433-I437 WeakPolarHBondContact O-CG1 3.29Å; S433-I437 PolarHBondContact O-N 3.31Å; E435-I437 VanDerWaalsContact C-N 3.32Å; E435-I437 PolarHBondContact O-N 2.88Å; I437-Q439 VanDerWaalsContact C-N 3.31Å; I437-Q439 PolarHBondContact O-N 3.01Å; I437-Y440 PolarHBondContact O-N 2.84Å; I437-R441 WeakPolarHBondContact O-CB 3.26Å; I437-R441 PolarHBondContact O-N 2.78Å; I437-L449 HydrophobicContact CD1-CD1 3.83Å; I437-L449 HydrophobicContact CG1-CD1 4.47Å; I437-L461 HydrophobicContact CD1-CD2 4.03Å; I437-A464 HydrophobicContact CB-CB 4.36Å; I437-A464 HydrophobicContact CD1-CB 3.9Å; I437-A464 HydrophobicContact CG2-CB 4.25Å; I437-A464 WeakPolarHBondContact CG2-O 3.47Å; I437-V466 HydrophobicContact CG2-CB 4.15Å
438	R	95.6	Very high	95.3	Very high	67 Å²	67	48.9 Å²	48.9	25%	0.253	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-40.7	177.5	-70.7	177.4	-166.6	-93.6	0.1	111.7	P215 M218 S434 E435 E436 R441 R442 C463 A464	P215-R438 PolarHBondContact O-NH2 2.79Å; P215-R438 VanDerWaalsContact O-NH2 3.16Å; M218-R438 VanDerWaalsContact CE-NH2 3.32Å; S434-R438 WeakPolarHBondContact O-CG 3.42Å; S434-R438 PolarHBondContact O-N 3.12Å; E435-R438 PolarHBondContact O-N 3.34Å; E436-R438 VanDerWaalsContact C-N 3.34Å; E436-R438 PolarHBondContact O-N 3.49Å; R438-R441 PolarHBondContact O-N 3.04Å; R438-R442 WeakPolarHBondContact O-CG 3.37Å; R438-R442 PolarHBondContact O-N 3.49Å; R438-C463 PolarHBondContact NH2-O 3.49Å; R438-C463 VanDerWaalsContact NH2-O 3.11Å; R438-A464 VanDerWaalsContact CG-O 3.23Å; R438-A464 WeakPolarHBondContact CG-O 3.33Å
439	Q	95.1	Very high	95.4	Very high	79 Å²	79	47.4 Å²	47.4	37%	0.369	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-46.6	178.5	-173.6	58.2	35	0	0	111.8	E435 E436 I437 R441 R442 D443	E435-Q439 WeakPolarHBondContact O-CB 3.24Å; E435-Q439 PolarHBondContact O-N 2.95Å; E436-Q439 PolarHBondContact O-N 2.85Å; E436-Q439 VanDerWaalsContact O-N 3.17Å; I437-Q439 VanDerWaalsContact C-N 3.31Å; I437-Q439 PolarHBondContact O-N 3.01Å; Q439-R441 VanDerWaalsContact C-N 3.27Å; Q439-R441 PolarHBondContact O-N 3.35Å; Q439-R442 WeakPolarHBondContact O-CB 3.38Å; Q439-R442 PolarHBondContact O-N 2.88Å; Q439-R442 VanDerWaalsContact O-N 3.14Å; Q439-D443 PolarHBondContact NE2-OD1 3.09Å; Q439-D443 PolarHBondContact O-N 3.38Å
440	Y	95.3	Very high	95.5	Very high	22 Å²	22	51.2 Å²	51.2	9%	0.086	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-41.7	177.6	-87	-122.9	0	0	0	111	R414 L422 V425 M432 E436 I437 R442 D443 N444 V445 V447	R414-Y440 PolarHBondContact N-OH 3.12Å; L422-Y440 HydrophobicContact CD2-CE1 4.2Å; V425-Y440 HydrophobicContact CG1-CD1 4.46Å; V425-Y440 HydrophobicContact CG1-CE1 3.96Å; V425-Y440 HydrophobicContact CG2-CD1 4.13Å; V425-Y440 HydrophobicContact CG2-CE1 4.23Å; M432-Y440 HydrophobicContact CE-CD1 4.06Å; M432-Y440 HydrophobicContact CE-CD2 4.44Å; M432-Y440 HydrophobicContact CE-CE1 3.97Å; M432-Y440 HydrophobicContact CE-CE2 4.34Å; M432-Y440 HydrophobicContact CE-CG 4.31Å; E436-Y440 WeakPolarHBondContact O-CD2 3.32Å; E436-Y440 PolarHBondContact O-N 3.49Å; I437-Y440 PolarHBondContact O-N 2.84Å; Y440-R442 PolarHBondContact O-N 3.15Å; Y440-D443 CarbonylContact O-C 3.46Å; Y440-D443 PolarHBondContact O-N 3.41Å; Y440-D443 VanDerWaalsContact O-N 3.16Å; Y440-N444 PolarHBondContact O-N 3.3Å; Y440-V445 HydrophobicContact CD1-CB 3.9Å; Y440-V445 HydrophobicContact CD1-CG1 3.59Å; Y440-V445 HydrophobicContact CD1-CG2 4.49Å; Y440-V445 HydrophobicContact CE1-CG1 4.22Å; Y440-V445 HydrophobicContact CG-CB 4.36Å; Y440-V445 HydrophobicContact CG-CG1 4.49Å; Y440-V445 WeakPolarHBondContact O-CB 3.47Å; Y440-V445 PolarHBondContact O-N 2.89Å; Y440-V447 HydrophobicContact CD1-CG2 3.93Å; Y440-V447 HydrophobicContact CG-CG2 4.04Å
441	R	93.6	Very high	95.5	Very high	93 Å²	93	50.7 Å²	50.7	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-43.4	174.7	-173.3	-172.5	-178.7	109.2	9.6	112.8	I437 R438 Q439 D443 N444 G465	I437-R441 WeakPolarHBondContact O-CB 3.26Å; I437-R441 PolarHBondContact O-N 2.78Å; R438-R441 PolarHBondContact O-N 3.04Å; Q439-R441 VanDerWaalsContact C-N 3.27Å; Q439-R441 PolarHBondContact O-N 3.35Å; R441-D443 PolarHBondContact O-N 3.45Å; R441-N444 PolarHBondContact O-N 3.5Å; R441-N444 VanDerWaalsContact O-N 3.1Å; R441-G465 WeakPolarHBondContact CD-O 3.27Å; R441-G465 PolarHBondContact NH1-O 3.24Å
442	R	94.2	Very high	95.7	Very high	144 Å²	144	47.7 Å²	47.7	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-34.3	174.9	-71.2	173.6	-166.1	129.9	1.7	111.7	E435 R438 Q439 Y440 N444	E435-R442 IonicContact OE1-CZ 3.74Å; E435-R442 IonicContact OE1-NH1 3.3Å; E435-R442 PolarHBondContact OE1-NH1 3.22Å; E435-R442 IonicContact OE1-NH2 2.78Å; R438-R442 WeakPolarHBondContact O-CG 3.37Å; R438-R442 PolarHBondContact O-N 3.49Å; Q439-R442 WeakPolarHBondContact O-CB 3.38Å; Q439-R442 PolarHBondContact O-N 2.88Å; Q439-R442 VanDerWaalsContact O-N 3.14Å; Y440-R442 PolarHBondContact O-N 3.15Å; R442-N444 PolarHBondContact O-N 3.11Å
443	D	93	Very high	95.8	Very high	63 Å²	63	47.8 Å²	47.8	34%	0.337	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	7.9	176.9	-68.8	9.2	0	0	0	113.1	R414 Q439 Y440 R441 V445	R414-D443 IonicContact CZ-OD2 2.74Å; R414-D443 IonicContact NH1-OD2 3.87Å; R414-D443 PolarHBondContact NH1-OD2 3.28Å; Q439-D443 PolarHBondContact NE2-OD1 3.09Å; Q439-D443 PolarHBondContact O-N 3.38Å; Y440-D443 CarbonylContact O-C 3.46Å; Y440-D443 PolarHBondContact O-N 3.41Å; Y440-D443 VanDerWaalsContact O-N 3.16Å; R441-D443 PolarHBondContact O-N 3.45Å; D443-V445 HydrophobicContact CB-CG2 3.98Å; D443-V445 PolarHBondContact O-N 3.32Å
444	N	94.3	Very high	95.8	Very high	142 Å²	142	47.9 Å²	47.9	76%	0.759	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	31.3	-174.7	-63	-46.2	0	0	0	114.2	Y440 R441 R442	Y440-N444 PolarHBondContact O-N 3.3Å; R441-N444 PolarHBondContact O-N 3.5Å; R441-N444 VanDerWaalsContact O-N 3.1Å; R442-N444 PolarHBondContact O-N 3.11Å
445	V	95.3	Very high	95.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	23%	0.225	C	C	.	.			trans	-94.2	123.9	173.5	-173.7	0	0	0	0	109.2	L422 L423 V425 Y440 D443 V447	L422-V445 HydrophobicContact CD2-CG1 3.39Å; L422-V445 HydrophobicContact CD2-CG2 4.5Å; L422-V445 VanDerWaalsContact O-CG2 3.23Å; L422-V445 WeakPolarHBondContact O-CG2 3.43Å; L423-V445 CarbonylContact O-C 3.48Å; L423-V445 WeakPolarHBondContact O-CA 3.42Å; V425-V445 HydrophobicContact CG1-CG1 4.41Å; Y440-V445 HydrophobicContact CD1-CB 3.9Å; Y440-V445 HydrophobicContact CD1-CG1 3.59Å; Y440-V445 HydrophobicContact CD1-CG2 4.49Å; Y440-V445 HydrophobicContact CE1-CG1 4.22Å; Y440-V445 HydrophobicContact CG-CB 4.36Å; Y440-V445 HydrophobicContact CG-CG1 4.49Å; Y440-V445 WeakPolarHBondContact O-CB 3.47Å; Y440-V445 PolarHBondContact O-N 2.89Å; D443-V445 HydrophobicContact CB-CG2 3.98Å; D443-V445 PolarHBondContact O-N 3.32Å; V445-V447 PolarHBondContact O-N 3.37Å
446	S	96.9	Very high	95.9	Very high	36 Å²	36	45.2 Å²	45.2	25%	0.252	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.9	174	-170	0	0	0	0	110.5	L423 H424 V425 S467	L423-S446 PolarHBondContact O-N 3.29Å; H424-S446 CarbonylContact C-O 3.54Å; H424-S446 WeakPolarHBondContact CA-O 3.38Å; H424-S446 VanDerWaalsContact ND1-CB 3.33Å; H424-S446 WeakPolarHBondContact ND1-CB 3.15Å; V425-S446 PolarHBondContact N-O 3.4Å; S446-S467 WeakPolarHBondContact CA-OG 3.35Å; S446-S467 WeakPolarHBondContact OG-CB 3.35Å
447	V	98.1	Very high	96	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	178.3	-178.2	0	0	0	0	109.3	V425 M432 Y440 V445 L449 V466 S467 S468	V425-V447 HydrophobicContact CG2-CB 4.09Å; V425-V447 HydrophobicContact CG2-CG1 3.99Å; V425-V447 HydrophobicContact CG2-CG2 3.88Å; M432-V447 HydrophobicContact CE-CG1 4.14Å; M432-V447 HydrophobicContact CE-CG2 4.43Å; M432-V447 HydrophobicContact SD-CG1 3.59Å; M432-V447 VanDerWaalsContact SD-CG1 3.59Å; M432-V447 HydrophobicContact SD-CG2 4.12Å; Y440-V447 HydrophobicContact CD1-CG2 3.93Å; Y440-V447 HydrophobicContact CG-CG2 4.04Å; V445-V447 PolarHBondContact O-N 3.37Å; V447-L449 HydrophobicContact CG1-CD2 3.87Å; V447-L449 HydrophobicContact CG1-CG 3.96Å; V447-V466 HydrophobicContact CB-CG2 4.26Å; V447-V466 HydrophobicContact CG1-CG2 4.01Å; V447-V466 VanDerWaalsContact O-CG2 3.3Å; V447-V466 WeakPolarHBondContact O-CG2 3.36Å; V447-S467 PolarHBondContact N-OG 2.89Å; V447-S467 VanDerWaalsContact N-OG 3.16Å; V447-S467 WeakPolarHBondContact O-CB 3.33Å; V447-S467 PolarHBondContact O-N 2.87Å; V447-S467 VanDerWaalsContact O-N 3.11Å; V447-S468 PolarHBondContact O-N 3.01Å; V447-S468 VanDerWaalsContact O-N 3.1Å
448	N	98.6	Very high	96.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.5	166.1	-170.1	63.4	0	0	0	110.3	V230 V425 N426 L427 S468 V469 T470	V230-N448 WeakPolarHBondContact CG2-OD1 3.18Å; V425-N448 WeakPolarHBondContact O-CB 3.42Å; V425-N448 PolarHBondContact O-N 3.14Å; N426-N448 WeakPolarHBondContact CA-O 3.3Å; N426-N448 PolarHBondContact OD1-ND2 3.42Å; L427-N448 PolarHBondContact N-O 2.89Å; N448-S468 WeakPolarHBondContact CA-O 3.2Å; N448-S468 WeakPolarHBondContact CA-OG 3.44Å; N448-S468 VanDerWaalsContact CB-OG 3.24Å; N448-S468 WeakPolarHBondContact CB-OG 3.43Å; N448-S468 VanDerWaalsContact CG-OG 3.26Å; N448-S468 VanDerWaalsContact OD1-C 3.25Å; N448-S468 VanDerWaalsContact OD1-CB 3.28Å; N448-S468 WeakPolarHBondContact OD1-CB 3.49Å; N448-S468 PolarHBondContact OD1-O 2.98Å; N448-S468 PolarHBondContact OD1-OG 3.44Å; N448-V469 PolarHBondContact OD1-N 2.8Å; N448-T470 PolarHBondContact ND2-OG1 3.48Å
449	L	98.5	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.5	177	-60.9	178.1	0	0	0	111.9	L427 M432 I437 V447 L461 V466 S468 V469 T470	L427-L449 HydrophobicContact CB-CD2 4.04Å; L427-L449 CarbonylContact O-C 3.06Å; L427-L449 VanDerWaalsContact O-CA 3.25Å; L427-L449 WeakPolarHBondContact O-CA 3.45Å; M432-L449 HydrophobicContact CB-CD2 4.22Å; I437-L449 HydrophobicContact CD1-CD1 3.83Å; I437-L449 HydrophobicContact CG1-CD1 4.47Å; V447-L449 HydrophobicContact CG1-CD2 3.87Å; V447-L449 HydrophobicContact CG1-CG 3.96Å; L449-L461 HydrophobicContact CB-CD1 4.48Å; L449-L461 HydrophobicContact CD1-CD1 4.11Å; L449-L461 HydrophobicContact CD1-CD2 3.74Å; L449-L461 HydrophobicContact CD1-CG 4.47Å; L449-V466 HydrophobicContact CB-CG2 4.44Å; L449-V466 HydrophobicContact CD1-CG2 3.85Å; L449-V466 HydrophobicContact CG-CG2 3.85Å; L449-S468 PolarHBondContact N-O 3.41Å; L449-V469 VanDerWaalsContact O-CA 3.3Å; L449-V469 WeakPolarHBondContact O-CA 3.28Å; L449-T470 PolarHBondContact O-N 3.04Å
450	Y	96.9	Very high	96.2	Very high	81 Å²	81	35.2 Å²	35.2	32%	0.318	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.8	-177.2	68.7	-95	0	0	0	113.2	N426 L427 P428 Y429	N426-Y450 VanDerWaalsContact ND2-CE1 3.34Å; N426-Y450 WeakPolarHBondContact ND2-CE1 3.43Å; N426-Y450 VanDerWaalsContact OD1-CD1 3.26Å; N426-Y450 WeakPolarHBondContact OD1-CD1 3.45Å; L427-Y450 VanDerWaalsContact C-CD1 3.42Å; L427-Y450 WeakPolarHBondContact O-CD1 3.47Å; L427-Y450 PolarHBondContact O-N 3.4Å; P428-Y450 WeakPolarHBondContact CA-O 3.44Å; P428-Y450 HydrophobicContact CG-CE2 4.16Å; Y429-Y450 PolarHBondContact N-O 3.49Å
451	V	95.8	Very high	96.3	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.073	16%	0.161	C	C	.	.			cis	-97.4	122	-20.4	-172.1	0	0	0	0	107.9	N66 H232 T470	N66-V451 PolarHBondContact ND2-O 3.31Å; H232-V451 HydrophobicContact CB-CG1 4.31Å; V451-T470 CarbonylContact C-O 3.41Å; V451-T470 WeakPolarHBondContact CA-O 3.35Å
452	V	97.4	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.			trans	-102.5	107.8	-175.1	179.2	0	0	0	0	109.4	L457 F458 L461 V469 T470 T471 L477	V452-L457 HydrophobicContact CB-CD2 4.46Å; V452-L457 HydrophobicContact CG1-CB 4.26Å; V452-L457 HydrophobicContact CG1-CD2 4.06Å; V452-L457 HydrophobicContact CG1-CG 3.96Å; V452-L457 HydrophobicContact CG2-CD2 4.22Å; V452-F458 HydrophobicContact CG1-CB 4.11Å; V452-L461 HydrophobicContact CG1-CD1 4.35Å; V452-L461 HydrophobicContact CG2-CD1 3.59Å; V452-V469 HydrophobicContact CB-CB 3.96Å; V452-V469 HydrophobicContact CB-CG1 4.29Å; V452-V469 HydrophobicContact CB-CG2 4.23Å; V452-V469 HydrophobicContact CG2-CB 3.98Å; V452-V469 HydrophobicContact CG2-CG1 4Å; V452-T470 PolarHBondContact N-O 3.35Å; V452-T471 WeakPolarHBondContact O-CB 3.21Å; V452-T471 PolarHBondContact O-OG1 3.02Å; V452-L477 HydrophobicContact CG1-CD1 4.46Å; V452-L477 WeakPolarHBondContact O-CD1 3.45Å
453	N	96.1	Very high	96.7	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.059	12%	0.12	C	C	.	.			trans	-110.8	-20	-175.3	-61.2	-44	0	0	0	113.3	N66 M237 N472 A473	N66-N453 PolarHBondContact O-ND2 3.03Å; N66-N453 PolarHBondContact OD1-N 2.72Å; M237-N453 HydrophobicContact CE-CB 4.37Å; N453-N472 PolarHBondContact ND2-ND2 3.49Å; N453-N472 WeakPolarHBondContact OD1-CB 3.4Å; N453-N472 PolarHBondContact OD1-N 3.45Å; N453-N472 PolarHBondContact OD1-ND2 3.42Å; N453-A473 HydrophobicContact CB-CB 4.34Å; N453-A473 WeakPolarHBondContact O-CB 3.25Å
454	Q	95.4	Very high	96.9	Very high	55 Å²	55	20.6 Å²	20.6	26%	0.257	10%	0.104	S	C	.	.			trans	-101.2	135.6	-172.9	-65.4	-63.5	-32.1	0	0	112.8	L65 N66 W456 L457 F458	L65-Q454 PolarHBondContact O-NE2 3.31Å; N66-Q454 HydrophobicContact CB-CG 3.83Å; N66-Q454 PolarHBondContact OD1-N 2.87Å; Q454-W456 VanDerWaalsContact C-N 3.25Å; Q454-W456 VanDerWaalsContact CB-CD1 3.49Å; Q454-W456 HydrophobicContact CB-CG 4.24Å; Q454-W456 PolarHBondContact O-N 2.71Å; Q454-L457 HydrophobicContact CB-CB 4.42Å; Q454-L457 PolarHBondContact O-N 3.47Å; Q454-L457 VanDerWaalsContact O-N 3.1Å; Q454-F458 PolarHBondContact O-N 3.21Å
455	P	96.7	Very high	97.1	Very high	32 Å²	32	13.9 Å²	13.9	21%	0.208	7%	0.069	C	C	.	.	H	α-helix	trans	-56.3	-36.7	176.8	-29.2	36.8	0	0	0	114	L457 S459 V476 L477 M480 I484	P455-L457 VanDerWaalsContact C-N 3.33Å; P455-L457 PolarHBondContact O-N 3.23Å; P455-S459 WeakPolarHBondContact O-CB 3.08Å; P455-S459 PolarHBondContact O-N 3.31Å; P455-V476 HydrophobicContact CG-CG1 3.79Å; P455-L477 HydrophobicContact CG-CD2 4.46Å; P455-M480 HydrophobicContact CB-CE 4.14Å; P455-M480 HydrophobicContact CB-SD 3.68Å; P455-M480 HydrophobicContact CG-SD 4.43Å; P455-I484 HydrophobicContact CB-CD1 3.43Å; P455-I484 VanDerWaalsContact CB-CD1 3.43Å
456	W	95.4	Very high	97.2	Very high	35 Å²	35	13.8 Å²	13.8	13%	0.133	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-40.3	179.2	74.1	-104.8	0	0	0	111.3	V63 I154 Q454 S459 V460 W485	V63-W456 HydrophobicContact CG1-CH2 4.25Å; V63-W456 HydrophobicContact CG1-CZ2 4.25Å; I154-W456 HydrophobicContact CG2-CZ3 4.47Å; Q454-W456 VanDerWaalsContact C-N 3.25Å; Q454-W456 VanDerWaalsContact CB-CD1 3.49Å; Q454-W456 HydrophobicContact CB-CG 4.24Å; Q454-W456 PolarHBondContact O-N 2.71Å; W456-S459 WeakPolarHBondContact O-CB 3.32Å; W456-V460 WeakPolarHBondContact O-CG2 3.36Å; W456-V460 PolarHBondContact O-N 3.08Å; W456-W485 HydrophobicContact CB-CZ2 4.07Å; W456-W485 VanDerWaalsContact CB-NE1 3.31Å; W456-W485 PolarHBondContact O-NE1 2.92Å
457	L	97.1	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-73.6	-44.7	-179.8	179	59.2	0	0	0	110.3	N66 I154 Y429 V452 Q454 P455 S459 V460 L461	N66-L457 HydrophobicContact CB-CD2 4.44Å; I154-L457 HydrophobicContact CG2-CD1 3.78Å; Y429-L457 HydrophobicContact CD1-CD2 4.12Å; Y429-L457 HydrophobicContact CD2-CD1 3.98Å; Y429-L457 HydrophobicContact CD2-CD2 3.85Å; Y429-L457 HydrophobicContact CE1-CD2 4.06Å; Y429-L457 HydrophobicContact CE2-CD1 4.19Å; Y429-L457 HydrophobicContact CE2-CD2 3.79Å; Y429-L457 HydrophobicContact CG-CD2 4.01Å; V452-L457 HydrophobicContact CB-CD2 4.46Å; V452-L457 HydrophobicContact CG1-CB 4.26Å; V452-L457 HydrophobicContact CG1-CD2 4.06Å; V452-L457 HydrophobicContact CG1-CG 3.96Å; V452-L457 HydrophobicContact CG2-CD2 4.22Å; Q454-L457 HydrophobicContact CB-CB 4.42Å; Q454-L457 PolarHBondContact O-N 3.47Å; Q454-L457 VanDerWaalsContact O-N 3.1Å; P455-L457 VanDerWaalsContact C-N 3.33Å; P455-L457 PolarHBondContact O-N 3.23Å; L457-S459 PolarHBondContact O-N 3.27Å; L457-V460 PolarHBondContact O-N 3.34Å; L457-V460 VanDerWaalsContact O-N 3.13Å; L457-L461 HydrophobicContact CD1-CD1 4.21Å; L457-L461 HydrophobicContact CD1-CG 4.23Å; L457-L461 HydrophobicContact CG-CD1 4.12Å; L457-L461 WeakPolarHBondContact O-CG 3.48Å; L457-L461 PolarHBondContact O-N 3.03Å
458	F	97.9	Very high	97.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-54.7	-42.8	173.9	-175.4	-106.7	0	0	0	111.8	K226 P227 L229 V452 Q454 V460 L461 W462 V469 L477 M480	K226-F458 HydrophobicContact CG-CE1 4.41Å; K226-F458 HydrophobicContact CG-CZ 4.14Å; P227-F458 HydrophobicContact CB-CE2 3.89Å; P227-F458 HydrophobicContact CB-CZ 4.14Å; P227-F458 HydrophobicContact CG-CE2 4.05Å; P227-F458 HydrophobicContact CG-CZ 4.11Å; L229-F458 HydrophobicContact CD2-CE2 3.93Å; L229-F458 HydrophobicContact CD2-CZ 4.23Å; V452-F458 HydrophobicContact CG1-CB 4.11Å; Q454-F458 PolarHBondContact O-N 3.21Å; F458-V460 PolarHBondContact O-N 3.27Å; F458-L461 PolarHBondContact O-N 3.22Å; F458-W462 HydrophobicContact CD1-CE3 4.22Å; F458-W462 AromaticContact CE1-CE3 3.7Å; F458-W462 HydrophobicContact CE1-CE3 3.7Å; F458-W462 HydrophobicContact CE1-CZ3 4.13Å; F458-W462 VanDerWaalsContact O-CB 3.27Å; F458-W462 WeakPolarHBondContact O-CB 3.39Å; F458-W462 PolarHBondContact O-N 2.95Å; F458-V469 HydrophobicContact CD2-CG1 4.22Å; F458-V469 HydrophobicContact CD2-CG2 3.67Å; F458-V469 HydrophobicContact CE2-CG1 4.38Å; F458-V469 HydrophobicContact CE2-CG2 3.63Å; F458-L477 HydrophobicContact CB-CD1 4.22Å; F458-L477 HydrophobicContact CB-CD2 3.82Å; F458-L477 HydrophobicContact CD1-CD2 4.4Å; F458-L477 HydrophobicContact CD2-CD1 3.88Å; F458-L477 HydrophobicContact CE2-CD1 4.48Å; F458-L477 HydrophobicContact CG-CD1 4.11Å; F458-L477 HydrophobicContact CG-CD2 4.04Å; F458-L477 HydrophobicContact CG-CG 4.48Å; F458-M480 HydrophobicContact CB-SD 4.35Å; F458-M480 HydrophobicContact CD1-CB 4.5Å; F458-M480 HydrophobicContact CD1-CE 3.93Å; F458-M480 HydrophobicContact CD1-SD 3.57Å; F458-M480 VanDerWaalsContact CD1-SD 3.57Å; F458-M480 HydrophobicContact CE1-CB 4.39Å; F458-M480 HydrophobicContact CE1-SD 4.34Å; F458-M480 HydrophobicContact CG-SD 4.33Å
459	S	97.3	Very high	97.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-47.2	176.3	176.6	0	0	0	0	112.5	P455 W456 L457 W462 C463 P483 I484 W485	P455-S459 WeakPolarHBondContact O-CB 3.08Å; P455-S459 PolarHBondContact O-N 3.31Å; W456-S459 WeakPolarHBondContact O-CB 3.32Å; L457-S459 PolarHBondContact O-N 3.27Å; S459-W462 PolarHBondContact O-N 3.24Å; S459-C463 PolarHBondContact O-N 3Å; S459-C463 PolarHBondContact O-SG 3.27Å; S459-P483 WeakPolarHBondContact OG-CA 3.33Å; S459-P483 WeakPolarHBondContact OG-CB 3.42Å; S459-I484 PolarHBondContact OG-N 3.29Å; S459-W485 PolarHBondContact OG-N 3.08Å
460	V	96.7	Very high	97.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-44.3	-179.2	177.5	0	0	0	0	111	I154 A158 P215 W456 L457 F458 C463 A464	I154-V460 HydrophobicContact CG2-CG1 4.01Å; A158-V460 HydrophobicContact CB-CG2 3.31Å; P215-V460 HydrophobicContact CG-CG1 3.6Å; W456-V460 WeakPolarHBondContact O-CG2 3.36Å; W456-V460 PolarHBondContact O-N 3.08Å; L457-V460 PolarHBondContact O-N 3.34Å; L457-V460 VanDerWaalsContact O-N 3.13Å; F458-V460 PolarHBondContact O-N 3.27Å; V460-C463 PolarHBondContact O-N 3.46Å; V460-A464 PolarHBondContact O-N 2.91Å
461	L	98	Very high	97.4	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-68.9	-35.1	-179.9	-62.2	178.2	0	0	0	112	I437 L449 V452 L457 F458 A464 G465 V466 V469	I437-L461 HydrophobicContact CD1-CD2 4.03Å; L449-L461 HydrophobicContact CB-CD1 4.48Å; L449-L461 HydrophobicContact CD1-CD1 4.11Å; L449-L461 HydrophobicContact CD1-CD2 3.74Å; L449-L461 HydrophobicContact CD1-CG 4.47Å; V452-L461 HydrophobicContact CG1-CD1 4.35Å; V452-L461 HydrophobicContact CG2-CD1 3.59Å; L457-L461 HydrophobicContact CD1-CD1 4.21Å; L457-L461 HydrophobicContact CD1-CG 4.23Å; L457-L461 HydrophobicContact CG-CD1 4.12Å; L457-L461 WeakPolarHBondContact O-CG 3.48Å; L457-L461 PolarHBondContact O-N 3.03Å; F458-L461 PolarHBondContact O-N 3.22Å; L461-A464 PolarHBondContact O-N 3.41Å; L461-G465 PolarHBondContact O-N 3.44Å; L461-G465 VanDerWaalsContact O-N 3.08Å; L461-V466 HydrophobicContact CB-CB 4.34Å; L461-V466 HydrophobicContact CB-CG1 3.8Å; L461-V466 WeakPolarHBondContact O-CG1 3.27Å; L461-V466 PolarHBondContact O-N 3.43Å; L461-V466 VanDerWaalsContact O-N 3.12Å; L461-V469 HydrophobicContact CD1-CG1 4.3Å
462	W	98	Very high	97.5	Very high	11 Å²	11	9.9 Å²	9.9	4%	0.042	5%	0.054	C	C	.	.	H	α-helix	trans	-59.7	-51.9	170.8	-176.7	-5.3	0	0	0	110.5	L223 P224 K226 P227 F458 S459 A464 G465 K481 H482 P483	L223-W462 HydrophobicContact CD2-CZ2 4.08Å; P224-W462 PolarHBondContact O-NE1 3.49Å; K226-W462 HydrophobicContact CB-CH2 3.85Å; K226-W462 HydrophobicContact CB-CZ2 3.54Å; K226-W462 HydrophobicContact CD-CH2 3.99Å; K226-W462 HydrophobicContact CD-CZ3 4.24Å; K226-W462 HydrophobicContact CG-CD2 4.44Å; K226-W462 HydrophobicContact CG-CE3 4.33Å; K226-W462 HydrophobicContact CG-CH2 3.8Å; K226-W462 HydrophobicContact CG-CZ2 3.96Å; K226-W462 HydrophobicContact CG-CZ3 4.01Å; P227-W462 VanDerWaalsContact CD-CG 3.44Å; P227-W462 HydrophobicContact CG-CB 3.9Å; P227-W462 HydrophobicContact CG-CG 4.14Å; F458-W462 HydrophobicContact CD1-CE3 4.22Å; F458-W462 AromaticContact CE1-CE3 3.7Å; F458-W462 HydrophobicContact CE1-CE3 3.7Å; F458-W462 HydrophobicContact CE1-CZ3 4.13Å; F458-W462 VanDerWaalsContact O-CB 3.27Å; F458-W462 WeakPolarHBondContact O-CB 3.39Å; F458-W462 PolarHBondContact O-N 2.95Å; S459-W462 PolarHBondContact O-N 3.24Å; W462-A464 PolarHBondContact O-N 2.89Å; W462-G465 WeakPolarHBondContact O-CA 3.31Å; W462-G465 PolarHBondContact O-N 3.35Å; W462-K481 WeakPolarHBondContact CH2-O 3.37Å; W462-H482 VanDerWaalsContact CZ3-C 3.5Å; W462-P483 HydrophobicContact CB-CG 4.49Å; W462-P483 HydrophobicContact CD2-CG 3.73Å; W462-P483 HydrophobicContact CE3-CB 4.37Å; W462-P483 HydrophobicContact CE3-CG 3.87Å; W462-P483 HydrophobicContact CG-CG 4.02Å; W462-P483 HydrophobicContact CZ3-CG 4.44Å
463	C	97.6	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.6	-33.5	176	-57.6	0	0	0	0	112.7	P215 C216 M218 R438 S459 V460 G465	P215-C463 HydrophobicContact CB-CB 4.07Å; P215-C463 HydrophobicContact CG-CB 4.38Å; P215-C463 WeakPolarHBondContact O-CB 3.3Å; C216-C463 WeakPolarHBondContact CA-SG 3.47Å; C216-C463 HydrophobicContact CB-CB 3.84Å; C216-C463 WeakPolarHBondContact CB-SG 3.47Å; C216-C463 WeakPolarHBondContact SG-CB 3.28Å; C216-C463 CovalentContact SG-SG 2.04Å; C216-C463 PolarHBondContact SG-SG 2.89Å; M218-C463 HydrophobicContact CE-CB 4.18Å; M218-C463 WeakPolarHBondContact CE-O 3.44Å; R438-C463 PolarHBondContact NH2-O 3.49Å; R438-C463 VanDerWaalsContact NH2-O 3.11Å; S459-C463 PolarHBondContact O-N 3Å; S459-C463 PolarHBondContact O-SG 3.27Å; V460-C463 PolarHBondContact O-N 3.46Å; C463-G465 PolarHBondContact O-N 2.89Å
464	A	97.4	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-70.2	-18.5	175	0	0	0	0	0	113.1	P215 I437 R438 V460 L461 W462	P215-A464 HydrophobicContact CB-CB 4.14Å; I437-A464 HydrophobicContact CB-CB 4.36Å; I437-A464 HydrophobicContact CD1-CB 3.9Å; I437-A464 HydrophobicContact CG2-CB 4.25Å; I437-A464 WeakPolarHBondContact CG2-O 3.47Å; R438-A464 VanDerWaalsContact CG-O 3.23Å; R438-A464 WeakPolarHBondContact CG-O 3.33Å; V460-A464 PolarHBondContact O-N 2.91Å; L461-A464 PolarHBondContact O-N 3.41Å; W462-A464 PolarHBondContact O-N 2.89Å
465	G	97.5	Very high	97.5	Very high	1 Å²	1	9 Å²	9	1%	0.01	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	27.5	176.4	0	0	0	0	0	114.4	R441 L461 W462 C463	R441-G465 WeakPolarHBondContact CD-O 3.27Å; R441-G465 PolarHBondContact NH1-O 3.24Å; L461-G465 PolarHBondContact O-N 3.44Å; L461-G465 VanDerWaalsContact O-N 3.08Å; W462-G465 WeakPolarHBondContact O-CA 3.31Å; W462-G465 PolarHBondContact O-N 3.35Å; C463-G465 PolarHBondContact O-N 2.89Å
466	V	98.3	Very high	97.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.012	6%	0.058	C	C	.	.			trans	-57.3	144.8	173.6	77.1	0	0	0	0	110.7	P227 I437 V447 L449 L461 S468 V469	P227-V466 HydrophobicContact CB-CG1 3.74Å; P227-V466 HydrophobicContact CG-CG1 3.46Å; P227-V466 VanDerWaalsContact CG-CG1 3.46Å; I437-V466 HydrophobicContact CG2-CB 4.15Å; V447-V466 HydrophobicContact CB-CG2 4.26Å; V447-V466 HydrophobicContact CG1-CG2 4.01Å; V447-V466 VanDerWaalsContact O-CG2 3.3Å; V447-V466 WeakPolarHBondContact O-CG2 3.36Å; L449-V466 HydrophobicContact CB-CG2 4.44Å; L449-V466 HydrophobicContact CD1-CG2 3.85Å; L449-V466 HydrophobicContact CG-CG2 3.85Å; L461-V466 HydrophobicContact CB-CB 4.34Å; L461-V466 HydrophobicContact CB-CG1 3.8Å; L461-V466 WeakPolarHBondContact O-CG1 3.27Å; L461-V466 PolarHBondContact O-N 3.43Å; L461-V466 VanDerWaalsContact O-N 3.12Å; V466-S468 WeakPolarHBondContact CG2-O 3.3Å; V466-V469 HydrophobicContact CG1-CG1 4.05Å
467	S	98.3	Very high	97.7	Very high	38 Å²	38	8.8 Å²	8.8	27%	0.266	5%	0.052	S	C	.	.	S	Bend	trans	-77.3	-42	-179	-54	0	0	0	0	111.8	P227 A228 S446 V447	P227-S467 WeakPolarHBondContact CA-O 3.36Å; A228-S467 PolarHBondContact N-O 3.34Å; S446-S467 WeakPolarHBondContact CA-OG 3.35Å; S446-S467 WeakPolarHBondContact OG-CB 3.35Å; V447-S467 PolarHBondContact N-OG 2.89Å; V447-S467 VanDerWaalsContact N-OG 3.16Å; V447-S467 WeakPolarHBondContact O-CB 3.33Å; V447-S467 PolarHBondContact O-N 2.87Å; V447-S467 VanDerWaalsContact O-N 3.11Å
468	S	98.6	Very high	97.7	Very high	14 Å²	14	11.7 Å²	11.7	10%	0.098	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.9	-177.2	58.6	0	0	0	0	112	A228 V447 N448 L449 V466	A228-S468 CarbonylContact O-C 3.55Å; A228-S468 WeakPolarHBondContact O-CA 3.31Å; A228-S468 WeakPolarHBondContact O-CB 3.32Å; V447-S468 PolarHBondContact O-N 3.01Å; V447-S468 VanDerWaalsContact O-N 3.1Å; N448-S468 WeakPolarHBondContact CA-O 3.2Å; N448-S468 WeakPolarHBondContact CA-OG 3.44Å; N448-S468 VanDerWaalsContact CB-OG 3.24Å; N448-S468 WeakPolarHBondContact CB-OG 3.43Å; N448-S468 VanDerWaalsContact CG-OG 3.26Å; N448-S468 VanDerWaalsContact OD1-C 3.25Å; N448-S468 VanDerWaalsContact OD1-CB 3.28Å; N448-S468 WeakPolarHBondContact OD1-CB 3.49Å; N448-S468 PolarHBondContact OD1-O 2.98Å; N448-S468 PolarHBondContact OD1-OG 3.44Å; L449-S468 PolarHBondContact N-O 3.41Å; V466-S468 WeakPolarHBondContact CG2-O 3.3Å
469	V	98.7	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.4	169.2	-56.2	0	0	0	0	111.4	A228 L229 V230 N448 L449 V452 F458 L461 V466 L477	A228-V469 PolarHBondContact O-N 3.01Å; L229-V469 HydrophobicContact CD2-CG2 3.97Å; V230-V469 PolarHBondContact N-O 3.08Å; N448-V469 PolarHBondContact OD1-N 2.8Å; L449-V469 VanDerWaalsContact O-CA 3.3Å; L449-V469 WeakPolarHBondContact O-CA 3.28Å; V452-V469 HydrophobicContact CB-CB 3.96Å; V452-V469 HydrophobicContact CB-CG1 4.29Å; V452-V469 HydrophobicContact CB-CG2 4.23Å; V452-V469 HydrophobicContact CG2-CB 3.98Å; V452-V469 HydrophobicContact CG2-CG1 4Å; F458-V469 HydrophobicContact CD2-CG1 4.22Å; F458-V469 HydrophobicContact CD2-CG2 3.67Å; F458-V469 HydrophobicContact CE2-CG1 4.38Å; F458-V469 HydrophobicContact CE2-CG2 3.63Å; L461-V469 HydrophobicContact CD1-CG1 4.3Å; V466-V469 HydrophobicContact CG1-CG1 4.05Å; V469-L477 HydrophobicContact CG2-CD1 4.27Å
470	T	98.6	Very high	97.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.8	167.4	-58.7	0	0	0	0	109.5	V230 H232 E259 N448 L449 V451 V452	V230-T470 HydrophobicContact CG1-CG2 4.3Å; V230-T470 WeakPolarHBondContact CG1-OG1 3.47Å; V230-T470 WeakPolarHBondContact O-CA 3.37Å; H232-T470 HydrophobicContact CB-CG2 3.43Å; H232-T470 VanDerWaalsContact CB-CG2 3.43Å; E259-T470 HydrophobicContact CB-CG2 4.21Å; E259-T470 HydrophobicContact CG-CG2 4.16Å; N448-T470 PolarHBondContact ND2-OG1 3.48Å; L449-T470 PolarHBondContact O-N 3.04Å; V451-T470 CarbonylContact C-O 3.41Å; V451-T470 WeakPolarHBondContact CA-O 3.35Å; V452-T470 PolarHBondContact N-O 3.35Å
471	T	98.3	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.9	-171.1	-172.5	0	0	0	0	113.2	L229 V230 H232 V452 A473 C474 L477	L229-T471 HydrophobicContact CD2-CG2 4.42Å; V230-T471 PolarHBondContact O-N 3.29Å; H232-T471 WeakPolarHBondContact CB-O 3.48Å; H232-T471 PolarHBondContact N-O 3.04Å; V452-T471 WeakPolarHBondContact O-CB 3.21Å; V452-T471 PolarHBondContact O-OG1 3.02Å; T471-A473 PolarHBondContact OG1-N 2.88Å; T471-C474 HydrophobicContact CG2-CB 3.93Å; T471-L477 HydrophobicContact CG2-CD1 4.18Å; T471-L477 WeakPolarHBondContact OG1-CD1 3.24Å
472	N	97.4	Very high	97.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.161	C	C	.	.	S	Bend	trans	-80.4	-21.7	164.1	-61.9	-46.6	0	0	0	112	H232 P236 M237 N453	H232-N472 PolarHBondContact ND1-OD1 3.19Å; P236-N472 HydrophobicContact CG-CB 3.87Å; P236-N472 WeakPolarHBondContact CG-OD1 3.3Å; M237-N472 VanDerWaalsContact CB-O 3.27Å; M237-N472 WeakPolarHBondContact CB-O 3.43Å; M237-N472 HydrophobicContact CE-CB 3.95Å; M237-N472 HydrophobicContact CG-CB 4.01Å; M237-N472 WeakPolarHBondContact CG-O 3.29Å; M237-N472 HydrophobicContact SD-CB 4.4Å; N453-N472 PolarHBondContact ND2-ND2 3.49Å; N453-N472 WeakPolarHBondContact OD1-CB 3.4Å; N453-N472 PolarHBondContact OD1-N 3.45Å; N453-N472 PolarHBondContact OD1-ND2 3.42Å
473	A	96.8	Very high	97.4	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.159	C	C	.	.			trans	-105.7	38.8	-168.1	0	0	0	0	0	112.2	M237 N453 T471 Q475 V476 L477	M237-A473 HydrophobicContact CE-CB 3.98Å; M237-A473 HydrophobicContact SD-CB 3.55Å; M237-A473 VanDerWaalsContact SD-CB 3.55Å; N453-A473 HydrophobicContact CB-CB 4.34Å; N453-A473 WeakPolarHBondContact O-CB 3.25Å; T471-A473 PolarHBondContact OG1-N 2.88Å; A473-Q475 PolarHBondContact O-N 2.83Å; A473-Q475 VanDerWaalsContact O-N 3.13Å; A473-V476 HydrophobicContact CB-CB 4.38Å; A473-V476 HydrophobicContact CB-CG2 4.36Å; A473-V476 WeakPolarHBondContact O-CB 3.3Å; A473-V476 PolarHBondContact O-N 3.37Å; A473-L477 PolarHBondContact O-N 2.89Å; A473-L477 VanDerWaalsContact O-N 3.13Å
474	C	97.4	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-54.2	-37.1	-174.3	68.7	0	0	0	0	112.9	C253 V255 T471 V476 L477 K478	C253-C474 HydrophobicContact CB-CB 3.35Å; C253-C474 WeakPolarHBondContact CB-SG 3.46Å; C253-C474 WeakPolarHBondContact SG-CB 3.27Å; C253-C474 CovalentContact SG-SG 2.06Å; C253-C474 PolarHBondContact SG-SG 3.3Å; V255-C474 HydrophobicContact CG1-CB 4.21Å; T471-C474 HydrophobicContact CG2-CB 3.93Å; C474-V476 PolarHBondContact O-N 2.88Å; C474-L477 PolarHBondContact O-N 2.83Å; C474-K478 VanDerWaalsContact O-CB 3.22Å; C474-K478 WeakPolarHBondContact O-CB 3.33Å; C474-K478 PolarHBondContact O-N 3.07Å
475	Q	96.4	Very high	97	Very high	47 Å²	47	39.7 Å²	39.7	22%	0.22	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-26.4	177.6	70.2	-74.2	0.8	0	0	113.7	L238 C253 A473	L238-Q475 HydrophobicContact CD1-CB 4.17Å; L238-Q475 HydrophobicContact CD2-CB 4.42Å; L238-Q475 HydrophobicContact CD2-CG 3.99Å; C253-Q475 PolarHBondContact SG-N 2.87Å; A473-Q475 PolarHBondContact O-N 2.83Å; A473-Q475 VanDerWaalsContact O-N 3.13Å
476	V	96.8	Very high	96.9	Very high	62 Å²	62	41.4 Å²	41.4	38%	0.376	20%	0.201	S	C	.	.	H	α-helix	trans	-86.5	-46.8	178.6	-176.8	0	0	0	0	109.7	P455 A473 C474 K478 E479	P455-V476 HydrophobicContact CG-CG1 3.79Å; A473-V476 HydrophobicContact CB-CB 4.38Å; A473-V476 HydrophobicContact CB-CG2 4.36Å; A473-V476 WeakPolarHBondContact O-CB 3.3Å; A473-V476 PolarHBondContact O-N 3.37Å; C474-V476 PolarHBondContact O-N 2.88Å; V476-K478 PolarHBondContact O-N 3.23Å; V476-E479 PolarHBondContact O-N 3.33Å
477	L	97.9	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-74	-27.2	-175	-56	-171.8	0	0	0	112.7	K226 L229 V452 P455 F458 V469 T471 A473 C474 E479 M480	K226-L477 PolarHBondContact NZ-O 3.12Å; L229-L477 HydrophobicContact CD1-CB 4.23Å; L229-L477 HydrophobicContact CD2-CB 3.89Å; L229-L477 HydrophobicContact CD2-CD1 4.38Å; V452-L477 HydrophobicContact CG1-CD1 4.46Å; V452-L477 WeakPolarHBondContact O-CD1 3.45Å; P455-L477 HydrophobicContact CG-CD2 4.46Å; F458-L477 HydrophobicContact CB-CD1 4.22Å; F458-L477 HydrophobicContact CB-CD2 3.82Å; F458-L477 HydrophobicContact CD1-CD2 4.4Å; F458-L477 HydrophobicContact CD2-CD1 3.88Å; F458-L477 HydrophobicContact CE2-CD1 4.48Å; F458-L477 HydrophobicContact CG-CD1 4.11Å; F458-L477 HydrophobicContact CG-CD2 4.04Å; F458-L477 HydrophobicContact CG-CG 4.48Å; V469-L477 HydrophobicContact CG2-CD1 4.27Å; T471-L477 HydrophobicContact CG2-CD1 4.18Å; T471-L477 WeakPolarHBondContact OG1-CD1 3.24Å; A473-L477 PolarHBondContact O-N 2.89Å; A473-L477 VanDerWaalsContact O-N 3.13Å; C474-L477 PolarHBondContact O-N 2.83Å; L477-E479 VanDerWaalsContact C-N 3.28Å; L477-E479 PolarHBondContact O-N 3.46Å; L477-M480 HydrophobicContact CD2-SD 3.82Å; L477-M480 PolarHBondContact O-N 2.82Å
478	K	97.2	Very high	96.5	Very high	61 Å²	61	42.3 Å²	42.3	27%	0.265	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-42.3	172.7	170.4	169.7	166.6	163.6	0	111.8	K226 L229 G252 D254 C474 V476 M480	K226-K478 PolarHBondContact NZ-O 3.32Å; L229-K478 HydrophobicContact CD1-CB 4.06Å; G252-K478 PolarHBondContact O-NZ 2.97Å; D254-K478 HydrophobicContact CB-CD 4.44Å; D254-K478 IonicContact OD1-NZ 3.89Å; D254-K478 PolarHBondContact OD1-NZ 2.99Å; D254-K478 WeakPolarHBondContact OD2-CE 3.48Å; D254-K478 IonicContact OD2-NZ 2.74Å; D254-K478 PolarHBondContact OD2-NZ 3.45Å; C474-K478 VanDerWaalsContact O-CB 3.22Å; C474-K478 WeakPolarHBondContact O-CB 3.33Å; C474-K478 PolarHBondContact O-N 3.07Å; V476-K478 PolarHBondContact O-N 3.23Å; K478-M480 PolarHBondContact O-N 3.4Å
479	E	97.4	Very high	96.2	Very high	128 Å²	128	44.2 Å²	44.2	60%	0.598	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.6	-176.5	-63.9	-56.6	140.4	0	0	113.9	V476 L477 K481	V476-E479 PolarHBondContact O-N 3.33Å; L477-E479 VanDerWaalsContact C-N 3.28Å; L477-E479 PolarHBondContact O-N 3.46Å; E479-K481 PolarHBondContact O-N 3.38Å; E479-K481 VanDerWaalsContact O-N 3.1Å
480	M	97.3	Very high	95.9	Very high	19 Å²	19	47.4 Å²	47.4	9%	0.094	24%	0.241	C	C	.	.			trans	-69.2	110.3	179	-65.7	-173	64.5	0	0	111.3	K226 P455 F458 L477 K478 I484	K226-M480 WeakPolarHBondContact CE-O 3.44Å; K226-M480 PolarHBondContact NZ-O 3.29Å; P455-M480 HydrophobicContact CB-CE 4.14Å; P455-M480 HydrophobicContact CB-SD 3.68Å; P455-M480 HydrophobicContact CG-SD 4.43Å; F458-M480 HydrophobicContact CB-SD 4.35Å; F458-M480 HydrophobicContact CD1-CB 4.5Å; F458-M480 HydrophobicContact CD1-CE 3.93Å; F458-M480 HydrophobicContact CD1-SD 3.57Å; F458-M480 VanDerWaalsContact CD1-SD 3.57Å; F458-M480 HydrophobicContact CE1-CB 4.39Å; F458-M480 HydrophobicContact CE1-SD 4.34Å; F458-M480 HydrophobicContact CG-SD 4.33Å; L477-M480 HydrophobicContact CD2-SD 3.82Å; L477-M480 PolarHBondContact O-N 2.82Å; K478-M480 PolarHBondContact O-N 3.4Å; M480-I484 HydrophobicContact CE-CD1 3.84Å; M480-I484 HydrophobicContact CE-CG1 3.88Å
481	K	95.7	Very high	95.7	Very high	184 Å²	184	49.8 Å²	49.8	80%	0.8	26%	0.255	S	S	*	.			trans	-88.3	-21	177	-63.5	-176.5	-178.1	179.6	0	113.8	W462 E479	W462-K481 WeakPolarHBondContact CH2-O 3.37Å; E479-K481 PolarHBondContact O-N 3.38Å; E479-K481 VanDerWaalsContact O-N 3.1Å
482	H	95.8	Very high	95.4	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.556	26%	0.258	S	S	*	.	S	Bend	trans	-148.7	157.2	178	53.8	-90	0	0	0	110.1	W462	W462-H482 VanDerWaalsContact CZ3-C 3.5Å
483	P	96.6	Very high	95.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.013	28%	0.279	C	S	.	.			trans	-66.4	134.6	171.6	-8.8	20.9	0	0	0	111	L223 S459 W462 W485 L486	L223-P483 HydrophobicContact CD1-CG 3.56Å; L223-P483 HydrophobicContact CD2-CG 3.97Å; L223-P483 HydrophobicContact CG-CG 4.42Å; S459-P483 WeakPolarHBondContact OG-CA 3.33Å; S459-P483 WeakPolarHBondContact OG-CB 3.42Å; W462-P483 HydrophobicContact CB-CG 4.49Å; W462-P483 HydrophobicContact CD2-CG 3.73Å; W462-P483 HydrophobicContact CE3-CB 4.37Å; W462-P483 HydrophobicContact CE3-CG 3.87Å; W462-P483 HydrophobicContact CG-CG 4.02Å; W462-P483 HydrophobicContact CZ3-CG 4.44Å; P483-W485 VanDerWaalsContact C-N 3.26Å; P483-W485 PolarHBondContact O-N 2.71Å; P483-L486 HydrophobicContact CB-CB 4.15Å; P483-L486 HydrophobicContact CG-CB 4.25Å; P483-L486 PolarHBondContact O-N 3.48Å
484	I	94.8	Very high	95.2	Very high	94 Å²	94	60 Å²	60	48%	0.482	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.4	180	-62.4	163.7	0	0	0	111.8	P455 S459 M480	P455-I484 HydrophobicContact CB-CD1 3.43Å; P455-I484 VanDerWaalsContact CB-CD1 3.43Å; S459-I484 PolarHBondContact OG-N 3.29Å; M480-I484 HydrophobicContact CE-CD1 3.84Å; M480-I484 HydrophobicContact CE-CG1 3.88Å
485	W	91.8	Very high	95	Very high	56 Å²	56	63 Å²	63	21%	0.212	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	4.5	-175.9	-56.8	118.3	0	0	0	114.2	A158 T159 F162 C216 W456 S459 P483 L487	A158-W485 HydrophobicContact CB-CD2 4.11Å; A158-W485 HydrophobicContact CB-CG 3.92Å; T159-W485 HydrophobicContact CG2-CH2 4.09Å; T159-W485 HydrophobicContact CG2-CZ2 4.12Å; F162-W485 AromaticContact CD2-CE3 3.87Å; F162-W485 HydrophobicContact CD2-CE3 3.87Å; F162-W485 AromaticContact CD2-CZ3 3.75Å; F162-W485 HydrophobicContact CD2-CZ3 3.75Å; F162-W485 AromaticContact CE2-CE3 3.4Å; F162-W485 HydrophobicContact CE2-CE3 3.4Å; F162-W485 AromaticContact CE2-CZ3 3.74Å; F162-W485 HydrophobicContact CE2-CZ3 3.74Å; F162-W485 HydrophobicContact CG-CZ3 4.39Å; F162-W485 HydrophobicContact CZ-CE3 4.01Å; F162-W485 HydrophobicContact CZ-CZ3 4.34Å; C216-W485 HydrophobicContact CB-CB 4.13Å; C216-W485 WeakPolarHBondContact CB-O 3.22Å; W456-W485 HydrophobicContact CB-CZ2 4.07Å; W456-W485 VanDerWaalsContact CB-NE1 3.31Å; W456-W485 PolarHBondContact O-NE1 2.92Å; S459-W485 PolarHBondContact OG-N 3.08Å; P483-W485 VanDerWaalsContact C-N 3.26Å; P483-W485 PolarHBondContact O-N 2.71Å; W485-L487 PolarHBondContact O-N 3.38Å
486	L	94.8	Very high	95	Very high	36 Å²	36	62.9 Å²	62.9	19%	0.188	32%	0.318	C	S	.	.			trans	-61.9	120.4	178.1	-176.9	65.5	0	0	0	109.3	M218 E220 L223 P483	M218-L486 HydrophobicContact CG-CD1 3.64Å; E220-L486 HydrophobicContact CB-CD2 4.42Å; E220-L486 HydrophobicContact CG-CD2 4.33Å; L223-L486 HydrophobicContact CD1-CD1 4.36Å; L223-L486 HydrophobicContact CD2-CD2 4.33Å; P483-L486 HydrophobicContact CB-CB 4.15Å; P483-L486 HydrophobicContact CG-CB 4.25Å; P483-L486 PolarHBondContact O-N 3.48Å
487	L	94.1	Very high	94.9	Very high	22 Å²	22	64.2 Å²	64.2	12%	0.115	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-136.5	112.5	179.1	-175.6	64.8	0	0	0	108.8	F162 C216 L217 M218 W485 S489 T491 Y492 I495	F162-L487 HydrophobicContact CZ-CD2 4.43Å; C216-L487 PolarHBondContact O-N 2.93Å; L217-L487 WeakPolarHBondContact CA-O 3.41Å; L217-L487 HydrophobicContact CD2-CB 4.11Å; L217-L487 HydrophobicContact CD2-CD2 4.06Å; L217-L487 HydrophobicContact CD2-CG 4.27Å; M218-L487 PolarHBondContact N-O 3.25Å; W485-L487 PolarHBondContact O-N 3.38Å; L487-S489 PolarHBondContact O-N 3.3Å; L487-T491 HydrophobicContact CD1-CG2 3.98Å; L487-Y492 HydrophobicContact CD2-CD2 3.66Å; L487-Y492 HydrophobicContact CD2-CG 3.99Å; L487-I495 HydrophobicContact CD1-CD1 4.33Å
488	P	94.8	Very high	94.9	Very high	37 Å²	37	68.1 Å²	68.1	24%	0.24	35%	0.346	C	S	.	.			trans	-53	135.1	176.2	-29.4	36.8	0	0	0	111.8	M218 S490 T491 Y492	M218-P488 WeakPolarHBondContact O-CA 3.3Å; P488-S490 PolarHBondContact O-N 2.94Å; P488-T491 WeakPolarHBondContact O-CA 3.45Å; P488-T491 WeakPolarHBondContact O-CB 3.21Å; P488-T491 PolarHBondContact O-N 3.35Å; P488-Y492 PolarHBondContact O-N 3.13Å
489	S	92.1	Very high	94.8	Very high	54 Å²	54	66.3 Å²	66.3	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-37.6	-175.1	-60.8	0	0	0	0	111.9	L217 E219 L487 Y492 L493	L217-S489 PolarHBondContact O-OG 3.38Å; E219-S489 PolarHBondContact OE1-N 3.08Å; L487-S489 PolarHBondContact O-N 3.3Å; S489-Y492 PolarHBondContact O-N 3.35Å; S489-L493 WeakPolarHBondContact O-CB 3.5Å; S489-L493 PolarHBondContact O-N 3.45Å
490	S	92.4	Very high	94.7	Very high	68 Å²	68	61.1 Å²	61.1	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-42.5	173.6	55	0	0	0	0	112.8	E219 P488 M494	E219-S490 PolarHBondContact OE1-OG 3.39Å; P488-S490 PolarHBondContact O-N 2.94Å; S490-M494 PolarHBondContact O-N 3.43Å; S490-M494 VanDerWaalsContact O-N 3.12Å
491	T	93.7	Very high	94.7	Very high	51 Å²	51	63.5 Å²	63.5	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-69.4	-43.5	178.7	-61.4	0	0	0	0	110.9	L487 P488 L493 M494 I495	L487-T491 HydrophobicContact CD1-CG2 3.98Å; P488-T491 WeakPolarHBondContact O-CA 3.45Å; P488-T491 WeakPolarHBondContact O-CB 3.21Å; P488-T491 PolarHBondContact O-N 3.35Å; T491-L493 PolarHBondContact O-N 3.14Å; T491-M494 WeakPolarHBondContact O-CB 3.24Å; T491-M494 PolarHBondContact O-N 3.35Å; T491-I495 HydrophobicContact CG2-CD1 3.91Å; T491-I495 HydrophobicContact CG2-CG1 4.45Å; T491-I495 WeakPolarHBondContact O-CG1 3.32Å; T491-I495 PolarHBondContact O-N 3.48Å
492	Y	93.3	Very high	94.8	Very high	16 Å²	16	58.7 Å²	58.7	6%	0.063	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-45.5	176	179.3	-124.8	0	0	0	112.1	P161 P209 L217 L487 P488 S489 M494 I495 W496	P161-Y492 HydrophobicContact CB-CD2 4.05Å; P161-Y492 HydrophobicContact CB-CE2 3.5Å; P161-Y492 HydrophobicContact CG-CE2 4.26Å; P209-Y492 HydrophobicContact CB-CE1 4.36Å; P209-Y492 WeakPolarHBondContact CB-OH 3.48Å; L217-Y492 HydrophobicContact CD1-CD1 3.89Å; L217-Y492 HydrophobicContact CD1-CE1 3.89Å; L217-Y492 HydrophobicContact CD2-CD1 3.64Å; L217-Y492 HydrophobicContact CD2-CD2 4.26Å; L217-Y492 HydrophobicContact CD2-CE1 4.33Å; L217-Y492 HydrophobicContact CD2-CG 3.58Å; L217-Y492 HydrophobicContact CG-CD1 4.43Å; L487-Y492 HydrophobicContact CD2-CD2 3.66Å; L487-Y492 HydrophobicContact CD2-CG 3.99Å; P488-Y492 PolarHBondContact O-N 3.13Å; S489-Y492 PolarHBondContact O-N 3.35Å; Y492-M494 VanDerWaalsContact C-N 3.29Å; Y492-M494 PolarHBondContact O-N 2.9Å; Y492-I495 PolarHBondContact O-N 3.4Å; Y492-W496 WeakPolarHBondContact O-CB 3.46Å; Y492-W496 PolarHBondContact O-N 2.85Å
493	L	93.8	Very high	94.8	Very high	87 Å²	87	53.1 Å²	53.1	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-42	176.9	-179.6	62.8	0	0	0	111.7	S489 T491 W496 I497	S489-L493 WeakPolarHBondContact O-CB 3.5Å; S489-L493 PolarHBondContact O-N 3.45Å; T491-L493 PolarHBondContact O-N 3.14Å; L493-W496 HydrophobicContact CD1-CE3 3.85Å; L493-W496 HydrophobicContact CD1-CZ3 4.13Å; L493-W496 PolarHBondContact O-N 2.97Å; L493-I497 HydrophobicContact CD1-CD1 3.99Å; L493-I497 HydrophobicContact CD1-CG1 4.34Å; L493-I497 HydrophobicContact CG-CD1 3.95Å; L493-I497 VanDerWaalsContact O-CG1 3.31Å; L493-I497 WeakPolarHBondContact O-CG1 3.49Å; L493-I497 PolarHBondContact O-N 3.39Å
494	M	95.3	Very high	94.9	Very high	115 Å²	115	58.6 Å²	58.6	57%	0.567	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-48.8	176.2	-169.5	-164.4	-37.2	0	0	111.9	S490 T491 Y492 W496 I497 V498	S490-M494 PolarHBondContact O-N 3.43Å; S490-M494 VanDerWaalsContact O-N 3.12Å; T491-M494 WeakPolarHBondContact O-CB 3.24Å; T491-M494 PolarHBondContact O-N 3.35Å; Y492-M494 VanDerWaalsContact C-N 3.29Å; Y492-M494 PolarHBondContact O-N 2.9Å; M494-W496 VanDerWaalsContact C-N 3.28Å; M494-W496 PolarHBondContact O-N 3.09Å; M494-I497 PolarHBondContact O-N 3.17Å; M494-V498 HydrophobicContact CG-CG2 4.41Å; M494-V498 WeakPolarHBondContact O-CB 3.42Å; M494-V498 VanDerWaalsContact O-CG2 3.26Å; M494-V498 WeakPolarHBondContact O-CG2 3.28Å; M494-V498 PolarHBondContact O-N 2.97Å
495	I	94.3	Very high	95	Very high	63 Å²	63	59.3 Å²	59.3	32%	0.323	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-45.5	178.2	-69	167.2	0	0	0	110.1	I165 L487 T491 Y492 A499	I165-I495 HydrophobicContact CD1-CG2 3.38Å; I165-I495 HydrophobicContact CG1-CG2 4.11Å; L487-I495 HydrophobicContact CD1-CD1 4.33Å; T491-I495 HydrophobicContact CG2-CD1 3.91Å; T491-I495 HydrophobicContact CG2-CG1 4.45Å; T491-I495 WeakPolarHBondContact O-CG1 3.32Å; T491-I495 PolarHBondContact O-N 3.48Å; Y492-I495 PolarHBondContact O-N 3.4Å; I495-A499 WeakPolarHBondContact O-CB 3.48Å; I495-A499 PolarHBondContact O-N 3Å
496	W	95	Very high	95.2	Very high	46 Å²	46	60.9 Å²	60.9	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-56.5	177.5	172	19.2	0	0	0	111.7	H164 Y206 P209 L210 Y492 L493 M494 V498 A499 D500	H164-W496 AromaticContact CE1-CD1 3.97Å; Y206-W496 VanDerWaalsContact O-CZ2 3.3Å; Y206-W496 WeakPolarHBondContact O-CZ2 3.48Å; Y206-W496 PolarHBondContact O-NE1 3.36Å; P209-W496 HydrophobicContact CB-CD2 3.5Å; P209-W496 VanDerWaalsContact CB-CD2 3.5Å; P209-W496 HydrophobicContact CB-CE3 3.63Å; P209-W496 HydrophobicContact CB-CG 4.06Å; P209-W496 HydrophobicContact CB-CH2 3.99Å; P209-W496 HydrophobicContact CB-CZ2 3.86Å; P209-W496 HydrophobicContact CB-CZ3 3.88Å; P209-W496 HydrophobicContact CG-CD2 3.71Å; P209-W496 HydrophobicContact CG-CE3 4.36Å; P209-W496 HydrophobicContact CG-CG 3.84Å; P209-W496 HydrophobicContact CG-CZ2 4.15Å; L210-W496 HydrophobicContact CD2-CH2 3.66Å; L210-W496 HydrophobicContact CD2-CZ3 4.29Å; L210-W496 HydrophobicContact CG-CH2 3.78Å; L210-W496 HydrophobicContact CG-CZ2 4.39Å; Y492-W496 WeakPolarHBondContact O-CB 3.46Å; Y492-W496 PolarHBondContact O-N 2.85Å; L493-W496 HydrophobicContact CD1-CE3 3.85Å; L493-W496 HydrophobicContact CD1-CZ3 4.13Å; L493-W496 PolarHBondContact O-N 2.97Å; M494-W496 VanDerWaalsContact C-N 3.28Å; M494-W496 PolarHBondContact O-N 3.09Å; W496-V498 VanDerWaalsContact C-N 3.31Å; W496-V498 PolarHBondContact O-N 3.33Å; W496-A499 PolarHBondContact O-N 3.01Å; W496-D500 PolarHBondContact NE1-OD2 3.26Å; W496-D500 WeakPolarHBondContact O-CB 3.49Å; W496-D500 PolarHBondContact O-N 3.44Å
497	I	95.8	Very high	95.3	Very high	90 Å²	90	60.1 Å²	60.1	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-57.6	-46.9	-178.6	-68.1	167.3	0	0	0	110.7	L493 M494 D500 C501	L493-I497 HydrophobicContact CD1-CD1 3.99Å; L493-I497 HydrophobicContact CD1-CG1 4.34Å; L493-I497 HydrophobicContact CG-CD1 3.95Å; L493-I497 VanDerWaalsContact O-CG1 3.31Å; L493-I497 WeakPolarHBondContact O-CG1 3.49Å; L493-I497 PolarHBondContact O-N 3.39Å; M494-I497 PolarHBondContact O-N 3.17Å; I497-D500 PolarHBondContact O-N 2.94Å; I497-C501 WeakPolarHBondContact O-CB 3.13Å; I497-C501 PolarHBondContact O-N 3.02Å; I497-C501 PolarHBondContact O-SG 3.45Å
498	V	96.3	Very high	95.3	Very high	81 Å²	81	63.1 Å²	63.1	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-46.4	-178	172.7	0	0	0	0	111.1	M494 W496 D500 C501 V502	M494-V498 HydrophobicContact CG-CG2 4.41Å; M494-V498 WeakPolarHBondContact O-CB 3.42Å; M494-V498 VanDerWaalsContact O-CG2 3.26Å; M494-V498 WeakPolarHBondContact O-CG2 3.28Å; M494-V498 PolarHBondContact O-N 2.97Å; W496-V498 VanDerWaalsContact C-N 3.31Å; W496-V498 PolarHBondContact O-N 3.33Å; V498-D500 VanDerWaalsContact C-N 3.33Å; V498-D500 PolarHBondContact O-N 3.43Å; V498-C501 PolarHBondContact O-N 3.02Å; V498-V502 HydrophobicContact CG1-CG2 4.2Å; V498-V502 WeakPolarHBondContact O-CB 3.48Å; V498-V502 VanDerWaalsContact O-CG2 3.24Å; V498-V502 WeakPolarHBondContact O-CG2 3.17Å; V498-V502 PolarHBondContact O-N 3.31Å
499	A	95.6	Very high	95.3	Very high	24 Å²	24	68 Å²	68	20%	0.198	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-44.2	179.5	0	0	0	0	0	111.6	I495 W496 S503	I495-A499 WeakPolarHBondContact O-CB 3.48Å; I495-A499 PolarHBondContact O-N 3Å; W496-A499 PolarHBondContact O-N 3.01Å; A499-S503 WeakPolarHBondContact O-CB 3.34Å; A499-S503 PolarHBondContact O-N 3.34Å
500	D	95.6	Very high	95.3	Very high	19 Å²	19	65.8 Å²	65.8	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-43.6	180	-75.6	6.2	0	0	0	111.8	H164 Y206 W496 I497 V498 S503 F504	H164-D500 IonicContact CE1-OD1 3.85Å; Y206-D500 VanDerWaalsContact CA-OD2 3.24Å; Y206-D500 WeakPolarHBondContact CA-OD2 3.35Å; Y206-D500 WeakPolarHBondContact CB-OD2 3.49Å; Y206-D500 HydrophobicContact CD1-CB 3.88Å; Y206-D500 VanDerWaalsContact CD1-OD1 3.3Å; Y206-D500 WeakPolarHBondContact CD1-OD1 3.47Å; Y206-D500 WeakPolarHBondContact CD1-OD2 3.48Å; Y206-D500 HydrophobicContact CE1-CB 4.11Å; Y206-D500 HydrophobicContact CG-CB 4.31Å; W496-D500 PolarHBondContact NE1-OD2 3.26Å; W496-D500 WeakPolarHBondContact O-CB 3.49Å; W496-D500 PolarHBondContact O-N 3.44Å; I497-D500 PolarHBondContact O-N 2.94Å; V498-D500 VanDerWaalsContact C-N 3.33Å; V498-D500 PolarHBondContact O-N 3.43Å; D500-S503 PolarHBondContact O-N 2.83Å; D500-F504 WeakPolarHBondContact O-CB 3.34Å; D500-F504 PolarHBondContact O-N 3.48Å
501	C	97.1	Very high	95.3	Very high	69 Å²	69	64 Å²	64	47%	0.466	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.7	-74.2	0	0	0	0	111.9	I497 V498 F504 L505	I497-C501 WeakPolarHBondContact O-CB 3.13Å; I497-C501 PolarHBondContact O-N 3.02Å; I497-C501 PolarHBondContact O-SG 3.45Å; V498-C501 PolarHBondContact O-N 3.02Å; C501-F504 PolarHBondContact O-N 2.9Å; C501-L505 WeakPolarHBondContact O-CG 3.33Å; C501-L505 PolarHBondContact O-N 3.44Å
502	V	97.3	Very high	95.2	Very high	82 Å²	82	66.1 Å²	66.1	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-45.9	177.9	170.7	0	0	0	0	110.4	V498 F504 L505 M506	V498-V502 HydrophobicContact CG1-CG2 4.2Å; V498-V502 WeakPolarHBondContact O-CB 3.48Å; V498-V502 VanDerWaalsContact O-CG2 3.24Å; V498-V502 WeakPolarHBondContact O-CG2 3.17Å; V498-V502 PolarHBondContact O-N 3.31Å; V502-F504 VanDerWaalsContact C-N 3.35Å; V502-F504 PolarHBondContact O-N 2.89Å; V502-L505 PolarHBondContact O-N 3.42Å; V502-M506 HydrophobicContact CG1-CG 4.23Å; V502-M506 WeakPolarHBondContact O-CB 3.49Å; V502-M506 VanDerWaalsContact O-CG 3.27Å; V502-M506 WeakPolarHBondContact O-CG 3.27Å; V502-M506 PolarHBondContact O-N 3.17Å
503	S	97.6	Very high	95.1	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-49.7	175.6	170.1	0	0	0	0	111.2	T172 Y206 A499 D500 L505 M506 I507	T172-S503 VanDerWaalsContact OG1-CB 3.3Å; T172-S503 WeakPolarHBondContact OG1-CB 3.32Å; T172-S503 PolarHBondContact OG1-OG 3.24Å; Y206-S503 WeakPolarHBondContact OH-CB 3.34Å; Y206-S503 PolarHBondContact OH-OG 2.95Å; A499-S503 WeakPolarHBondContact O-CB 3.34Å; A499-S503 PolarHBondContact O-N 3.34Å; D500-S503 PolarHBondContact O-N 2.83Å; S503-L505 PolarHBondContact O-N 3.48Å; S503-M506 PolarHBondContact O-N 3.43Å; S503-I507 WeakPolarHBondContact O-CB 3.44Å; S503-I507 WeakPolarHBondContact O-CG1 3.46Å; S503-I507 PolarHBondContact O-N 3.39Å
504	F	97.3	Very high	94.8	Very high	117 Å²	117	64.1 Å²	64.1	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-47.5	179.6	177.2	-97.7	0	0	0	112.4	Y206 D500 C501 V502 M506 I507 L508	Y206-F504 PolarHBondContact OH-N 3.31Å; D500-F504 WeakPolarHBondContact O-CB 3.34Å; D500-F504 PolarHBondContact O-N 3.48Å; C501-F504 PolarHBondContact O-N 2.9Å; V502-F504 VanDerWaalsContact C-N 3.35Å; V502-F504 PolarHBondContact O-N 2.89Å; F504-M506 PolarHBondContact O-N 2.96Å; F504-I507 PolarHBondContact O-N 3.46Å; F504-L508 WeakPolarHBondContact O-CB 3.48Å; F504-L508 PolarHBondContact O-N 3.29Å
505	L	97.3	Very high	94.4	Very high	110 Å²	110	63 Å²	63	58%	0.576	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-41.7	178.3	-69.1	174.5	0	0	0	111.9	C501 V502 S503 L508 W509	C501-L505 WeakPolarHBondContact O-CG 3.33Å; C501-L505 PolarHBondContact O-N 3.44Å; V502-L505 PolarHBondContact O-N 3.42Å; S503-L505 PolarHBondContact O-N 3.48Å; L505-L508 PolarHBondContact O-N 2.99Å; L505-W509 VanDerWaalsContact O-CB 3.27Å; L505-W509 WeakPolarHBondContact O-CB 3.35Å; L505-W509 PolarHBondContact O-N 3.41Å
506	M	96.3	Very high	94	Very high	88 Å²	88	65.8 Å²	65.8	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-40.2	178.1	-74.4	-61	-67	0	0	112.4	T172 V502 S503 F504 W509 A510	T172-M506 HydrophobicContact CG2-CB 3.62Å; V502-M506 HydrophobicContact CG1-CG 4.23Å; V502-M506 WeakPolarHBondContact O-CB 3.49Å; V502-M506 VanDerWaalsContact O-CG 3.27Å; V502-M506 WeakPolarHBondContact O-CG 3.27Å; V502-M506 PolarHBondContact O-N 3.17Å; S503-M506 PolarHBondContact O-N 3.43Å; F504-M506 PolarHBondContact O-N 2.96Å; M506-W509 HydrophobicContact CE-CE3 4.2Å; M506-W509 HydrophobicContact CE-CZ3 4.22Å; M506-W509 PolarHBondContact O-N 3.26Å; M506-A510 WeakPolarHBondContact O-CB 3.32Å; M506-A510 PolarHBondContact O-N 2.99Å
507	I	96.1	Very high	93.3	Very high	20 Å²	20	67 Å²	67	10%	0.103	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-51.5	173.6	-69.3	166.1	0	0	0	109.5	T172 A175 Y198 M202 S503 F504 W509 A510 F511	T172-I507 HydrophobicContact CG2-CG1 4.14Å; A175-I507 HydrophobicContact CB-CB 4.31Å; A175-I507 HydrophobicContact CB-CG1 3.85Å; A175-I507 HydrophobicContact CB-CG2 4.22Å; Y198-I507 HydrophobicContact CE1-CD1 4.26Å; Y198-I507 HydrophobicContact CE1-CG2 4.09Å; Y198-I507 WeakPolarHBondContact OH-CD1 3.38Å; M202-I507 HydrophobicContact CE-CD1 3.64Å; M202-I507 HydrophobicContact CG-CD1 4.3Å; M202-I507 HydrophobicContact SD-CD1 4.2Å; S503-I507 WeakPolarHBondContact O-CB 3.44Å; S503-I507 WeakPolarHBondContact O-CG1 3.46Å; S503-I507 PolarHBondContact O-N 3.39Å; F504-I507 PolarHBondContact O-N 3.46Å; I507-W509 VanDerWaalsContact C-N 3.3Å; I507-W509 PolarHBondContact O-N 2.89Å; I507-A510 PolarHBondContact O-N 3.44Å; I507-F511 HydrophobicContact CG2-CD2 3.94Å; I507-F511 HydrophobicContact CG2-CE2 4.01Å; I507-F511 WeakPolarHBondContact O-CD2 3.14Å; I507-F511 PolarHBondContact O-N 2.88Å
508	L	94.9	Very high	92.2	Very high	85 Å²	85	64.3 Å²	64.3	45%	0.445	34%	0.335	S	S	.	.	H	α-helix	trans	-56.8	-47.1	179.2	-177.8	67.5	0	0	0	111	F504 L505 A510 F511 L512	F504-L508 WeakPolarHBondContact O-CB 3.48Å; F504-L508 PolarHBondContact O-N 3.29Å; L505-L508 PolarHBondContact O-N 2.99Å; L508-A510 PolarHBondContact O-N 2.87Å; L508-F511 PolarHBondContact O-N 2.92Å; L508-L512 HydrophobicContact CD1-CD1 4.43Å; L508-L512 HydrophobicContact CG-CD1 4.05Å; L508-L512 HydrophobicContact CG-CG 4.5Å; L508-L512 WeakPolarHBondContact O-CB 3.34Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.31Å; L508-L512 PolarHBondContact O-N 3.44Å
509	W	94.8	Very high	90.9	Very high	141 Å²	141	66.8 Å²	66.8	53%	0.534	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-45.2	177.6	179.8	81.8	0	0	0	112.3	L505 M506 I507 F511 L512 L513	L505-W509 VanDerWaalsContact O-CB 3.27Å; L505-W509 WeakPolarHBondContact O-CB 3.35Å; L505-W509 PolarHBondContact O-N 3.41Å; M506-W509 HydrophobicContact CE-CE3 4.2Å; M506-W509 HydrophobicContact CE-CZ3 4.22Å; M506-W509 PolarHBondContact O-N 3.26Å; I507-W509 VanDerWaalsContact C-N 3.3Å; I507-W509 PolarHBondContact O-N 2.89Å; W509-F511 PolarHBondContact O-N 3.44Å; W509-L512 PolarHBondContact O-N 3.26Å; W509-L513 HydrophobicContact CD2-CD1 3.66Å; W509-L513 HydrophobicContact CD2-CG 4.08Å; W509-L513 HydrophobicContact CE3-CD1 3.84Å; W509-L513 HydrophobicContact CG-CG 4.47Å; W509-L513 HydrophobicContact CH2-CD1 3.39Å; W509-L513 HydrophobicContact CZ2-CD1 3.19Å; W509-L513 HydrophobicContact CZ2-CG 4.19Å; W509-L513 HydrophobicContact CZ3-CD1 3.7Å; W509-L513 WeakPolarHBondContact O-CB 3.37Å; W509-L513 WeakPolarHBondContact O-CG 3.43Å; W509-L513 PolarHBondContact O-N 2.94Å
510	A	92.2	Very high	89.2	Confident	7 Å²	7	74.4 Å²	74.4	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-46.7	176.7	0	0	0	0	0	111.6	A175 W176 M506 I507 L508 L512 L513 V514	A175-A510 HydrophobicContact CB-CB 4.42Å; W176-A510 HydrophobicContact CE3-CB 4.16Å; M506-A510 WeakPolarHBondContact O-CB 3.32Å; M506-A510 PolarHBondContact O-N 2.99Å; I507-A510 PolarHBondContact O-N 3.44Å; L508-A510 PolarHBondContact O-N 2.87Å; A510-L512 PolarHBondContact O-N 3.35Å; A510-L513 PolarHBondContact O-N 2.96Å; A510-V514 VanDerWaalsContact O-CG2 3.28Å; A510-V514 WeakPolarHBondContact O-CG2 3.46Å; A510-V514 PolarHBondContact O-N 3.33Å
511	F	92.6	Very high	87.3	Confident	29 Å²	29	80.7 Å²	80.7	13%	0.127	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-38.6	177.6	-86.9	-97.7	0	0	0	112.6	A175 L178 A179 I182 Y183 L195 I507 L508 W509 K515	A175-F511 HydrophobicContact CB-CE2 4.26Å; L178-F511 HydrophobicContact CD2-CZ 4.5Å; A179-F511 HydrophobicContact CB-CD1 3.71Å; A179-F511 HydrophobicContact CB-CD2 3.97Å; A179-F511 HydrophobicContact CB-CE1 3.78Å; A179-F511 HydrophobicContact CB-CE2 4.04Å; A179-F511 HydrophobicContact CB-CG 3.83Å; A179-F511 HydrophobicContact CB-CZ 3.95Å; I182-F511 HydrophobicContact CD1-CE1 4.12Å; I182-F511 HydrophobicContact CD1-CZ 4.35Å; Y183-F511 HydrophobicContact CE2-CD1 4.32Å; Y183-F511 WeakPolarHBondContact CE2-O 3.35Å; L195-F511 HydrophobicContact CD1-CE1 4.13Å; L195-F511 HydrophobicContact CD1-CZ 4.26Å; I507-F511 HydrophobicContact CG2-CD2 3.94Å; I507-F511 HydrophobicContact CG2-CE2 4.01Å; I507-F511 WeakPolarHBondContact O-CD2 3.14Å; I507-F511 PolarHBondContact O-N 2.88Å; L508-F511 PolarHBondContact O-N 2.92Å; W509-F511 PolarHBondContact O-N 3.44Å; F511-K515 WeakPolarHBondContact O-CB 3.39Å; F511-K515 PolarHBondContact O-N 3.45Å
512	L	91.4	Very high	85	Confident	96 Å²	96	84 Å²	84	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-68.7	-42.4	176.8	-71.3	175.8	0	0	0	112.6	L508 W509 A510 K515 K516	L508-L512 HydrophobicContact CD1-CD1 4.43Å; L508-L512 HydrophobicContact CG-CD1 4.05Å; L508-L512 HydrophobicContact CG-CG 4.5Å; L508-L512 WeakPolarHBondContact O-CB 3.34Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.31Å; L508-L512 PolarHBondContact O-N 3.44Å; W509-L512 PolarHBondContact O-N 3.26Å; A510-L512 PolarHBondContact O-N 3.35Å; L512-K515 WeakPolarHBondContact O-CB 3.37Å; L512-K515 PolarHBondContact O-N 3.14Å; L512-K516 PolarHBondContact O-N 3.09Å
513	L	90.1	Very high	82.4	Confident	50 Å²	50	83.8 Å²	83.8	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-48.2	176.2	-79.4	-170.6	0	0	0	111.6	W176 W509 A510 K515 K516 C517	W176-L513 HydrophobicContact CH2-CB 4.45Å; W176-L513 HydrophobicContact CZ3-CB 3.94Å; W176-L513 HydrophobicContact CZ3-CD1 3.91Å; W509-L513 HydrophobicContact CD2-CD1 3.66Å; W509-L513 HydrophobicContact CD2-CG 4.08Å; W509-L513 HydrophobicContact CE3-CD1 3.84Å; W509-L513 HydrophobicContact CG-CG 4.47Å; W509-L513 HydrophobicContact CH2-CD1 3.39Å; W509-L513 HydrophobicContact CZ2-CD1 3.19Å; W509-L513 HydrophobicContact CZ2-CG 4.19Å; W509-L513 HydrophobicContact CZ3-CD1 3.7Å; W509-L513 WeakPolarHBondContact O-CB 3.37Å; W509-L513 WeakPolarHBondContact O-CG 3.43Å; W509-L513 PolarHBondContact O-N 2.94Å; A510-L513 PolarHBondContact O-N 2.96Å; L513-K515 VanDerWaalsContact C-N 3.29Å; L513-K515 PolarHBondContact O-N 3.48Å; L513-K516 PolarHBondContact O-N 3.35Å; L513-C517 WeakPolarHBondContact O-CB 3.27Å; L513-C517 PolarHBondContact O-N 3.5Å; L513-C517 PolarHBondContact O-SG 3.44Å; L513-C517 VanDerWaalsContact O-SG 3.35Å
514	V	87	Confident	79.8	Confident	11 Å²	11	87 Å²	87	7%	0.067	42%	0.421	C	S	.	.	H	α-helix	trans	-63.4	-38.4	178.5	177.8	0	0	0	0	110.7	W176 A179 Y183 A510 K516 C517 S518	W176-V514 HydrophobicContact CD2-CG2 4.09Å; W176-V514 HydrophobicContact CE3-CG2 3.97Å; W176-V514 HydrophobicContact CH2-CG2 4.2Å; W176-V514 HydrophobicContact CZ2-CG2 4.3Å; W176-V514 HydrophobicContact CZ3-CG2 4.03Å; A179-V514 HydrophobicContact CB-CB 4.2Å; A179-V514 HydrophobicContact CB-CG1 4.4Å; A179-V514 HydrophobicContact CB-CG2 4.14Å; Y183-V514 HydrophobicContact CD2-CB 4.11Å; Y183-V514 HydrophobicContact CD2-CG1 3.51Å; Y183-V514 HydrophobicContact CE2-CB 4.36Å; Y183-V514 HydrophobicContact CE2-CG1 4.24Å; Y183-V514 HydrophobicContact CG-CG1 4.25Å; A510-V514 VanDerWaalsContact O-CG2 3.28Å; A510-V514 WeakPolarHBondContact O-CG2 3.46Å; A510-V514 PolarHBondContact O-N 3.33Å; V514-K516 PolarHBondContact O-N 3.01Å; V514-C517 PolarHBondContact O-N 2.91Å; V514-S518 WeakPolarHBondContact O-CB 3.32Å; V514-S518 PolarHBondContact O-N 2.95Å
515	K	87.3	Confident	77.2	Confident	93 Å²	93	88.3 Å²	88.3	40%	0.404	43%	0.429	S	S	.	.	H	α-helix	trans	-57.5	-47.5	172.6	-167.8	177.8	-177.8	175.1	0	111.9	Y183 F511 L512 L513 S518 K519	Y183-K515 HydrophobicContact CE1-CB 4.04Å; Y183-K515 HydrophobicContact CE1-CG 3.89Å; Y183-K515 HydrophobicContact CE2-CB 4.1Å; Y183-K515 WeakPolarHBondContact OH-CB 3.3Å; F511-K515 WeakPolarHBondContact O-CB 3.39Å; F511-K515 PolarHBondContact O-N 3.45Å; L512-K515 WeakPolarHBondContact O-CB 3.37Å; L512-K515 PolarHBondContact O-N 3.14Å; L513-K515 VanDerWaalsContact C-N 3.29Å; L513-K515 PolarHBondContact O-N 3.48Å; K515-S518 PolarHBondContact O-N 3.27Å; K515-K519 WeakPolarHBondContact O-CG 3.49Å; K515-K519 PolarHBondContact O-N 2.94Å
516	K	86	Confident	74.7	Confident	121 Å²	121	86.4 Å²	86.4	53%	0.526	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-43	179.1	-171.4	176.5	-178.1	176.7	0	111.5	L512 L513 V514 R520	L512-K516 PolarHBondContact O-N 3.09Å; L513-K516 PolarHBondContact O-N 3.35Å; V514-K516 PolarHBondContact O-N 3.01Å; K516-R520 PolarHBondContact O-N 3.39Å; K516-R520 VanDerWaalsContact O-N 3.09Å
517	C	80.3	Confident	72.4	Confident	70 Å²	70	89 Å²	89	47%	0.473	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-37.2	175.9	-70.2	0	0	0	0	112.6	L513 V514 R521	L513-C517 WeakPolarHBondContact O-CB 3.27Å; L513-C517 PolarHBondContact O-N 3.5Å; L513-C517 PolarHBondContact O-SG 3.44Å; L513-C517 VanDerWaalsContact O-SG 3.35Å; V514-C517 PolarHBondContact O-N 2.91Å; C517-R521 PolarHBondContact O-N 3.17Å
518	S	74.2	Confident	70.3	Confident	35 Å²	35	91.5 Å²	91.5	25%	0.245	45%	0.452	C	S	.	.	H	α-helix	trans	-66.9	-47.8	175.7	-172.8	0	0	0	0	111.5	V514 K515 R520 R521 Q522	V514-S518 WeakPolarHBondContact O-CB 3.32Å; V514-S518 PolarHBondContact O-N 2.95Å; K515-S518 PolarHBondContact O-N 3.27Å; S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 2.77Å; S518-R521 PolarHBondContact O-N 3.25Å; S518-Q522 PolarHBondContact O-N 2.86Å
519	K	68.9	Low	68.2	Low	133 Å²	133	92.2 Å²	92.2	58%	0.578	46%	0.456	S	S	*	.	H	α-helix	trans	-59.8	-35.5	176.3	-76.9	-172.3	174.1	-166.2	0	113.2	K515 R521 Q522 P523	K515-K519 WeakPolarHBondContact O-CG 3.49Å; K515-K519 PolarHBondContact O-N 2.94Å; K519-R521 VanDerWaalsContact C-N 3.27Å; K519-R521 PolarHBondContact O-N 3.46Å; K519-Q522 PolarHBondContact O-N 3.49Å; K519-P523 WeakPolarHBondContact O-CD 3.35Å
520	R	59.4	Low	66.3	Low	184 Å²	184	89.8 Å²	89.8	69%	0.694	46%	0.457	S	S	*	.	H	α-helix	trans	-70.2	-17.9	175.4	-80.1	-176.8	177.5	-178.5	-3.1	114.2	K516 S518 P523	K516-R520 PolarHBondContact O-N 3.39Å; K516-R520 VanDerWaalsContact O-N 3.09Å; S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 2.77Å; R520-P523 VanDerWaalsContact C-CD 3.4Å; R520-P523 WeakPolarHBondContact O-CD 2.75Å
521	R	54.6	Low	64.6	Low	151 Å²	151	94.4 Å²	94.4	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-87.1	-22.7	175.3	-74.4	-179.9	178.6	-175.7	-1.2	113.3	C517 S518 K519	C517-R521 PolarHBondContact O-N 3.17Å; S518-R521 PolarHBondContact O-N 3.25Å; K519-R521 VanDerWaalsContact C-N 3.27Å; K519-R521 PolarHBondContact O-N 3.46Å
522	Q	49.2	Very low	62.9	Low	139 Å²	139	97.7 Å²	97.7	65%	0.65	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.1	178.1	-76.7	-176.2	-40.8	0	0	117.7	S518 K519 A524	S518-Q522 PolarHBondContact O-N 2.86Å; K519-Q522 PolarHBondContact O-N 3.49Å; Q522-A524 VanDerWaalsContact C-N 3.35Å; Q522-A524 PolarHBondContact O-N 3.4Å
523	P	43.7	Very low	61.4	Low	76 Å²	76	97.7 Å²	97.7	49%	0.494	50%	0.503	S	S	.	.	H	α-helix	trans	-79.6	-13	-177.6	-9.4	27.1	0	0	0	114.3	K519 R520	K519-P523 WeakPolarHBondContact O-CD 3.35Å; R520-P523 VanDerWaalsContact C-CD 3.4Å; R520-P523 WeakPolarHBondContact O-CD 2.75Å
524	A	41.5	Very low	60.2	Low	71 Å²	71	102 Å²	102	59%	0.587	52%	0.519	S	S	*	.	H	α-helix	trans	-91.9	-20.4	-171.6	0	0	0	0	0	114.7	Q522 T528	Q522-A524 VanDerWaalsContact C-N 3.35Å; Q522-A524 PolarHBondContact O-N 3.4Å; A524-T528 PolarHBondContact O-OG1 3.31Å
525	E	43.6	Very low	59.3	Low	144 Å²	144	105.6 Å²	105.6	67%	0.673	54%	0.537	S	S	*	.	H	α-helix	trans	-87.6	-32.8	179.1	-86.4	176.9	164	0	0	112.4	T528 D529	E525-T528 PolarHBondContact O-N 3.43Å; E525-T528 PolarHBondContact O-OG1 3.46Å; E525-D529 PolarHBondContact O-N 2.99Å; E525-D529 VanDerWaalsContact O-N 3.09Å
526	S	45.6	Very low	58.2	Low	71 Å²	71	105.8 Å²	105.8	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-72.7	-31.8	-178.2	72.4	0	0	0	0	113.5	V530	S526-V530 WeakPolarHBondContact O-CB 3.49Å; S526-V530 WeakPolarHBondContact O-CG2 3.37Å; S526-V530 PolarHBondContact O-N 3Å; S526-V530 VanDerWaalsContact O-N 3.08Å
527	E	46.8	Very low	57.3	Low	142 Å²	142	103 Å²	103	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-70.4	-38.3	175.6	-88.7	-174.3	155.2	0	0	112.1	L531	E527-L531 VanDerWaalsContact O-CB 3.31Å; E527-L531 WeakPolarHBondContact O-CB 3.5Å; E527-L531 PolarHBondContact O-N 2.97Å
528	T	51.4	Low	56.8	Low	73 Å²	73	105.6 Å²	105.6	45%	0.448	55%	0.547	S	S	.	.	H	α-helix	trans	-69.3	-38.4	176.5	38.2	0	0	0	0	112.8	A524 E525 L531 L532	A524-T528 PolarHBondContact O-OG1 3.31Å; E525-T528 PolarHBondContact O-N 3.43Å; E525-T528 PolarHBondContact O-OG1 3.46Å; T528-L531 PolarHBondContact O-N 2.97Å; T528-L532 WeakPolarHBondContact O-CB 3.13Å; T528-L532 WeakPolarHBondContact O-CG 3.22Å; T528-L532 PolarHBondContact O-N 3.08Å
529	D	50.8	Low	56.3	Low	99 Å²	99	110.7 Å²	110.7	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-70.1	-38.6	176.8	-78.1	-19	0	0	0	111.2	E525 L532 T533	E525-D529 PolarHBondContact O-N 2.99Å; E525-D529 VanDerWaalsContact O-N 3.09Å; D529-L532 PolarHBondContact O-N 3.29Å; D529-T533 WeakPolarHBondContact O-CB 3.43Å; D529-T533 PolarHBondContact O-N 3.45Å; D529-T533 PolarHBondContact O-OG1 2.86Å
530	V	55.5	Low	55.9	Low	91 Å²	91	112.8 Å²	112.8	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-67.2	-38.4	174.9	172.1	0	0	0	0	111.5	S526 T533 K534	S526-V530 WeakPolarHBondContact O-CB 3.49Å; S526-V530 WeakPolarHBondContact O-CG2 3.37Å; S526-V530 PolarHBondContact O-N 3Å; S526-V530 VanDerWaalsContact O-N 3.08Å; V530-T533 PolarHBondContact O-N 3.49Å; V530-K534 WeakPolarHBondContact O-CB 3.44Å; V530-K534 PolarHBondContact O-N 3.08Å
531	L	56.2	Low	55.4	Low	104 Å²	104	114.7 Å²	114.7	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-66	-44.3	173.3	-93.2	155.9	0	0	0	112.4	E527 T528 T533 K534 I535	E527-L531 VanDerWaalsContact O-CB 3.31Å; E527-L531 WeakPolarHBondContact O-CB 3.5Å; E527-L531 PolarHBondContact O-N 2.97Å; T528-L531 PolarHBondContact O-N 2.97Å; L531-T533 VanDerWaalsContact C-N 3.31Å; L531-T533 PolarHBondContact O-N 3.11Å; L531-K534 PolarHBondContact O-N 3.31Å; L531-I535 WeakPolarHBondContact O-CB 3.39Å; L531-I535 VanDerWaalsContact O-CG1 3.22Å; L531-I535 WeakPolarHBondContact O-CG1 3.44Å; L531-I535 PolarHBondContact O-N 2.9Å
532	L	57.1	Low	55.4	Low	97 Å²	97	112.9 Å²	112.9	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-64.1	-36.7	176	-87.4	157.5	0	0	0	112	T528 D529 I535 N536	T528-L532 WeakPolarHBondContact O-CB 3.13Å; T528-L532 WeakPolarHBondContact O-CG 3.22Å; T528-L532 PolarHBondContact O-N 3.08Å; D529-L532 PolarHBondContact O-N 3.29Å; L532-I535 PolarHBondContact O-N 3.43Å; L532-N536 WeakPolarHBondContact O-CB 3.35Å; L532-N536 PolarHBondContact O-N 3.13Å
533	T	60.3	Low	55.8	Low	97 Å²	97	111.5 Å²	111.5	60%	0.595	60%	0.596	S	S	*	*	H	α-helix	trans	-69	-39.9	176.4	-44.2	0	0	0	0	111.2	D529 V530 L531 S537	D529-T533 WeakPolarHBondContact O-CB 3.43Å; D529-T533 PolarHBondContact O-N 3.45Å; D529-T533 PolarHBondContact O-OG1 2.86Å; V530-T533 PolarHBondContact O-N 3.49Å; L531-T533 VanDerWaalsContact C-N 3.31Å; L531-T533 PolarHBondContact O-N 3.11Å; T533-S537 PolarHBondContact O-N 3.5Å; T533-S537 VanDerWaalsContact O-N 3.07Å
534	K	65.1	Low	56.4	Low	141 Å²	141	113.5 Å²	113.5	61%	0.613	60%	0.602	S	S	*	*	H	α-helix	trans	-68.1	-36.9	173.8	-98.3	-177.4	173	-178.7	0	113.6	V530 L531 S537 L538	V530-K534 WeakPolarHBondContact O-CB 3.44Å; V530-K534 PolarHBondContact O-N 3.08Å; L531-K534 PolarHBondContact O-N 3.31Å; K534-S537 PolarHBondContact O-N 3.46Å; K534-S537 PolarHBondContact O-OG 2.97Å; K534-L538 WeakPolarHBondContact O-CG 3.39Å; K534-L538 PolarHBondContact O-N 3.5Å; K534-L538 VanDerWaalsContact O-N 3.13Å
535	I	67.9	Low	57.3	Low	86 Å²	86	116 Å²	116	44%	0.441	60%	0.603	S	S	.	*	H	α-helix	trans	-68.7	-41.9	176.8	-70.7	165.5	0	0	0	110	L531 L532 S537 L538 M539	L531-I535 WeakPolarHBondContact O-CB 3.39Å; L531-I535 VanDerWaalsContact O-CG1 3.22Å; L531-I535 WeakPolarHBondContact O-CG1 3.44Å; L531-I535 PolarHBondContact O-N 2.9Å; L532-I535 PolarHBondContact O-N 3.43Å; I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 2.59Å; I535-L538 PolarHBondContact O-N 3.45Å; I535-M539 HydrophobicContact CG2-SD 4.34Å; I535-M539 WeakPolarHBondContact O-CG 3.4Å; I535-M539 PolarHBondContact O-N 3.47Å; I535-M539 VanDerWaalsContact O-N 3.11Å
536	N	63.8	Low	58.2	Low	97 Å²	97	114.3 Å²	114.3	52%	0.519	60%	0.598	S	S	.	*	H	α-helix	trans	-66	-33.4	176.1	-81.8	-14.7	0	0	0	113.1	L532 M539	L532-N536 WeakPolarHBondContact O-CB 3.35Å; L532-N536 PolarHBondContact O-N 3.13Å; N536-M539 PolarHBondContact O-N 3.07Å
537	S	68.2	Low	59	Low	63 Å²	63	117.1 Å²	117.1	44%	0.441	61%	0.605	S	S	.	*	H	α-helix	trans	-71.3	-33.8	174.6	69.5	0	0	0	0	112.7	T533 K534 I535 M539 Q540	T533-S537 PolarHBondContact O-N 3.5Å; T533-S537 VanDerWaalsContact O-N 3.07Å; K534-S537 PolarHBondContact O-N 3.46Å; K534-S537 PolarHBondContact O-OG 2.97Å; I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 2.59Å; S537-M539 VanDerWaalsContact C-N 3.3Å; S537-Q540 PolarHBondContact O-N 3.42Å
538	L	67.9	Low	59.9	Low	123 Å²	123	115.4 Å²	115.4	64%	0.644	60%	0.601	S	S	*	*	H	α-helix	trans	-76.5	-14.6	176.2	-75.1	167.5	0	0	0	113.7	K534 I535	K534-L538 WeakPolarHBondContact O-CG 3.39Å; K534-L538 PolarHBondContact O-N 3.5Å; K534-L538 VanDerWaalsContact O-N 3.13Å; I535-L538 PolarHBondContact O-N 3.45Å
539	M	64.6	Low	60.5	Low	143 Å²	143	118.6 Å²	118.6	70%	0.704	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-2.3	173.8	-74.1	-171.6	60.5	0	0	113.2	I535 N536 S537	I535-M539 HydrophobicContact CG2-SD 4.34Å; I535-M539 WeakPolarHBondContact O-CG 3.4Å; I535-M539 PolarHBondContact O-N 3.47Å; I535-M539 VanDerWaalsContact O-N 3.11Å; N536-M539 PolarHBondContact O-N 3.07Å; S537-M539 VanDerWaalsContact C-N 3.3Å
540	Q	60.8	Low	61.3	Low	177 Å²	177	120.3 Å²	120.3	83%	0.827	62%	0.62	S	S	*	*			trans	-108.1	-4.1	178.7	-77.5	-174.3	-35	0	0	113.8	S537	S537-Q540 PolarHBondContact O-N 3.42Å
541	E	48.8	Very low	61.9	Low	224 Å²	224	122.9 Å²	122.9	100%	1.047	63%	0.626	S	S	*	*			trans	-96.5	0	160.8	-71.7	-177.1	165.1	0	0	109.5

Retrieved 541 of 541 residues in 126.1 ms (Link to these results)

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