A0A5K4F1W8_SCHMA Loading...

Fidgetin-like protein 1

AlphaFold DB , UniProt , Accession A0A5K4F1W8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	45.5	Very low	231 Å²	231	131.5 Å²	131.5	100%	1.138	66%	0.657	S	S	*	*				0	10.1	0	-80.2	-165.5	161.8	0	0	113.4
2	S	34.4	Very low	46.9	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	65%	0.649	S	S	*	*			trans	-91	-0.1	-167.2	44.4	0	0	0	0	116.4
3	E	33.7	Very low	48	Very low	190 Å²	190	125.8 Å²	125.8	89%	0.888	62%	0.617	S	S	*	*	S	Bend	trans	-112.6	-6	-176	-76.6	-177.7	160.9	0	0	115.3	N5	E3-N5 PolarHBondContact O-N 3.49Å; E3-N5 VanDerWaalsContact O-N 3.13Å
4	V	41.3	Very low	49.1	Very low	124 Å²	124	122.9 Å²	122.9	75%	0.752	60%	0.596	S	S	*	*	S	Bend	trans	-77.6	5.4	176	-172.6	0	0	0	0	111.7	K6	V4-K6 PolarHBondContact O-N 3.38Å
5	N	43.1	Very low	50.2	Low	132 Å²	132	125.1 Å²	125.1	71%	0.706	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	10.5	-148.7	-130.6	3.3	0	0	0	117.2	E3	E3-N5 PolarHBondContact O-N 3.49Å; E3-N5 VanDerWaalsContact O-N 3.13Å
6	K	43.4	Very low	51.1	Low	206 Å²	206	121.8 Å²	121.8	90%	0.896	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	10.2	175	-70.9	-166.1	-179.7	177.1	0	115.9	V4 N8	V4-K6 PolarHBondContact O-N 3.38Å; K6-N8 PolarHBondContact O-N 3.16Å
7	E	43	Very low	51.6	Low	120 Å²	120	119.1 Å²	119.1	56%	0.561	57%	0.57	S	S	*	*	S	Bend	trans	-71.3	115.9	165.6	-83.2	-173.6	160.9	0	0	107.4	R9	E7-R9 PolarHBondContact O-N 3.43Å; E7-R9 VanDerWaalsContact O-N 3.12Å
8	N	57.9	Low	52.2	Low	97 Å²	97	115.7 Å²	115.7	52%	0.519	55%	0.553	S	S	.	*			trans	-48.8	119.9	176.9	-170	-4.7	0	0	0	107.6	K6 A10 E11 Y12	K6-N8 PolarHBondContact O-N 3.16Å; N8-A10 PolarHBondContact O-N 3.22Å; N8-E11 WeakPolarHBondContact O-CA 3.32Å; N8-E11 VanDerWaalsContact O-CB 3.27Å; N8-E11 WeakPolarHBondContact O-CB 3.27Å; N8-E11 PolarHBondContact O-N 3.28Å; N8-Y12 PolarHBondContact O-N 3.47Å
9	R	55	Low	52.9	Low	149 Å²	149	114.3 Å²	114.3	56%	0.562	56%	0.557	S	S	*	*	H	α-helix	trans	-55.2	-26.1	-176.6	-82.4	174	163.7	173.2	-6	112.1	E7 E11 Y12 I13 N49	E7-R9 PolarHBondContact O-N 3.43Å; E7-R9 VanDerWaalsContact O-N 3.12Å; R9-E11 VanDerWaalsContact C-N 3.31Å; R9-E11 PolarHBondContact O-N 3.28Å; R9-Y12 WeakPolarHBondContact O-CB 3.5Å; R9-Y12 PolarHBondContact O-N 3.47Å; R9-Y12 VanDerWaalsContact O-N 3.11Å; R9-I13 WeakPolarHBondContact O-CG1 3.39Å; R9-I13 PolarHBondContact O-N 3.15Å; R9-N49 PolarHBondContact NH1-ND2 2.85Å
10	A	55.4	Low	53.3	Low	11 Å²	11	116 Å²	116	9%	0.091	56%	0.563	C	S	.	*	H	α-helix	trans	-52.9	-44.1	168.2	0	0	0	0	0	112.9	N8 I13 R14 A38	N8-A10 PolarHBondContact O-N 3.22Å; A10-I13 PolarHBondContact O-N 3.07Å; A10-R14 WeakPolarHBondContact O-CB 3.39Å; A10-R14 PolarHBondContact O-N 3.41Å; A10-A38 HydrophobicContact CB-CB 4.36Å
11	E	60.4	Low	53.5	Low	82 Å²	82	114.7 Å²	114.7	38%	0.383	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-38.7	174.6	-99	-97.9	142.8	0	0	112.1	N8 R9 R14 R15	N8-E11 WeakPolarHBondContact O-CA 3.32Å; N8-E11 VanDerWaalsContact O-CB 3.27Å; N8-E11 WeakPolarHBondContact O-CB 3.27Å; N8-E11 PolarHBondContact O-N 3.28Å; R9-E11 VanDerWaalsContact C-N 3.31Å; R9-E11 PolarHBondContact O-N 3.28Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.39Å; E11-R15 PolarHBondContact O-N 3.32Å
12	Y	62.2	Low	54.6	Low	144 Å²	144	107.7 Å²	107.7	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-48.1	176.1	179.8	-103	0	0	0	111.7	N8 R9 R14 R15 I16	N8-Y12 PolarHBondContact O-N 3.47Å; R9-Y12 WeakPolarHBondContact O-CB 3.5Å; R9-Y12 PolarHBondContact O-N 3.47Å; R9-Y12 VanDerWaalsContact O-N 3.11Å; Y12-R14 VanDerWaalsContact C-N 3.29Å; Y12-R14 PolarHBondContact O-N 3.5Å; Y12-R15 PolarHBondContact O-N 3.18Å; Y12-I16 HydrophobicContact CD1-CD1 3.85Å; Y12-I16 HydrophobicContact CE1-CD1 3.28Å; Y12-I16 HydrophobicContact CE1-CG1 4.39Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 PolarHBondContact O-N 3.45Å; Y12-I16 VanDerWaalsContact O-N 3.1Å
13	I	61	Low	55.5	Low	45 Å²	45	111.9 Å²	111.9	23%	0.231	54%	0.539	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175.8	-63.7	170.6	0	0	0	110.1	R9 A10 R15 I16 L17 L34 Y37	R9-I13 WeakPolarHBondContact O-CG1 3.39Å; R9-I13 PolarHBondContact O-N 3.15Å; A10-I13 PolarHBondContact O-N 3.07Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.02Å; I13-I16 PolarHBondContact O-N 3.17Å; I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 PolarHBondContact O-N 3.16Å; I13-L34 HydrophobicContact CB-CD2 3.99Å; I13-L34 HydrophobicContact CG2-CD2 3.7Å; I13-Y37 HydrophobicContact CD1-CD1 3.82Å; I13-Y37 HydrophobicContact CD1-CE1 3.24Å
14	R	63.1	Low	56.3	Low	84 Å²	84	110 Å²	110	32%	0.317	52%	0.523	S	S	.	.	H	α-helix	trans	-56.1	-46.7	175	-165.4	177.2	-163.9	-149.7	4.6	111.5	A10 E11 Y12 L17 F18 D31 L34	A10-R14 WeakPolarHBondContact O-CB 3.39Å; A10-R14 PolarHBondContact O-N 3.41Å; E11-R14 WeakPolarHBondContact O-CB 3.15Å; E11-R14 PolarHBondContact O-N 3.39Å; Y12-R14 VanDerWaalsContact C-N 3.29Å; Y12-R14 PolarHBondContact O-N 3.5Å; R14-L17 PolarHBondContact O-N 3.26Å; R14-F18 HydrophobicContact CG-CD2 3.57Å; R14-F18 HydrophobicContact CG-CE2 3.39Å; R14-F18 WeakPolarHBondContact O-CB 3.32Å; R14-F18 WeakPolarHBondContact O-CD2 3.32Å; R14-F18 PolarHBondContact O-N 3.48Å; R14-D31 IonicContact CZ-OD1 3.43Å; R14-D31 VanDerWaalsContact CZ-OD1 3.3Å; R14-D31 IonicContact NE-OD1 3.48Å; R14-D31 PolarHBondContact NE-OD1 2.69Å; R14-D31 VanDerWaalsContact NE-OD1 3.12Å; R14-D31 IonicContact NH2-OD1 3.22Å; R14-D31 PolarHBondContact NH2-OD1 2.91Å; R14-D31 IonicContact NH2-OD2 3.56Å; R14-D31 PolarHBondContact NH2-OD2 3.04Å; R14-D31 VanDerWaalsContact NH2-OD2 3.13Å; R14-L34 HydrophobicContact CB-CD1 3.65Å; R14-L34 HydrophobicContact CG-CD1 3.69Å
15	R	66.2	Low	56.8	Low	157 Å²	157	112.9 Å²	112.9	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-62.1	-44.2	176.5	-86	-176.3	171.5	165.4	2.5	112.5	E11 Y12 I13 F18 S19	E11-R15 PolarHBondContact O-N 3.32Å; Y12-R15 PolarHBondContact O-N 3.18Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.02Å; R15-F18 PolarHBondContact O-N 2.95Å; R15-S19 WeakPolarHBondContact O-CB 3.04Å; R15-S19 PolarHBondContact O-N 3.4Å; R15-S19 PolarHBondContact O-OG 3.13Å
16	I	64.7	Low	57.3	Low	72 Å²	72	114.3 Å²	114.3	37%	0.369	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-48.5	178.7	-68	173.2	0	0	0	110.6	Y12 I13 F18 S19 Q20	Y12-I16 HydrophobicContact CD1-CD1 3.85Å; Y12-I16 HydrophobicContact CE1-CD1 3.28Å; Y12-I16 HydrophobicContact CE1-CG1 4.39Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 PolarHBondContact O-N 3.45Å; Y12-I16 VanDerWaalsContact O-N 3.1Å; I13-I16 PolarHBondContact O-N 3.17Å; I16-F18 VanDerWaalsContact C-N 3.34Å; I16-F18 PolarHBondContact O-N 3.04Å; I16-S19 PolarHBondContact O-N 3.28Å; I16-S19 PolarHBondContact O-OG 2.98Å; I16-S19 VanDerWaalsContact O-OG 3.06Å; I16-Q20 WeakPolarHBondContact O-CB 3.39Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 2.76Å; I16-Q20 VanDerWaalsContact O-N 3.15Å
17	L	58.9	Low	57.7	Low	75 Å²	75	107.6 Å²	107.6	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-44.5	179.6	-79.5	168.2	0	0	0	111.3	I13 R14 Q20 L21 V30	I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 PolarHBondContact O-N 3.16Å; R14-L17 PolarHBondContact O-N 3.26Å; L17-Q20 PolarHBondContact O-N 3.2Å; L17-L21 PolarHBondContact O-N 3.47Å; L17-V30 HydrophobicContact CD1-CG1 4.45Å
18	F	62.6	Low	58.2	Low	59 Å²	59	108 Å²	108	26%	0.259	51%	0.511	S	S	.	.	H	α-helix	trans	-78.1	-23	-179.8	-71.6	-51.8	0	0	0	114.5	R14 R15 I16 R25 V30	R14-F18 HydrophobicContact CG-CD2 3.57Å; R14-F18 HydrophobicContact CG-CE2 3.39Å; R14-F18 WeakPolarHBondContact O-CB 3.32Å; R14-F18 WeakPolarHBondContact O-CD2 3.32Å; R14-F18 PolarHBondContact O-N 3.48Å; R15-F18 PolarHBondContact O-N 2.95Å; I16-F18 VanDerWaalsContact C-N 3.34Å; I16-F18 PolarHBondContact O-N 3.04Å; F18-R25 HydrophobicContact CD1-CG 4.5Å; F18-R25 HydrophobicContact CE1-CG 4.46Å; F18-V30 HydrophobicContact CE1-CG2 4.46Å; F18-V30 HydrophobicContact CE2-CG1 4.37Å; F18-V30 HydrophobicContact CZ-CB 4.1Å; F18-V30 HydrophobicContact CZ-CG1 3.96Å; F18-V30 HydrophobicContact CZ-CG2 4.42Å
19	S	64.6	Low	58.3	Low	89 Å²	89	108.4 Å²	108.4	62%	0.622	51%	0.514	S	S	*	.	H	α-helix	trans	-71.8	-34	172	74.9	0	0	0	0	111.7	R15 I16	R15-S19 WeakPolarHBondContact O-CB 3.04Å; R15-S19 PolarHBondContact O-N 3.4Å; R15-S19 PolarHBondContact O-OG 3.13Å; I16-S19 PolarHBondContact O-N 3.28Å; I16-S19 PolarHBondContact O-OG 2.98Å; I16-S19 VanDerWaalsContact O-OG 3.06Å
20	Q	60.8	Low	58.5	Low	148 Å²	148	102.5 Å²	102.5	69%	0.692	49%	0.494	S	S	*	.	H	α-helix	trans	-79.8	-31	179.7	-67.2	-85.6	-14.3	0	0	112.1	I16 L17	I16-Q20 WeakPolarHBondContact O-CB 3.39Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 2.76Å; I16-Q20 VanDerWaalsContact O-N 3.15Å; L17-Q20 PolarHBondContact O-N 3.2Å
21	L	58.9	Low	58.8	Low	88 Å²	88	105.9 Å²	105.9	46%	0.461	51%	0.511	S	S	.	.			trans	-131.5	68.3	-173.5	-66.8	167.8	0	0	0	112.8	L17 E23 R24	L17-L21 PolarHBondContact O-N 3.47Å; L21-E23 VanDerWaalsContact C-N 3.28Å; L21-E23 PolarHBondContact O-N 2.72Å; L21-R24 PolarHBondContact O-N 2.65Å
22	P	55.4	Low	59	Low	85 Å²	85	106.3 Å²	106.3	55%	0.552	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-63.6	-31	-178	22.7	-31.4	0	0	0	113.5
23	E	53.9	Low	58.8	Low	193 Å²	193	104.1 Å²	104.1	90%	0.902	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-81.6	-12.7	-174.5	-64	-168.4	169.2	0	0	114.4	L21	L21-E23 VanDerWaalsContact C-N 3.28Å; L21-E23 PolarHBondContact O-N 2.72Å
24	R	51	Low	59	Low	151 Å²	151	102.7 Å²	102.7	57%	0.57	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-98.8	24	-177.3	-74	-161.5	-176.2	-170.7	3.6	114.6	L21 N26 A27	L21-R24 PolarHBondContact O-N 2.65Å; R24-N26 PolarHBondContact O-N 3.42Å; R24-A27 HydrophobicContact CB-CB 4.49Å; R24-A27 PolarHBondContact O-N 2.84Å
25	R	51.3	Low	59	Low	184 Å²	184	101.6 Å²	101.6	69%	0.694	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-31.6	178.7	-78.2	-176.1	179.2	-164.4	-0.2	114.3	F18	F18-R25 HydrophobicContact CD1-CG 4.5Å; F18-R25 HydrophobicContact CE1-CG 4.46Å
26	N	53.2	Low	58.9	Low	161 Å²	161	99.4 Å²	99.4	86%	0.861	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-2.6	-172	-66.6	-3.4	0	0	0	114.7	R24	R24-N26 PolarHBondContact O-N 3.42Å
27	A	52.3	Low	59	Low	66 Å²	66	101 Å²	101	55%	0.545	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-21	-168.5	0	0	0	0	0	114.2	R24	R24-A27 HydrophobicContact CB-CB 4.49Å; R24-A27 PolarHBondContact O-N 2.84Å
28	F	53.1	Low	59.3	Low	128 Å²	128	98.4 Å²	98.4	56%	0.561	50%	0.499	S	S	*	.	S	Bend	trans	-134.1	140	178.4	-87.4	-95.5	0	0	0	108.4	V30 L33	F28-V30 HydrophobicContact CB-CG2 3.95Å; F28-V30 PolarHBondContact O-N 3.14Å; F28-L33 HydrophobicContact CD1-CD1 4.5Å
29	D	59.8	Low	59.5	Low	106 Å²	106	102 Å²	102	57%	0.567	52%	0.517	S	S	*	.			trans	-72.4	69.1	168.3	-156.2	-11.6	0	0	0	108.1	D31 L32 L33	D29-D31 PolarHBondContact O-N 3.03Å; D29-L32 HydrophobicContact CB-CB 3.96Å; D29-L32 WeakPolarHBondContact O-CB 3.41Å; D29-L32 PolarHBondContact O-N 3.04Å; D29-L32 PolarHBondContact OD1-N 3.32Å; D29-L33 PolarHBondContact O-N 3.13Å
30	V	60	Low	59.4	Low	25 Å²	25	103.3 Å²	103.3	15%	0.152	52%	0.516	C	S	.	.	H	α-helix	trans	-58.3	-31.4	-177.9	174.4	0	0	0	0	109.6	L17 F18 F28 L33 L34	L17-V30 HydrophobicContact CD1-CG1 4.45Å; F18-V30 HydrophobicContact CE1-CG2 4.46Å; F18-V30 HydrophobicContact CE2-CG1 4.37Å; F18-V30 HydrophobicContact CZ-CB 4.1Å; F18-V30 HydrophobicContact CZ-CG1 3.96Å; F18-V30 HydrophobicContact CZ-CG2 4.42Å; F28-V30 HydrophobicContact CB-CG2 3.95Å; F28-V30 PolarHBondContact O-N 3.14Å; V30-L33 PolarHBondContact O-N 3.49Å; V30-L34 HydrophobicContact CG1-CD1 3.72Å; V30-L34 HydrophobicContact CG1-CG 4.16Å; V30-L34 VanDerWaalsContact O-CB 3.28Å; V30-L34 WeakPolarHBondContact O-CB 3.28Å; V30-L34 VanDerWaalsContact O-CG 3.23Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.12Å
31	D	61.4	Low	59.6	Low	81 Å²	81	97 Å²	97	43%	0.433	49%	0.488	S	S	.	.	H	α-helix	trans	-67.1	-38.4	176.3	-72.6	-19.7	0	0	0	111.4	R14 D29 S35	R14-D31 IonicContact CZ-OD1 3.43Å; R14-D31 VanDerWaalsContact CZ-OD1 3.3Å; R14-D31 IonicContact NE-OD1 3.48Å; R14-D31 PolarHBondContact NE-OD1 2.69Å; R14-D31 VanDerWaalsContact NE-OD1 3.12Å; R14-D31 IonicContact NH2-OD1 3.22Å; R14-D31 PolarHBondContact NH2-OD1 2.91Å; R14-D31 IonicContact NH2-OD2 3.56Å; R14-D31 PolarHBondContact NH2-OD2 3.04Å; R14-D31 VanDerWaalsContact NH2-OD2 3.13Å; D29-D31 PolarHBondContact O-N 3.03Å; D31-S35 WeakPolarHBondContact O-CB 3.36Å; D31-S35 PolarHBondContact O-N 2.89Å; D31-S35 PolarHBondContact O-OG 3.36Å
32	L	63.5	Low	59.7	Low	91 Å²	91	95.2 Å²	95.2	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-49.2	173.3	-173	68.1	0	0	0	111.7	D29 L34 S35 E36	D29-L32 HydrophobicContact CB-CB 3.96Å; D29-L32 WeakPolarHBondContact O-CB 3.41Å; D29-L32 PolarHBondContact O-N 3.04Å; D29-L32 PolarHBondContact OD1-N 3.32Å; L32-L34 PolarHBondContact O-N 3.12Å; L32-S35 PolarHBondContact O-N 3.04Å; L32-S35 VanDerWaalsContact O-N 3.14Å; L32-S35 PolarHBondContact O-OG 3.33Å; L32-E36 PolarHBondContact O-N 3.05Å
33	L	59.2	Low	60	Low	99 Å²	99	93.5 Å²	93.5	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-38.8	178.9	-80.6	169.8	0	0	0	112.8	F28 D29 V30 S35 E36 Y37	F28-L33 HydrophobicContact CD1-CD1 4.5Å; D29-L33 PolarHBondContact O-N 3.13Å; V30-L33 PolarHBondContact O-N 3.49Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-E36 PolarHBondContact O-N 3.41Å; L33-Y37 VanDerWaalsContact O-CB 3.29Å; L33-Y37 WeakPolarHBondContact O-CB 3.41Å; L33-Y37 PolarHBondContact O-N 2.87Å
34	L	64.3	Low	60.2	Low	15 Å²	15	92.3 Å²	92.3	8%	0.079	46%	0.461	C	S	.	.	H	α-helix	trans	-66.6	-34.8	174.7	-76.9	170	0	0	0	111.5	I13 R14 V30 L32 A38	I13-L34 HydrophobicContact CB-CD2 3.99Å; I13-L34 HydrophobicContact CG2-CD2 3.7Å; R14-L34 HydrophobicContact CB-CD1 3.65Å; R14-L34 HydrophobicContact CG-CD1 3.69Å; V30-L34 HydrophobicContact CG1-CD1 3.72Å; V30-L34 HydrophobicContact CG1-CG 4.16Å; V30-L34 VanDerWaalsContact O-CB 3.28Å; V30-L34 WeakPolarHBondContact O-CB 3.28Å; V30-L34 VanDerWaalsContact O-CG 3.23Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.12Å; L32-L34 PolarHBondContact O-N 3.12Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.32Å; L34-A38 PolarHBondContact O-N 3.21Å
35	S	62.8	Low	60.7	Low	60 Å²	60	92.3 Å²	92.3	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-44.5	174.9	76.1	0	0	0	0	111.8	D31 L32 L33 A38 E39	D31-S35 WeakPolarHBondContact O-CB 3.36Å; D31-S35 PolarHBondContact O-N 2.89Å; D31-S35 PolarHBondContact O-OG 3.36Å; L32-S35 PolarHBondContact O-N 3.04Å; L32-S35 VanDerWaalsContact O-N 3.14Å; L32-S35 PolarHBondContact O-OG 3.33Å; L33-S35 VanDerWaalsContact C-N 3.3Å; S35-A38 PolarHBondContact O-N 3.21Å; S35-E39 WeakPolarHBondContact O-CB 3.41Å; S35-E39 PolarHBondContact O-N 3.33Å
36	E	65.4	Low	61.2	Low	111 Å²	111	90.9 Å²	90.9	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-41.5	174.2	-74.8	-175	163.1	0	0	111.6	L32 L33 E39 L40	L32-E36 PolarHBondContact O-N 3.05Å; L33-E36 PolarHBondContact O-N 3.41Å; E36-E39 PolarHBondContact O-N 3.23Å; E36-L40 WeakPolarHBondContact O-CB 3.43Å; E36-L40 PolarHBondContact O-N 3.28Å
37	Y	67	Low	61.6	Low	105 Å²	105	83.2 Å²	83.2	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-46.9	175	179.9	-89.8	0	0	0	111.4	I13 L33 E39 L40 V41	I13-Y37 HydrophobicContact CD1-CD1 3.82Å; I13-Y37 HydrophobicContact CD1-CE1 3.24Å; L33-Y37 VanDerWaalsContact O-CB 3.29Å; L33-Y37 WeakPolarHBondContact O-CB 3.41Å; L33-Y37 PolarHBondContact O-N 2.87Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.27Å; Y37-L40 PolarHBondContact O-N 2.82Å; Y37-V41 HydrophobicContact CD1-CB 4.48Å; Y37-V41 HydrophobicContact CD1-CG2 4.39Å; Y37-V41 HydrophobicContact CD2-CG2 4.02Å; Y37-V41 HydrophobicContact CE1-CB 4.11Å; Y37-V41 HydrophobicContact CE1-CG1 4.26Å; Y37-V41 HydrophobicContact CE1-CG2 4.07Å; Y37-V41 HydrophobicContact CE2-CG2 3.69Å; Y37-V41 HydrophobicContact CG-CG2 4.36Å; Y37-V41 VanDerWaalsContact O-CB 3.29Å; Y37-V41 WeakPolarHBondContact O-CB 3.37Å; Y37-V41 WeakPolarHBondContact O-CG2 3.36Å; Y37-V41 PolarHBondContact O-N 2.99Å
38	A	65.6	Low	62.1	Low	22 Å²	22	84.8 Å²	84.8	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-37.7	177.6	0	0	0	0	0	111.6	A10 L34 S35 D42 N43	A10-A38 HydrophobicContact CB-CB 4.36Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.32Å; L34-A38 PolarHBondContact O-N 3.21Å; S35-A38 PolarHBondContact O-N 3.21Å; A38-D42 CarbonylContact O-C 3.43Å; A38-D42 WeakPolarHBondContact O-CA 2.99Å; A38-D42 PolarHBondContact O-N 2.84Å; A38-N43 PolarHBondContact O-N 3.27Å
39	E	65.2	Low	62.6	Low	135 Å²	135	81 Å²	81	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-72.5	-30.7	178.5	-160.2	172.4	-155.1	0	0	113	S35 E36 Y37 N43	S35-E39 WeakPolarHBondContact O-CB 3.41Å; S35-E39 PolarHBondContact O-N 3.33Å; E36-E39 PolarHBondContact O-N 3.23Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.27Å; E39-N43 WeakPolarHBondContact O-CB 3.4Å
40	L	63	Low	62.7	Low	115 Å²	115	78.8 Å²	78.8	60%	0.602	39%	0.392	S	S	*	.	H	α-helix	trans	-79.6	-39.4	175.8	-164.2	83.6	0	0	0	112.4	E36 Y37 G47 I48	E36-L40 WeakPolarHBondContact O-CB 3.43Å; E36-L40 PolarHBondContact O-N 3.28Å; Y37-L40 PolarHBondContact O-N 2.82Å; L40-G47 WeakPolarHBondContact O-CA 3.48Å; L40-I48 HydrophobicContact CD2-CD1 4.2Å; L40-I48 HydrophobicContact CG-CD1 4.19Å; L40-I48 PolarHBondContact O-N 3.09Å
41	V	65.5	Low	62.9	Low	17 Å²	17	85.3 Å²	85.3	10%	0.103	42%	0.415	C	S	.	.	H	α-helix	trans	-97.2	-45.5	-167.9	176.6	0	0	0	0	112.2	Y37 G47 I48 N49	Y37-V41 HydrophobicContact CD1-CB 4.48Å; Y37-V41 HydrophobicContact CD1-CG2 4.39Å; Y37-V41 HydrophobicContact CD2-CG2 4.02Å; Y37-V41 HydrophobicContact CE1-CB 4.11Å; Y37-V41 HydrophobicContact CE1-CG1 4.26Å; Y37-V41 HydrophobicContact CE1-CG2 4.07Å; Y37-V41 HydrophobicContact CE2-CG2 3.69Å; Y37-V41 HydrophobicContact CG-CG2 4.36Å; Y37-V41 VanDerWaalsContact O-CB 3.29Å; Y37-V41 WeakPolarHBondContact O-CB 3.37Å; Y37-V41 WeakPolarHBondContact O-CG2 3.36Å; Y37-V41 PolarHBondContact O-N 2.99Å; V41-G47 CarbonylContact O-C 3.48Å; V41-G47 WeakPolarHBondContact O-CA 3.31Å; V41-I48 PolarHBondContact O-N 3.2Å; V41-N49 WeakPolarHBondContact CG1-ND2 2.96Å; V41-N49 WeakPolarHBondContact O-CB 3.32Å; V41-N49 PolarHBondContact O-N 2.75Å
42	D	60.5	Low	62.9	Low	49 Å²	49	83.6 Å²	83.6	26%	0.262	41%	0.412	S	S	.	.	S	Bend	trans	-111.5	10.9	-170	-74.6	-20.4	0	0	0	113.5	A38 M44 N49	A38-D42 CarbonylContact O-C 3.43Å; A38-D42 WeakPolarHBondContact O-CA 2.99Å; A38-D42 PolarHBondContact O-N 2.84Å; D42-M44 PolarHBondContact O-N 2.71Å; D42-N49 PolarHBondContact OD1-ND2 3.05Å
43	N	62.4	Low	62.7	Low	49 Å²	49	84.7 Å²	84.7	26%	0.262	41%	0.414	S	S	.	.			trans	-62.5	123.7	174.6	178	-23.2	0	0	0	111.5	A38 E39 K45 Y46 G47 N50	A38-N43 PolarHBondContact O-N 3.27Å; E39-N43 WeakPolarHBondContact O-CB 3.4Å; N43-K45 PolarHBondContact O-N 3.34Å; N43-K45 PolarHBondContact OD1-N 2.86Å; N43-Y46 PolarHBondContact O-N 2.86Å; N43-G47 VanDerWaalsContact O-CA 3.27Å; N43-G47 WeakPolarHBondContact O-CA 3.16Å; N43-G47 PolarHBondContact O-N 3.4Å; N43-N50 PolarHBondContact O-ND2 3.37Å
44	M	58.6	Low	62.8	Low	169 Å²	169	81.5 Å²	81.5	83%	0.833	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22	-177.6	-73.9	-73.3	-71	0	0	115.1	D42 N50	D42-M44 PolarHBondContact O-N 2.71Å; M44-N50 VanDerWaalsContact C-ND2 3.27Å; M44-N50 PolarHBondContact O-ND2 3.12Å; M44-N50 VanDerWaalsContact O-ND2 3.1Å
45	K	59.8	Low	62.8	Low	150 Å²	150	83.6 Å²	83.6	65%	0.652	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-44.3	177.7	-84.5	-175.5	174.7	-178.9	0	113.8	N43	N43-K45 PolarHBondContact O-N 3.34Å; N43-K45 PolarHBondContact OD1-N 2.86Å
46	Y	62.4	Low	62.7	Low	154 Å²	154	86.5 Å²	86.5	60%	0.604	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	2.6	-168	-52.1	-71.1	0	0	0	114	N43 I48	N43-Y46 PolarHBondContact O-N 2.86Å; Y46-I48 PolarHBondContact O-N 3.43Å
47	G	61.3	Low	62.6	Low	0 Å²	0	89.6 Å²	89.6	0%	0	44%	0.442	C	S	.	.			trans	-60.5	135.7	-179.9	0	0	0	0	0	111.3	L40 V41 N43 N49 N50	L40-G47 WeakPolarHBondContact O-CA 3.48Å; V41-G47 CarbonylContact O-C 3.48Å; V41-G47 WeakPolarHBondContact O-CA 3.31Å; N43-G47 VanDerWaalsContact O-CA 3.27Å; N43-G47 WeakPolarHBondContact O-CA 3.16Å; N43-G47 PolarHBondContact O-N 3.4Å; G47-N49 PolarHBondContact O-N 3.06Å; G47-N49 VanDerWaalsContact O-N 3.11Å; G47-N50 WeakPolarHBondContact O-CB 3.35Å; G47-N50 PolarHBondContact O-N 3Å
48	I	62.5	Low	62.3	Low	100 Å²	100	90.9 Å²	90.9	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-54.3	-33.1	-179.9	-66.2	163	0	0	0	111.2	L40 V41 Y46 N50 Y51 A52	L40-I48 HydrophobicContact CD2-CD1 4.2Å; L40-I48 HydrophobicContact CG-CD1 4.19Å; L40-I48 PolarHBondContact O-N 3.09Å; V41-I48 PolarHBondContact O-N 3.2Å; Y46-I48 PolarHBondContact O-N 3.43Å; I48-N50 VanDerWaalsContact C-N 3.33Å; I48-N50 PolarHBondContact O-N 3.2Å; I48-Y51 PolarHBondContact O-N 3.42Å; I48-A52 PolarHBondContact O-N 2.82Å
49	N	65	Low	62	Low	47 Å²	47	92.5 Å²	92.5	25%	0.251	47%	0.469	S	S	.	.	H	α-helix	trans	-66.4	-28.7	179.8	-76.2	-19.7	0	0	0	114.1	R9 V41 D42 G47 Y51 A52 E53	R9-N49 PolarHBondContact NH1-ND2 2.85Å; V41-N49 WeakPolarHBondContact CG1-ND2 2.96Å; V41-N49 WeakPolarHBondContact O-CB 3.32Å; V41-N49 PolarHBondContact O-N 2.75Å; D42-N49 PolarHBondContact OD1-ND2 3.05Å; G47-N49 PolarHBondContact O-N 3.06Å; G47-N49 VanDerWaalsContact O-N 3.11Å; N49-Y51 VanDerWaalsContact C-N 3.27Å; N49-Y51 PolarHBondContact O-N 2.98Å; N49-A52 WeakPolarHBondContact O-CB 3.23Å; N49-A52 PolarHBondContact O-N 3.01Å; N49-A52 VanDerWaalsContact O-N 3.14Å; N49-E53 PolarHBondContact O-N 3.14Å
50	N	61.6	Low	61.8	Low	60 Å²	60	93.9 Å²	93.9	32%	0.321	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-34.8	176	-67.3	-27.2	0	0	0	111.5	N43 M44 G47 I48 G54	N43-N50 PolarHBondContact O-ND2 3.37Å; M44-N50 VanDerWaalsContact C-ND2 3.27Å; M44-N50 PolarHBondContact O-ND2 3.12Å; M44-N50 VanDerWaalsContact O-ND2 3.1Å; G47-N50 WeakPolarHBondContact O-CB 3.35Å; G47-N50 PolarHBondContact O-N 3Å; I48-N50 VanDerWaalsContact C-N 3.33Å; I48-N50 PolarHBondContact O-N 3.2Å; N50-G54 PolarHBondContact O-N 2.97Å; N50-G54 VanDerWaalsContact O-N 3.08Å
51	Y	63.2	Low	61.6	Low	162 Å²	162	91.7 Å²	91.7	64%	0.635	48%	0.481	S	S	*	.	H	α-helix	trans	-70.6	-36.3	173.5	-68.3	-80.3	0	0	0	111.5	I48 N49 G54 A55	I48-Y51 PolarHBondContact O-N 3.42Å; N49-Y51 VanDerWaalsContact C-N 3.27Å; N49-Y51 PolarHBondContact O-N 2.98Å; Y51-G54 PolarHBondContact O-N 3.02Å; Y51-A55 VanDerWaalsContact O-CB 3.32Å; Y51-A55 WeakPolarHBondContact O-CB 3.29Å; Y51-A55 PolarHBondContact O-N 3.16Å
52	A	62.2	Low	60.9	Low	45 Å²	45	94 Å²	94	37%	0.372	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-42.3	175.5	0	0	0	0	0	111.9	I48 N49 A55 L56	I48-A52 PolarHBondContact O-N 2.82Å; N49-A52 WeakPolarHBondContact O-CB 3.23Å; N49-A52 PolarHBondContact O-N 3.01Å; N49-A52 VanDerWaalsContact O-N 3.14Å; A52-A55 PolarHBondContact O-N 3.17Å; A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 WeakPolarHBondContact O-CG 3.17Å; A52-L56 PolarHBondContact O-N 3.23Å
53	E	60.3	Low	60.2	Low	114 Å²	114	101.6 Å²	101.6	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-40	176.3	-163.3	-179.2	-177.2	0	0	111.7	N49 A55 L56 R57	N49-E53 PolarHBondContact O-N 3.14Å; E53-A55 PolarHBondContact O-N 3.47Å; E53-L56 PolarHBondContact O-N 3.28Å; E53-R57 PolarHBondContact O-N 2.84Å
54	G	61.5	Low	59.3	Low	33 Å²	33	103.3 Å²	103.3	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-43.4	171.8	0	0	0	0	0	112.8	N50 Y51 R57 L58	N50-G54 PolarHBondContact O-N 2.97Å; N50-G54 VanDerWaalsContact O-N 3.08Å; Y51-G54 PolarHBondContact O-N 3.02Å; G54-R57 PolarHBondContact O-N 3.4Å; G54-L58 WeakPolarHBondContact O-CG 3.42Å; G54-L58 PolarHBondContact O-N 2.88Å
55	A	63.2	Low	58.8	Low	59 Å²	59	105.1 Å²	105.1	49%	0.488	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.5	0	0	0	0	0	112.2	Y51 A52 E53 L58 A59	Y51-A55 VanDerWaalsContact O-CB 3.32Å; Y51-A55 WeakPolarHBondContact O-CB 3.29Å; Y51-A55 PolarHBondContact O-N 3.16Å; A52-A55 PolarHBondContact O-N 3.17Å; E53-A55 PolarHBondContact O-N 3.47Å; A55-L58 PolarHBondContact O-N 2.91Å; A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 3.48Å
56	L	60.6	Low	58.1	Low	120 Å²	120	100.7 Å²	100.7	63%	0.628	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-42.6	175.6	-78.4	166	0	0	0	112	A52 E53 L58 A59 E60	A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 WeakPolarHBondContact O-CG 3.17Å; A52-L56 PolarHBondContact O-N 3.23Å; E53-L56 PolarHBondContact O-N 3.28Å; L56-L58 PolarHBondContact O-N 3.23Å; L56-A59 CarbonylContact O-C 3.48Å; L56-A59 WeakPolarHBondContact O-CA 3.5Å; L56-A59 WeakPolarHBondContact O-CB 3.3Å; L56-A59 PolarHBondContact O-N 3.33Å; L56-A59 VanDerWaalsContact O-N 3.11Å; L56-E60 PolarHBondContact O-N 3.4Å
57	R	63	Low	57.1	Low	177 Å²	177	101.1 Å²	101.1	67%	0.668	54%	0.544	S	S	*	.	H	α-helix	trans	-62.1	-41.1	174.5	-98.4	-176.5	171.4	154.8	1.6	112.9	E53 G54 A59 E60 G61	E53-R57 PolarHBondContact O-N 2.84Å; G54-R57 PolarHBondContact O-N 3.4Å; R57-A59 VanDerWaalsContact C-N 3.26Å; R57-A59 PolarHBondContact O-N 3.49Å; R57-E60 PolarHBondContact O-N 3.38Å; R57-G61 PolarHBondContact O-N 3.5Å
58	L	60.6	Low	56.1	Low	131 Å²	131	108.7 Å²	108.7	69%	0.686	58%	0.579	S	S	*	*	H	α-helix	trans	-64.4	-34.5	174	-73.6	169.9	0	0	0	111.4	G54 A55 L56 C62	G54-L58 WeakPolarHBondContact O-CG 3.42Å; G54-L58 PolarHBondContact O-N 2.88Å; A55-L58 PolarHBondContact O-N 2.91Å; L56-L58 PolarHBondContact O-N 3.23Å; L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 3.4Å
59	A	59.6	Low	55.1	Low	56 Å²	56	113.5 Å²	113.5	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-71.1	-39.3	175	0	0	0	0	0	112.5	A55 L56 R57 G61 C62	A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 3.48Å; L56-A59 CarbonylContact O-C 3.48Å; L56-A59 WeakPolarHBondContact O-CA 3.5Å; L56-A59 WeakPolarHBondContact O-CB 3.3Å; L56-A59 PolarHBondContact O-N 3.33Å; L56-A59 VanDerWaalsContact O-N 3.11Å; R57-A59 VanDerWaalsContact C-N 3.26Å; R57-A59 PolarHBondContact O-N 3.49Å; A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 2.93Å; A59-C62 PolarHBondContact O-N 2.99Å; A59-C62 VanDerWaalsContact O-N 3.11Å; A59-C62 VanDerWaalsContact O-O 3.08Å
60	E	60.8	Low	53.9	Low	164 Å²	164	122.4 Å²	122.4	77%	0.766	62%	0.621	S	S	*	*	H	α-helix	trans	-62.6	-36.8	176.2	-79.1	-175.3	162.2	0	0	112.7	L56 R57 C62	L56-E60 PolarHBondContact O-N 3.4Å; R57-E60 PolarHBondContact O-N 3.38Å; E60-C62 PolarHBondContact O-N 3.39Å
61	G	58.5	Low	53	Low	69 Å²	69	123.9 Å²	123.9	71%	0.711	64%	0.635	S	S	*	*	H	α-helix	trans	-70.4	-20.2	175.6	0	0	0	0	0	113.7	R57 A59	R57-G61 PolarHBondContact O-N 3.5Å; A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 2.93Å
62	C	51.9	Low	52.2	Low	65 Å²	65	120.4 Å²	120.4	44%	0.439	64%	0.64	S	S	.	*			trans	-93.3	99.2	177.3	-64.7	0	0	0	0	109.5	L58 A59 E60 N64	L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 3.4Å; A59-C62 PolarHBondContact O-N 2.99Å; A59-C62 VanDerWaalsContact O-N 3.11Å; A59-C62 VanDerWaalsContact O-O 3.08Å; E60-C62 PolarHBondContact O-N 3.39Å; C62-N64 PolarHBondContact O-N 2.88Å
63	K	44.7	Very low	51.3	Low	209 Å²	209	124.4 Å²	124.4	91%	0.909	65%	0.653	S	S	*	*			trans	-63.4	81	160.3	-74	-174.1	178.3	-179.1	0	108.8
64	N	45	Very low	51.1	Low	85 Å²	85	122.4 Å²	122.4	46%	0.455	65%	0.648	S	S	.	*			trans	-90.6	114.3	-179	-83.6	-23.1	0	0	0	109.7	C62 S66 W69	C62-N64 PolarHBondContact O-N 2.88Å; N64-S66 PolarHBondContact O-N 3.34Å; N64-W69 WeakPolarHBondContact ND2-CZ2 3.46Å
65	E	47	Very low	50.6	Low	207 Å²	207	126.3 Å²	126.3	97%	0.967	67%	0.665	S	S	*	*			trans	-73	33.8	172.9	-61.7	-171.1	158.6	0	0	113.1
66	S	45	Very low	50.2	Low	57 Å²	57	128.8 Å²	128.8	40%	0.399	67%	0.671	S	S	.	*			trans	-134.6	101.5	-173.4	167.6	0	0	0	0	110.3	N64 H68 W69	N64-S66 PolarHBondContact O-N 3.34Å; S66-H68 PolarHBondContact O-N 3.28Å; S66-W69 VanDerWaalsContact O-CD1 3.32Å
67	N	41.7	Very low	49.9	Very low	163 Å²	163	128.3 Å²	128.3	87%	0.872	67%	0.666	S	S	*	*	S	Bend	trans	-71.3	21.1	173.3	-73.4	-27.2	0	0	0	113.6
68	H	40	Very low	49.2	Very low	159 Å²	159	121.4 Å²	121.4	74%	0.736	65%	0.647	S	S	*	*			trans	-129.1	30.2	-166	-72.3	-56.8	0	0	0	115.3	S66 R70	S66-H68 PolarHBondContact O-N 3.28Å; H68-R70 VanDerWaalsContact C-N 3.31Å; H68-R70 PolarHBondContact O-N 3.48Å
69	W	40.7	Very low	48.6	Very low	202 Å²	202	119.8 Å²	119.8	77%	0.765	64%	0.639	S	S	*	*			trans	-73.3	86.7	168.8	-65.4	75.7	0	0	0	110.1	N64 S66	N64-W69 WeakPolarHBondContact ND2-CZ2 3.46Å; S66-W69 VanDerWaalsContact O-CD1 3.32Å
70	R	40.5	Very low	48.3	Very low	234 Å²	234	122.1 Å²	122.1	88%	0.883	64%	0.643	S	S	*	*			trans	-86.2	136.3	157.9	-77.8	-177.9	169.9	-124.7	-1	108	H68 A72	H68-R70 VanDerWaalsContact C-N 3.31Å; H68-R70 PolarHBondContact O-N 3.48Å; R70-A72 PolarHBondContact O-N 3.49Å
71	S	42.9	Very low	48	Very low	90 Å²	90	117.5 Å²	117.5	63%	0.629	63%	0.634	S	S	*	*			trans	-51.7	132.6	168.5	178.2	0	0	0	0	109.1	M73	S71-M73 PolarHBondContact O-N 3.03Å; S71-M73 WeakPolarHBondContact OG-CB 3.38Å; S71-M73 PolarHBondContact OG-N 3.3Å
72	A	47.1	Very low	47.4	Very low	89 Å²	89	119.7 Å²	119.7	74%	0.736	63%	0.628	S	S	*	*	S	Bend	trans	-66	-15.7	173.1	0	0	0	0	0	112	R70 T74 M77	R70-A72 PolarHBondContact O-N 3.49Å; A72-T74 PolarHBondContact O-N 2.88Å; A72-M77 VanDerWaalsContact O-SD 3.34Å
73	M	42.6	Very low	47.4	Very low	129 Å²	129	124.5 Å²	124.5	64%	0.635	64%	0.644	S	S	*	*			trans	-83.5	99.8	178	-161.2	169.7	80.9	0	0	109.5	S71 M77 A78	S71-M73 PolarHBondContact O-N 3.03Å; S71-M73 WeakPolarHBondContact OG-CB 3.38Å; S71-M73 PolarHBondContact OG-N 3.3Å; M73-M77 HydrophobicContact CG-CB 4.34Å; M73-A78 HydrophobicContact CE-CB 4.49Å
74	T	56.9	Low	47.6	Very low	72 Å²	72	117.4 Å²	117.4	44%	0.442	63%	0.63	S	S	.	*			trans	-74.3	160	170	57	0	0	0	0	110.6	A72 D76 M77 A78	A72-T74 PolarHBondContact O-N 2.88Å; T74-D76 PolarHBondContact O-N 3Å; T74-M77 WeakPolarHBondContact O-CB 3.44Å; T74-M77 PolarHBondContact O-N 2.85Å; T74-M77 WeakPolarHBondContact OG1-CG 3.3Å; T74-M77 PolarHBondContact OG1-N 3.48Å; T74-A78 PolarHBondContact O-N 3.46Å; T74-A78 VanDerWaalsContact O-N 3.17Å
75	V	50.1	Low	47.3	Very low	115 Å²	115	116.9 Å²	116.9	70%	0.697	63%	0.63	S	S	*	*	H	α-helix	trans	-55	-39.5	176.1	-179.7	0	0	0	0	110.9	M77 A78 L79	V75-M77 PolarHBondContact O-N 2.61Å; V75-A78 PolarHBondContact O-N 3.24Å; V75-L79 HydrophobicContact CG1-CD1 4Å; V75-L79 WeakPolarHBondContact O-CG 3.46Å; V75-L79 PolarHBondContact O-N 2.78Å
76	D	54.4	Low	46.9	Very low	112 Å²	112	112.8 Å²	112.8	60%	0.599	62%	0.619	S	S	*	*	H	α-helix	trans	-63.1	-36.1	175.5	-67.3	-56.1	0	0	0	113.5	T74 L79 N80	T74-D76 PolarHBondContact O-N 3Å; D76-L79 PolarHBondContact O-N 2.86Å; D76-N80 VanDerWaalsContact O-CB 3.3Å; D76-N80 WeakPolarHBondContact O-CB 3Å; D76-N80 VanDerWaalsContact O-CG 3.31Å; D76-N80 PolarHBondContact O-N 3.25Å; D76-N80 PolarHBondContact O-ND2 3Å
77	M	54.7	Low	46.6	Very low	109 Å²	109	117.1 Å²	117.1	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-68.1	-39	176.1	-73	179.9	-176.7	0	0	111.4	A72 M73 T74 V75 A81	A72-M77 VanDerWaalsContact O-SD 3.34Å; M73-M77 HydrophobicContact CG-CB 4.34Å; T74-M77 WeakPolarHBondContact O-CB 3.44Å; T74-M77 PolarHBondContact O-N 2.85Å; T74-M77 WeakPolarHBondContact OG1-CG 3.3Å; T74-M77 PolarHBondContact OG1-N 3.48Å; V75-M77 PolarHBondContact O-N 2.61Å; M77-A81 WeakPolarHBondContact O-CB 3.25Å; M77-A81 PolarHBondContact O-N 2.94Å
78	A	48.9	Very low	46.5	Very low	32 Å²	32	119.1 Å²	119.1	26%	0.264	63%	0.632	S	S	.	*	H	α-helix	trans	-66.2	-42.4	175.7	0	0	0	0	0	111.5	M73 T74 V75 A81 L82	M73-A78 HydrophobicContact CE-CB 4.49Å; T74-A78 PolarHBondContact O-N 3.46Å; T74-A78 VanDerWaalsContact O-N 3.17Å; V75-A78 PolarHBondContact O-N 3.24Å; A78-A81 PolarHBondContact O-N 2.97Å; A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 3.12Å; A78-L82 VanDerWaalsContact O-N 3.08Å
79	L	48.6	Very low	46.4	Very low	97 Å²	97	118.9 Å²	118.9	51%	0.508	63%	0.632	S	S	.	*	H	α-helix	trans	-64.1	-44.4	175.4	-75.3	166.7	0	0	0	112	V75 D76 A81 L82 E83	V75-L79 HydrophobicContact CG1-CD1 4Å; V75-L79 WeakPolarHBondContact O-CG 3.46Å; V75-L79 PolarHBondContact O-N 2.78Å; D76-L79 PolarHBondContact O-N 2.86Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 2.78Å; L79-L82 WeakPolarHBondContact O-CB 3.33Å; L79-L82 PolarHBondContact O-N 2.77Å; L79-L82 VanDerWaalsContact O-N 3.09Å; L79-E83 PolarHBondContact O-N 2.87Å
80	N	53.4	Low	46.1	Very low	105 Å²	105	114.9 Å²	114.9	56%	0.561	63%	0.631	S	S	*	*	H	α-helix	trans	-63.5	-36.6	175.1	-80.1	-33.1	0	0	0	112.6	D76 L82 E83 G84	D76-N80 VanDerWaalsContact O-CB 3.3Å; D76-N80 WeakPolarHBondContact O-CB 3Å; D76-N80 VanDerWaalsContact O-CG 3.31Å; D76-N80 PolarHBondContact O-N 3.25Å; D76-N80 PolarHBondContact O-ND2 3Å; N80-L82 VanDerWaalsContact C-N 3.26Å; N80-L82 PolarHBondContact O-N 2.74Å; N80-E83 PolarHBondContact O-N 3.19Å; N80-G84 PolarHBondContact O-N 3.24Å
81	A	52.8	Low	45.9	Very low	68 Å²	68	107.1 Å²	107.1	56%	0.562	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-33.9	174.3	0	0	0	0	0	111.6	M77 A78 L79 V85	M77-A81 WeakPolarHBondContact O-CB 3.25Å; M77-A81 PolarHBondContact O-N 2.94Å; A78-A81 PolarHBondContact O-N 2.97Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 2.78Å; A81-V85 WeakPolarHBondContact O-CG2 3.31Å
82	L	46.4	Very low	45.7	Very low	115 Å²	115	108.2 Å²	108.2	60%	0.602	62%	0.618	S	S	*	*	H	α-helix	trans	-74.7	-36.7	175.9	-77.6	158.4	0	0	0	112.9	A78 L79 N80 G84 V85	A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 3.12Å; A78-L82 VanDerWaalsContact O-N 3.08Å; L79-L82 WeakPolarHBondContact O-CB 3.33Å; L79-L82 PolarHBondContact O-N 2.77Å; L79-L82 VanDerWaalsContact O-N 3.09Å; N80-L82 VanDerWaalsContact C-N 3.26Å; N80-L82 PolarHBondContact O-N 2.74Å; L82-G84 PolarHBondContact O-N 3.14Å; L82-V85 PolarHBondContact O-N 3.32Å
83	E	52.4	Low	45.4	Very low	165 Å²	165	110.8 Å²	110.8	77%	0.771	61%	0.612	S	S	*	*	H	α-helix	trans	-61.5	-26.5	176.7	-80.1	-167.7	162.2	0	0	113.1	L79 N80 V85	L79-E83 PolarHBondContact O-N 2.87Å; N80-E83 PolarHBondContact O-N 3.19Å; E83-V85 VanDerWaalsContact C-N 3.34Å
84	G	47.8	Very low	45.3	Very low	60 Å²	60	108.5 Å²	108.5	62%	0.619	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-14.3	174.8	0	0	0	0	0	114.9	N80 L82 T86	N80-G84 PolarHBondContact O-N 3.24Å; L82-G84 PolarHBondContact O-N 3.14Å; G84-T86 PolarHBondContact O-N 2.74Å
85	V	39.4	Very low	44.4	Very low	75 Å²	75	112.8 Å²	112.8	46%	0.455	63%	0.634	S	S	.	*			trans	-83.1	84.3	-177.4	-172.9	0	0	0	0	109.2	A81 L82 E83 F87	A81-V85 WeakPolarHBondContact O-CG2 3.31Å; L82-V85 PolarHBondContact O-N 3.32Å; E83-V85 VanDerWaalsContact C-N 3.34Å; V85-F87 HydrophobicContact CG1-CD2 4.32Å; V85-F87 HydrophobicContact CG1-CE2 4.19Å; V85-F87 PolarHBondContact O-N 3.41Å
86	T	38.5	Very low	44	Very low	120 Å²	120	114 Å²	114	74%	0.736	63%	0.632	S	S	*	*			trans	-66.2	101.8	162.5	37	0	0	0	0	108.5	G84 K88	G84-T86 PolarHBondContact O-N 2.74Å; T86-K88 PolarHBondContact O-N 3.09Å
87	F	39.3	Very low	43.6	Very low	149 Å²	149	113.8 Å²	113.8	65%	0.654	64%	0.64	S	S	*	*			trans	-59.1	101.2	168.1	-77.4	-91.6	0	0	0	108.3	V85 Q89	V85-F87 HydrophobicContact CG1-CD2 4.32Å; V85-F87 HydrophobicContact CG1-CE2 4.19Å; V85-F87 PolarHBondContact O-N 3.41Å; F87-Q89 PolarHBondContact O-N 3.25Å
88	K	39.6	Very low	43.3	Very low	205 Å²	205	114.2 Å²	114.2	89%	0.891	64%	0.644	S	S	*	*	S	Bend	trans	-67.2	-9	171.6	-81.6	-171.3	176.8	179.7	0	112.7	T86	T86-K88 PolarHBondContact O-N 3.09Å
89	Q	37.1	Very low	43.2	Very low	154 Å²	154	117.1 Å²	117.1	72%	0.72	66%	0.659	S	S	*	*	S	Bend	trans	-91.1	122.9	166.6	-76.4	179.6	-22.3	0	0	108.4	F87 C91	F87-Q89 PolarHBondContact O-N 3.25Å; Q89-C91 PolarHBondContact O-N 3.29Å
90	P	35	Very low	43.5	Very low	117 Å²	117	118.4 Å²	118.4	76%	0.76	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.9	116.8	165.1	24.5	-29.8	0	0	0	106.6	P92	P90-P92 WeakPolarHBondContact O-CD 3.44Å; P90-P92 VanDerWaalsContact O-N 3.1Å
91	C	37	Very low	43.9	Very low	71 Å²	71	120.7 Å²	120.7	48%	0.48	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-49.9	122.7	169.7	-76.3	0	0	0	0	107.1	Q89 F93 A94	Q89-C91 PolarHBondContact O-N 3.29Å; C91-F93 PolarHBondContact O-N 3.47Å; C91-A94 PolarHBondContact O-N 3Å; C91-A94 VanDerWaalsContact O-N 3.12Å
92	P	38.7	Very low	44	Very low	114 Å²	114	121.4 Å²	121.4	74%	0.74	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-12	-176.2	-20.9	28	0	0	0	113.8	P90	P90-P92 WeakPolarHBondContact O-CD 3.44Å; P90-P92 VanDerWaalsContact O-N 3.1Å
93	F	41	Very low	44.9	Very low	142 Å²	142	120 Å²	120	62%	0.623	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	0.3	-173.7	-55.3	-74.2	0	0	0	114.6	C91 N95 Q96	C91-F93 PolarHBondContact O-N 3.47Å; F93-N95 PolarHBondContact O-N 2.98Å; F93-Q96 PolarHBondContact O-N 3.17Å; F93-Q96 VanDerWaalsContact O-N 3.12Å
94	A	40	Very low	45.1	Very low	81 Å²	81	114.8 Å²	114.8	67%	0.669	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-16.9	-174.8	0	0	0	0	0	114.9	C91	C91-A94 PolarHBondContact O-N 3Å; C91-A94 VanDerWaalsContact O-N 3.12Å
95	N	38.2	Very low	45.6	Very low	163 Å²	163	116.8 Å²	116.8	87%	0.872	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	10.1	-179.8	-70.8	-11.7	0	0	0	114.1	F93 S97	F93-N95 PolarHBondContact O-N 2.98Å; N95-S97 PolarHBondContact O-N 3.21Å
96	Q	40.5	Very low	46.8	Very low	139 Å²	139	120.2 Å²	120.2	65%	0.65	66%	0.661	S	S	*	*			trans	-88	104.5	174.4	-69	-175.4	3.3	0	0	109	F93 L98	F93-Q96 PolarHBondContact O-N 3.17Å; F93-Q96 VanDerWaalsContact O-N 3.12Å; Q96-L98 PolarHBondContact O-N 3.01Å
97	S	46.2	Very low	47.6	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-51	135.3	160.7	51.5	0	0	0	0	108.8	N95	N95-S97 PolarHBondContact O-N 3.21Å
98	L	47.7	Very low	48.2	Very low	118 Å²	118	112.7 Å²	112.7	62%	0.618	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-50.8	136	172.8	-85.2	101.4	0	0	0	109.4	Q96 S100 F102	Q96-L98 PolarHBondContact O-N 3.01Å; L98-S100 PolarHBondContact O-N 3.16Å; L98-F102 HydrophobicContact CB-CB 4.48Å; L98-F102 HydrophobicContact CD2-CB 4.07Å; L98-F102 HydrophobicContact CD2-CD1 3.27Å; L98-F102 HydrophobicContact CD2-CD2 4.13Å; L98-F102 HydrophobicContact CD2-CE1 3.58Å; L98-F102 HydrophobicContact CD2-CE2 4.39Å; L98-F102 HydrophobicContact CD2-CG 3.56Å; L98-F102 HydrophobicContact CD2-CZ 4.13Å
99	P	48.4	Very low	48.9	Very low	92 Å²	92	106.1 Å²	106.1	60%	0.597	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-52.1	139	174.8	-23.1	31.7	0	0	0	109.8	D101 F102	P99-D101 PolarHBondContact O-N 3.41Å; P99-F102 VanDerWaalsContact O-CB 3.24Å; P99-F102 WeakPolarHBondContact O-CB 3.38Å; P99-F102 PolarHBondContact O-N 3.32Å
100	S	54.3	Low	49.9	Very low	124 Å²	124	102 Å²	102	87%	0.867	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-22.9	178.6	46.1	0	0	0	0	113.4	L98	L98-S100 PolarHBondContact O-N 3.16Å
101	D	61.2	Low	50.2	Low	153 Å²	153	99 Å²	99	82%	0.818	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	9.2	177.9	-65.4	-15.1	0	0	0	113.5	P99 D103	P99-D101 PolarHBondContact O-N 3.41Å; D101-D103 PolarHBondContact O-N 2.82Å
102	F	54.8	Low	50.8	Low	83 Å²	83	99.4 Å²	99.4	36%	0.364	56%	0.563	S	S	.	*			trans	-73.8	101.2	178.3	-170.1	-91.8	0	0	0	110.9	L98 P99 V104 F107	L98-F102 HydrophobicContact CB-CB 4.48Å; L98-F102 HydrophobicContact CD2-CB 4.07Å; L98-F102 HydrophobicContact CD2-CD1 3.27Å; L98-F102 HydrophobicContact CD2-CD2 4.13Å; L98-F102 HydrophobicContact CD2-CE1 3.58Å; L98-F102 HydrophobicContact CD2-CE2 4.39Å; L98-F102 HydrophobicContact CD2-CG 3.56Å; L98-F102 HydrophobicContact CD2-CZ 4.13Å; P99-F102 VanDerWaalsContact O-CB 3.24Å; P99-F102 WeakPolarHBondContact O-CB 3.38Å; P99-F102 PolarHBondContact O-N 3.32Å; F102-V104 HydrophobicContact CD1-CG2 3.96Å; F102-V104 HydrophobicContact CE1-CG2 4.29Å; F102-V104 PolarHBondContact O-N 3.27Å; F102-F107 HydrophobicContact CE1-CB 3.85Å; F102-F107 HydrophobicContact CE1-CD1 4.39Å; F102-F107 HydrophobicContact CE1-CG 4.09Å; F102-F107 HydrophobicContact CZ-CB 3.65Å; F102-F107 HydrophobicContact CZ-CD1 4.2Å; F102-F107 AromaticContact CZ-CD2 3.82Å; F102-F107 HydrophobicContact CZ-CD2 3.82Å; F102-F107 AromaticContact CZ-CG 3.63Å; F102-F107 HydrophobicContact CZ-CG 3.63Å
103	D	65.7	Low	51.5	Low	87 Å²	87	101.3 Å²	101.3	47%	0.465	56%	0.562	S	S	.	*			trans	-74.9	92.5	174.6	-171.2	-3.1	0	0	0	110.6	D101 T105 K106 F107	D101-D103 PolarHBondContact O-N 2.82Å; D103-T105 PolarHBondContact O-N 3.48Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 VanDerWaalsContact OD1-CB 3.23Å; D103-T105 WeakPolarHBondContact OD1-CB 3.49Å; D103-T105 PolarHBondContact OD1-N 3.16Å; D103-T105 VanDerWaalsContact OD1-N 3.13Å; D103-T105 PolarHBondContact OD1-OG1 2.9Å; D103-K106 HydrophobicContact CB-CB 4.13Å; D103-K106 PolarHBondContact O-N 3.42Å; D103-F107 PolarHBondContact O-N 2.83Å
104	V	57.6	Low	51.5	Low	54 Å²	54	100.1 Å²	100.1	33%	0.327	56%	0.562	S	S	.	*	H	α-helix	trans	-51.8	-35.1	177.1	-178.1	0	0	0	0	111.1	F102 K106 F107 C108	F102-V104 HydrophobicContact CD1-CG2 3.96Å; F102-V104 HydrophobicContact CE1-CG2 4.29Å; F102-V104 PolarHBondContact O-N 3.27Å; V104-K106 PolarHBondContact O-N 3.46Å; V104-F107 PolarHBondContact O-N 3.19Å; V104-C108 PolarHBondContact O-N 3.49Å; V104-C108 PolarHBondContact O-SG 3.2Å
105	T	58.3	Low	51.7	Low	103 Å²	103	103.2 Å²	103.2	63%	0.632	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-42.5	-179.6	-15.6	0	0	0	0	111.6	D103 S109	D103-T105 PolarHBondContact O-N 3.48Å; D103-T105 VanDerWaalsContact O-N 3.14Å; D103-T105 VanDerWaalsContact OD1-CB 3.23Å; D103-T105 WeakPolarHBondContact OD1-CB 3.49Å; D103-T105 PolarHBondContact OD1-N 3.16Å; D103-T105 VanDerWaalsContact OD1-N 3.13Å; D103-T105 PolarHBondContact OD1-OG1 2.9Å; T105-S109 WeakPolarHBondContact O-CB 3.35Å; T105-S109 PolarHBondContact O-N 2.81Å
106	K	64.5	Low	52.1	Low	146 Å²	146	103.3 Å²	103.3	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-39.6	176.4	-165.1	175.6	-174.4	177.4	0	111.5	D103 V104 S109 V110	D103-K106 HydrophobicContact CB-CB 4.13Å; D103-K106 PolarHBondContact O-N 3.42Å; V104-K106 PolarHBondContact O-N 3.46Å; K106-S109 PolarHBondContact O-N 3.31Å; K106-V110 WeakPolarHBondContact O-CG2 3.42Å; K106-V110 PolarHBondContact O-N 3.08Å
107	F	55.2	Low	52	Low	93 Å²	93	99 Å²	99	41%	0.408	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-45.2	175.6	179.7	-105.5	0	0	0	112.5	F102 D103 V104 S109 V110 L111	F102-F107 HydrophobicContact CE1-CB 3.85Å; F102-F107 HydrophobicContact CE1-CD1 4.39Å; F102-F107 HydrophobicContact CE1-CG 4.09Å; F102-F107 HydrophobicContact CZ-CB 3.65Å; F102-F107 HydrophobicContact CZ-CD1 4.2Å; F102-F107 AromaticContact CZ-CD2 3.82Å; F102-F107 HydrophobicContact CZ-CD2 3.82Å; F102-F107 AromaticContact CZ-CG 3.63Å; F102-F107 HydrophobicContact CZ-CG 3.63Å; D103-F107 PolarHBondContact O-N 2.83Å; V104-F107 PolarHBondContact O-N 3.19Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-S109 PolarHBondContact O-N 2.96Å; F107-V110 PolarHBondContact O-N 3.39Å; F107-L111 HydrophobicContact CD1-CD1 3.86Å; F107-L111 HydrophobicContact CD1-CG 4.49Å; F107-L111 HydrophobicContact CE1-CD1 3.31Å; F107-L111 HydrophobicContact CE1-CG 4.1Å; F107-L111 HydrophobicContact CZ-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.11Å; F107-L111 PolarHBondContact O-N 3.16Å
108	C	50.5	Low	51.8	Low	19 Å²	19	102.8 Å²	102.8	13%	0.128	56%	0.559	C	S	.	*	H	α-helix	trans	-63.4	-38	175.9	-68.1	0	0	0	0	112	V104 L111 T112	V104-C108 PolarHBondContact O-N 3.49Å; V104-C108 PolarHBondContact O-SG 3.2Å; C108-L111 PolarHBondContact O-N 3.12Å; C108-T112 WeakPolarHBondContact O-CB 3.38Å; C108-T112 PolarHBondContact O-N 3.33Å; C108-T112 PolarHBondContact O-OG1 3.28Å
109	S	55.5	Low	51.6	Low	67 Å²	67	104.8 Å²	104.8	47%	0.469	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-47.8	172.9	149.9	0	0	0	0	111.5	T105 K106 F107 L111 T112 E113	T105-S109 WeakPolarHBondContact O-CB 3.35Å; T105-S109 PolarHBondContact O-N 2.81Å; K106-S109 PolarHBondContact O-N 3.31Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-S109 PolarHBondContact O-N 2.96Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.65Å; S109-T112 PolarHBondContact O-N 3.14Å; S109-T112 VanDerWaalsContact O-N 3.17Å; S109-E113 WeakPolarHBondContact O-CB 3.48Å; S109-E113 PolarHBondContact O-N 2.94Å
110	V	57	Low	51.2	Low	67 Å²	67	104.3 Å²	104.3	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-61.8	-41.1	177.5	171.7	0	0	0	0	111.3	K106 F107 T112 E113 L114	K106-V110 WeakPolarHBondContact O-CG2 3.42Å; K106-V110 PolarHBondContact O-N 3.08Å; F107-V110 PolarHBondContact O-N 3.39Å; V110-T112 VanDerWaalsContact C-N 3.35Å; V110-E113 PolarHBondContact O-N 3.26Å; V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 WeakPolarHBondContact O-CB 3Å; V110-L114 PolarHBondContact O-N 3.16Å
111	L	41.8	Very low	50.9	Low	53 Å²	53	101 Å²	101	28%	0.277	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175	-77	176.6	0	0	0	112.4	F107 C108 S109 E113 L114 F115	F107-L111 HydrophobicContact CD1-CD1 3.86Å; F107-L111 HydrophobicContact CD1-CG 4.49Å; F107-L111 HydrophobicContact CE1-CD1 3.31Å; F107-L111 HydrophobicContact CE1-CG 4.1Å; F107-L111 HydrophobicContact CZ-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.11Å; F107-L111 PolarHBondContact O-N 3.16Å; C108-L111 PolarHBondContact O-N 3.12Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.65Å; L111-E113 VanDerWaalsContact C-N 3.29Å; L111-E113 PolarHBondContact O-N 3.16Å; L111-L114 PolarHBondContact O-N 3.46Å; L111-F115 HydrophobicContact CD2-CD2 4.38Å; L111-F115 HydrophobicContact CD2-CE2 3.98Å; L111-F115 WeakPolarHBondContact O-CD2 2.92Å; L111-F115 PolarHBondContact O-N 3.07Å
112	T	50.2	Low	50	Low	81 Å²	81	100 Å²	100	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.8	-50.6	0	0	0	0	110.9	C108 S109 V110 L114	C108-T112 WeakPolarHBondContact O-CB 3.38Å; C108-T112 PolarHBondContact O-N 3.33Å; C108-T112 PolarHBondContact O-OG1 3.28Å; S109-T112 PolarHBondContact O-N 3.14Å; S109-T112 VanDerWaalsContact O-N 3.17Å; V110-T112 VanDerWaalsContact C-N 3.35Å; T112-L114 VanDerWaalsContact C-N 3.33Å
113	E	53.6	Low	49.6	Very low	153 Å²	153	103.9 Å²	103.9	72%	0.715	56%	0.56	S	S	*	*	H	α-helix	trans	-73.5	-25.3	175.7	-151.6	176.8	-156.9	0	0	112.5	S109 V110 L111	S109-E113 WeakPolarHBondContact O-CB 3.48Å; S109-E113 PolarHBondContact O-N 2.94Å; V110-E113 PolarHBondContact O-N 3.26Å; L111-E113 VanDerWaalsContact C-N 3.29Å; L111-E113 PolarHBondContact O-N 3.16Å
114	L	39.8	Very low	48.4	Very low	118 Å²	118	103.3 Å²	103.3	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-82	-29.4	178	-112.8	136.7	0	0	0	113.5	V110 L111 T112	V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 WeakPolarHBondContact O-CB 3Å; V110-L114 PolarHBondContact O-N 3.16Å; L111-L114 PolarHBondContact O-N 3.46Å; T112-L114 VanDerWaalsContact C-N 3.33Å
115	F	44.3	Very low	47.5	Very low	145 Å²	145	103.1 Å²	103.1	64%	0.636	56%	0.56	S	S	*	*	S	Bend	trans	-118.8	86.9	-177.9	-64.9	-76.8	0	0	0	109	L111 G117	L111-F115 HydrophobicContact CD2-CD2 4.38Å; L111-F115 HydrophobicContact CD2-CE2 3.98Å; L111-F115 WeakPolarHBondContact O-CD2 2.92Å; L111-F115 PolarHBondContact O-N 3.07Å; F115-G117 PolarHBondContact O-N 3.37Å
116	D	46.4	Very low	46.8	Very low	166 Å²	166	104.7 Å²	104.7	89%	0.888	56%	0.56	S	S	*	*			trans	-59.9	64.6	175.9	-76.9	-38.7	0	0	0	113.1
117	G	40.1	Very low	45.6	Very low	48 Å²	48	101.4 Å²	101.4	50%	0.495	56%	0.556	S	S	.	*			trans	-142.1	106	-174.2	0	0	0	0	0	112.6	F115 D119	F115-G117 PolarHBondContact O-N 3.37Å; G117-D119 VanDerWaalsContact C-N 3.32Å; G117-D119 PolarHBondContact O-N 2.67Å
118	E	40.3	Very low	44.9	Very low	189 Å²	189	100.8 Å²	100.8	88%	0.883	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-5.6	-162.9	-78.6	-162	143.3	0	0	119.1
119	D	43.8	Very low	44.3	Very low	160 Å²	160	109.3 Å²	109.3	86%	0.856	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	8.6	-170.2	-79.5	-45.1	0	0	0	116.9	G117	G117-D119 VanDerWaalsContact C-N 3.32Å; G117-D119 PolarHBondContact O-N 2.67Å
120	S	41.5	Very low	43.3	Very low	81 Å²	81	112.1 Å²	112.1	57%	0.566	60%	0.599	S	S	*	*			trans	-99.9	-6.7	-178.8	-51.2	0	0	0	0	114.7	N122 Q123 V124	S120-N122 PolarHBondContact O-N 2.77Å; S120-Q123 PolarHBondContact O-N 2.97Å; S120-V124 PolarHBondContact O-N 3.06Å
121	S	46.5	Very low	42.2	Very low	56 Å²	56	113.4 Å²	113.4	39%	0.392	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-33.9	-165.1	53.2	0	0	0	0	114.4	C125	S121-C125 PolarHBondContact O-N 2.74Å; S121-C125 PolarHBondContact O-SG 3.44Å
122	N	43.2	Very low	41.6	Very low	132 Å²	132	118.6 Å²	118.6	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-79.5	-34.2	-177.8	-75.5	-25.6	0	0	0	113.7	S120 E126	S120-N122 PolarHBondContact O-N 2.77Å; N122-E126 PolarHBondContact O-N 3Å
123	Q	45.1	Very low	40.5	Very low	163 Å²	163	120.3 Å²	120.3	76%	0.762	65%	0.645	S	S	*	*	H	α-helix	trans	-71.9	-35.7	179.8	-76.4	-175	19.9	0	0	112.3	S120 S127	S120-Q123 PolarHBondContact O-N 2.97Å; Q123-S127 WeakPolarHBondContact O-CB 3.11Å; Q123-S127 PolarHBondContact O-N 3.4Å
124	V	41.5	Very low	39.1	Very low	75 Å²	75	121.6 Å²	121.6	46%	0.455	65%	0.65	S	S	.	*	H	α-helix	trans	-68.4	-40.1	178.3	-178.3	0	0	0	0	110.7	S120 S127 V128	S120-V124 PolarHBondContact O-N 3.06Å; V124-S127 PolarHBondContact O-N 3.16Å; V124-V128 WeakPolarHBondContact O-CG2 3.01Å; V124-V128 PolarHBondContact O-N 3.43Å; V124-V128 VanDerWaalsContact O-N 3.17Å
125	C	39.5	Very low	38.3	Very low	51 Å²	51	125.9 Å²	125.9	35%	0.345	67%	0.665	S	S	.	*	H	α-helix	trans	-67.5	-37.8	178.2	-71.4	0	0	0	0	113.2	S121 R129	S121-C125 PolarHBondContact O-N 2.74Å; S121-C125 PolarHBondContact O-SG 3.44Å; C125-R129 PolarHBondContact O-N 3.32Å
126	E	41.9	Very low	37.5	Very low	136 Å²	136	123.9 Å²	123.9	64%	0.636	67%	0.668	S	S	*	*	H	α-helix	trans	-70.1	-37	175	-94.3	-171.5	153.9	0	0	112.5	N122 V128 R129 N130	N122-E126 PolarHBondContact O-N 3Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.23Å; E126-R129 PolarHBondContact O-N 3.48Å; E126-N130 PolarHBondContact O-N 3.17Å; E126-N130 VanDerWaalsContact O-N 3.14Å
127	S	40.4	Very low	36.5	Very low	77 Å²	77	121.4 Å²	121.4	54%	0.538	66%	0.664	S	S	.	*	H	α-helix	trans	-64.4	-39.7	178.9	-153.3	0	0	0	0	111.7	Q123 V124 R129 N130	Q123-S127 WeakPolarHBondContact O-CB 3.11Å; Q123-S127 PolarHBondContact O-N 3.4Å; V124-S127 PolarHBondContact O-N 3.16Å; S127-R129 VanDerWaalsContact C-N 3.34Å; S127-R129 PolarHBondContact O-N 2.64Å; S127-N130 PolarHBondContact O-N 3.42Å
128	V	39.8	Very low	35.8	Very low	79 Å²	79	125.4 Å²	125.4	48%	0.479	68%	0.678	S	S	.	*	H	α-helix	trans	-69.3	-30.2	178.1	176.8	0	0	0	0	112.5	V124 E126	V124-V128 WeakPolarHBondContact O-CG2 3.01Å; V124-V128 PolarHBondContact O-N 3.43Å; V124-V128 VanDerWaalsContact O-N 3.17Å; E126-V128 VanDerWaalsContact C-N 3.34Å; E126-V128 PolarHBondContact O-N 3.23Å
129	R	38.4	Very low	34.9	Very low	199 Å²	199	120 Å²	120	75%	0.751	67%	0.674	S	S	*	*	H	α-helix	trans	-78.8	-28.3	177.2	-79.6	-174.1	178.8	176.3	1.4	113.8	C125 E126 S127	C125-R129 PolarHBondContact O-N 3.32Å; E126-R129 PolarHBondContact O-N 3.48Å; S127-R129 VanDerWaalsContact C-N 3.34Å; S127-R129 PolarHBondContact O-N 2.64Å
130	N	34.2	Very low	34.1	Very low	126 Å²	126	120.4 Å²	120.4	67%	0.674	67%	0.671	S	S	*	*	H	α-helix	trans	-99	4.3	-171.1	-78.1	-12.5	0	0	0	115.5	E126 S127 N132	E126-N130 PolarHBondContact O-N 3.17Å; E126-N130 VanDerWaalsContact O-N 3.14Å; S127-N130 PolarHBondContact O-N 3.42Å; N130-N132 PolarHBondContact O-N 3.03Å
131	T	34.2	Very low	33.2	Very low	94 Å²	94	126.8 Å²	126.8	58%	0.577	69%	0.688	S	S	*	*			trans	-84.9	61.2	172.9	55.2	0	0	0	0	112.7	V133	T131-V133 HydrophobicContact CG2-CG2 4.46Å; T131-V133 PolarHBondContact O-N 2.76Å
132	N	28.9	Very low	32.1	Very low	161 Å²	161	136 Å²	136	86%	0.861	72%	0.715	S	S	*	*			trans	-88.5	62.3	150.5	-89.7	-16.2	0	0	0	107.9	N130 H134	N130-N132 PolarHBondContact O-N 3.03Å; N132-H134 PolarHBondContact O-N 3.36Å; N132-H134 VanDerWaalsContact O-N 3.11Å
133	V	26.8	Very low	31.2	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	72%	0.717	S	S	*	*			trans	-82.7	95.3	178.8	-174.2	0	0	0	0	108.3	T131 F135	T131-V133 HydrophobicContact CG2-CG2 4.46Å; T131-V133 PolarHBondContact O-N 2.76Å; V133-F135 PolarHBondContact O-N 3.28Å
134	H	24.7	Very low	30.1	Very low	180 Å²	180	132.2 Å²	132.2	83%	0.833	72%	0.717	S	S	*	*			trans	-61.5	113	170.3	-125.8	-26.2	0	0	0	109	N132 S136	N132-H134 PolarHBondContact O-N 3.36Å; N132-H134 VanDerWaalsContact O-N 3.11Å; H134-S136 PolarHBondContact O-N 2.98Å
135	F	24.2	Very low	29.6	Very low	209 Å²	209	135 Å²	135	92%	0.917	73%	0.733	S	S	*	*			trans	-71.5	84.7	179.9	-155.2	-94.7	0	0	0	109.9	V133	V133-F135 PolarHBondContact O-N 3.28Å
136	S	25.7	Very low	28.9	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	75%	0.754	S	S	*	*			trans	-97.1	134.2	169.2	65.6	0	0	0	0	110.3	H134 V138	H134-S136 PolarHBondContact O-N 2.98Å; S136-V138 PolarHBondContact O-N 2.78Å
137	S	25.2	Very low	28	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	77%	0.766	S	S	*	*			trans	-49.9	124.4	-171.2	58	0	0	0	0	114.7
138	V	25.3	Very low	27.2	Very low	132 Å²	132	146.8 Å²	146.8	80%	0.8	78%	0.777	S	S	*	*			trans	-118.8	83.2	159.7	-177.2	0	0	0	0	108.6	S136 Q140	S136-V138 PolarHBondContact O-N 2.78Å; V138-Q140 HydrophobicContact CG1-CB 4.46Å
139	G	21.9	Very low	26.5	Very low	77 Å²	77	152.3 Å²	152.3	79%	0.794	79%	0.794	S	S	*	*			trans	-85	95.3	152.4	0	0	0	0	0	108.3
140	Q	26.8	Very low	25.8	Very low	168 Å²	168	150.5 Å²	150.5	79%	0.785	79%	0.794	S	S	*	*			trans	-139.9	121.8	161.7	-77.2	-166	-18.3	0	0	110.7	V138 R142	V138-Q140 HydrophobicContact CG1-CB 4.46Å; Q140-R142 PolarHBondContact O-N 3.15Å
141	K	22.2	Very low	25.3	Very low	215 Å²	215	155.3 Å²	155.3	94%	0.935	80%	0.804	S	S	*	*			trans	-43.6	120	170.3	-69.1	169	172.1	175.8	0	110.8
142	R	24.6	Very low	24.8	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	82%	0.816	S	S	*	*			trans	-100.5	117.7	157.3	-80.1	-173.5	172.6	-178.9	-1.2	108.8	Q140	Q140-R142 PolarHBondContact O-N 3.15Å
143	S	24.2	Very low	24.6	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	81%	0.811	S	S	*	*			trans	-67.8	152.6	173.8	44.8	0	0	0	0	112.1
144	S	22.8	Very low	24.6	Very low	109 Å²	109	154.3 Å²	154.3	76%	0.762	82%	0.816	S	S	*	*			trans	-21.6	125.8	165.6	-98.8	0	0	0	0	115.5
145	V	29.3	Very low	24.5	Very low	133 Å²	133	155.6 Å²	155.6	81%	0.806	82%	0.819	S	S	*	*			trans	-121.9	108.6	154.9	179	0	0	0	0	106.1	F147	V145-F147 PolarHBondContact O-N 2.83Å
146	D	24.9	Very low	24.5	Very low	144 Å²	144	157.3 Å²	157.3	77%	0.77	82%	0.82	S	S	*	*			trans	-67.1	118.4	172.6	-71.9	-50.3	0	0	0	109.2	E148	D146-E148 PolarHBondContact O-N 3.28Å
147	F	24.2	Very low	24.4	Very low	203 Å²	203	161.1 Å²	161.1	89%	0.89	83%	0.826	S	S	*	*			trans	-92.4	90	178.8	-147.7	-94.6	0	0	0	108.8	V145	V145-F147 PolarHBondContact O-N 2.83Å
148	E	23	Very low	24.4	Very low	165 Å²	165	163.8 Å²	163.8	77%	0.771	83%	0.83	S	S	*	*			trans	-71.5	135.7	174.9	-99.4	-174	156.4	0	0	112	D146 H150	D146-E148 PolarHBondContact O-N 3.28Å; E148-H150 PolarHBondContact O-N 3.14Å
149	K	25.4	Very low	24.3	Very low	194 Å²	194	165.9 Å²	165.9	84%	0.843	83%	0.831	S	S	*	*			trans	-73.8	117.3	-176.7	-69.1	170.3	176.2	173.7	0	111.3
150	H	23.5	Very low	24.3	Very low	161 Å²	161	172.1 Å²	172.1	75%	0.745	84%	0.837	S	S	*	*			trans	-117.1	93.8	161.1	-77.2	-70.4	0	0	0	110.4	E148	E148-H150 PolarHBondContact O-N 3.14Å
151	Y	24.4	Very low	24.3	Very low	227 Å²	227	169.9 Å²	169.9	89%	0.89	84%	0.84	S	S	*	*			trans	-120.7	93.4	157.9	-74.1	-77.1	0	0	0	107.9
152	S	23.9	Very low	24.4	Very low	118 Å²	118	168.4 Å²	168.4	83%	0.825	84%	0.836	S	S	*	*			trans	-89.1	112.2	167.2	-89	0	0	0	0	108.9
153	S	23.5	Very low	24.2	Very low	108 Å²	108	162.2 Å²	162.2	76%	0.755	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-80.9	138.1	171	-50.4	0	0	0	0	110.5
154	P	26.7	Very low	24.2	Very low	126 Å²	126	163.2 Å²	163.2	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77	126.7	-175.9	-4.5	21.3	0	0	0	111.6	R156	P154-R156 PolarHBondContact O-N 3.32Å
155	K	23.6	Very low	24.1	Very low	206 Å²	206	163.5 Å²	163.5	90%	0.896	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-70.5	116.8	171.7	-71.2	177.9	175.4	176.8	0	109.8
156	R	23.4	Very low	23.9	Very low	245 Å²	245	166.7 Å²	166.7	93%	0.925	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-81.7	119.1	167.7	-71.8	-176.9	-174.8	168.4	1.8	109.2	P154	P154-R156 PolarHBondContact O-N 3.32Å
157	H	23.1	Very low	23.9	Very low	183 Å²	183	168.5 Å²	168.5	85%	0.847	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-74.5	120.6	174.3	-125.1	-84.3	0	0	0	108.7
158	L	24.8	Very low	23.8	Very low	170 Å²	170	168.2 Å²	168.2	89%	0.89	84%	0.84	S	S	*	*			trans	-99.6	101.9	175.4	-158.2	80.5	0	0	0	107.3
159	E	24.6	Very low	23.9	Very low	175 Å²	175	168 Å²	168	82%	0.818	84%	0.844	S	S	*	*			trans	-75.4	130.7	176.4	-72	-177.2	159.8	0	0	110.3
160	K	21.2	Very low	23.8	Very low	209 Å²	209	164.7 Å²	164.7	91%	0.909	85%	0.845	S	S	*	*			trans	-85.6	113	173.5	-73.1	176.1	175.9	178.1	0	108.1
161	S	27	Very low	24	Very low	121 Å²	121	162.4 Å²	162.4	85%	0.846	85%	0.848	S	S	*	*			trans	-105.5	149.9	167.5	48.6	0	0	0	0	111.4
162	E	23.5	Very low	23.9	Very low	183 Å²	183	159.3 Å²	159.3	86%	0.855	85%	0.846	S	S	*	*			trans	-79.8	149.7	-150.2	-65.6	167.5	145.5	0	0	115.1
163	S	21.4	Very low	24.2	Very low	119 Å²	119	159 Å²	159	83%	0.832	84%	0.844	S	S	*	*			trans	-63.2	119.8	170.7	46.5	0	0	0	0	112.6
164	T	24.2	Very low	24.1	Very low	128 Å²	128	160.9 Å²	160.9	79%	0.785	85%	0.846	S	S	*	*			trans	-101.1	112.3	163.3	46.1	0	0	0	0	109.9
165	S	21.5	Very low	24.1	Very low	116 Å²	116	162.8 Å²	162.8	81%	0.811	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-73.9	119.3	173.9	52.2	0	0	0	0	110.6
166	F	23.6	Very low	24.2	Very low	199 Å²	199	159 Å²	159	87%	0.873	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-103	128.3	169.2	-107.4	-94.8	0	0	0	111
167	H	25.6	Very low	24.2	Very low	182 Å²	182	153.8 Å²	153.8	84%	0.843	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.9	-173.2	-98.9	-72.5	0	0	0	113.6	N169	H167-N169 PolarHBondContact O-N 3.47Å
168	K	22.6	Very low	24.3	Very low	197 Å²	197	154 Å²	154	86%	0.857	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-57.5	124.2	163.6	-73.7	174.6	172.4	177.2	0	110.6
169	N	24.4	Very low	24.3	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	83%	0.826	S	S	*	*			trans	-111.4	117.8	153.6	-93.5	-12.6	0	0	0	108.7	H167	H167-N169 PolarHBondContact O-N 3.47Å
170	S	22.8	Very low	24.4	Very low	124 Å²	124	149.9 Å²	149.9	87%	0.867	82%	0.824	S	S	*	*			trans	-92.8	111	-179.9	-151.6	0	0	0	0	107.5
171	S	29.2	Very low	24.6	Very low	114 Å²	114	148.9 Å²	148.9	80%	0.797	82%	0.822	S	S	*	*			trans	-129.2	115	171.7	-54.1	0	0	0	0	108.4
172	N	22.1	Very low	24.7	Very low	162 Å²	162	147.8 Å²	147.8	87%	0.866	82%	0.815	S	S	*	*			trans	-88.2	119.1	-174.7	-163	23.6	0	0	0	108.7
173	S	28.6	Very low	25	Very low	112 Å²	112	148.7 Å²	148.7	78%	0.783	82%	0.819	S	S	*	*			trans	-157.9	115.4	162.1	56.2	0	0	0	0	111.5
174	N	22.6	Very low	25.7	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	81%	0.812	S	S	*	*			trans	-53	133.1	164.4	-67.2	-34.3	0	0	0	111.7
175	H	26.6	Very low	26.3	Very low	165 Å²	165	148.3 Å²	148.3	76%	0.764	82%	0.816	S	S	*	*				175	130.1	120.9	-102.2	-55.4	0	0	0	112.1
176	N	25.2	Very low	27.3	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	82%	0.816	S	S	*	*			trans	55	111.9	136	-61.6	2.3	0	0	0	120.3
177	T	23	Very low	27.8	Very low	135 Å²	135	150.8 Å²	150.8	83%	0.828	82%	0.819	S	S	*	*			trans	34.8	98.8	133.6	26.6	0	0	0	0	116.6
178	E	25.9	Very low	29.4	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	81%	0.805	S	S	*	*			trans	-147.3	140.6	148.7	-113.2	168.1	-158.6	0	0	110.6	T180	E178-T180 PolarHBondContact O-N 3.46Å
179	V	24.1	Very low	31.3	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	80%	0.795	S	S	*	*			trans	-62.5	116.6	-168.4	177.8	0	0	0	0	109.5
180	T	26.6	Very low	32.7	Very low	125 Å²	125	139.9 Å²	139.9	77%	0.767	79%	0.788	S	S	*	*			trans	-101.6	90.7	170.9	20.3	0	0	0	0	109.2	E178 S182	E178-T180 PolarHBondContact O-N 3.46Å; T180-S182 PolarHBondContact O-N 2.88Å; T180-S182 VanDerWaalsContact O-N 3.16Å
181	E	25.9	Very low	35.2	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.874	77%	0.771	S	S	*	*			trans	-50.1	111.6	149	-73.1	175.8	149	0	0	107.8
182	S	30.1	Very low	36.9	Very low	99 Å²	99	133 Å²	133	69%	0.692	75%	0.748	S	S	*	*			trans	-141.8	109	164.3	43.7	0	0	0	0	108.3	T180 S184	T180-S182 PolarHBondContact O-N 2.88Å; T180-S182 VanDerWaalsContact O-N 3.16Å; S182-S184 PolarHBondContact O-N 3.34Å
183	E	29.1	Very low	38.9	Very low	201 Å²	201	129.8 Å²	129.8	94%	0.939	73%	0.73	S	S	*	*			trans	-44.3	114.8	173	-60.8	169.3	145.7	0	0	111.5
184	S	35.3	Very low	40.4	Very low	99 Å²	99	129.7 Å²	129.7	69%	0.692	72%	0.72	S	S	*	*			trans	-143.1	62.9	163.3	74.1	0	0	0	0	110.3	S182 L186	S182-S184 PolarHBondContact O-N 3.34Å; S184-L186 PolarHBondContact O-N 3.05Å
185	T	36.6	Very low	42.4	Very low	141 Å²	141	128.6 Å²	128.6	87%	0.865	71%	0.71	S	S	*	*			trans	-77.6	65.2	161.9	55.2	0	0	0	0	108.6
186	L	43.7	Very low	44.3	Very low	156 Å²	156	126.2 Å²	126.2	82%	0.817	70%	0.7	S	S	*	*			trans	-80.8	118.8	176.5	-134	81.6	0	0	0	108.2	S184 Q188	S184-L186 PolarHBondContact O-N 3.05Å; L186-Q188 PolarHBondContact O-N 3.14Å
187	F	33.9	Very low	46.1	Very low	211 Å²	211	124.7 Å²	124.7	93%	0.925	69%	0.691	S	S	*	*			trans	-31.9	118.9	175	-82.2	-99.1	0	0	0	113.8
188	Q	59.7	Low	48	Very low	118 Å²	118	123.5 Å²	123.5	55%	0.551	68%	0.679	S	S	*	*			trans	-87.9	130.7	167.1	-81.3	-178.8	-6.6	0	0	110.3	L186	L186-Q188 PolarHBondContact O-N 3.14Å
189	T	61.4	Low	49.4	Very low	107 Å²	107	122.6 Å²	122.6	66%	0.656	67%	0.672	S	S	*	*			trans	-74.1	150.1	171.2	37	0	0	0	0	111.1	G191 S192 L193	T189-G191 PolarHBondContact O-N 3.29Å; T189-S192 PolarHBondContact O-N 3.26Å; T189-L193 PolarHBondContact O-N 3.3Å
190	A	55.3	Low	50.8	Low	85 Å²	85	119.7 Å²	119.7	70%	0.702	66%	0.658	S	S	*	*	H	α-helix	trans	-53.9	-28.8	179	0	0	0	0	0	113.5	L194	A190-L194 WeakPolarHBondContact O-CB 3.3Å; A190-L194 PolarHBondContact O-N 3.3Å
191	G	73.6	Confident	51.5	Low	49 Å²	49	122.2 Å²	122.2	51%	0.505	66%	0.658	S	S	.	*	H	α-helix	trans	-65.9	-40.9	174.5	0	0	0	0	0	113.7	T189 L193 L194 E195	T189-G191 PolarHBondContact O-N 3.29Å; G191-L193 VanDerWaalsContact C-N 3.33Å; G191-L193 PolarHBondContact O-N 3.04Å; G191-L194 PolarHBondContact O-N 3.43Å; G191-E195 PolarHBondContact O-N 3.29Å; G191-E195 VanDerWaalsContact O-N 3.13Å
192	S	65.8	Low	52.1	Low	45 Å²	45	121.6 Å²	121.6	32%	0.315	66%	0.656	S	S	.	*	H	α-helix	trans	-67.3	-37	179.4	-168.3	0	0	0	0	111.7	T189 L194 E195 Q196	T189-S192 PolarHBondContact O-N 3.26Å; S192-L194 VanDerWaalsContact C-N 3.31Å; S192-L194 PolarHBondContact O-N 3.26Å; S192-E195 PolarHBondContact O-N 3.36Å; S192-Q196 PolarHBondContact O-N 3.01Å
193	L	63.7	Low	52.2	Low	94 Å²	94	124 Å²	124	49%	0.492	66%	0.661	S	S	.	*	H	α-helix	trans	-66.9	-34.5	176.5	-150.8	117.5	0	0	0	112	T189 G191 Q196 N197	T189-L193 PolarHBondContact O-N 3.3Å; G191-L193 VanDerWaalsContact C-N 3.33Å; G191-L193 PolarHBondContact O-N 3.04Å; L193-Q196 PolarHBondContact O-N 3.12Å; L193-N197 PolarHBondContact O-N 3.34Å; L193-N197 VanDerWaalsContact O-N 3.16Å
194	L	59.7	Low	52.4	Low	110 Å²	110	123.6 Å²	123.6	58%	0.576	66%	0.659	S	S	*	*	H	α-helix	trans	-72.5	-38.3	179.3	-143.7	137.3	0	0	0	111.5	A190 G191 S192 N197 L198	A190-L194 WeakPolarHBondContact O-CB 3.3Å; A190-L194 PolarHBondContact O-N 3.3Å; G191-L194 PolarHBondContact O-N 3.43Å; S192-L194 VanDerWaalsContact C-N 3.31Å; S192-L194 PolarHBondContact O-N 3.26Å; L194-N197 PolarHBondContact O-N 2.95Å; L194-L198 HydrophobicContact CD2-CD1 3.97Å; L194-L198 HydrophobicContact CD2-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.22Å; L194-L198 PolarHBondContact O-N 3.29Å
195	E	65.4	Low	52	Low	125 Å²	125	126.1 Å²	126.1	58%	0.584	66%	0.664	S	S	*	*	H	α-helix	trans	-64.4	-38.3	172.3	-84.2	-172.1	151.9	0	0	113.1	G191 S192 L198 K199	G191-E195 PolarHBondContact O-N 3.29Å; G191-E195 VanDerWaalsContact O-N 3.13Å; S192-E195 PolarHBondContact O-N 3.36Å; E195-L198 PolarHBondContact O-N 3.27Å; E195-K199 PolarHBondContact O-N 2.9Å; E195-K199 VanDerWaalsContact O-N 3.07Å
196	Q	67.1	Low	51.6	Low	115 Å²	115	125.6 Å²	125.6	54%	0.537	66%	0.656	S	S	.	*	H	α-helix	trans	-64.7	-42.2	175.4	-76.2	-164.9	-26.8	0	0	111.9	S192 L193 L198 K199 S200	S192-Q196 PolarHBondContact O-N 3.01Å; L193-Q196 PolarHBondContact O-N 3.12Å; Q196-L198 VanDerWaalsContact C-N 3.28Å; Q196-L198 PolarHBondContact O-N 2.68Å; Q196-K199 PolarHBondContact O-N 2.8Å; Q196-S200 PolarHBondContact O-N 2.93Å; Q196-S200 VanDerWaalsContact O-N 3.15Å; Q196-S200 PolarHBondContact O-OG 3.45Å
197	N	61.2	Low	51	Low	95 Å²	95	125.8 Å²	125.8	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-66.9	-28.2	175.9	-87.2	-31.5	0	0	0	113.5	L193 L194 S200	L193-N197 PolarHBondContact O-N 3.34Å; L193-N197 VanDerWaalsContact O-N 3.16Å; L194-N197 PolarHBondContact O-N 2.95Å; N197-S200 PolarHBondContact O-OG 3.23Å
198	L	65	Low	50.5	Low	110 Å²	110	127.3 Å²	127.3	58%	0.576	66%	0.658	S	S	*	*	H	α-helix	trans	-73.9	-34.8	173.9	-73	168.5	0	0	0	111.6	L194 E195 Q196 K201	L194-L198 HydrophobicContact CD2-CD1 3.97Å; L194-L198 HydrophobicContact CD2-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.22Å; L194-L198 PolarHBondContact O-N 3.29Å; E195-L198 PolarHBondContact O-N 3.27Å; Q196-L198 VanDerWaalsContact C-N 3.28Å; Q196-L198 PolarHBondContact O-N 2.68Å; L198-K201 PolarHBondContact O-N 3.33Å
199	K	55.1	Low	49	Very low	167 Å²	167	128.3 Å²	128.3	73%	0.726	67%	0.666	S	S	*	*	H	α-helix	trans	-71	-32.2	177.1	-75	179.8	179.9	175.1	0	113.2	E195 Q196 K201	E195-K199 PolarHBondContact O-N 2.9Å; E195-K199 VanDerWaalsContact O-N 3.07Å; Q196-K199 PolarHBondContact O-N 2.8Å; K199-K201 VanDerWaalsContact C-N 3.31Å; K199-K201 PolarHBondContact O-N 3.09Å
200	S	52.4	Low	47.3	Very low	74 Å²	74	128.5 Å²	128.5	52%	0.517	67%	0.671	S	S	.	*	H	α-helix	trans	-75	-17.4	177.2	48.7	0	0	0	0	113.9	Q196 N197 Q202	Q196-S200 PolarHBondContact O-N 2.93Å; Q196-S200 VanDerWaalsContact O-N 3.15Å; Q196-S200 PolarHBondContact O-OG 3.45Å; N197-S200 PolarHBondContact O-OG 3.23Å; S200-Q202 PolarHBondContact O-N 3.32Å
201	K	42.1	Very low	46.1	Very low	178 Å²	178	131.7 Å²	131.7	77%	0.774	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	0.4	-179.6	-83.3	-172.5	175.5	-177.9	0	116.2	L198 K199	L198-K201 PolarHBondContact O-N 3.33Å; K199-K201 VanDerWaalsContact C-N 3.31Å; K199-K201 PolarHBondContact O-N 3.09Å
202	Q	38.2	Very low	43.7	Very low	175 Å²	175	137.6 Å²	137.6	82%	0.818	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-1.1	173.2	-75.3	-167.1	-6.3	0	0	114.5	S200	S200-Q202 PolarHBondContact O-N 3.32Å
203	N	32	Very low	42	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	72%	0.72	S	S	*	*			trans	-128	54.5	-176.4	-101.8	2.1	0	0	0	113.2
204	E	32.2	Very low	40.1	Very low	192 Å²	192	145 Å²	145	90%	0.897	73%	0.729	S	S	*	*			trans	-137.6	94	155	-77.9	-152.9	158.1	0	0	110.7
205	N	28.6	Very low	38.8	Very low	151 Å²	151	145.5 Å²	145.5	81%	0.807	74%	0.742	S	S	*	*			trans	-77.9	133.6	166.7	-98.6	-28.3	0	0	0	110
206	N	27.5	Very low	37.1	Very low	130 Å²	130	145.3 Å²	145.3	70%	0.695	75%	0.754	S	S	*	*			trans	53	99	148.2	-66.5	-26.6	0	0	0	118.4
207	N	30.4	Very low	35.3	Very low	161 Å²	161	149.6 Å²	149.6	86%	0.861	77%	0.771	S	S	*	*			trans	-145.8	101.4	134.9	-95.6	-29.4	0	0	0	110.8
208	R	24.2	Very low	33.8	Very low	242 Å²	242	154.1 Å²	154.1	91%	0.913	79%	0.789	S	S	*	*			trans	-75.6	116.2	167.4	-71	176.3	174	165.8	-2.1	107.8
209	I	28.5	Very low	32.2	Very low	139 Å²	139	154.2 Å²	154.2	71%	0.713	80%	0.799	S	S	*	*			trans	-118.3	98.7	164	-57.7	-177.1	0	0	0	107.6	L211	I209-L211 HydrophobicContact CG2-CD1 3.76Å; I209-L211 HydrophobicContact CG2-CG 4.41Å
210	S	25	Very low	31.2	Very low	111 Å²	111	154.8 Å²	154.8	78%	0.776	81%	0.809	S	S	*	*			trans	-87.4	119	165.6	173.3	0	0	0	0	107.5
211	L	30.3	Very low	30.5	Very low	152 Å²	152	154 Å²	154	80%	0.796	81%	0.813	S	S	*	*			trans	-135.3	106.2	168.6	-93.4	153.3	0	0	0	108.6	I209	I209-L211 HydrophobicContact CG2-CD1 3.76Å; I209-L211 HydrophobicContact CG2-CG 4.41Å
212	M	23.6	Very low	30.5	Very low	174 Å²	174	151.2 Å²	151.2	86%	0.857	82%	0.816	S	S	*	*			trans	-78.7	127.7	168.6	-70.8	-170.8	78.1	0	0	110.4
213	Y	29.6	Very low	30.6	Very low	229 Å²	229	154.7 Å²	154.7	90%	0.898	82%	0.821	S	S	*	*			trans	-154.9	115	151.8	-102.1	-91.1	0	0	0	103.6
214	G	24.4	Very low	31.1	Very low	65 Å²	65	158.8 Å²	158.8	67%	0.67	83%	0.825	S	S	*	*				94.9	85	52.6	0	0	0	0	0	108.6
215	S	32.8	Very low	31.5	Very low	121 Å²	121	152.4 Å²	152.4	85%	0.846	81%	0.811	S	S	*	*			trans	-176.8	104.6	155.3	-82.1	0	0	0	0	111.6
216	S	28.5	Very low	32.6	Very low	120 Å²	120	152.8 Å²	152.8	84%	0.839	82%	0.818	S	S	*	*			trans	-70.8	122.2	169.1	49.4	0	0	0	0	111.4
217	K	30.1	Very low	33.6	Very low	205 Å²	205	157.8 Å²	157.8	89%	0.891	83%	0.828	S	S	*	*			trans	-118.6	108.2	161	-77.2	-170.7	178	178.5	0	110.2
218	Q	29.9	Very low	34.3	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	81%	0.814	S	S	*	*			trans	4.7	106.4	158.6	-62.7	171.7	5.5	0	0	116.3
219	S	31.1	Very low	35.8	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	81%	0.809	S	S	*	*			trans	-87.9	107.3	166.4	171.3	0	0	0	0	108.7
220	L	33.1	Very low	37.1	Very low	178 Å²	178	150.2 Å²	150.2	93%	0.932	81%	0.812	S	S	*	*			trans	-77.8	113.2	163	-72	167.3	0	0	0	107.5
221	G	38.7	Very low	38.8	Very low	59 Å²	59	150.9 Å²	150.9	61%	0.608	81%	0.811	S	S	*	*	S	Bend	trans	124.6	84.5	176.2	0	0	0	0	0	111.7	R223	G221-R223 PolarHBondContact O-N 2.72Å
222	S	42.5	Very low	39.4	Very low	119 Å²	119	146.7 Å²	146.7	83%	0.832	79%	0.793	S	S	*	*			trans	-51.2	128	170.7	-169.2	0	0	0	0	110.2	R224	S222-R224 PolarHBondContact O-N 2.74Å
223	R	39.8	Very low	40.2	Very low	247 Å²	247	144.2 Å²	144.2	93%	0.932	79%	0.79	S	S	*	*			trans	-53.6	94.3	-179.4	-66	176.3	-177.7	-116.8	1.5	110.7	G221	G221-R223 PolarHBondContact O-N 2.72Å
224	R	41.8	Very low	41.2	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	78%	0.783	S	S	*	*			trans	-92.4	107.1	161.5	-85.7	179.2	175.5	162.1	-1.2	107.3	S222	S222-R224 PolarHBondContact O-N 2.74Å
225	G	40.3	Very low	42.1	Very low	58 Å²	58	148 Å²	148	60%	0.598	80%	0.796	S	S	*	*			trans	-55.3	161.4	179.2	0	0	0	0	0	112.2	R227 G228	G225-R227 PolarHBondContact O-N 3.34Å; G225-G228 PolarHBondContact O-N 3.23Å; G225-G228 VanDerWaalsContact O-N 3.12Å
226	V	52.8	Low	42.7	Very low	159 Å²	159	151.4 Å²	151.4	96%	0.964	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-1.4	-170.5	-178.3	0	0	0	0	115.7
227	R	48.2	Very low	43.1	Very low	235 Å²	235	153.2 Å²	153.2	89%	0.887	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	16.9	177.7	-67.6	-174	177.1	-175.9	-1.2	114.4	G225 N229	G225-R227 PolarHBondContact O-N 3.34Å; R227-N229 PolarHBondContact O-N 2.9Å; R227-N229 VanDerWaalsContact O-N 3.16Å; R227-N229 PolarHBondContact O-OD1 3Å
228	G	44.4	Very low	43.2	Very low	56 Å²	56	148.9 Å²	148.9	58%	0.577	79%	0.791	S	S	*	*			trans	-68.9	109	173.8	0	0	0	0	0	110.9	G225 F230	G225-G228 PolarHBondContact O-N 3.23Å; G225-G228 VanDerWaalsContact O-N 3.12Å; G228-F230 PolarHBondContact O-N 3.4Å
229	N	56.2	Low	43.3	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	79%	0.788	S	S	*	*			trans	-53.6	126.3	170.7	-65.8	43.9	0	0	0	109.5	R227 V231	R227-N229 PolarHBondContact O-N 2.9Å; R227-N229 VanDerWaalsContact O-N 3.16Å; R227-N229 PolarHBondContact O-OD1 3Å; N229-V231 PolarHBondContact O-N 3.35Å
230	F	57	Low	43.2	Very low	177 Å²	177	147.1 Å²	147.1	78%	0.776	79%	0.788	S	S	*	*			trans	-61.8	128.4	173.1	176.3	-104.4	0	0	0	109.6	G228 P232	G228-F230 PolarHBondContact O-N 3.4Å; F230-P232 HydrophobicContact CD1-CG 4.07Å; F230-P232 HydrophobicContact CE1-CB 4.18Å; F230-P232 HydrophobicContact CE1-CG 3.93Å; F230-P232 WeakPolarHBondContact O-CD 3.42Å
231	V	60.5	Low	43	Very low	125 Å²	125	144 Å²	144	76%	0.758	78%	0.776	S	S	*	*			trans	-105.1	107.3	176.3	-177	0	0	0	0	107.5	N229	N229-V231 PolarHBondContact O-N 3.35Å
232	P	41.3	Very low	42.4	Very low	65 Å²	65	147 Å²	147	42%	0.422	79%	0.788	S	S	.	*			trans	-64.2	151.9	174.9	-16.9	29.3	0	0	0	111.3	F230 F234	F230-P232 HydrophobicContact CD1-CG 4.07Å; F230-P232 HydrophobicContact CE1-CB 4.18Å; F230-P232 HydrophobicContact CE1-CG 3.93Å; F230-P232 WeakPolarHBondContact O-CD 3.42Å; P232-F234 PolarHBondContact O-N 3.38Å
233	P	42.3	Very low	41.8	Very low	121 Å²	121	150 Å²	150	79%	0.786	79%	0.786	S	S	*	*	S	Bend	trans	-75.5	9.6	-174.6	-10.3	27.5	0	0	0	115.1
234	F	50.5	Low	41.2	Very low	173 Å²	173	143.3 Å²	143.3	76%	0.759	78%	0.777	S	S	*	*	S	Bend	trans	-107.7	129.7	-176.6	-60.3	-74.4	0	0	0	109.8	P232 K236	P232-F234 PolarHBondContact O-N 3.38Å; F234-K236 PolarHBondContact O-N 3.06Å; F234-K236 VanDerWaalsContact O-N 3.16Å
235	E	43.4	Very low	40.4	Very low	200 Å²	200	138.9 Å²	138.9	94%	0.935	78%	0.776	S	S	*	*			trans	-56	115.6	168.3	-91.2	175.8	150.5	0	0	108.7
236	K	43.7	Very low	39.8	Very low	194 Å²	194	140 Å²	140	84%	0.843	78%	0.775	S	S	*	*			trans	-91.4	121.2	164	-84.8	-173.7	172.9	-175.5	0	107.5	F234 S238	F234-K236 PolarHBondContact O-N 3.06Å; F234-K236 VanDerWaalsContact O-N 3.16Å; K236-S238 PolarHBondContact O-N 3.17Å
237	D	38.3	Very low	38.5	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	77%	0.768	S	S	*	*			trans	-49.4	135	168.6	-70.1	-49.8	0	0	0	110.2	D239	D237-D239 PolarHBondContact O-N 3.18Å; D237-D239 VanDerWaalsContact O-N 3.14Å
238	S	31.2	Very low	37.7	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	77%	0.766	S	S	*	*			trans	-58.2	109.1	-175.4	52.2	0	0	0	0	111.7	K236	K236-S238 PolarHBondContact O-N 3.17Å
239	D	33.3	Very low	37	Very low	154 Å²	154	141 Å²	141	82%	0.824	77%	0.773	S	S	*	*			trans	-133	104.9	153.4	-98.7	-27.1	0	0	0	110.5	D237 T241	D237-D239 PolarHBondContact O-N 3.18Å; D237-D239 VanDerWaalsContact O-N 3.14Å; D239-T241 PolarHBondContact O-N 3.04Å
240	S	28.3	Very low	35.7	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	77%	0.77	S	S	*	*			trans	-59.9	107.3	169.8	47.1	0	0	0	0	111.1
241	T	28.6	Very low	34.5	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	77%	0.772	S	S	*	*			trans	-145.1	94	153.8	27.6	0	0	0	0	111.3	D239 K243	D239-T241 PolarHBondContact O-N 3.04Å; T241-K243 PolarHBondContact O-N 3.47Å; T241-K243 VanDerWaalsContact O-N 3.15Å
242	S	26.9	Very low	33	Very low	124 Å²	124	139.6 Å²	139.6	87%	0.867	78%	0.776	S	S	*	*			trans	-60.7	103.8	157.4	-22.6	0	0	0	0	108.2
243	K	29.2	Very low	32.5	Very low	182 Å²	182	144 Å²	144	79%	0.791	79%	0.788	S	S	*	*			trans	-128	96.6	168.6	-84.5	-175.8	179.1	174.1	0	110.7	T241	T241-K243 PolarHBondContact O-N 3.47Å; T241-K243 VanDerWaalsContact O-N 3.15Å
244	S	28	Very low	32.1	Very low	105 Å²	105	144 Å²	144	73%	0.734	79%	0.791	S	S	*	*			trans	29.9	111.5	136.1	-50.2	0	0	0	0	118	S246	S244-S246 PolarHBondContact O-N 3.33Å
245	T	23.8	Very low	31.4	Very low	143 Å²	143	142.2 Å²	142.2	88%	0.877	79%	0.785	S	S	*	*			trans	-32.5	98.4	147.2	17.8	0	0	0	0	112.2	N247	T245-N247 PolarHBondContact O-N 2.71Å
246	S	28.5	Very low	31.3	Very low	81 Å²	81	136.6 Å²	136.6	57%	0.566	77%	0.773	S	S	*	*			trans	-77.9	101.1	166.7	55.4	0	0	0	0	108.3	S244 Y248	S244-S246 PolarHBondContact O-N 3.33Å; S246-Y248 PolarHBondContact O-N 2.96Å
247	N	25.1	Very low	31.5	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	77%	0.768	S	S	*	*			trans	-55.1	102.9	159.7	-84.7	-19.4	0	0	0	107.8	T245 S249	T245-N247 PolarHBondContact O-N 2.71Å; N247-S249 PolarHBondContact O-N 3.23Å
248	Y	31.4	Very low	31.8	Very low	218 Å²	218	131.9 Å²	131.9	86%	0.855	76%	0.764	S	S	*	*			trans	-70.5	94.7	162.6	-79.2	-81.6	0	0	0	107.2	S246	S246-Y248 PolarHBondContact O-N 2.96Å
249	S	29.2	Very low	32.9	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	74%	0.74	S	S	*	*			trans	-49.7	136.5	163.2	39.3	0	0	0	0	110.4	N247 E251	N247-S249 PolarHBondContact O-N 3.23Å; S249-E251 PolarHBondContact O-N 3Å
250	A	29.8	Very low	34.3	Very low	89 Å²	89	123.3 Å²	123.3	74%	0.736	71%	0.712	S	S	*	*			trans	-50.8	103.8	174.6	0	0	0	0	0	111.8
251	E	31.5	Very low	36.4	Very low	179 Å²	179	124.3 Å²	124.3	84%	0.836	70%	0.704	S	S	*	*			trans	-85.6	109.8	155.7	-78.4	-173.1	171.1	0	0	107.6	S249 K253	S249-E251 PolarHBondContact O-N 3Å; E251-K253 PolarHBondContact O-N 2.98Å
252	N	29.6	Very low	38.5	Very low	154 Å²	154	125.2 Å²	125.2	82%	0.824	70%	0.695	S	S	*	*			trans	-57.6	79.5	173.6	-69.6	-37.6	0	0	0	110.7	S254	N252-S254 PolarHBondContact O-N 3.43Å
253	K	30.9	Very low	40.7	Very low	158 Å²	158	119.6 Å²	119.6	69%	0.687	66%	0.655	S	S	*	*			trans	-86.3	91.3	155.3	-90	174.2	159.8	-135.6	0	107.1	E251 E255	E251-K253 PolarHBondContact O-N 2.98Å; K253-E255 HydrophobicContact CB-CG 4.13Å; K253-E255 VanDerWaalsContact CD-OE1 3.32Å; K253-E255 WeakPolarHBondContact CD-OE1 3.39Å; K253-E255 WeakPolarHBondContact CE-OE1 3.39Å; K253-E255 IonicContact NZ-OE1 2.61Å; K253-E255 PolarHBondContact NZ-OE1 3.37Å; K253-E255 PolarHBondContact O-N 3Å
254	S	32.6	Very low	42.9	Very low	121 Å²	121	117 Å²	117	85%	0.846	64%	0.644	S	S	*	*			trans	-63.4	56.1	159.7	49.7	0	0	0	0	110.3	N252 A256	N252-S254 PolarHBondContact O-N 3.43Å; S254-A256 PolarHBondContact O-N 3.45Å
255	E	36.3	Very low	45.3	Very low	135 Å²	135	118.7 Å²	118.7	63%	0.631	64%	0.64	S	S	*	*			trans	-79.1	103.9	169.6	-76.3	176.3	-167.8	0	0	105.6	K253 S257	K253-E255 HydrophobicContact CB-CG 4.13Å; K253-E255 VanDerWaalsContact CD-OE1 3.32Å; K253-E255 WeakPolarHBondContact CD-OE1 3.39Å; K253-E255 WeakPolarHBondContact CE-OE1 3.39Å; K253-E255 IonicContact NZ-OE1 2.61Å; K253-E255 PolarHBondContact NZ-OE1 3.37Å; K253-E255 PolarHBondContact O-N 3Å; E255-S257 PolarHBondContact O-N 3.47Å
256	A	41.2	Very low	48.1	Very low	82 Å²	82	113.3 Å²	113.3	68%	0.678	61%	0.605	S	S	*	*			trans	-26.1	102.4	-178	0	0	0	0	0	113.3	S254 I258	S254-A256 PolarHBondContact O-N 3.45Å; A256-I258 HydrophobicContact CB-CG1 4.17Å; A256-I258 PolarHBondContact O-N 3.47Å
257	S	47.1	Very low	50.6	Low	106 Å²	106	113 Å²	113	74%	0.741	60%	0.597	S	S	*	*			trans	-66.7	84.6	162.2	65.6	0	0	0	0	106.4	E255 C259	E255-S257 PolarHBondContact O-N 3.47Å; S257-C259 PolarHBondContact O-N 3.42Å
258	I	46.3	Very low	53.4	Low	148 Å²	148	109.8 Å²	109.8	76%	0.759	58%	0.577	S	S	*	*			trans	-70.4	70.1	163.3	-54.1	171.7	0	0	0	105.1	A256 D260	A256-I258 HydrophobicContact CB-CG1 4.17Å; A256-I258 PolarHBondContact O-N 3.47Å; I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 PolarHBondContact O-N 3.11Å; I258-D260 VanDerWaalsContact O-N 3.12Å
259	C	54.2	Low	55.9	Low	44 Å²	44	107.5 Å²	107.5	30%	0.297	57%	0.571	S	S	.	*			trans	-79.5	92.7	166.8	-83.6	0	0	0	0	105.4	S257 E261	S257-C259 PolarHBondContact O-N 3.42Å; C259-E261 PolarHBondContact O-N 3.19Å
260	D	62.5	Low	58.5	Low	42 Å²	42	103 Å²	103	23%	0.225	54%	0.539	C	S	.	.			trans	-44.9	132	161.5	-173.1	-33.5	0	0	0	108	I258 R262 L263 I378	I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 PolarHBondContact O-N 3.11Å; I258-D260 VanDerWaalsContact O-N 3.12Å; D260-R262 PolarHBondContact O-N 2.79Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.4Å; D260-R262 PolarHBondContact OD1-N 3.24Å; D260-R262 VanDerWaalsContact OD1-N 3.09Å; D260-R262 IonicContact OD1-NE 3.27Å; D260-R262 PolarHBondContact OD1-NE 3.43Å; D260-R262 IonicContact OD2-CZ 3.78Å; D260-R262 IonicContact OD2-NE 2.79Å; D260-R262 PolarHBondContact OD2-NE 2.74Å; D260-R262 VanDerWaalsContact OD2-NE 3.09Å; D260-R262 IonicContact OD2-NH2 3.24Å; D260-R262 PolarHBondContact OD2-NH2 2.92Å; D260-L263 HydrophobicContact CB-CD1 4.23Å; D260-L263 HydrophobicContact CB-CG 4.24Å; D260-L263 WeakPolarHBondContact O-CB 3.49Å; D260-L263 PolarHBondContact O-N 3.14Å; D260-I378 HydrophobicContact CB-CD1 4.12Å; D260-I378 WeakPolarHBondContact OD2-CG1 3.44Å
261	E	72.5	Confident	61.1	Low	133 Å²	133	98.8 Å²	98.8	62%	0.621	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-51.1	-30.3	-179.1	-71.6	-66.8	148.4	0	0	111.7	C259 L263 K264	C259-E261 PolarHBondContact O-N 3.19Å; E261-L263 PolarHBondContact O-N 2.74Å; E261-K264 PolarHBondContact O-N 3.04Å; E261-K264 WeakPolarHBondContact OE1-CE 3.46Å; E261-K264 IonicContact OE1-NZ 2.76Å; E261-K264 PolarHBondContact OE1-NZ 2.95Å; E261-K264 WeakPolarHBondContact OE2-CD 3.49Å; E261-K264 VanDerWaalsContact OE2-CE 3.27Å; E261-K264 WeakPolarHBondContact OE2-CE 3.34Å; E261-K264 IonicContact OE2-NZ 3.64Å; E261-K264 PolarHBondContact OE2-NZ 2.87Å
262	R	72.6	Confident	63.6	Low	132 Å²	132	94.2 Å²	94.2	50%	0.498	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-65.6	-20	177	-63.3	-178.6	-71	178.8	-4.3	114.1	D260 Q265 I378	D260-R262 PolarHBondContact O-N 2.79Å; D260-R262 WeakPolarHBondContact OD1-CB 3.4Å; D260-R262 WeakPolarHBondContact OD1-CG 3.4Å; D260-R262 PolarHBondContact OD1-N 3.24Å; D260-R262 VanDerWaalsContact OD1-N 3.09Å; D260-R262 IonicContact OD1-NE 3.27Å; D260-R262 PolarHBondContact OD1-NE 3.43Å; D260-R262 IonicContact OD2-CZ 3.78Å; D260-R262 IonicContact OD2-NE 2.79Å; D260-R262 PolarHBondContact OD2-NE 2.74Å; D260-R262 VanDerWaalsContact OD2-NE 3.09Å; D260-R262 IonicContact OD2-NH2 3.24Å; D260-R262 PolarHBondContact OD2-NH2 2.92Å; R262-Q265 WeakPolarHBondContact O-CG 3.33Å; R262-Q265 PolarHBondContact O-NE2 3.39Å; R262-I378 HydrophobicContact CB-CD1 4.47Å
263	L	73.5	Confident	66.1	Low	5 Å²	5	88.7 Å²	88.7	3%	0.026	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-85.8	-19.3	179.1	-64.5	176.8	0	0	0	112.9	D260 E261 Q265 F266 V271 I375 I378	D260-L263 HydrophobicContact CB-CD1 4.23Å; D260-L263 HydrophobicContact CB-CG 4.24Å; D260-L263 WeakPolarHBondContact O-CB 3.49Å; D260-L263 PolarHBondContact O-N 3.14Å; E261-L263 PolarHBondContact O-N 2.74Å; L263-Q265 PolarHBondContact O-N 2.86Å; L263-Q265 VanDerWaalsContact O-N 3.13Å; L263-F266 PolarHBondContact O-N 2.79Å; L263-V271 HydrophobicContact CD1-CG1 4.15Å; L263-V271 HydrophobicContact CD2-CG1 4.39Å; L263-V271 HydrophobicContact CD2-CG2 4.49Å; L263-I375 HydrophobicContact CD2-CD1 4.41Å; L263-I375 HydrophobicContact CD2-CG1 3.56Å; L263-I378 HydrophobicContact CD1-CD1 3.97Å; L263-I378 HydrophobicContact CD2-CD1 3.4Å; L263-I378 VanDerWaalsContact CD2-CD1 3.4Å; L263-I378 HydrophobicContact CG-CD1 3.53Å
264	K	74.3	Confident	68.6	Low	129 Å²	129	81.1 Å²	81.1	56%	0.561	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20	-178.8	-65.2	-175.7	-176.7	169.2	0	113.9	E261 F266	E261-K264 PolarHBondContact O-N 3.04Å; E261-K264 WeakPolarHBondContact OE1-CE 3.46Å; E261-K264 IonicContact OE1-NZ 2.76Å; E261-K264 PolarHBondContact OE1-NZ 2.95Å; E261-K264 WeakPolarHBondContact OE2-CD 3.49Å; E261-K264 VanDerWaalsContact OE2-CE 3.27Å; E261-K264 WeakPolarHBondContact OE2-CE 3.34Å; E261-K264 IonicContact OE2-NZ 3.64Å; E261-K264 PolarHBondContact OE2-NZ 2.87Å; K264-F266 PolarHBondContact O-N 3.31Å
265	Q	78.1	Confident	71.1	Confident	140 Å²	140	78.7 Å²	78.7	65%	0.654	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-15.6	175.8	72.4	-173.1	-41.1	0	0	113.2	R262 L263	R262-Q265 WeakPolarHBondContact O-CG 3.33Å; R262-Q265 PolarHBondContact O-NE2 3.39Å; L263-Q265 PolarHBondContact O-N 2.86Å; L263-Q265 VanDerWaalsContact O-N 3.13Å
266	F	82.5	Confident	73	Confident	30 Å²	30	76.5 Å²	76.5	13%	0.132	40%	0.398	C	S	.	.	S	Bend	trans	-105.9	152.9	-178.6	-61.6	-67	0	0	0	111.3	L263 K264 Q268 V271 R370 A371 S374	L263-F266 PolarHBondContact O-N 2.79Å; K264-F266 PolarHBondContact O-N 3.31Å; F266-Q268 PolarHBondContact O-N 3.07Å; F266-V271 HydrophobicContact CB-CG2 3.87Å; F266-R370 HydrophobicContact CE1-CB 3.66Å; F266-R370 HydrophobicContact CZ-CB 4.02Å; F266-A371 HydrophobicContact CB-CB 4.39Å; F266-A371 HydrophobicContact CD1-CB 3.8Å; F266-A371 HydrophobicContact CD2-CB 4.21Å; F266-A371 HydrophobicContact CE1-CB 4.11Å; F266-A371 HydrophobicContact CE2-CB 4.48Å; F266-A371 HydrophobicContact CG-CB 3.86Å; F266-A371 HydrophobicContact CZ-CB 4.44Å; F266-S374 VanDerWaalsContact CE2-CB 3.49Å; F266-S374 WeakPolarHBondContact CE2-OG 3.38Å; F266-S374 WeakPolarHBondContact CZ-OG 3.49Å
267	D	82.5	Confident	74.6	Confident	75 Å²	75	78.6 Å²	78.6	40%	0.401	39%	0.394	S	S	.	.			trans	-61.3	122.1	172.2	-66.7	-50	0	0	0	108.8	K269 I270 V271 K367	D267-K269 PolarHBondContact O-N 2.87Å; D267-I270 HydrophobicContact CB-CD1 4.01Å; D267-I270 HydrophobicContact CB-CG1 4.06Å; D267-I270 WeakPolarHBondContact O-CB 3.41Å; D267-I270 PolarHBondContact O-N 2.95Å; D267-V271 PolarHBondContact O-N 3.38Å; D267-K367 IonicContact OD2-NZ 3.39Å; D267-K367 PolarHBondContact OD2-NZ 2.9Å
268	Q	82.2	Confident	76.1	Confident	83 Å²	83	74.1 Å²	74.1	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-52.8	-34.9	-176.9	-173.1	63.1	48.2	0	0	112.2	F266 I270 V271 D272	F266-Q268 PolarHBondContact O-N 3.07Å; Q268-I270 VanDerWaalsContact C-N 3.29Å; Q268-I270 PolarHBondContact O-N 3Å; Q268-V271 PolarHBondContact O-N 2.76Å; Q268-V271 VanDerWaalsContact O-N 3.14Å; Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 VanDerWaalsContact O-CG 3.24Å; Q268-D272 PolarHBondContact O-N 2.81Å
269	K	84.2	Confident	77.7	Confident	171 Å²	171	69.3 Å²	69.3	74%	0.743	34%	0.336	S	S	*	.	H	α-helix	trans	-58	-38.1	175.4	-64.5	-179.3	-179	176	0	113.3	D267 M273	D267-K269 PolarHBondContact O-N 2.87Å; K269-M273 WeakPolarHBondContact O-CB 3.35Å; K269-M273 PolarHBondContact O-N 2.97Å
270	I	83.6	Confident	78.7	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-72.5	-40.4	178.2	-61.7	178.1	0	0	0	109.4	D267 Q268 M273 I274 K367 L368 A371	D267-I270 HydrophobicContact CB-CD1 4.01Å; D267-I270 HydrophobicContact CB-CG1 4.06Å; D267-I270 WeakPolarHBondContact O-CB 3.41Å; D267-I270 PolarHBondContact O-N 2.95Å; Q268-I270 VanDerWaalsContact C-N 3.29Å; Q268-I270 PolarHBondContact O-N 3Å; I270-M273 PolarHBondContact O-N 2.89Å; I270-I274 HydrophobicContact CG2-CD1 3.89Å; I270-I274 HydrophobicContact CG2-CG1 4.5Å; I270-I274 WeakPolarHBondContact O-CD1 3.1Å; I270-I274 VanDerWaalsContact O-CG1 3.27Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.26Å; I270-K367 HydrophobicContact CD1-CB 3.86Å; I270-K367 HydrophobicContact CD1-CD 4.16Å; I270-L368 HydrophobicContact CG2-CB 4.49Å; I270-L368 HydrophobicContact CG2-CD1 3.81Å; I270-A371 HydrophobicContact CG2-CB 3.8Å
271	V	84.2	Confident	78.7	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-52.2	178.7	178.5	0	0	0	0	111	L263 F266 D267 Q268 M273 I274 M275 I375	L263-V271 HydrophobicContact CD1-CG1 4.15Å; L263-V271 HydrophobicContact CD2-CG1 4.39Å; L263-V271 HydrophobicContact CD2-CG2 4.49Å; F266-V271 HydrophobicContact CB-CG2 3.87Å; D267-V271 PolarHBondContact O-N 3.38Å; Q268-V271 PolarHBondContact O-N 2.76Å; Q268-V271 VanDerWaalsContact O-N 3.14Å; V271-M273 PolarHBondContact O-N 2.81Å; V271-I274 PolarHBondContact O-N 3.31Å; V271-M275 HydrophobicContact CG1-SD 4.15Å; V271-M275 WeakPolarHBondContact O-CG 3.44Å; V271-M275 PolarHBondContact O-N 3.33Å; V271-I375 HydrophobicContact CB-CD1 4.36Å; V271-I375 HydrophobicContact CG1-CD1 3.98Å; V271-I375 HydrophobicContact CG2-CD1 4.44Å
272	D	84.7	Confident	78.2	Confident	83 Å²	83	75.5 Å²	75.5	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-57.4	-41.2	179.7	-66.1	-20	0	0	0	111.1	Q268 M275 S276	Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 VanDerWaalsContact O-CG 3.24Å; Q268-D272 PolarHBondContact O-N 2.81Å; D272-M275 PolarHBondContact O-N 2.95Å; D272-S276 WeakPolarHBondContact O-CB 3.46Å; D272-S276 PolarHBondContact O-N 2.95Å; D272-S276 PolarHBondContact O-OG 2.86Å; D272-S276 VanDerWaalsContact O-OG 3.14Å
273	M	82.1	Confident	77.9	Confident	38 Å²	38	71.2 Å²	71.2	19%	0.187	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-42.9	178	173.2	-161.2	-63.1	0	0	113.2	K269 I270 V271 M275 S276 E277 W361	K269-M273 WeakPolarHBondContact O-CB 3.35Å; K269-M273 PolarHBondContact O-N 2.97Å; I270-M273 PolarHBondContact O-N 2.89Å; V271-M273 PolarHBondContact O-N 2.81Å; M273-M275 VanDerWaalsContact C-N 3.28Å; M273-M275 PolarHBondContact O-N 2.88Å; M273-S276 PolarHBondContact O-N 3.36Å; M273-S276 PolarHBondContact O-OG 2.86Å; M273-E277 WeakPolarHBondContact O-CB 3.24Å; M273-E277 PolarHBondContact O-N 3.3Å; M273-W361 HydrophobicContact CE-CE3 4.23Å; M273-W361 HydrophobicContact CE-CH2 3.22Å; M273-W361 HydrophobicContact CE-CZ2 4.27Å; M273-W361 HydrophobicContact CE-CZ3 3.18Å; M273-W361 HydrophobicContact CG-CH2 4.02Å; M273-W361 HydrophobicContact CG-CZ2 4.31Å; M273-W361 HydrophobicContact SD-CD2 4.47Å; M273-W361 HydrophobicContact SD-CE3 4.02Å; M273-W361 HydrophobicContact SD-CH2 3Å; M273-W361 WeakPolarHBondContact SD-CH2 3.42Å; M273-W361 HydrophobicContact SD-CZ2 3.47Å; M273-W361 WeakPolarHBondContact SD-CZ2 3.34Å; M273-W361 HydrophobicContact SD-CZ3 3.3Å; M273-W361 WeakPolarHBondContact SD-CZ3 3.43Å
274	I	83.8	Confident	78.4	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.395	C	S	.	.	I	π-helix	trans	-61.8	-43.3	174.7	-67.6	161.2	0	0	0	109.8	I270 V271 S276 I278 M279 F350 L368 A371 L372 I375	I270-I274 HydrophobicContact CG2-CD1 3.89Å; I270-I274 HydrophobicContact CG2-CG1 4.5Å; I270-I274 WeakPolarHBondContact O-CD1 3.1Å; I270-I274 VanDerWaalsContact O-CG1 3.27Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.26Å; V271-I274 PolarHBondContact O-N 3.31Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 2.77Å; I274-I278 HydrophobicContact CB-CD1 4.34Å; I274-I278 HydrophobicContact CG1-CD1 3.93Å; I274-I278 HydrophobicContact CG2-CB 4.32Å; I274-I278 HydrophobicContact CG2-CD1 4.41Å; I274-I278 WeakPolarHBondContact O-CB 3.29Å; I274-I278 PolarHBondContact O-N 3.11Å; I274-I278 VanDerWaalsContact O-N 3.14Å; I274-M279 PolarHBondContact O-N 3Å; I274-F350 HydrophobicContact CG2-CD1 4.25Å; I274-F350 HydrophobicContact CG2-CE1 4.17Å; I274-L368 HydrophobicContact CD1-CD1 3.89Å; I274-L368 HydrophobicContact CG1-CD1 3.66Å; I274-A371 HydrophobicContact CD1-CB 3.51Å; I274-L372 HydrophobicContact CD1-CB 4.39Å; I274-L372 HydrophobicContact CG2-CD1 3.95Å; I274-I375 HydrophobicContact CB-CD1 3.77Å; I274-I375 HydrophobicContact CD1-CD1 3.56Å; I274-I375 HydrophobicContact CG1-CD1 4.28Å; I274-I375 HydrophobicContact CG2-CB 4.48Å; I274-I375 HydrophobicContact CG2-CD1 3.75Å; I274-I375 HydrophobicContact CG2-CG2 4.3Å
275	M	83.7	Confident	79.2	Confident	70 Å²	70	71 Å²	71	35%	0.345	37%	0.374	S	S	.	.	I	π-helix	trans	-66.2	-32.4	179	-71.1	-177.2	147.6	0	0	113	V271 D272 M273 M279	V271-M275 HydrophobicContact CG1-SD 4.15Å; V271-M275 WeakPolarHBondContact O-CG 3.44Å; V271-M275 PolarHBondContact O-N 3.33Å; D272-M275 PolarHBondContact O-N 2.95Å; M273-M275 VanDerWaalsContact C-N 3.28Å; M273-M275 PolarHBondContact O-N 2.88Å; M275-M279 HydrophobicContact CG-CE 4.17Å; M275-M279 WeakPolarHBondContact O-CB 3.42Å
276	S	76.9	Confident	79.8	Confident	88 Å²	88	66.8 Å²	66.8	62%	0.615	36%	0.357	S	S	*	.	I	π-helix	trans	-90.1	-41	-178.8	66.4	0	0	0	0	114.4	D272 M273 I274	D272-S276 WeakPolarHBondContact O-CB 3.46Å; D272-S276 PolarHBondContact O-N 2.95Å; D272-S276 PolarHBondContact O-OG 2.86Å; D272-S276 VanDerWaalsContact O-OG 3.14Å; M273-S276 PolarHBondContact O-N 3.36Å; M273-S276 PolarHBondContact O-OG 2.86Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 2.77Å
277	E	75.2	Confident	80.3	Confident	126 Å²	126	66.5 Å²	66.5	59%	0.589	36%	0.355	S	S	*	.	I	π-helix	trans	-99.2	-34.2	-171.2	-65.2	-166.3	175.5	0	0	113.6	M273	M273-E277 WeakPolarHBondContact O-CB 3.24Å; M273-E277 PolarHBondContact O-N 3.3Å
278	I	78.6	Confident	80.7	Confident	12 Å²	12	68.9 Å²	68.9	6%	0.062	37%	0.368	C	S	.	.	I	π-helix	trans	-100	-32.8	-170.3	-61.5	168.2	0	0	0	110.9	I274 D280 F350 S351 I352 L368 L372	I274-I278 HydrophobicContact CB-CD1 4.34Å; I274-I278 HydrophobicContact CG1-CD1 3.93Å; I274-I278 HydrophobicContact CG2-CB 4.32Å; I274-I278 HydrophobicContact CG2-CD1 4.41Å; I274-I278 WeakPolarHBondContact O-CB 3.29Å; I274-I278 PolarHBondContact O-N 3.11Å; I274-I278 VanDerWaalsContact O-N 3.14Å; I278-D280 PolarHBondContact O-N 2.93Å; I278-F350 HydrophobicContact CG2-CB 3.91Å; I278-F350 HydrophobicContact CG2-CD1 4.13Å; I278-F350 CarbonylContact O-C 3.55Å; I278-F350 WeakPolarHBondContact O-CA 3.48Å; I278-S351 PolarHBondContact O-N 3.5Å; I278-I352 HydrophobicContact CD1-CD1 3.74Å; I278-I352 HydrophobicContact CG1-CD1 4.27Å; I278-I352 HydrophobicContact CG2-CB 4.32Å; I278-L368 HydrophobicContact CD1-CD1 4.4Å; I278-L372 HydrophobicContact CG2-CD1 3.86Å
279	M	79.9	Confident	81.1	Confident	48 Å²	48	68.6 Å²	68.6	24%	0.236	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	106.5	178.4	-166.5	-176.9	-65.2	0	0	110.3	I274 M275 F350 I375	I274-M279 PolarHBondContact O-N 3Å; M275-M279 HydrophobicContact CG-CE 4.17Å; M275-M279 WeakPolarHBondContact O-CB 3.42Å; M279-F350 HydrophobicContact CB-CD1 4.5Å; M279-F350 HydrophobicContact CB-CE1 4.34Å; M279-F350 HydrophobicContact CE-CE1 3.69Å; M279-F350 HydrophobicContact CE-CZ 3.82Å; M279-F350 HydrophobicContact CG-CE1 4.38Å; M279-I375 HydrophobicContact CE-CG2 4.13Å
280	D	75.5	Confident	81.5	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.262	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123	-179.8	-161.7	-8.9	0	0	0	110.2	I278 K282 K339 F349	I278-D280 PolarHBondContact O-N 2.93Å; D280-K282 PolarHBondContact O-N 3.07Å; D280-K339 IonicContact OD2-NZ 2.72Å; D280-K339 PolarHBondContact OD2-NZ 2.94Å; D280-F349 HydrophobicContact CB-CB 4.35Å; D280-F349 HydrophobicContact CB-CD1 3.71Å; D280-F349 PolarHBondContact N-O 2.58Å
281	S	62.3	Low	82	Confident	109 Å²	109	61.3 Å²	61.3	76%	0.762	34%	0.34	S	S	*	.			trans	-79.9	88	178.6	63.2	0	0	0	0	110.9	S283	S281-S283 PolarHBondContact O-N 2.93Å
282	K	62.3	Low	82.4	Confident	190 Å²	190	61.5 Å²	61.5	83%	0.826	34%	0.343	S	S	*	.			trans	44	58.7	158.5	-59.6	-177.6	-178.2	179.3	0	116.1	D280 S284	D280-K282 PolarHBondContact O-N 3.07Å; K282-S284 PolarHBondContact O-N 2.82Å; K282-S284 VanDerWaalsContact O-N 3.16Å
283	S	66.9	Low	82.8	Confident	43 Å²	43	59.1 Å²	59.1	30%	0.301	33%	0.33	S	S	.	.			trans	-63.7	114.2	157.2	61.9	0	0	0	0	108.8	S281 I285 S343	S281-S283 PolarHBondContact O-N 2.93Å; S283-I285 VanDerWaalsContact C-N 3.31Å; S283-I285 PolarHBondContact O-N 3.05Å; S283-S343 PolarHBondContact O-OG 2.94Å
284	S	83.1	Confident	83.3	Confident	107 Å²	107	63 Å²	63	75%	0.748	35%	0.348	S	S	*	.			trans	-75.8	83	178.2	59.8	0	0	0	0	110.1	K282	K282-S284 PolarHBondContact O-N 2.82Å; K282-S284 VanDerWaalsContact O-N 3.16Å
285	I	90.3	Very high	83.7	Confident	22 Å²	22	67.9 Å²	67.9	11%	0.113	37%	0.369	C	S	.	.			trans	-99.9	135.3	178.4	-55.8	-175.5	0	0	0	108.5	S283 D289 L336 K339 C340 S343 Q344	S283-I285 VanDerWaalsContact C-N 3.31Å; S283-I285 PolarHBondContact O-N 3.05Å; I285-D289 HydrophobicContact CG2-CB 3.99Å; I285-L336 HydrophobicContact CD1-CD1 3.72Å; I285-L336 HydrophobicContact CG2-CD1 4.2Å; I285-K339 HydrophobicContact CD1-CB 3.76Å; I285-K339 HydrophobicContact CD1-CD 4.13Å; I285-C340 HydrophobicContact CB-CB 4.47Å; I285-C340 HydrophobicContact CG2-CB 3.86Å; I285-S343 PolarHBondContact N-OG 2.86Å; I285-S343 WeakPolarHBondContact O-CB 3.39Å; I285-S343 PolarHBondContact O-OG 3.25Å; I285-Q344 PolarHBondContact O-NE2 3.48Å
286	T	91.6	Very high	84.1	Confident	51 Å²	51	64.9 Å²	64.9	31%	0.313	36%	0.355	S	S	.	.			trans	-111.9	161.6	-178	66	0	0	0	0	112.2	D288 D289 C340	T286-D288 PolarHBondContact O-N 2.93Å; T286-D289 PolarHBondContact N-OD2 3.47Å; T286-D289 WeakPolarHBondContact O-CB 2.94Å; T286-D289 PolarHBondContact O-N 3.04Å; T286-D289 PolarHBondContact OG1-OD2 3.38Å; T286-C340 PolarHBondContact O-SG 3.48Å
287	W	91.8	Very high	84.9	Confident	24 Å²	24	61.4 Å²	61.4	9%	0.091	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27	173.9	-66.6	114.3	0	0	0	112.3	D289 I290 K297 L300 Q301 I305 C340 I341 Q344	W287-D289 PolarHBondContact O-N 3.48Å; W287-I290 HydrophobicContact CE3-CD1 3.93Å; W287-I290 HydrophobicContact CZ3-CD1 4.1Å; W287-I290 PolarHBondContact O-N 3.21Å; W287-K297 HydrophobicContact CE3-CB 4.44Å; W287-K297 HydrophobicContact CE3-CG 4.04Å; W287-K297 HydrophobicContact CZ3-CG 4.49Å; W287-K297 WeakPolarHBondContact O-CE 3.32Å; W287-K297 PolarHBondContact O-NZ 3.12Å; W287-L300 HydrophobicContact CH2-CB 3.87Å; W287-L300 HydrophobicContact CH2-CD1 4.35Å; W287-L300 HydrophobicContact CZ3-CB 4.4Å; W287-L300 HydrophobicContact CZ3-CD1 4.27Å; W287-Q301 HydrophobicContact CD2-CG 4.46Å; W287-Q301 HydrophobicContact CZ2-CG 3.99Å; W287-I305 HydrophobicContact CZ2-CG1 4.36Å; W287-C340 VanDerWaalsContact CE3-SG 3.6Å; W287-I341 HydrophobicContact CH2-CG1 3.76Å; W287-I341 HydrophobicContact CZ2-CG1 4.5Å; W287-Q344 HydrophobicContact CD2-CG 4.42Å; W287-Q344 HydrophobicContact CG-CG 4.34Å; W287-Q344 HydrophobicContact CZ2-CB 4.36Å; W287-Q344 HydrophobicContact CZ2-CG 4.5Å
288	D	91.4	Very high	85.8	Confident	125 Å²	125	62.4 Å²	62.4	67%	0.668	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-68.6	-24.3	174.8	-65.9	-27.7	0	0	0	111.8	T286 I290 R466	T286-D288 PolarHBondContact O-N 2.93Å; D288-I290 VanDerWaalsContact C-N 3.26Å; D288-I290 PolarHBondContact O-N 2.95Å; D288-R466 PolarHBondContact O-NH1 3.11Å; D288-R466 PolarHBondContact O-NH2 3.39Å
289	D	90.5	Very high	86.5	Confident	77 Å²	77	62.3 Å²	62.3	41%	0.412	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.1	177.2	-62.6	-48.4	0	0	0	113	I285 T286 W287 R466	I285-D289 HydrophobicContact CG2-CB 3.99Å; T286-D289 PolarHBondContact N-OD2 3.47Å; T286-D289 WeakPolarHBondContact O-CB 2.94Å; T286-D289 PolarHBondContact O-N 3.04Å; T286-D289 PolarHBondContact OG1-OD2 3.38Å; W287-D289 PolarHBondContact O-N 3.48Å; D289-R466 PolarHBondContact O-NH1 2.94Å
290	I	93.9	Very high	87.1	Confident	9 Å²	9	60.1 Å²	60.1	5%	0.046	32%	0.32	C	S	.	.	S	Bend	trans	-89.5	125.3	175.3	-62.1	161	0	0	0	109.2	W287 D288 L293 K297 L336 I337 C340 R466	W287-I290 HydrophobicContact CE3-CD1 3.93Å; W287-I290 HydrophobicContact CZ3-CD1 4.1Å; W287-I290 PolarHBondContact O-N 3.21Å; D288-I290 VanDerWaalsContact C-N 3.26Å; D288-I290 PolarHBondContact O-N 2.95Å; I290-L293 HydrophobicContact CG2-CD1 4.09Å; I290-K297 VanDerWaalsContact O-CE 3.26Å; I290-K297 WeakPolarHBondContact O-CE 3.18Å; I290-K297 PolarHBondContact O-NZ 2.84Å; I290-L336 HydrophobicContact CG1-CD2 4.42Å; I290-L336 HydrophobicContact CG1-CG 4.49Å; I290-I337 HydrophobicContact CD1-CG1 3.92Å; I290-I337 HydrophobicContact CG1-CG1 4.48Å; I290-C340 HydrophobicContact CD1-CB 3.65Å; I290-R466 PolarHBondContact O-NH1 3.24Å
291	A	93.3	Very high	87.9	Confident	15 Å²	15	61.1 Å²	61.1	12%	0.124	32%	0.324	C	S	.	.			trans	-84.4	130.3	-178.2	0	0	0	0	0	111.5	A459 Q462 I463	A291-A459 HydrophobicContact CB-CB 4.41Å; A291-Q462 HydrophobicContact CB-CB 3.98Å; A291-I463 HydrophobicContact CB-CD1 4.11Å; A291-I463 HydrophobicContact CB-CG1 3.45Å; A291-I463 VanDerWaalsContact CB-CG1 3.45Å
292	G	92.8	Very high	89.3	Confident	6 Å²	6	61.3 Å²	61.3	6%	0.062	31%	0.312	C	S	.	.	S	Bend	trans	55.8	-137.7	-176	0	0	0	0	0	113.4	E294 K297	G292-E294 PolarHBondContact O-N 3.28Å; G292-K297 WeakPolarHBondContact O-CE 3.49Å; G292-K297 PolarHBondContact O-NZ 3.18Å
293	L	92.2	Very high	90.6	Very high	33 Å²	33	53.1 Å²	53.1	17%	0.173	28%	0.277	C	S	.	.			trans	55.1	34.8	-177.7	-62.3	174.6	0	0	0	113.3	I290 F295 S296 K297 I337 I452 P453	I290-L293 HydrophobicContact CG2-CD1 4.09Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3Å; L293-S296 CarbonylContact O-C 3.57Å; L293-S296 PolarHBondContact O-N 3.44Å; L293-K297 WeakPolarHBondContact O-CG 3.43Å; L293-K297 PolarHBondContact O-N 3.03Å; L293-I337 HydrophobicContact CD1-CD1 4Å; L293-I452 HydrophobicContact CD1-CG2 3.83Å; L293-I452 HydrophobicContact CD2-CG2 4.31Å; L293-P453 HydrophobicContact CD2-CG 3.87Å
294	E	92.8	Very high	91.7	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-57.8	-40	-172.8	-60.3	-51.2	139.9	0	0	113.1	G292 K297 K298	G292-E294 PolarHBondContact O-N 3.28Å; E294-K297 IonicContact OE1-NZ 2.78Å; E294-K297 PolarHBondContact OE1-NZ 3.39Å; E294-K298 WeakPolarHBondContact O-CB 3.42Å; E294-K298 PolarHBondContact O-N 2.75Å
295	F	92	Very high	92	Very high	104 Å²	104	48.6 Å²	48.6	46%	0.456	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-53.2	173.2	177.7	-99.5	0	0	0	111.4	L293 K297 K298 T299 F560	L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3Å; F295-K297 VanDerWaalsContact C-N 3.35Å; F295-K297 PolarHBondContact O-N 3.16Å; F295-K298 PolarHBondContact O-N 3.05Å; F295-T299 PolarHBondContact O-N 3.27Å; F295-T299 PolarHBondContact O-OG1 2.83Å; F295-T299 VanDerWaalsContact O-OG1 3.07Å; F295-F560 HydrophobicContact CE1-CB 3.68Å; F295-F560 HydrophobicContact CE1-CD1 4.39Å; F295-F560 HydrophobicContact CE1-CG 4.14Å; F295-F560 HydrophobicContact CZ-CB 3.92Å; F295-F560 HydrophobicContact CZ-CD1 4.07Å; F295-F560 HydrophobicContact CZ-CG 4.25Å
296	S	93.1	Very high	92	Very high	6 Å²	6	51 Å²	51	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-41.6	179.5	-47.6	0	0	0	0	112.3	L293 T299 L300	L293-S296 CarbonylContact O-C 3.57Å; L293-S296 PolarHBondContact O-N 3.44Å; S296-T299 PolarHBondContact O-N 2.69Å; S296-L300 WeakPolarHBondContact O-CB 3.38Å; S296-L300 WeakPolarHBondContact O-CG 3.16Å; S296-L300 PolarHBondContact O-N 3.07Å
297	K	93.9	Very high	91.9	Very high	15 Å²	15	48.9 Å²	48.9	7%	0.065	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-49.7	175.3	-73.8	175.7	178.6	169.6	0	111.1	W287 I290 G292 L293 E294 F295 T299 L300 Q301	W287-K297 HydrophobicContact CE3-CB 4.44Å; W287-K297 HydrophobicContact CE3-CG 4.04Å; W287-K297 HydrophobicContact CZ3-CG 4.49Å; W287-K297 WeakPolarHBondContact O-CE 3.32Å; W287-K297 PolarHBondContact O-NZ 3.12Å; I290-K297 VanDerWaalsContact O-CE 3.26Å; I290-K297 WeakPolarHBondContact O-CE 3.18Å; I290-K297 PolarHBondContact O-NZ 2.84Å; G292-K297 WeakPolarHBondContact O-CE 3.49Å; G292-K297 PolarHBondContact O-NZ 3.18Å; L293-K297 WeakPolarHBondContact O-CG 3.43Å; L293-K297 PolarHBondContact O-N 3.03Å; E294-K297 IonicContact OE1-NZ 2.78Å; E294-K297 PolarHBondContact OE1-NZ 3.39Å; F295-K297 VanDerWaalsContact C-N 3.35Å; F295-K297 PolarHBondContact O-N 3.16Å; K297-T299 VanDerWaalsContact C-N 3.34Å; K297-T299 PolarHBondContact O-N 2.73Å; K297-L300 PolarHBondContact O-N 2.92Å; K297-Q301 WeakPolarHBondContact O-CB 3.45Å; K297-Q301 VanDerWaalsContact O-CG 3.29Å; K297-Q301 WeakPolarHBondContact O-CG 3.35Å; K297-Q301 PolarHBondContact O-N 3.17Å
298	K	93.5	Very high	91.6	Very high	148 Å²	148	51.1 Å²	51.1	64%	0.643	25%	0.253	S	S	*	.	H	α-helix	trans	-59.4	-46	178.4	-175.4	-179	178.1	-176.5	0	111.4	E294 F295 L300 Q301 E302	E294-K298 WeakPolarHBondContact O-CB 3.42Å; E294-K298 PolarHBondContact O-N 2.75Å; F295-K298 PolarHBondContact O-N 3.05Å; K298-L300 PolarHBondContact O-N 2.96Å; K298-Q301 PolarHBondContact O-N 3.37Å; K298-E302 PolarHBondContact O-N 3.24Å
299	T	92.5	Very high	91.4	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176.6	-60.3	0	0	0	0	112.2	F295 S296 K297 E302 I303 L450 F560	F295-T299 PolarHBondContact O-N 3.27Å; F295-T299 PolarHBondContact O-OG1 2.83Å; F295-T299 VanDerWaalsContact O-OG1 3.07Å; S296-T299 PolarHBondContact O-N 2.69Å; K297-T299 VanDerWaalsContact C-N 3.34Å; K297-T299 PolarHBondContact O-N 2.73Å; T299-E302 PolarHBondContact O-N 3.43Å; T299-I303 HydrophobicContact CG2-CD1 3.81Å; T299-I303 VanDerWaalsContact O-CG1 3.3Å; T299-I303 WeakPolarHBondContact O-CG1 3.4Å; T299-I303 PolarHBondContact O-N 3.38Å; T299-L450 HydrophobicContact CG2-CD1 4.49Å; T299-F560 HydrophobicContact CG2-CD1 4.2Å; T299-F560 HydrophobicContact CG2-CD2 4.15Å; T299-F560 HydrophobicContact CG2-CE1 3.57Å; T299-F560 HydrophobicContact CG2-CE2 3.52Å; T299-F560 HydrophobicContact CG2-CG 4.47Å; T299-F560 HydrophobicContact CG2-CZ 3.2Å
300	L	93.5	Very high	91.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-38	177.7	-70.9	169.8	0	0	0	112.3	W287 S296 K297 K298 E302 I303 V304 L324 I337 I341 L450	W287-L300 HydrophobicContact CH2-CB 3.87Å; W287-L300 HydrophobicContact CH2-CD1 4.35Å; W287-L300 HydrophobicContact CZ3-CB 4.4Å; W287-L300 HydrophobicContact CZ3-CD1 4.27Å; S296-L300 WeakPolarHBondContact O-CB 3.38Å; S296-L300 WeakPolarHBondContact O-CG 3.16Å; S296-L300 PolarHBondContact O-N 3.07Å; K297-L300 PolarHBondContact O-N 2.92Å; K298-L300 PolarHBondContact O-N 2.96Å; L300-E302 VanDerWaalsContact C-N 3.32Å; L300-E302 PolarHBondContact O-N 3.36Å; L300-I303 PolarHBondContact O-N 3.45Å; L300-V304 WeakPolarHBondContact O-CB 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.21Å; L300-V304 PolarHBondContact O-N 3.14Å; L300-L324 HydrophobicContact CD2-CD2 3.54Å; L300-I337 HydrophobicContact CD1-CG2 3.49Å; L300-I337 VanDerWaalsContact CD1-CG2 3.49Å; L300-I341 HydrophobicContact CD1-CD1 4.18Å; L300-I341 HydrophobicContact CD2-CD1 3.91Å; L300-L450 HydrophobicContact CD1-CD2 3.84Å; L300-L450 HydrophobicContact CD2-CD2 3.67Å; L300-L450 HydrophobicContact CG-CD2 3.63Å
301	Q	92.3	Very high	91	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.332	27%	0.272	S	S	.	.	I	π-helix	trans	-61.6	-41.5	173.1	-73.4	173.5	0.8	0	0	111.3	W287 K297 K298 I305 L306	W287-Q301 HydrophobicContact CD2-CG 4.46Å; W287-Q301 HydrophobicContact CZ2-CG 3.99Å; K297-Q301 WeakPolarHBondContact O-CB 3.45Å; K297-Q301 VanDerWaalsContact O-CG 3.29Å; K297-Q301 WeakPolarHBondContact O-CG 3.35Å; K297-Q301 PolarHBondContact O-N 3.17Å; K298-Q301 PolarHBondContact O-N 3.37Å; Q301-I305 HydrophobicContact CB-CG1 4.43Å; Q301-I305 HydrophobicContact CG-CG1 4.33Å; Q301-I305 WeakPolarHBondContact O-CA 3.31Å; Q301-I305 VanDerWaalsContact O-CB 3.31Å; Q301-I305 WeakPolarHBondContact O-CB 3.49Å; Q301-I305 PolarHBondContact O-N 3.27Å; Q301-L306 PolarHBondContact O-N 2.99Å
302	E	92.1	Very high	90.9	Very high	112 Å²	112	59.3 Å²	59.3	52%	0.523	29%	0.289	S	S	.	.	I	π-helix	trans	-63.4	-44.3	175.2	-174.8	-179.9	169.9	0	0	112.5	K298 T299 L300 L306 P307	K298-E302 PolarHBondContact O-N 3.24Å; T299-E302 PolarHBondContact O-N 3.43Å; L300-E302 VanDerWaalsContact C-N 3.32Å; L300-E302 PolarHBondContact O-N 3.36Å; E302-L306 HydrophobicContact CB-CD1 4.16Å; E302-L306 HydrophobicContact CG-CD1 3.91Å; E302-P307 WeakPolarHBondContact O-CD 3.49Å
303	I	89.9	Confident	90.8	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.097	31%	0.305	C	S	.	.	I	π-helix	trans	-73.3	-35.1	-176.5	-71	168	0	0	0	112.4	T299 L300 P307 P321 K448 F560	T299-I303 HydrophobicContact CG2-CD1 3.81Å; T299-I303 VanDerWaalsContact O-CG1 3.3Å; T299-I303 WeakPolarHBondContact O-CG1 3.4Å; T299-I303 PolarHBondContact O-N 3.38Å; L300-I303 PolarHBondContact O-N 3.45Å; I303-P307 WeakPolarHBondContact O-CG 3.33Å; I303-P321 HydrophobicContact CG2-CG 3.57Å; I303-K448 HydrophobicContact CD1-CB 4.35Å; I303-K448 HydrophobicContact CD1-CD 4.45Å; I303-K448 HydrophobicContact CD1-CG 4.06Å; I303-F560 HydrophobicContact CD1-CZ 4.19Å
304	V	89.3	Confident	90.6	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.073	31%	0.308	C	S	.	.	I	π-helix	trans	-112.7	-47.9	-169.5	-172.6	0	0	0	0	112.9	L300 M308 I341 L427	L300-V304 WeakPolarHBondContact O-CB 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.21Å; L300-V304 PolarHBondContact O-N 3.14Å; V304-M308 WeakPolarHBondContact O-CG 3.37Å; V304-I341 HydrophobicContact CB-CG2 4.22Å; V304-I341 HydrophobicContact CG1-CG2 3.72Å; V304-I341 HydrophobicContact CG2-CG2 4.01Å; V304-L427 HydrophobicContact CB-CD2 4.36Å; V304-L427 HydrophobicContact CG1-CD2 3.86Å; V304-L427 HydrophobicContact CG2-CD2 3.54Å
305	I	89.7	Confident	90.2	Very high	42 Å²	42	62.6 Å²	62.6	22%	0.215	31%	0.309	C	S	.	.	I	π-helix	trans	-79.4	-42.5	-171.9	-54.4	-60.4	0	0	0	111.1	W287 Q301 M308 L309 Q344	W287-I305 HydrophobicContact CZ2-CG1 4.36Å; Q301-I305 HydrophobicContact CB-CG1 4.43Å; Q301-I305 HydrophobicContact CG-CG1 4.33Å; Q301-I305 WeakPolarHBondContact O-CA 3.31Å; Q301-I305 VanDerWaalsContact O-CB 3.31Å; Q301-I305 WeakPolarHBondContact O-CB 3.49Å; Q301-I305 PolarHBondContact O-N 3.27Å; I305-M308 PolarHBondContact O-N 2.73Å; I305-M308 VanDerWaalsContact O-N 3.14Å; I305-L309 PolarHBondContact O-N 3.31Å; I305-Q344 HydrophobicContact CD1-CB 4.02Å
306	L	90.7	Very high	90	Very high	74 Å²	74	60.8 Å²	60.8	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-42.9	-179.2	-63.3	-175.9	0	0	0	114	Q301 E302 M308 L309 R310 F314	Q301-L306 PolarHBondContact O-N 2.99Å; E302-L306 HydrophobicContact CB-CD1 4.16Å; E302-L306 HydrophobicContact CG-CD1 3.91Å; L306-M308 PolarHBondContact O-N 3.37Å; L306-L309 PolarHBondContact O-N 3.11Å; L306-L309 VanDerWaalsContact O-N 3.16Å; L306-R310 PolarHBondContact O-N 3.34Å; L306-F314 VanDerWaalsContact C-CE2 3.49Å; L306-F314 HydrophobicContact CB-CE1 4.42Å; L306-F314 HydrophobicContact CB-CE2 3.63Å; L306-F314 HydrophobicContact CB-CZ 3.4Å; L306-F314 HydrophobicContact CD1-CZ 4.19Å; L306-F314 HydrophobicContact CG-CZ 4.47Å
307	P	89.1	Confident	89.7	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.032	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-28.8	174.5	-23.1	31.5	0	0	0	113.9	E302 I303 P311 F314 P320	E302-P307 WeakPolarHBondContact O-CD 3.49Å; I303-P307 WeakPolarHBondContact O-CG 3.33Å; P307-P311 VanDerWaalsContact O-CA 3.26Å; P307-P311 WeakPolarHBondContact O-CA 3.48Å; P307-F314 HydrophobicContact CB-CB 4.14Å; P307-F314 HydrophobicContact CB-CD1 4.26Å; P307-F314 HydrophobicContact CB-CD2 4.21Å; P307-F314 HydrophobicContact CB-CG 3.95Å; P307-F314 HydrophobicContact CG-CB 4.5Å; P307-F314 HydrophobicContact CG-CD1 3.72Å; P307-F314 HydrophobicContact CG-CD2 4.27Å; P307-F314 HydrophobicContact CG-CE1 3.91Å; P307-F314 HydrophobicContact CG-CE2 4.46Å; P307-F314 HydrophobicContact CG-CG 3.91Å; P307-F314 HydrophobicContact CG-CZ 4.29Å; P307-P320 HydrophobicContact CB-CB 3.95Å; P307-P320 HydrophobicContact CB-CG 4.08Å; P307-P320 HydrophobicContact CG-CB 3.74Å; P307-P320 HydrophobicContact CG-CG 4.41Å
308	M	85.7	Confident	89.4	Confident	71 Å²	71	77.2 Å²	77.2	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-78.2	-36.3	175.4	-65.9	-60.3	97	0	0	111.9	V304 I305 L306	V304-M308 WeakPolarHBondContact O-CG 3.37Å; I305-M308 PolarHBondContact O-N 2.73Å; I305-M308 VanDerWaalsContact O-N 3.14Å; L306-M308 PolarHBondContact O-N 3.37Å
309	L	87.3	Confident	89.1	Confident	127 Å²	127	71.9 Å²	71.9	67%	0.665	38%	0.382	S	S	*	.	H	α-helix	trans	-72.9	-39.1	179.5	-172.3	65.6	0	0	0	112.6	I305 L306	I305-L309 PolarHBondContact O-N 3.31Å; L306-L309 PolarHBondContact O-N 3.11Å; L306-L309 VanDerWaalsContact O-N 3.16Å
310	R	89.5	Confident	88.9	Confident	120 Å²	120	73.4 Å²	73.4	45%	0.453	39%	0.392	S	S	.	.			trans	-137.2	67.1	-176.5	-72.4	-63.4	-60.9	-87.4	-1.9	111.6	L306 D312 L313 F314	L306-R310 PolarHBondContact O-N 3.34Å; R310-D312 VanDerWaalsContact C-OD1 3.22Å; R310-D312 WeakPolarHBondContact CA-OD1 3.23Å; R310-D312 IonicContact CZ-OD1 3.5Å; R310-D312 IonicContact CZ-OD2 2.74Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.87Å; R310-D312 IonicContact NE-OD2 3.51Å; R310-D312 PolarHBondContact NE-OD2 2.84Å; R310-D312 IonicContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.53Å; R310-D312 PolarHBondContact NH2-OD2 2.8Å; R310-D312 PolarHBondContact O-N 3.5Å; R310-D312 VanDerWaalsContact O-N 3.07Å; R310-L313 HydrophobicContact CB-CB 4.43Å; R310-L313 HydrophobicContact CB-CD1 3.88Å; R310-L313 HydrophobicContact CB-CG 4.08Å; R310-L313 HydrophobicContact CG-CD1 4.29Å; R310-L313 PolarHBondContact O-N 2.91Å; R310-F314 WeakPolarHBondContact O-CD2 3.29Å
311	P	86.5	Confident	88.7	Confident	63 Å²	63	74.7 Å²	74.7	41%	0.409	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.6	-178.4	23.7	-34.3	0	0	0	113.2	P307 L313 F314	P307-P311 VanDerWaalsContact O-CA 3.26Å; P307-P311 WeakPolarHBondContact O-CA 3.48Å; P311-L313 PolarHBondContact O-N 2.81Å; P311-F314 PolarHBondContact O-N 2.63Å
312	D	90.2	Very high	88.6	Confident	88 Å²	88	72.6 Å²	72.6	47%	0.471	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.9	175.4	62.1	-56.3	0	0	0	114	R310	R310-D312 VanDerWaalsContact C-OD1 3.22Å; R310-D312 WeakPolarHBondContact CA-OD1 3.23Å; R310-D312 IonicContact CZ-OD1 3.5Å; R310-D312 IonicContact CZ-OD2 2.74Å; R310-D312 IonicContact NE-OD1 3.68Å; R310-D312 PolarHBondContact NE-OD1 2.87Å; R310-D312 IonicContact NE-OD2 3.51Å; R310-D312 PolarHBondContact NE-OD2 2.84Å; R310-D312 IonicContact NH2-OD1 2.87Å; R310-D312 IonicContact NH2-OD2 3.53Å; R310-D312 PolarHBondContact NH2-OD2 2.8Å; R310-D312 PolarHBondContact O-N 3.5Å; R310-D312 VanDerWaalsContact O-N 3.07Å
313	L	90.9	Very high	88.7	Confident	77 Å²	77	67.5 Å²	67.5	40%	0.403	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-88.2	-19.5	178.8	-61.8	-179.3	0	0	0	113.4	R310 P311 R318	R310-L313 HydrophobicContact CB-CB 4.43Å; R310-L313 HydrophobicContact CB-CD1 3.88Å; R310-L313 HydrophobicContact CB-CG 4.08Å; R310-L313 HydrophobicContact CG-CD1 4.29Å; R310-L313 PolarHBondContact O-N 2.91Å; P311-L313 PolarHBondContact O-N 2.81Å; L313-R318 VanDerWaalsContact O-CD 3.3Å; L313-R318 WeakPolarHBondContact O-CD 3.4Å
314	F	88.5	Confident	88.9	Confident	52 Å²	52	66.6 Å²	66.6	23%	0.228	36%	0.363	C	S	.	.	S	Bend	trans	-107.5	51.4	-173.6	-68	-95	0	0	0	111.3	L306 P307 R310 P311 R318	L306-F314 VanDerWaalsContact C-CE2 3.49Å; L306-F314 HydrophobicContact CB-CE1 4.42Å; L306-F314 HydrophobicContact CB-CE2 3.63Å; L306-F314 HydrophobicContact CB-CZ 3.4Å; L306-F314 HydrophobicContact CD1-CZ 4.19Å; L306-F314 HydrophobicContact CG-CZ 4.47Å; P307-F314 HydrophobicContact CB-CB 4.14Å; P307-F314 HydrophobicContact CB-CD1 4.26Å; P307-F314 HydrophobicContact CB-CD2 4.21Å; P307-F314 HydrophobicContact CB-CG 3.95Å; P307-F314 HydrophobicContact CG-CB 4.5Å; P307-F314 HydrophobicContact CG-CD1 3.72Å; P307-F314 HydrophobicContact CG-CD2 4.27Å; P307-F314 HydrophobicContact CG-CE1 3.91Å; P307-F314 HydrophobicContact CG-CE2 4.46Å; P307-F314 HydrophobicContact CG-CG 3.91Å; P307-F314 HydrophobicContact CG-CZ 4.29Å; R310-F314 WeakPolarHBondContact O-CD2 3.29Å; P311-F314 PolarHBondContact O-N 2.63Å; F314-R318 WeakPolarHBondContact CA-O 3.44Å; F314-R318 WeakPolarHBondContact CB-O 3.33Å; F314-R318 VanDerWaalsContact CD1-O 3.3Å; F314-R318 WeakPolarHBondContact CD1-O 3.3Å
315	V	85	Confident	89.3	Confident	97 Å²	97	66 Å²	66	59%	0.588	36%	0.359	S	S	*	.			trans	-107.4	154.7	177.9	-61.9	0	0	0	0	111.8	L317 R318	V315-L317 PolarHBondContact O-N 2.75Å; V315-R318 PolarHBondContact O-N 3.33Å; V315-R318 VanDerWaalsContact O-N 3.11Å
316	G	87	Confident	89.7	Confident	67 Å²	67	64 Å²	64	69%	0.691	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	57.3	-125.2	177.9	0	0	0	0	0	112.4	R318 G319	G316-R318 PolarHBondContact O-N 3.1Å; G316-R318 VanDerWaalsContact O-N 3.09Å; G316-G319 PolarHBondContact O-N 2.95Å
317	L	86.7	Confident	90	Very high	190 Å²	190	60.5 Å²	60.5	100%	0.995	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.1	-17.6	179.8	-63.7	179.1	0	0	0	114.2	V315 G319	V315-L317 PolarHBondContact O-N 2.75Å; L317-G319 VanDerWaalsContact C-N 3.33Å
318	R	88.1	Confident	90.3	Very high	176 Å²	176	60.3 Å²	60.3	66%	0.664	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-92.4	8.1	175.3	-63.2	-179.7	-179.8	165.1	0.2	112.7	L313 F314 V315 G316	L313-R318 VanDerWaalsContact O-CD 3.3Å; L313-R318 WeakPolarHBondContact O-CD 3.4Å; F314-R318 WeakPolarHBondContact CA-O 3.44Å; F314-R318 WeakPolarHBondContact CB-O 3.33Å; F314-R318 VanDerWaalsContact CD1-O 3.3Å; F314-R318 WeakPolarHBondContact CD1-O 3.3Å; V315-R318 PolarHBondContact O-N 3.33Å; V315-R318 VanDerWaalsContact O-N 3.11Å; G316-R318 PolarHBondContact O-N 3.1Å; G316-R318 VanDerWaalsContact O-N 3.09Å
319	G	86.3	Confident	90.7	Very high	36 Å²	36	56.9 Å²	56.9	37%	0.371	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-54.9	141.4	178.8	0	0	0	0	0	112.2	G316 L317	G316-G319 PolarHBondContact O-N 2.95Å; L317-G319 VanDerWaalsContact C-N 3.33Å
320	P	88.7	Confident	91	Very high	41 Å²	41	53.4 Å²	53.4	27%	0.266	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-67.3	140.2	-179.5	28	-34	0	0	0	111.1	P307 K322	P307-P320 HydrophobicContact CB-CB 3.95Å; P307-P320 HydrophobicContact CB-CG 4.08Å; P307-P320 HydrophobicContact CG-CB 3.74Å; P307-P320 HydrophobicContact CG-CG 4.41Å; P320-K322 PolarHBondContact O-N 2.8Å
321	P	89.9	Confident	91.2	Very high	28 Å²	28	49.1 Å²	49.1	18%	0.182	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-67.2	128.8	176.6	29.5	-34.2	0	0	0	109.8	I303 L427 V447 K448	I303-P321 HydrophobicContact CG2-CG 3.57Å; P321-L427 WeakPolarHBondContact O-CD1 3.19Å; P321-V447 HydrophobicContact CB-CB 4.27Å; P321-V447 HydrophobicContact CB-CG1 4.45Å; P321-K448 HydrophobicContact CB-CG 4.02Å; P321-K448 HydrophobicContact CG-CG 3.75Å
322	K	89.6	Confident	91.6	Very high	28 Å²	28	47 Å²	47	12%	0.122	28%	0.276	C	S	.	.	S	Bend	trans	-80.8	-19.9	179.4	-53	-67.3	-174.4	179	0	113.3	P320 I418 T419 D422 E424 F428	P320-K322 PolarHBondContact O-N 2.8Å; K322-I418 HydrophobicContact CB-CD1 4.15Å; K322-I418 HydrophobicContact CB-CG1 4.48Å; K322-T419 HydrophobicContact CB-CG2 4.05Å; K322-T419 HydrophobicContact CG-CG2 4.28Å; K322-D422 PolarHBondContact NZ-O 3.45Å; K322-E424 PolarHBondContact NZ-O 3.42Å; K322-F428 WeakPolarHBondContact O-CA 3.42Å; K322-F428 WeakPolarHBondContact O-CB 2.97Å; K322-F428 PolarHBondContact O-N 2.8Å
323	G	93.7	Very high	91.7	Very high	5 Å²	5	44 Å²	44	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.4	-178.6	0	0	0	0	0	112.8	V447 K448	G323-V447 PolarHBondContact O-N 3.34Å; G323-V447 VanDerWaalsContact O-N 3.17Å; G323-K448 PolarHBondContact O-N 3.48Å
324	L	95.3	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.5	178.4	179	67.6	0	0	0	110.7	L300 L326 I341 F428 I429 G430 F446 K448	L300-L324 HydrophobicContact CD2-CD2 3.54Å; L324-L326 HydrophobicContact CD2-CD2 4.17Å; L324-L326 HydrophobicContact CG-CD2 4.3Å; L324-I341 HydrophobicContact CD2-CD1 4.46Å; L324-F428 PolarHBondContact N-O 3.24Å; L324-I429 HydrophobicContact CB-CG1 4.42Å; L324-I429 HydrophobicContact CD2-CD1 4.42Å; L324-I429 HydrophobicContact CD2-CG1 4.34Å; L324-I429 HydrophobicContact CD2-CG2 4.41Å; L324-I429 CarbonylContact O-C 3.6Å; L324-I429 VanDerWaalsContact O-CA 3.29Å; L324-I429 WeakPolarHBondContact O-CA 3.24Å; L324-G430 PolarHBondContact O-N 3.2Å; L324-F446 WeakPolarHBondContact O-CD1 3.34Å; L324-K448 CarbonylContact C-O 3.57Å; L324-K448 WeakPolarHBondContact CA-O 3.28Å; L324-K448 HydrophobicContact CD1-CB 3.73Å
325	L	96.9	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.8	172.4	-175.5	70	0	0	0	110.2	F327 V389 G430 T432 L438 F446 K448 R449 L450 W553	L325-F327 HydrophobicContact CD2-CD1 4.42Å; L325-V389 HydrophobicContact CD1-CG2 3.89Å; L325-G430 CarbonylContact C-O 3.59Å; L325-G430 WeakPolarHBondContact CA-O 3.38Å; L325-T432 HydrophobicContact CD1-CG2 3.9Å; L325-T432 HydrophobicContact CD2-CG2 4.5Å; L325-T432 HydrophobicContact CG-CG2 4.41Å; L325-L438 HydrophobicContact CD1-CD2 4.48Å; L325-L438 HydrophobicContact CD2-CD2 3.94Å; L325-F446 HydrophobicContact CB-CB 3.79Å; L325-F446 HydrophobicContact CB-CD1 3.72Å; L325-F446 HydrophobicContact CB-CD2 4.27Å; L325-F446 HydrophobicContact CB-CE1 4.29Å; L325-F446 HydrophobicContact CB-CG 3.68Å; L325-F446 HydrophobicContact CD1-CD1 4.34Å; L325-F446 HydrophobicContact CD1-CD2 4.11Å; L325-F446 HydrophobicContact CD1-CE1 4.15Å; L325-F446 HydrophobicContact CD1-CE2 3.95Å; L325-F446 HydrophobicContact CD1-CG 4.3Å; L325-F446 HydrophobicContact CD1-CZ 3.96Å; L325-F446 HydrophobicContact CD2-CD2 4.46Å; L325-F446 HydrophobicContact CG-CG 4.41Å; L325-K448 PolarHBondContact N-O 3.41Å; L325-R449 HydrophobicContact CB-CB 4.34Å; L325-R449 HydrophobicContact CB-CG 3.98Å; L325-R449 HydrophobicContact CD2-CG 4.1Å; L325-R449 CarbonylContact O-C 3.59Å; L325-R449 WeakPolarHBondContact O-CA 3.42Å; L325-L450 PolarHBondContact O-N 3.34Å; L325-W553 HydrophobicContact CD2-CH2 3.85Å
326	L	97.5	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.3	166.5	-55.5	-177	0	0	0	108.4	L324 K334 I337 F385 I429 G430 A431 T432 L450 I452	L324-L326 HydrophobicContact CD2-CD2 4.17Å; L324-L326 HydrophobicContact CG-CD2 4.3Å; L326-K334 HydrophobicContact CB-CB 4.4Å; L326-K334 HydrophobicContact CB-CD 4.39Å; L326-K334 HydrophobicContact CB-CG 4.29Å; L326-I337 HydrophobicContact CD1-CB 4.15Å; L326-I337 HydrophobicContact CD1-CG2 3.85Å; L326-F385 HydrophobicContact CD1-CE2 4.44Å; L326-I429 HydrophobicContact CD1-CG2 3.9Å; L326-I429 HydrophobicContact CG-CG2 3.9Å; L326-G430 PolarHBondContact N-O 2.88Å; L326-A431 VanDerWaalsContact O-CA 3.28Å; L326-A431 WeakPolarHBondContact O-CA 3.32Å; L326-T432 PolarHBondContact O-N 3.32Å; L326-L450 HydrophobicContact CD2-CB 4.09Å; L326-L450 HydrophobicContact CD2-CD2 3.98Å; L326-L450 HydrophobicContact CD2-CG 4.47Å; L326-I452 HydrophobicContact CD2-CD1 4.48Å
327	F	97	Very high	92.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.5	178.6	72.7	-82.2	0	0	0	111.3	L325 T432 P435 R449 L450 Y451 I452 Y550 W553 N554	L325-F327 HydrophobicContact CD2-CD1 4.42Å; F327-T432 WeakPolarHBondContact CA-O 3.48Å; F327-T432 HydrophobicContact CB-CG2 3.71Å; F327-P435 HydrophobicContact CB-CB 4.04Å; F327-P435 HydrophobicContact CB-CG 4.35Å; F327-P435 HydrophobicContact CD2-CB 4.14Å; F327-P435 HydrophobicContact CD2-CG 3.92Å; F327-P435 HydrophobicContact CG-CB 4.24Å; F327-P435 HydrophobicContact CG-CG 4.45Å; F327-R449 HydrophobicContact CD1-CB 4.49Å; F327-R449 HydrophobicContact CE1-CB 4.12Å; F327-L450 WeakPolarHBondContact CD1-O 3.44Å; F327-L450 VanDerWaalsContact CE1-C 3.45Å; F327-L450 PolarHBondContact N-O 3.5Å; F327-L450 VanDerWaalsContact N-O 3.1Å; F327-Y451 AromaticContact CD2-CD2 3.98Å; F327-Y451 HydrophobicContact CD2-CD2 3.98Å; F327-Y451 AromaticContact CE2-CD2 3.64Å; F327-Y451 HydrophobicContact CE2-CD2 3.64Å; F327-Y451 HydrophobicContact CE2-CG 4.04Å; F327-Y451 VanDerWaalsContact CZ-CB 3.5Å; F327-Y451 HydrophobicContact CZ-CD2 4.24Å; F327-Y451 HydrophobicContact CZ-CG 4.22Å; F327-Y451 CarbonylContact O-C 3.55Å; F327-Y451 WeakPolarHBondContact O-CA 3.4Å; F327-I452 PolarHBondContact O-N 3.4Å; F327-Y550 HydrophobicContact CD2-CD1 4.47Å; F327-W553 HydrophobicContact CD1-CE3 4.36Å; F327-W553 HydrophobicContact CD1-CH2 4.39Å; F327-W553 AromaticContact CD1-CZ3 3.69Å; F327-W553 HydrophobicContact CD1-CZ3 3.69Å; F327-W553 AromaticContact CD2-CE3 3.81Å; F327-W553 HydrophobicContact CD2-CE3 3.81Å; F327-W553 AromaticContact CD2-CZ3 3.96Å; F327-W553 HydrophobicContact CD2-CZ3 3.96Å; F327-W553 AromaticContact CE1-CE3 3.96Å; F327-W553 HydrophobicContact CE1-CE3 3.96Å; F327-W553 HydrophobicContact CE1-CH2 4.41Å; F327-W553 AromaticContact CE1-CZ3 3.39Å; F327-W553 HydrophobicContact CE1-CZ3 3.39Å; F327-W553 HydrophobicContact CE2-CD2 4.39Å; F327-W553 AromaticContact CE2-CE3 3.34Å; F327-W553 HydrophobicContact CE2-CE3 3.34Å; F327-W553 AromaticContact CE2-CZ3 3.67Å; F327-W553 HydrophobicContact CE2-CZ3 3.67Å; F327-W553 HydrophobicContact CG-CE3 4.28Å; F327-W553 AromaticContact CG-CZ3 3.95Å; F327-W553 HydrophobicContact CG-CZ3 3.95Å; F327-W553 AromaticContact CZ-CE3 3.4Å; F327-W553 HydrophobicContact CZ-CE3 3.4Å; F327-W553 AromaticContact CZ-CZ3 3.35Å; F327-W553 HydrophobicContact CZ-CZ3 3.35Å; F327-N554 HydrophobicContact CE2-CB 4.16Å; F327-N554 HydrophobicContact CZ-CB 3.93Å; F327-N554 WeakPolarHBondContact CZ-OD1 3.49Å
328	G	95.6	Very high	93.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	146.4	-179.5	179.6	0	0	0	0	0	111.6	K334 T432 Y550	G328-K334 PolarHBondContact O-NZ 2.96Å; G328-T432 PolarHBondContact N-O 3.33Å; G328-Y550 VanDerWaalsContact C-CE1 3.47Å
329	P	95.4	Very high	93.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-56.4	152.3	-174.5	16.7	-26.8	0	0	0	113	T332 K334 L454 N542 L547 Y550	P329-T332 HydrophobicContact CB-CG2 4.36Å; P329-T332 HydrophobicContact CG-CG2 3.78Å; P329-T332 WeakPolarHBondContact O-CG2 3.44Å; P329-T332 PolarHBondContact O-OG1 3.2Å; P329-K334 PolarHBondContact O-NZ 3.49Å; P329-L454 HydrophobicContact CB-CD2 4.24Å; P329-L454 HydrophobicContact CG-CD2 3.89Å; P329-L454 HydrophobicContact CG-CG 4Å; P329-N542 WeakPolarHBondContact CB-OD1 3.31Å; P329-L547 HydrophobicContact CB-CD2 4.5Å; P329-L547 HydrophobicContact CG-CD2 4.07Å; P329-Y550 HydrophobicContact CB-CD2 4.49Å; P329-Y550 HydrophobicContact CB-CE2 3.92Å; P329-Y550 HydrophobicContact CG-CE2 4.42Å
330	P	93.6	Very high	93.7	Very high	53 Å²	53	20 Å²	20	34%	0.344	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	150	175.2	26.6	-35.8	0	0	0	111.4	T332 N433 S491 N542	P330-T332 VanDerWaalsContact C-N 3.34Å; P330-T332 PolarHBondContact O-N 3.19Å; P330-N433 WeakPolarHBondContact CA-OD1 3.32Å; P330-S491 WeakPolarHBondContact O-CB 3Å; P330-N542 WeakPolarHBondContact CD-OD1 3.34Å
331	G	93.4	Very high	93.9	Very high	31 Å²	31	18.1 Å²	18.1	32%	0.32	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	11.1	175.8	0	0	0	0	0	115.9	G492 A493	G331-G492 CarbonylContact O-C 3.6Å; G331-G492 WeakPolarHBondContact O-CA 3.38Å; G331-G492 PolarHBondContact O-N 3.32Å; G331-A493 PolarHBondContact O-N 2.66Å
332	T	93.5	Very high	93.9	Very high	17 Å²	17	16.8 Å²	16.8	10%	0.104	11%	0.106	C	C	.	.	S	Bend	trans	-88.8	0.5	177.4	56.7	0	0	0	0	115.2	P329 P330 P453 L454	P329-T332 HydrophobicContact CB-CG2 4.36Å; P329-T332 HydrophobicContact CG-CG2 3.78Å; P329-T332 WeakPolarHBondContact O-CG2 3.44Å; P329-T332 PolarHBondContact O-OG1 3.2Å; P330-T332 VanDerWaalsContact C-N 3.34Å; P330-T332 PolarHBondContact O-N 3.19Å; T332-P453 WeakPolarHBondContact CG2-O 3.4Å; T332-L454 HydrophobicContact CG2-CD2 4.07Å
333	G	93.4	Very high	94	Very high	27 Å²	27	17.3 Å²	17.3	28%	0.278	11%	0.113	S	C	.	.			trans	89.5	23.9	175.1	0	0	0	0	0	115.5	T335 L336 I337	G333-T335 VanDerWaalsContact C-N 3.3Å; G333-T335 PolarHBondContact O-N 3.47Å; G333-L336 WeakPolarHBondContact O-CB 3.47Å; G333-L336 PolarHBondContact O-N 3.2Å; G333-I337 WeakPolarHBondContact O-CG1 3.48Å; G333-I337 PolarHBondContact O-N 3.21Å
334	K	95.3	Very high	93.8	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-51.3	-46.6	174.8	-66.6	-177.3	-71.4	-75.7	0	113	L326 G328 P329 I337 G338 A431 T432 N433 I452	L326-K334 HydrophobicContact CB-CB 4.4Å; L326-K334 HydrophobicContact CB-CD 4.39Å; L326-K334 HydrophobicContact CB-CG 4.29Å; G328-K334 PolarHBondContact O-NZ 2.96Å; P329-K334 PolarHBondContact O-NZ 3.49Å; K334-I337 PolarHBondContact O-N 3.35Å; K334-G338 PolarHBondContact O-N 3.2Å; K334-G338 VanDerWaalsContact O-N 3.11Å; K334-A431 HydrophobicContact CB-CB 4.04Å; K334-A431 HydrophobicContact CD-CB 4.41Å; K334-T432 WeakPolarHBondContact CE-O 3.48Å; K334-N433 WeakPolarHBondContact CE-OD1 3.27Å; K334-N433 PolarHBondContact NZ-OD1 2.94Å; K334-I452 HydrophobicContact CG-CB 4.36Å; K334-I452 HydrophobicContact CG-CG1 4.25Å
335	T	92.4	Very high	93.5	Very high	51 Å²	51	21.2 Å²	21.2	31%	0.313	13%	0.131	S	C	.	.	H	α-helix	trans	-65.2	-37.5	177	-38	0	0	0	0	112.4	G333 G338 K339 F385 D387	G333-T335 VanDerWaalsContact C-N 3.3Å; G333-T335 PolarHBondContact O-N 3.47Å; T335-G338 PolarHBondContact O-N 2.9Å; T335-K339 PolarHBondContact O-N 2.9Å; T335-K339 VanDerWaalsContact O-N 3.17Å; T335-F385 HydrophobicContact CG2-CE1 3.78Å; T335-F385 HydrophobicContact CG2-CZ 4.26Å; T335-D387 PolarHBondContact OG1-OD2 3.47Å
336	L	93.4	Very high	93.1	Very high	70 Å²	70	27.6 Å²	27.6	37%	0.366	17%	0.165	S	C	.	.	H	α-helix	trans	-66.8	-40.5	176.6	-175.3	66.1	0	0	0	111.5	I285 I290 G333 K339 C340	I285-L336 HydrophobicContact CD1-CD1 3.72Å; I285-L336 HydrophobicContact CG2-CD1 4.2Å; I290-L336 HydrophobicContact CG1-CD2 4.42Å; I290-L336 HydrophobicContact CG1-CG 4.49Å; G333-L336 WeakPolarHBondContact O-CB 3.47Å; G333-L336 PolarHBondContact O-N 3.2Å; L336-K339 PolarHBondContact O-N 3.3Å; L336-C340 WeakPolarHBondContact O-CB 3.36Å; L336-C340 PolarHBondContact O-N 3.08Å
337	I	94.9	Very high	92.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-44.8	174.6	-67.8	165.9	0	0	0	110.5	I290 L293 L300 L326 G333 K334 K339 C340 I341 I452	I290-I337 HydrophobicContact CD1-CG1 3.92Å; I290-I337 HydrophobicContact CG1-CG1 4.48Å; L293-I337 HydrophobicContact CD1-CD1 4Å; L300-I337 HydrophobicContact CD1-CG2 3.49Å; L300-I337 VanDerWaalsContact CD1-CG2 3.49Å; L326-I337 HydrophobicContact CD1-CB 4.15Å; L326-I337 HydrophobicContact CD1-CG2 3.85Å; G333-I337 WeakPolarHBondContact O-CG1 3.48Å; G333-I337 PolarHBondContact O-N 3.21Å; K334-I337 PolarHBondContact O-N 3.35Å; I337-K339 PolarHBondContact O-N 3.42Å; I337-C340 WeakPolarHBondContact O-CB 3.45Å; I337-C340 PolarHBondContact O-N 3.36Å; I337-I341 HydrophobicContact CG2-CD1 3.83Å; I337-I341 HydrophobicContact CG2-CG1 4.35Å; I337-I341 VanDerWaalsContact O-CG1 3.29Å; I337-I341 WeakPolarHBondContact O-CG1 3.37Å; I337-I341 PolarHBondContact O-N 3.5Å; I337-I452 HydrophobicContact CD1-CD1 3.79Å; I337-I452 HydrophobicContact CD1-CG1 4.11Å; I337-I452 HydrophobicContact CD1-CG2 4.04Å
338	G	92.9	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-47.2	176.3	0	0	0	0	0	113	K334 T335 I341 A342 F349	K334-G338 PolarHBondContact O-N 3.2Å; K334-G338 VanDerWaalsContact O-N 3.11Å; T335-G338 PolarHBondContact O-N 2.9Å; G338-I341 PolarHBondContact O-N 3.11Å; G338-A342 PolarHBondContact O-N 3.43Å; G338-F349 WeakPolarHBondContact O-CE2 3.3Å
339	K	92.1	Very high	92.4	Very high	57 Å²	57	31 Å²	31	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-43.5	175	-71.9	176.7	178.8	-109.1	0	112.4	D280 I285 T335 L336 I337 I341 A342 S343 F349	D280-K339 IonicContact OD2-NZ 2.72Å; D280-K339 PolarHBondContact OD2-NZ 2.94Å; I285-K339 HydrophobicContact CD1-CB 3.76Å; I285-K339 HydrophobicContact CD1-CD 4.13Å; T335-K339 PolarHBondContact O-N 2.9Å; T335-K339 VanDerWaalsContact O-N 3.17Å; L336-K339 PolarHBondContact O-N 3.3Å; I337-K339 PolarHBondContact O-N 3.42Å; K339-I341 PolarHBondContact O-N 2.86Å; K339-A342 PolarHBondContact O-N 2.94Å; K339-S343 WeakPolarHBondContact O-CB 3.33Å; K339-S343 PolarHBondContact O-N 3.16Å; K339-F349 HydrophobicContact CB-CE1 4.26Å; K339-F349 HydrophobicContact CB-CZ 4.42Å; K339-F349 HydrophobicContact CD-CE1 4.41Å; K339-F349 HydrophobicContact CG-CD1 4.06Å; K339-F349 HydrophobicContact CG-CE1 3.32Å; K339-F349 HydrophobicContact CG-CZ 3.73Å
340	C	93.4	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-44.8	177.2	-177.5	0	0	0	0	111.4	I285 T286 W287 I290 L336 I337 A342 S343 Q344	I285-C340 HydrophobicContact CB-CB 4.47Å; I285-C340 HydrophobicContact CG2-CB 3.86Å; T286-C340 PolarHBondContact O-SG 3.48Å; W287-C340 VanDerWaalsContact CE3-SG 3.6Å; I290-C340 HydrophobicContact CD1-CB 3.65Å; L336-C340 WeakPolarHBondContact O-CB 3.36Å; L336-C340 PolarHBondContact O-N 3.08Å; I337-C340 WeakPolarHBondContact O-CB 3.45Å; I337-C340 PolarHBondContact O-N 3.36Å; C340-A342 PolarHBondContact O-N 2.89Å; C340-S343 PolarHBondContact O-N 2.94Å; C340-Q344 VanDerWaalsContact O-CB 3.29Å; C340-Q344 WeakPolarHBondContact O-CB 3.36Å; C340-Q344 WeakPolarHBondContact O-CG 3.43Å; C340-Q344 PolarHBondContact O-N 3.22Å
341	I	92.4	Very high	92.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-51.3	178.1	-71	164.4	0	0	0	110.2	W287 L300 V304 L324 I337 G338 K339 S343 Q344 S345 L427 I429	W287-I341 HydrophobicContact CH2-CG1 3.76Å; W287-I341 HydrophobicContact CZ2-CG1 4.5Å; L300-I341 HydrophobicContact CD1-CD1 4.18Å; L300-I341 HydrophobicContact CD2-CD1 3.91Å; V304-I341 HydrophobicContact CB-CG2 4.22Å; V304-I341 HydrophobicContact CG1-CG2 3.72Å; V304-I341 HydrophobicContact CG2-CG2 4.01Å; L324-I341 HydrophobicContact CD2-CD1 4.46Å; I337-I341 HydrophobicContact CG2-CD1 3.83Å; I337-I341 HydrophobicContact CG2-CG1 4.35Å; I337-I341 VanDerWaalsContact O-CG1 3.29Å; I337-I341 WeakPolarHBondContact O-CG1 3.37Å; I337-I341 PolarHBondContact O-N 3.5Å; G338-I341 PolarHBondContact O-N 3.11Å; K339-I341 PolarHBondContact O-N 2.86Å; I341-S343 PolarHBondContact O-N 3.31Å; I341-Q344 PolarHBondContact O-N 3.27Å; I341-S345 WeakPolarHBondContact O-CB 3.47Å; I341-S345 PolarHBondContact O-N 3.34Å; I341-S345 PolarHBondContact O-OG 2.98Å; I341-L427 HydrophobicContact CG2-CD2 4.1Å; I341-I429 HydrophobicContact CB-CD1 4.32Å; I341-I429 HydrophobicContact CD1-CD1 3.71Å; I341-I429 HydrophobicContact CG2-CD1 4.06Å
342	A	91.5	Very high	92.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-40.3	-178.5	0	0	0	0	0	113	G338 K339 C340 S345 N346 S347 F349 V383	G338-A342 PolarHBondContact O-N 3.43Å; K339-A342 PolarHBondContact O-N 2.94Å; C340-A342 PolarHBondContact O-N 2.89Å; A342-S345 PolarHBondContact O-OG 3.33Å; A342-N346 PolarHBondContact O-N 2.9Å; A342-S347 PolarHBondContact O-N 2.9Å; A342-F349 HydrophobicContact CB-CB 3.65Å; A342-F349 HydrophobicContact CB-CD2 3.35Å; A342-F349 HydrophobicContact CB-CE2 4.19Å; A342-F349 HydrophobicContact CB-CG 3.75Å; A342-V383 HydrophobicContact CB-CB 3.9Å; A342-V383 HydrophobicContact CB-CG1 4.36Å; A342-V383 HydrophobicContact CB-CG2 3.97Å
343	S	90.8	Very high	92.1	Very high	39 Å²	39	29.9 Å²	29.9	27%	0.273	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-44.2	175.8	-175.4	0	0	0	0	111.8	S283 I285 K339 C340 I341 N346	S283-S343 PolarHBondContact O-OG 2.94Å; I285-S343 PolarHBondContact N-OG 2.86Å; I285-S343 WeakPolarHBondContact O-CB 3.39Å; I285-S343 PolarHBondContact O-OG 3.25Å; K339-S343 WeakPolarHBondContact O-CB 3.33Å; K339-S343 PolarHBondContact O-N 3.16Å; C340-S343 PolarHBondContact O-N 2.94Å; I341-S343 PolarHBondContact O-N 3.31Å; S343-N346 PolarHBondContact O-N 3.34Å
344	Q	90.5	Very high	91.9	Very high	72 Å²	72	28.6 Å²	28.6	34%	0.336	16%	0.161	S	C	.	.	H	α-helix	trans	-75.1	-29.1	-177.1	-67.5	-63.3	-60.1	0	0	112.5	I285 W287 I305 C340 I341 N346	I285-Q344 PolarHBondContact O-NE2 3.48Å; W287-Q344 HydrophobicContact CD2-CG 4.42Å; W287-Q344 HydrophobicContact CG-CG 4.34Å; W287-Q344 HydrophobicContact CZ2-CB 4.36Å; W287-Q344 HydrophobicContact CZ2-CG 4.5Å; I305-Q344 HydrophobicContact CD1-CB 4.02Å; C340-Q344 VanDerWaalsContact O-CB 3.29Å; C340-Q344 WeakPolarHBondContact O-CB 3.36Å; C340-Q344 WeakPolarHBondContact O-CG 3.43Å; C340-Q344 PolarHBondContact O-N 3.22Å; I341-Q344 PolarHBondContact O-N 3.27Å; Q344-N346 VanDerWaalsContact C-N 3.26Å
345	S	88.2	Confident	91.5	Very high	14 Å²	14	30.1 Å²	30.1	10%	0.098	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.8	172.2	69.7	0	0	0	0	113.4	I341 A342 S347	I341-S345 WeakPolarHBondContact O-CB 3.47Å; I341-S345 PolarHBondContact O-N 3.34Å; I341-S345 PolarHBondContact O-OG 2.98Å; A342-S345 PolarHBondContact O-OG 3.33Å; S345-S347 WeakPolarHBondContact CB-OG 3.5Å; S345-S347 PolarHBondContact O-N 2.97Å; S345-S347 VanDerWaalsContact O-N 3.12Å; S345-S347 PolarHBondContact O-OG 3.16Å; S345-S347 VanDerWaalsContact O-OG 3.05Å; S345-S347 VanDerWaalsContact OG-CB 3.27Å; S345-S347 WeakPolarHBondContact OG-CB 3.26Å; S345-S347 PolarHBondContact OG-OG 2.91Å
346	N	87.7	Confident	91.1	Very high	135 Å²	135	29.2 Å²	29.2	72%	0.722	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	41.9	-174.8	-167.9	37	0	0	0	112.2	A342 S343 Q344	A342-N346 PolarHBondContact O-N 2.9Å; S343-N346 PolarHBondContact O-N 3.34Å; Q344-N346 VanDerWaalsContact C-N 3.26Å
347	S	89.3	Confident	90.7	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	15%	0.151	C	C	.	.			trans	-106.1	151.2	-175.6	-59.1	0	0	0	0	110.5	A342 S345 F349 P381	A342-S347 PolarHBondContact O-N 2.9Å; S345-S347 WeakPolarHBondContact CB-OG 3.5Å; S345-S347 PolarHBondContact O-N 2.97Å; S345-S347 VanDerWaalsContact O-N 3.12Å; S345-S347 PolarHBondContact O-OG 3.16Å; S345-S347 VanDerWaalsContact O-OG 3.05Å; S345-S347 VanDerWaalsContact OG-CB 3.27Å; S345-S347 WeakPolarHBondContact OG-CB 3.26Å; S345-S347 PolarHBondContact OG-OG 2.91Å; S347-F349 PolarHBondContact O-N 3.49Å; S347-P381 CarbonylContact C-O 3.58Å; S347-P381 WeakPolarHBondContact CA-O 3.19Å; S347-P381 VanDerWaalsContact CB-O 3.29Å; S347-P381 WeakPolarHBondContact CB-O 3.31Å
348	T	91.5	Very high	90	Very high	42 Å²	42	28.1 Å²	28.1	26%	0.258	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.4	174.4	54.9	0	0	0	0	110	H379 P381 S382 V383	T348-H379 HydrophobicContact CG2-CB 3.97Å; T348-H379 WeakPolarHBondContact CG2-O 3.29Å; T348-H379 PolarHBondContact OG1-O 2.95Å; T348-P381 PolarHBondContact N-O 2.91Å; T348-P381 PolarHBondContact OG1-O 3.22Å; T348-S382 CarbonylContact O-C 3.57Å; T348-S382 WeakPolarHBondContact O-CA 3.39Å; T348-S382 WeakPolarHBondContact OG1-CA 3.4Å; T348-S382 WeakPolarHBondContact OG1-CB 3.36Å; T348-V383 PolarHBondContact O-N 3.23Å
349	F	94.2	Very high	89.3	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.1	-175.3	-170.8	-125.4	0	0	0	110.5	D280 G338 K339 A342 S347 S351 V383 F385	D280-F349 HydrophobicContact CB-CB 4.35Å; D280-F349 HydrophobicContact CB-CD1 3.71Å; D280-F349 PolarHBondContact N-O 2.58Å; G338-F349 WeakPolarHBondContact O-CE2 3.3Å; K339-F349 HydrophobicContact CB-CE1 4.26Å; K339-F349 HydrophobicContact CB-CZ 4.42Å; K339-F349 HydrophobicContact CD-CE1 4.41Å; K339-F349 HydrophobicContact CG-CD1 4.06Å; K339-F349 HydrophobicContact CG-CE1 3.32Å; K339-F349 HydrophobicContact CG-CZ 3.73Å; A342-F349 HydrophobicContact CB-CB 3.65Å; A342-F349 HydrophobicContact CB-CD2 3.35Å; A342-F349 HydrophobicContact CB-CE2 4.19Å; A342-F349 HydrophobicContact CB-CG 3.75Å; S347-F349 PolarHBondContact O-N 3.49Å; F349-S351 VanDerWaalsContact CE1-CB 3.48Å; F349-V383 HydrophobicContact CD2-CB 4.18Å; F349-V383 HydrophobicContact CD2-CG1 4.07Å; F349-V383 HydrophobicContact CE2-CG1 4.17Å; F349-F385 HydrophobicContact CD2-CB 4.38Å; F349-F385 HydrophobicContact CE2-CB 3.33Å; F349-F385 HydrophobicContact CE2-CG 4.07Å; F349-F385 HydrophobicContact CZ-CB 3.5Å; F349-F385 VanDerWaalsContact CZ-CB 3.5Å; F349-F385 HydrophobicContact CZ-CD1 4.12Å; F349-F385 AromaticContact CZ-CG 3.86Å; F349-F385 HydrophobicContact CZ-CG 3.86Å
350	F	94.8	Very high	88.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.8	171.6	-64.1	-87.4	0	0	0	108.5	I274 I278 M279 L372 I375 A376 H379 V383 I384 F385	I274-F350 HydrophobicContact CG2-CD1 4.25Å; I274-F350 HydrophobicContact CG2-CE1 4.17Å; I278-F350 HydrophobicContact CG2-CB 3.91Å; I278-F350 HydrophobicContact CG2-CD1 4.13Å; I278-F350 CarbonylContact O-C 3.55Å; I278-F350 WeakPolarHBondContact O-CA 3.48Å; M279-F350 HydrophobicContact CB-CD1 4.5Å; M279-F350 HydrophobicContact CB-CE1 4.34Å; M279-F350 HydrophobicContact CE-CE1 3.69Å; M279-F350 HydrophobicContact CE-CZ 3.82Å; M279-F350 HydrophobicContact CG-CE1 4.38Å; F350-L372 HydrophobicContact CB-CD1 4.11Å; F350-L372 HydrophobicContact CD1-CD1 3.81Å; F350-L372 HydrophobicContact CG-CD1 4.16Å; F350-I375 HydrophobicContact CE1-CG2 3.77Å; F350-I375 HydrophobicContact CZ-CG2 3.91Å; F350-A376 HydrophobicContact CD2-CB 4.1Å; F350-A376 HydrophobicContact CE2-CB 3.82Å; F350-A376 HydrophobicContact CZ-CB 4.29Å; F350-H379 HydrophobicContact CE2-CB 4.49Å; F350-H379 HydrophobicContact CZ-CB 4.22Å; F350-V383 PolarHBondContact N-O 2.88Å; F350-I384 HydrophobicContact CB-CG1 4.32Å; F350-I384 HydrophobicContact CD2-CG1 4.37Å; F350-F385 PolarHBondContact O-N 3.46Å
351	S	92.9	Very high	87.5	Confident	34 Å²	34	37.9 Å²	37.9	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120	-177.6	-174.8	0	0	0	0	110.8	I278 F349	I278-S351 PolarHBondContact O-N 3.5Å; F349-S351 VanDerWaalsContact CE1-CB 3.48Å
352	I	92.1	Very high	86.5	Confident	12 Å²	12	43 Å²	43	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.4	176.4	-172.8	163.3	0	0	0	111.2	I278 L357 L372 F385 I386 D387	I278-I352 HydrophobicContact CD1-CD1 3.74Å; I278-I352 HydrophobicContact CG1-CD1 4.27Å; I278-I352 HydrophobicContact CG2-CB 4.32Å; I352-L357 HydrophobicContact CD1-CD1 4.17Å; I352-L357 HydrophobicContact CD1-CD2 3.34Å; I352-L357 HydrophobicContact CD1-CG 3.52Å; I352-L357 HydrophobicContact CG1-CD2 4.4Å; I352-L357 HydrophobicContact CG1-CG 4.07Å; I352-L372 HydrophobicContact CG2-CD2 4.41Å; I352-F385 PolarHBondContact N-O 3.01Å; I352-I386 HydrophobicContact CG2-CD1 4.17Å; I352-I386 HydrophobicContact CG2-CG1 3.68Å; I352-I386 CarbonylContact O-C 3.56Å; I352-I386 VanDerWaalsContact O-CA 3.23Å; I352-I386 WeakPolarHBondContact O-CA 3.3Å; I352-D387 PolarHBondContact O-N 2.91Å
353	S	90.9	Very high	85.8	Confident	31 Å²	31	46.4 Å²	46.4	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133	168.5	161	0	0	0	0	109.4	S355 S356 L357 E388	S353-S355 PolarHBondContact O-N 2.9Å; S353-S355 WeakPolarHBondContact OG-CB 3.1Å; S353-S355 PolarHBondContact OG-N 2.86Å; S353-S356 WeakPolarHBondContact O-CA 3.39Å; S353-S356 WeakPolarHBondContact O-CB 3.45Å; S353-S356 PolarHBondContact O-N 3Å; S353-L357 PolarHBondContact O-N 3.36Å; S353-E388 PolarHBondContact OG-OE2 2.91Å
354	A	88.8	Confident	85.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-35.6	174.8	0	0	0	0	0	112.4	S356 L357 T358 I386 D387 E388 S391 L392	A354-S356 VanDerWaalsContact C-N 3.26Å; A354-S356 PolarHBondContact O-N 2.96Å; A354-L357 WeakPolarHBondContact O-CB 3.3Å; A354-L357 PolarHBondContact O-N 3.42Å; A354-L357 VanDerWaalsContact O-N 3.14Å; A354-T358 PolarHBondContact O-N 2.9Å; A354-I386 HydrophobicContact CB-CG2 3.78Å; A354-D387 WeakPolarHBondContact CB-O 3.48Å; A354-D387 PolarHBondContact N-O 3.05Å; A354-E388 VanDerWaalsContact CB-O 3.24Å; A354-E388 WeakPolarHBondContact CB-O 3.44Å; A354-S391 WeakPolarHBondContact CB-OG 3.43Å; A354-L392 HydrophobicContact CB-CB 3.69Å
355	S	86	Confident	85.2	Confident	40 Å²	40	45.3 Å²	45.3	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-34.3	173.4	-57.2	0	0	0	0	112.3	S353 T358 S359 E388 S391	S353-S355 PolarHBondContact O-N 2.9Å; S353-S355 WeakPolarHBondContact OG-CB 3.1Å; S353-S355 PolarHBondContact OG-N 2.86Å; S355-T358 PolarHBondContact O-OG1 3.36Å; S355-S359 WeakPolarHBondContact O-CB 3.43Å; S355-S359 PolarHBondContact O-N 3.4Å; S355-S359 VanDerWaalsContact O-N 3.16Å; S355-S359 PolarHBondContact O-OG 2.96Å; S355-E388 PolarHBondContact OG-OE2 3.5Å; S355-S391 PolarHBondContact N-OG 3.32Å
356	S	85.9	Confident	85.2	Confident	32 Å²	32	47.1 Å²	47.1	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-70.2	-36.2	175.8	-66.9	0	0	0	0	111.9	S353 A354 T358 K360	S353-S356 WeakPolarHBondContact O-CA 3.39Å; S353-S356 WeakPolarHBondContact O-CB 3.45Å; S353-S356 PolarHBondContact O-N 3Å; A354-S356 VanDerWaalsContact C-N 3.26Å; A354-S356 PolarHBondContact O-N 2.96Å; S356-T358 VanDerWaalsContact C-N 3.35Å; S356-T358 PolarHBondContact O-N 3.07Å; S356-K360 WeakPolarHBondContact O-CB 3.38Å; S356-K360 PolarHBondContact O-N 3.02Å; S356-K360 VanDerWaalsContact O-N 3.12Å
357	L	84.8	Confident	85.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-42.4	176.4	-75.9	172.8	0	0	0	112.6	I352 S353 A354 L368 L392	I352-L357 HydrophobicContact CD1-CD1 4.17Å; I352-L357 HydrophobicContact CD1-CD2 3.34Å; I352-L357 HydrophobicContact CD1-CG 3.52Å; I352-L357 HydrophobicContact CG1-CD2 4.4Å; I352-L357 HydrophobicContact CG1-CG 4.07Å; S353-L357 PolarHBondContact O-N 3.36Å; A354-L357 WeakPolarHBondContact O-CB 3.3Å; A354-L357 PolarHBondContact O-N 3.42Å; A354-L357 VanDerWaalsContact O-N 3.14Å; L357-L368 HydrophobicContact CD2-CD2 3.47Å; L357-L368 VanDerWaalsContact CD2-CD2 3.47Å; L357-L368 HydrophobicContact CD2-CG 4.15Å; L357-L392 HydrophobicContact CD1-CD2 4.18Å
358	T	78.6	Confident	85.2	Confident	50 Å²	50	44.1 Å²	44.1	31%	0.307	26%	0.258	S	S	.	.	H	α-helix	trans	-84.2	-33.8	-175.4	55.6	0	0	0	0	113.3	A354 S355 S356 L392	A354-T358 PolarHBondContact O-N 2.9Å; S355-T358 PolarHBondContact O-OG1 3.36Å; S356-T358 VanDerWaalsContact C-N 3.35Å; S356-T358 PolarHBondContact O-N 3.07Å; T358-L392 HydrophobicContact CG2-CD1 4.19Å
359	S	79.1	Confident	85.2	Confident	79 Å²	79	42.2 Å²	42.2	55%	0.552	25%	0.246	S	C	*	.	H	α-helix	trans	-90.5	-43.9	-173.7	61.2	0	0	0	0	114.5	S355	S355-S359 WeakPolarHBondContact O-CB 3.43Å; S355-S359 PolarHBondContact O-N 3.4Å; S355-S359 VanDerWaalsContact O-N 3.16Å; S355-S359 PolarHBondContact O-OG 2.96Å
360	K	77.2	Confident	85.1	Confident	136 Å²	136	45.3 Å²	45.3	59%	0.591	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.6	-175.5	-65.5	-178.6	178.3	178.6	0	112.8	S356	S356-K360 WeakPolarHBondContact O-CB 3.38Å; S356-K360 PolarHBondContact O-N 3.02Å; S356-K360 VanDerWaalsContact O-N 3.12Å
361	W	71	Confident	84.9	Confident	47 Å²	47	45.3 Å²	45.3	18%	0.178	26%	0.258	C	S	.	.			trans	-116.1	45.4	-166.2	-48.4	103.8	0	0	0	113.3	M273 G363 E364 G365 L368	M273-W361 HydrophobicContact CE-CE3 4.23Å; M273-W361 HydrophobicContact CE-CH2 3.22Å; M273-W361 HydrophobicContact CE-CZ2 4.27Å; M273-W361 HydrophobicContact CE-CZ3 3.18Å; M273-W361 HydrophobicContact CG-CH2 4.02Å; M273-W361 HydrophobicContact CG-CZ2 4.31Å; M273-W361 HydrophobicContact SD-CD2 4.47Å; M273-W361 HydrophobicContact SD-CE3 4.02Å; M273-W361 HydrophobicContact SD-CH2 3Å; M273-W361 WeakPolarHBondContact SD-CH2 3.42Å; M273-W361 HydrophobicContact SD-CZ2 3.47Å; M273-W361 WeakPolarHBondContact SD-CZ2 3.34Å; M273-W361 HydrophobicContact SD-CZ3 3.3Å; M273-W361 WeakPolarHBondContact SD-CZ3 3.43Å; W361-G363 PolarHBondContact O-N 3.38Å; W361-G363 VanDerWaalsContact O-N 3.14Å; W361-E364 PolarHBondContact O-N 3.41Å; W361-G365 PolarHBondContact O-N 2.94Å; W361-L368 HydrophobicContact CB-CD2 4.2Å; W361-L368 HydrophobicContact CD2-CD2 3.94Å; W361-L368 HydrophobicContact CG-CD2 3.59Å
362	V	71	Confident	84.9	Confident	110 Å²	110	43.9 Å²	43.9	67%	0.667	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	116.6	-179.4	-176.3	0	0	0	0	110.2
363	G	76.9	Confident	84.9	Confident	71 Å²	71	43.3 Å²	43.3	73%	0.732	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-17.9	178.8	0	0	0	0	0	115	W361	W361-G363 PolarHBondContact O-N 3.38Å; W361-G363 VanDerWaalsContact O-N 3.14Å
364	E	82.9	Confident	84.9	Confident	88 Å²	88	42.7 Å²	42.7	41%	0.411	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-4.2	177.9	-62.3	-165	150.7	0	0	113.7	W361 E366 K367 L368	W361-E364 PolarHBondContact O-N 3.41Å; E364-E366 VanDerWaalsContact C-N 3.28Å; E364-E366 PolarHBondContact O-N 2.6Å; E364-E366 VanDerWaalsContact O-N 3.16Å; E364-K367 WeakPolarHBondContact O-CB 3.36Å; E364-K367 PolarHBondContact O-N 3.24Å; E364-L368 PolarHBondContact O-N 3.45Å
365	G	85	Confident	85.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-54	-36.7	-177.7	0	0	0	0	0	114.9	W361 L368 V369	W361-G365 PolarHBondContact O-N 2.94Å; G365-L368 PolarHBondContact O-N 2.91Å; G365-V369 VanDerWaalsContact O-CG2 3.32Å; G365-V369 WeakPolarHBondContact O-CG2 3.42Å; G365-V369 PolarHBondContact O-N 3.28Å
366	E	87.7	Confident	85.3	Confident	52 Å²	52	40.8 Å²	40.8	24%	0.243	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-44.6	175.6	-67.3	175.8	-138.8	0	0	112.4	E364 L368 V369 R370 R406 I407 E410	E364-E366 VanDerWaalsContact C-N 3.28Å; E364-E366 PolarHBondContact O-N 2.6Å; E364-E366 VanDerWaalsContact O-N 3.16Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-V369 PolarHBondContact O-N 3.44Å; E366-R370 WeakPolarHBondContact O-CG 3.45Å; E366-R370 PolarHBondContact O-N 3.09Å; E366-R370 IonicContact OE2-CZ 2.65Å; E366-R370 IonicContact OE2-NH1 3.23Å; E366-R370 IonicContact OE2-NH2 3.94Å; E366-R370 PolarHBondContact OE2-NH2 3.4Å; E366-R406 HydrophobicContact CG-CB 4.08Å; E366-R406 WeakPolarHBondContact OE1-CB 3.41Å; E366-R406 WeakPolarHBondContact OE1-CD 3.47Å; E366-I407 HydrophobicContact CG-CG1 4.43Å; E366-E410 HydrophobicContact CB-CG 4.37Å; E366-E410 HydrophobicContact CG-CB 4.34Å
367	K	89	Confident	85.6	Confident	87 Å²	87	42.4 Å²	42.4	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-41.4	178	-67.9	-179.5	172.7	-173.4	0	110.4	D267 I270 E364 R370 A371	D267-K367 IonicContact OD2-NZ 3.39Å; D267-K367 PolarHBondContact OD2-NZ 2.9Å; I270-K367 HydrophobicContact CD1-CB 3.86Å; I270-K367 HydrophobicContact CD1-CD 4.16Å; E364-K367 WeakPolarHBondContact O-CB 3.36Å; E364-K367 PolarHBondContact O-N 3.24Å; K367-R370 PolarHBondContact O-N 3.22Å; K367-A371 VanDerWaalsContact O-CB 3.28Å; K367-A371 WeakPolarHBondContact O-CB 3.39Å; K367-A371 PolarHBondContact O-N 3.29Å
368	L	89.2	Confident	85.8	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-44.8	177	179.9	64.8	0	0	0	111.4	I270 I274 I278 L357 W361 E364 G365 E366 A371 L372	I270-L368 HydrophobicContact CG2-CB 4.49Å; I270-L368 HydrophobicContact CG2-CD1 3.81Å; I274-L368 HydrophobicContact CD1-CD1 3.89Å; I274-L368 HydrophobicContact CG1-CD1 3.66Å; I278-L368 HydrophobicContact CD1-CD1 4.4Å; L357-L368 HydrophobicContact CD2-CD2 3.47Å; L357-L368 VanDerWaalsContact CD2-CD2 3.47Å; L357-L368 HydrophobicContact CD2-CG 4.15Å; W361-L368 HydrophobicContact CB-CD2 4.2Å; W361-L368 HydrophobicContact CD2-CD2 3.94Å; W361-L368 HydrophobicContact CG-CD2 3.59Å; E364-L368 PolarHBondContact O-N 3.45Å; G365-L368 PolarHBondContact O-N 2.91Å; E366-L368 VanDerWaalsContact C-N 3.31Å; L368-A371 PolarHBondContact O-N 3.1Å; L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.16Å; L368-L372 PolarHBondContact O-N 3.42Å
369	V	91.7	Very high	86.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-46.5	175.8	169.4	0	0	0	0	111.2	G365 E366 A371 L372 F373 I407 E410 F411 Q414	G365-V369 VanDerWaalsContact O-CG2 3.32Å; G365-V369 WeakPolarHBondContact O-CG2 3.42Å; G365-V369 PolarHBondContact O-N 3.28Å; E366-V369 PolarHBondContact O-N 3.44Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.25Å; V369-L372 PolarHBondContact O-N 3.37Å; V369-F373 HydrophobicContact CG1-CD2 4.2Å; V369-F373 HydrophobicContact CG1-CE2 4.24Å; V369-F373 WeakPolarHBondContact O-CD2 3.48Å; V369-F373 PolarHBondContact O-N 3.14Å; V369-F373 VanDerWaalsContact O-N 3.16Å; V369-I407 HydrophobicContact CG2-CG2 4.14Å; V369-E410 HydrophobicContact CB-CG 4.41Å; V369-E410 HydrophobicContact CG1-CG 4.13Å; V369-F411 HydrophobicContact CG1-CB 4.26Å; V369-F411 HydrophobicContact CG1-CD2 3.98Å; V369-F411 HydrophobicContact CG2-CD2 4.36Å; V369-Q414 HydrophobicContact CG1-CB 4.46Å; V369-Q414 HydrophobicContact CG1-CG 3.94Å
370	R	91.1	Very high	86.8	Confident	75 Å²	75	44 Å²	44	28%	0.283	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-44.6	175.7	-70.8	179.9	-162.4	115.2	8	112.5	F266 E366 K367 S374 E410	F266-R370 HydrophobicContact CE1-CB 3.66Å; F266-R370 HydrophobicContact CZ-CB 4.02Å; E366-R370 WeakPolarHBondContact O-CG 3.45Å; E366-R370 PolarHBondContact O-N 3.09Å; E366-R370 IonicContact OE2-CZ 2.65Å; E366-R370 IonicContact OE2-NH1 3.23Å; E366-R370 IonicContact OE2-NH2 3.94Å; E366-R370 PolarHBondContact OE2-NH2 3.4Å; K367-R370 PolarHBondContact O-N 3.22Å; R370-S374 WeakPolarHBondContact O-CB 3.37Å; R370-S374 PolarHBondContact O-N 3.27Å; R370-S374 PolarHBondContact O-OG 3.33Å; R370-E410 HydrophobicContact CG-CG 4.01Å; R370-E410 WeakPolarHBondContact CG-OE1 3.4Å; R370-E410 IonicContact CZ-OE1 3.94Å; R370-E410 IonicContact CZ-OE2 2.72Å; R370-E410 VanDerWaalsContact CZ-OE2 3.23Å; R370-E410 IonicContact NE-OE1 3.73Å; R370-E410 PolarHBondContact NE-OE1 3.04Å; R370-E410 IonicContact NE-OE2 2.69Å; R370-E410 PolarHBondContact NE-OE2 3.48Å; R370-E410 IonicContact NH2-OE2 2.84Å; R370-E410 PolarHBondContact NH2-OE2 3.02Å
371	A	91.2	Very high	87.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-42.1	178.8	0	0	0	0	0	111.3	F266 I270 I274 K367 L368 V369 F373 S374 I375	F266-A371 HydrophobicContact CB-CB 4.39Å; F266-A371 HydrophobicContact CD1-CB 3.8Å; F266-A371 HydrophobicContact CD2-CB 4.21Å; F266-A371 HydrophobicContact CE1-CB 4.11Å; F266-A371 HydrophobicContact CE2-CB 4.48Å; F266-A371 HydrophobicContact CG-CB 3.86Å; F266-A371 HydrophobicContact CZ-CB 4.44Å; I270-A371 HydrophobicContact CG2-CB 3.8Å; I274-A371 HydrophobicContact CD1-CB 3.51Å; K367-A371 VanDerWaalsContact O-CB 3.28Å; K367-A371 WeakPolarHBondContact O-CB 3.39Å; K367-A371 PolarHBondContact O-N 3.29Å; L368-A371 PolarHBondContact O-N 3.1Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.25Å; A371-F373 PolarHBondContact O-N 3.21Å; A371-S374 PolarHBondContact O-N 2.87Å; A371-I375 WeakPolarHBondContact O-CB 3.4Å; A371-I375 VanDerWaalsContact O-CG1 3.3Å; A371-I375 WeakPolarHBondContact O-CG1 3.47Å; A371-I375 PolarHBondContact O-N 3.03Å
372	L	92.5	Very high	88.4	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-57.4	-51.4	178.5	177.2	63.5	0	0	0	111.5	I274 I278 F350 I352 L368 V369 S374 I375 A376 I384	I274-L372 HydrophobicContact CD1-CB 4.39Å; I274-L372 HydrophobicContact CG2-CD1 3.95Å; I278-L372 HydrophobicContact CG2-CD1 3.86Å; F350-L372 HydrophobicContact CB-CD1 4.11Å; F350-L372 HydrophobicContact CD1-CD1 3.81Å; F350-L372 HydrophobicContact CG-CD1 4.16Å; I352-L372 HydrophobicContact CG2-CD2 4.41Å; L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.16Å; L368-L372 PolarHBondContact O-N 3.42Å; V369-L372 PolarHBondContact O-N 3.37Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 3.11Å; L372-I375 PolarHBondContact O-N 2.79Å; L372-A376 WeakPolarHBondContact O-CB 3.38Å; L372-A376 PolarHBondContact O-N 3.2Å; L372-I384 HydrophobicContact CD2-CG2 4.32Å
373	F	92.7	Very high	89.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-34.2	178.2	-82.5	-96.1	0	0	0	112.2	V369 A371 A376 R377 I384 F411 Q414 L415 I418	V369-F373 HydrophobicContact CG1-CD2 4.2Å; V369-F373 HydrophobicContact CG1-CE2 4.24Å; V369-F373 WeakPolarHBondContact O-CD2 3.48Å; V369-F373 PolarHBondContact O-N 3.14Å; V369-F373 VanDerWaalsContact O-N 3.16Å; A371-F373 PolarHBondContact O-N 3.21Å; F373-A376 PolarHBondContact O-N 3.4Å; F373-R377 VanDerWaalsContact O-CG 3.31Å; F373-R377 WeakPolarHBondContact O-CG 3.42Å; F373-R377 PolarHBondContact O-N 3.22Å; F373-I384 HydrophobicContact CD1-CD1 3.85Å; F373-I384 HydrophobicContact CD2-CD1 4.49Å; F373-I384 HydrophobicContact CE1-CD1 3.79Å; F373-I384 HydrophobicContact CE2-CD1 4.45Å; F373-I384 HydrophobicContact CG-CD1 4.22Å; F373-I384 HydrophobicContact CZ-CD1 4.11Å; F373-F411 HydrophobicContact CE2-CD2 4.14Å; F373-F411 AromaticContact CE2-CE2 3.85Å; F373-F411 HydrophobicContact CE2-CE2 3.85Å; F373-F411 HydrophobicContact CZ-CE2 4.09Å; F373-Q414 HydrophobicContact CB-CB 4.27Å; F373-Q414 HydrophobicContact CB-CG 4.34Å; F373-Q414 HydrophobicContact CD1-CB 3.92Å; F373-Q414 HydrophobicContact CD2-CB 3.53Å; F373-Q414 HydrophobicContact CD2-CG 3.95Å; F373-Q414 HydrophobicContact CE1-CB 4.08Å; F373-Q414 HydrophobicContact CE2-CB 3.7Å; F373-Q414 HydrophobicContact CE2-CG 4.47Å; F373-Q414 HydrophobicContact CG-CB 3.64Å; F373-Q414 HydrophobicContact CG-CG 4.15Å; F373-Q414 HydrophobicContact CZ-CB 3.98Å; F373-L415 HydrophobicContact CE1-CD2 4.01Å; F373-L415 HydrophobicContact CZ-CD2 3.68Å; F373-L415 HydrophobicContact CZ-CG 4.19Å; F373-I418 HydrophobicContact CD1-CG2 3.68Å; F373-I418 HydrophobicContact CE1-CD1 4.37Å; F373-I418 HydrophobicContact CE1-CG2 3.85Å
374	S	91.5	Very high	90.4	Very high	18 Å²	18	29.1 Å²	29.1	13%	0.126	14%	0.136	C	C	.	.	H	α-helix	trans	-67.4	-42.3	176.4	-59.6	0	0	0	0	112.4	F266 R370 A371 L372 R377 I378	F266-S374 VanDerWaalsContact CE2-CB 3.49Å; F266-S374 WeakPolarHBondContact CE2-OG 3.38Å; F266-S374 WeakPolarHBondContact CZ-OG 3.49Å; R370-S374 WeakPolarHBondContact O-CB 3.37Å; R370-S374 PolarHBondContact O-N 3.27Å; R370-S374 PolarHBondContact O-OG 3.33Å; A371-S374 PolarHBondContact O-N 2.87Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 3.11Å; S374-R377 WeakPolarHBondContact O-CB 3.32Å; S374-R377 PolarHBondContact O-N 3.17Å; S374-I378 WeakPolarHBondContact O-CG1 3.47Å; S374-I378 PolarHBondContact O-N 3.29Å
375	I	91.2	Very high	91	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-43	175.3	-68	167.1	0	0	0	110.1	L263 V271 I274 M279 F350 A371 L372 R377 I378 H379	L263-I375 HydrophobicContact CD2-CD1 4.41Å; L263-I375 HydrophobicContact CD2-CG1 3.56Å; V271-I375 HydrophobicContact CB-CD1 4.36Å; V271-I375 HydrophobicContact CG1-CD1 3.98Å; V271-I375 HydrophobicContact CG2-CD1 4.44Å; I274-I375 HydrophobicContact CB-CD1 3.77Å; I274-I375 HydrophobicContact CD1-CD1 3.56Å; I274-I375 HydrophobicContact CG1-CD1 4.28Å; I274-I375 HydrophobicContact CG2-CB 4.48Å; I274-I375 HydrophobicContact CG2-CD1 3.75Å; I274-I375 HydrophobicContact CG2-CG2 4.3Å; M279-I375 HydrophobicContact CE-CG2 4.13Å; F350-I375 HydrophobicContact CE1-CG2 3.77Å; F350-I375 HydrophobicContact CZ-CG2 3.91Å; A371-I375 WeakPolarHBondContact O-CB 3.4Å; A371-I375 VanDerWaalsContact O-CG1 3.3Å; A371-I375 WeakPolarHBondContact O-CG1 3.47Å; A371-I375 PolarHBondContact O-N 3.03Å; L372-I375 PolarHBondContact O-N 2.79Å; I375-R377 PolarHBondContact O-N 3.24Å; I375-I378 WeakPolarHBondContact O-CB 3.41Å; I375-I378 PolarHBondContact O-N 3.13Å; I375-H379 PolarHBondContact O-CD2 3.21Å; I375-H379 VanDerWaalsContact O-CD2 3.29Å; I375-H379 PolarHBondContact O-N 2.95Å
376	A	91.6	Very high	91.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-39	174.3	0	0	0	0	0	112	F350 L372 F373 I378 H379 Q380 S382 I384 I426	F350-A376 HydrophobicContact CD2-CB 4.1Å; F350-A376 HydrophobicContact CE2-CB 3.82Å; F350-A376 HydrophobicContact CZ-CB 4.29Å; L372-A376 WeakPolarHBondContact O-CB 3.38Å; L372-A376 PolarHBondContact O-N 3.2Å; F373-A376 PolarHBondContact O-N 3.4Å; A376-I378 VanDerWaalsContact C-N 3.32Å; A376-I378 PolarHBondContact O-N 2.79Å; A376-H379 CarbonylContact O-C 3.55Å; A376-H379 PolarHBondContact O-N 2.89Å; A376-Q380 WeakPolarHBondContact O-CG 3.43Å; A376-Q380 PolarHBondContact O-N 3.48Å; A376-S382 PolarHBondContact O-OG 3.32Å; A376-I384 HydrophobicContact CB-CD1 3.74Å; A376-I384 HydrophobicContact CB-CG1 4.03Å; A376-I426 HydrophobicContact CB-CD1 4.19Å
377	R	90.8	Very high	91.8	Very high	66 Å²	66	24.1 Å²	24.1	25%	0.249	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-33.7	173.3	-76.1	175.6	177	141.6	1.2	114.1	F373 S374 I375 Q380 E424 I426	F373-R377 VanDerWaalsContact O-CG 3.31Å; F373-R377 WeakPolarHBondContact O-CG 3.42Å; F373-R377 PolarHBondContact O-N 3.22Å; S374-R377 WeakPolarHBondContact O-CB 3.32Å; S374-R377 PolarHBondContact O-N 3.17Å; I375-R377 PolarHBondContact O-N 3.24Å; R377-Q380 WeakPolarHBondContact O-CG 3.45Å; R377-E424 IonicContact CZ-OE1 3.64Å; R377-E424 IonicContact CZ-OE2 3.1Å; R377-E424 IonicContact NE-OE1 2.92Å; R377-E424 PolarHBondContact NE-OE1 3.35Å; R377-E424 IonicContact NE-OE2 3.04Å; R377-E424 PolarHBondContact NE-OE2 3.34Å; R377-E424 VanDerWaalsContact NE-OE2 3.08Å; R377-E424 IonicContact NH2-OE1 3.58Å; R377-E424 IonicContact NH2-OE2 2.63Å; R377-I426 HydrophobicContact CB-CD1 4.32Å; R377-I426 HydrophobicContact CG-CD1 3.51Å
378	I	90.1	Very high	92	Very high	42 Å²	42	23.5 Å²	23.5	22%	0.215	11%	0.112	C	C	.	.	H	α-helix	trans	-72.9	-36.9	177.2	-64.7	162.3	0	0	0	110.5	D260 R262 L263 S374 I375 A376	D260-I378 HydrophobicContact CB-CD1 4.12Å; D260-I378 WeakPolarHBondContact OD2-CG1 3.44Å; R262-I378 HydrophobicContact CB-CD1 4.47Å; L263-I378 HydrophobicContact CD1-CD1 3.97Å; L263-I378 HydrophobicContact CD2-CD1 3.4Å; L263-I378 VanDerWaalsContact CD2-CD1 3.4Å; L263-I378 HydrophobicContact CG-CD1 3.53Å; S374-I378 WeakPolarHBondContact O-CG1 3.47Å; S374-I378 PolarHBondContact O-N 3.29Å; I375-I378 WeakPolarHBondContact O-CB 3.41Å; I375-I378 PolarHBondContact O-N 3.13Å; A376-I378 VanDerWaalsContact C-N 3.32Å; A376-I378 PolarHBondContact O-N 2.79Å
379	H	88.9	Confident	92.3	Very high	60 Å²	60	23.3 Å²	23.3	28%	0.278	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	24.9	-173.5	-71.6	-76.9	0	0	0	114.5	T348 F350 I375 A376	T348-H379 HydrophobicContact CG2-CB 3.97Å; T348-H379 WeakPolarHBondContact CG2-O 3.29Å; T348-H379 PolarHBondContact OG1-O 2.95Å; F350-H379 HydrophobicContact CE2-CB 4.49Å; F350-H379 HydrophobicContact CZ-CB 4.22Å; I375-H379 PolarHBondContact O-CD2 3.21Å; I375-H379 VanDerWaalsContact O-CD2 3.29Å; I375-H379 PolarHBondContact O-N 2.95Å; A376-H379 CarbonylContact O-C 3.55Å; A376-H379 PolarHBondContact O-N 2.89Å
380	Q	89.7	Confident	92.3	Very high	61 Å²	61	24 Å²	24	29%	0.285	12%	0.115	S	C	.	.			trans	-64.2	147.2	179.3	-67.8	-177.6	19.4	0	0	112.4	A376 R377 I426	A376-Q380 WeakPolarHBondContact O-CG 3.43Å; A376-Q380 PolarHBondContact O-N 3.48Å; R377-Q380 WeakPolarHBondContact O-CG 3.45Å; Q380-I426 HydrophobicContact CG-CD1 4.35Å; Q380-I426 HydrophobicContact CG-CG1 3.81Å
381	P	89.6	Confident	92.2	Very high	48 Å²	48	22.3 Å²	22.3	31%	0.312	12%	0.115	S	C	.	.	S	Bend	cis	-70.4	137.2	-1.5	30.4	-34.9	0	0	0	111.7	S347 T348 R425	S347-P381 CarbonylContact C-O 3.58Å; S347-P381 WeakPolarHBondContact CA-O 3.19Å; S347-P381 VanDerWaalsContact CB-O 3.29Å; S347-P381 WeakPolarHBondContact CB-O 3.31Å; T348-P381 PolarHBondContact N-O 2.91Å; T348-P381 PolarHBondContact OG1-O 3.22Å; P381-R425 WeakPolarHBondContact CA-O 3.28Å; P381-R425 HydrophobicContact CB-CB 4.17Å
382	S	92	Very high	92.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.7	-173.1	65.4	0	0	0	0	112.2	T348 A376 R425 I426 L427	T348-S382 CarbonylContact O-C 3.57Å; T348-S382 WeakPolarHBondContact O-CA 3.39Å; T348-S382 WeakPolarHBondContact OG1-CA 3.4Å; T348-S382 WeakPolarHBondContact OG1-CB 3.36Å; A376-S382 PolarHBondContact O-OG 3.32Å; S382-R425 PolarHBondContact N-O 3.42Å; S382-R425 VanDerWaalsContact N-O 3.07Å; S382-I426 WeakPolarHBondContact O-CA 3.47Å; S382-I426 WeakPolarHBondContact OG-CG1 3.29Å; S382-L427 PolarHBondContact O-N 2.73Å
383	V	93.6	Very high	91.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.1	173	177.5	0	0	0	0	108.5	A342 T348 F349 F350 L427 I429	A342-V383 HydrophobicContact CB-CB 3.9Å; A342-V383 HydrophobicContact CB-CG1 4.36Å; A342-V383 HydrophobicContact CB-CG2 3.97Å; T348-V383 PolarHBondContact O-N 3.23Å; F349-V383 HydrophobicContact CD2-CB 4.18Å; F349-V383 HydrophobicContact CD2-CG1 4.07Å; F349-V383 HydrophobicContact CE2-CG1 4.17Å; F350-V383 PolarHBondContact N-O 2.88Å; V383-L427 CarbonylContact C-O 3.54Å; V383-L427 WeakPolarHBondContact CA-O 3.26Å; V383-L427 HydrophobicContact CG2-CB 4.33Å; V383-L427 HydrophobicContact CG2-CD2 4.43Å; V383-I429 HydrophobicContact CG1-CD1 3.59Å; V383-I429 HydrophobicContact CG1-CG1 4.04Å
384	I	95.3	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.2	171.9	-57.9	173.7	0	0	0	107.7	F350 L372 F373 A376 I386 I426 L427 F428 I429	F350-I384 HydrophobicContact CB-CG1 4.32Å; F350-I384 HydrophobicContact CD2-CG1 4.37Å; L372-I384 HydrophobicContact CD2-CG2 4.32Å; F373-I384 HydrophobicContact CD1-CD1 3.85Å; F373-I384 HydrophobicContact CD2-CD1 4.49Å; F373-I384 HydrophobicContact CE1-CD1 3.79Å; F373-I384 HydrophobicContact CE2-CD1 4.45Å; F373-I384 HydrophobicContact CG-CD1 4.22Å; F373-I384 HydrophobicContact CZ-CD1 4.11Å; A376-I384 HydrophobicContact CB-CD1 3.74Å; A376-I384 HydrophobicContact CB-CG1 4.03Å; I384-I386 HydrophobicContact CG2-CG1 4.3Å; I384-I426 HydrophobicContact CD1-CG2 3.88Å; I384-I426 HydrophobicContact CG1-CG2 4.17Å; I384-L427 PolarHBondContact N-O 3.49Å; I384-F428 HydrophobicContact CB-CD2 4.13Å; I384-F428 HydrophobicContact CG2-CD2 4.01Å; I384-F428 HydrophobicContact CG2-CE2 4.32Å; I384-F428 WeakPolarHBondContact O-CD2 3.2Å; I384-I429 PolarHBondContact O-N 3.45Å
385	F	96	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.2	176.5	-179.3	-93.2	0	0	0	110.8	L326 T335 F349 F350 I352 D387 I429 A431	L326-F385 HydrophobicContact CD1-CE2 4.44Å; T335-F385 HydrophobicContact CG2-CE1 3.78Å; T335-F385 HydrophobicContact CG2-CZ 4.26Å; F349-F385 HydrophobicContact CD2-CB 4.38Å; F349-F385 HydrophobicContact CE2-CB 3.33Å; F349-F385 HydrophobicContact CE2-CG 4.07Å; F349-F385 HydrophobicContact CZ-CB 3.5Å; F349-F385 VanDerWaalsContact CZ-CB 3.5Å; F349-F385 HydrophobicContact CZ-CD1 4.12Å; F349-F385 AromaticContact CZ-CG 3.86Å; F349-F385 HydrophobicContact CZ-CG 3.86Å; F350-F385 PolarHBondContact O-N 3.46Å; I352-F385 PolarHBondContact N-O 3.01Å; F385-D387 HydrophobicContact CE1-CB 3.84Å; F385-D387 HydrophobicContact CZ-CB 4.45Å; F385-I429 CarbonylContact C-O 3.52Å; F385-I429 VanDerWaalsContact CA-O 3.31Å; F385-I429 WeakPolarHBondContact CA-O 3.41Å; F385-I429 HydrophobicContact CD2-CB 3.93Å; F385-I429 HydrophobicContact CD2-CG2 3.72Å; F385-I429 HydrophobicContact CE2-CG2 4.02Å; F385-A431 HydrophobicContact CE1-CB 4.45Å; F385-A431 HydrophobicContact CE2-CB 3.77Å; F385-A431 HydrophobicContact CZ-CB 3.44Å; F385-A431 VanDerWaalsContact CZ-CB 3.44Å
386	I	95.5	Very high	90.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.1	173.8	-58.6	-173.3	0	0	0	109.6	I352 A354 I384 V389 F411 F428 I429 G430 A431	I352-I386 HydrophobicContact CG2-CD1 4.17Å; I352-I386 HydrophobicContact CG2-CG1 3.68Å; I352-I386 CarbonylContact O-C 3.56Å; I352-I386 VanDerWaalsContact O-CA 3.23Å; I352-I386 WeakPolarHBondContact O-CA 3.3Å; A354-I386 HydrophobicContact CB-CG2 3.78Å; I384-I386 HydrophobicContact CG2-CG1 4.3Å; I386-V389 HydrophobicContact CB-CG1 3.76Å; I386-V389 HydrophobicContact CG2-CG1 3.64Å; I386-V389 WeakPolarHBondContact O-CG1 3.37Å; I386-F411 HydrophobicContact CD1-CD2 4.34Å; I386-F411 HydrophobicContact CD1-CE2 3.27Å; I386-F411 HydrophobicContact CD1-CZ 3.4Å; I386-F411 VanDerWaalsContact CD1-CZ 3.4Å; I386-F428 HydrophobicContact CB-CE2 4.21Å; I386-F428 HydrophobicContact CB-CZ 4.47Å; I386-F428 HydrophobicContact CD1-CE2 3.7Å; I386-F428 HydrophobicContact CD1-CZ 4.21Å; I386-F428 HydrophobicContact CG1-CE2 3.77Å; I386-F428 HydrophobicContact CG1-CZ 4.42Å; I386-I429 PolarHBondContact N-O 3.17Å; I386-G430 CarbonylContact O-C 3.56Å; I386-G430 WeakPolarHBondContact O-CA 3.47Å; I386-A431 PolarHBondContact O-N 3.49Å
387	D	94.5	Very high	89.4	Confident	36 Å²	36	39.9 Å²	39.9	19%	0.193	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	151.7	172	-144.8	-16.6	0	0	0	111.1	T335 I352 A354 F385 V389	T335-D387 PolarHBondContact OG1-OD2 3.47Å; I352-D387 PolarHBondContact O-N 2.91Å; A354-D387 WeakPolarHBondContact CB-O 3.48Å; A354-D387 PolarHBondContact N-O 3.05Å; F385-D387 HydrophobicContact CE1-CB 3.84Å; F385-D387 HydrophobicContact CZ-CB 4.45Å; D387-V389 VanDerWaalsContact C-N 3.34Å; D387-V389 PolarHBondContact O-N 3.21Å
388	E	93.9	Very high	88.2	Confident	73 Å²	73	45.9 Å²	45.9	34%	0.341	23%	0.227	S	C	.	.			trans	55.1	42.9	-179.3	-53.3	179.8	142.2	0	0	113.5	S353 A354 S355 D390 S391 A431	S353-E388 PolarHBondContact OG-OE2 2.91Å; A354-E388 VanDerWaalsContact CB-O 3.24Å; A354-E388 WeakPolarHBondContact CB-O 3.44Å; S355-E388 PolarHBondContact OG-OE2 3.5Å; E388-D390 PolarHBondContact O-N 3.13Å; E388-S391 WeakPolarHBondContact O-CB 3.04Å; E388-S391 PolarHBondContact O-N 3.11Å; E388-S391 PolarHBondContact O-OG 2.97Å; E388-A431 WeakPolarHBondContact CA-O 3.26Å; E388-A431 PolarHBondContact N-O 2.93Å
389	V	94.5	Very high	87.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-22	-176.3	-66	0	0	0	0	113.7	L325 I386 D387 S391 L392 L393 A431 T432 F446	L325-V389 HydrophobicContact CD1-CG2 3.89Å; I386-V389 HydrophobicContact CB-CG1 3.76Å; I386-V389 HydrophobicContact CG2-CG1 3.64Å; I386-V389 WeakPolarHBondContact O-CG1 3.37Å; D387-V389 VanDerWaalsContact C-N 3.34Å; D387-V389 PolarHBondContact O-N 3.21Å; V389-S391 VanDerWaalsContact C-N 3.26Å; V389-S391 PolarHBondContact O-N 3.33Å; V389-L392 PolarHBondContact O-N 2.98Å; V389-L393 HydrophobicContact CB-CD1 4.44Å; V389-L393 WeakPolarHBondContact O-CB 3.22Å; V389-L393 PolarHBondContact O-N 2.95Å; V389-A431 PolarHBondContact N-O 3.4Å; V389-T432 HydrophobicContact CG2-CG2 4.44Å; V389-F446 HydrophobicContact CG2-CZ 4.33Å
390	D	92.4	Very high	86.8	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.08	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-37.9	171.4	46.6	-67.8	0	0	0	112.3	E388 L392 L393 T394 T432 R434 E437	E388-D390 PolarHBondContact O-N 3.13Å; D390-L392 VanDerWaalsContact C-N 3.3Å; D390-L392 PolarHBondContact O-N 3.46Å; D390-L393 PolarHBondContact O-N 2.8Å; D390-T394 WeakPolarHBondContact O-CA 3.4Å; D390-T394 VanDerWaalsContact O-CB 3.22Å; D390-T394 WeakPolarHBondContact O-CB 3.27Å; D390-T394 PolarHBondContact O-N 3.05Å; D390-T432 WeakPolarHBondContact CB-OG1 3.41Å; D390-T432 VanDerWaalsContact OD1-CB 3.31Å; D390-T432 WeakPolarHBondContact OD1-CB 3.47Å; D390-T432 PolarHBondContact OD1-OG1 3.28Å; D390-R434 HydrophobicContact CB-CB 4.36Å; D390-E437 HydrophobicContact CB-CB 4.31Å
391	S	88.7	Confident	86.3	Confident	41 Å²	41	52.3 Å²	52.3	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-65.7	-30.6	178.2	67.6	0	0	0	0	113.6	A354 S355 E388 V389	A354-S391 WeakPolarHBondContact CB-OG 3.43Å; S355-S391 PolarHBondContact N-OG 3.32Å; E388-S391 WeakPolarHBondContact O-CB 3.04Å; E388-S391 PolarHBondContact O-N 3.11Å; E388-S391 PolarHBondContact O-OG 2.97Å; V389-S391 VanDerWaalsContact C-N 3.26Å; V389-S391 PolarHBondContact O-N 3.33Å
392	L	88.5	Confident	86	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-90	-39.4	175.4	179.3	64.8	0	0	0	111.3	A354 L357 T358 V389 D390 I407 K408 F411	A354-L392 HydrophobicContact CB-CB 3.69Å; L357-L392 HydrophobicContact CD1-CD2 4.18Å; T358-L392 HydrophobicContact CG2-CD1 4.19Å; V389-L392 PolarHBondContact O-N 2.98Å; D390-L392 VanDerWaalsContact C-N 3.3Å; D390-L392 PolarHBondContact O-N 3.46Å; L392-I407 HydrophobicContact CD1-CB 4.39Å; L392-I407 HydrophobicContact CD1-CG2 3.74Å; L392-K408 HydrophobicContact CD1-CG 4.24Å; L392-K408 WeakPolarHBondContact O-CD 3.45Å; L392-K408 WeakPolarHBondContact O-CE 3.4Å; L392-K408 WeakPolarHBondContact O-CG 3.3Å; L392-F411 HydrophobicContact CD2-CB 4.38Å; L392-F411 HydrophobicContact CD2-CD1 4.15Å; L392-F411 HydrophobicContact CD2-CD2 4.13Å; L392-F411 HydrophobicContact CD2-CG 3.93Å
393	L	88.2	Confident	85.6	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-109.1	27.5	-168.8	-59.5	177.7	0	0	0	112.9	V389 D390 F411 L412 L438 D439 A442 F446	V389-L393 HydrophobicContact CB-CD1 4.44Å; V389-L393 WeakPolarHBondContact O-CB 3.22Å; V389-L393 PolarHBondContact O-N 2.95Å; D390-L393 PolarHBondContact O-N 2.8Å; L393-F411 HydrophobicContact CD1-CD1 4.33Å; L393-F411 HydrophobicContact CD1-CE1 4.02Å; L393-F411 HydrophobicContact CD2-CD1 3.92Å; L393-F411 HydrophobicContact CD2-CE1 4.43Å; L393-L412 HydrophobicContact CD2-CD2 4.35Å; L393-L438 HydrophobicContact CB-CD1 3.57Å; L393-L438 HydrophobicContact CD1-CD1 4.4Å; L393-D439 PolarHBondContact O-N 3.38Å; L393-A442 HydrophobicContact CB-CB 3.72Å; L393-A442 HydrophobicContact CD1-CB 3.71Å; L393-A442 HydrophobicContact CD2-CB 4.46Å; L393-A442 HydrophobicContact CG-CB 4.16Å; L393-F446 HydrophobicContact CD1-CE2 4.17Å; L393-F446 HydrophobicContact CD1-CZ 4.44Å
394	T	86.1	Confident	85.2	Confident	37 Å²	37	58.3 Å²	58.3	23%	0.227	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-63.9	154.5	175.3	-166.7	0	0	0	0	111.9	D390 K408 E437	D390-T394 WeakPolarHBondContact O-CA 3.4Å; D390-T394 VanDerWaalsContact O-CB 3.22Å; D390-T394 WeakPolarHBondContact O-CB 3.27Å; D390-T394 PolarHBondContact O-N 3.05Å; T394-K408 VanDerWaalsContact CG2-NZ 3.32Å; T394-K408 PolarHBondContact O-NZ 3.38Å; T394-E437 WeakPolarHBondContact CA-O 3.49Å
395	Q	79.7	Confident	84.7	Confident	109 Å²	109	61.7 Å²	61.7	51%	0.509	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-53.7	143.7	173.6	-68	174.2	43.6	0	0	111.4	S397 Q436 E437 D439	Q395-S397 PolarHBondContact O-N 3.22Å; Q395-Q436 PolarHBondContact NE2-O 3.41Å; Q395-E437 PolarHBondContact N-O 3.24Å; Q395-D439 HydrophobicContact CG-CB 4.21Å
396	R	74.8	Confident	84.3	Confident	183 Å²	183	68.8 Å²	68.8	69%	0.691	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.7	117.5	-178.7	-69	179.7	176	165.1	-1.7	110.2
397	S	73.7	Confident	84.1	Confident	52 Å²	52	69.1 Å²	69.1	36%	0.364	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-99.5	151.6	164.8	72.3	0	0	0	0	110.6	Q395 T399 E400 R405	Q395-S397 PolarHBondContact O-N 3.22Å; S397-T399 PolarHBondContact O-N 3.03Å; S397-T399 PolarHBondContact OG-OG1 2.74Å; S397-E400 PolarHBondContact O-N 3.34Å; S397-E400 VanDerWaalsContact OG-CG 3.23Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-N 2.86Å; S397-R405 PolarHBondContact O-NH2 3.37Å
398	E	67.2	Low	83.8	Confident	193 Å²	193	68.2 Å²	68.2	90%	0.902	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	175.8	-71.4	-172.8	161	0	0	112.2	R405	E398-R405 PolarHBondContact O-NH2 2.9Å
399	T	74.3	Confident	83.6	Confident	124 Å²	124	68.2 Å²	68.2	76%	0.761	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.2	-178.2	53.1	0	0	0	0	114.8	S397	S397-T399 PolarHBondContact O-N 3.03Å; S397-T399 PolarHBondContact OG-OG1 2.74Å
400	E	74	Confident	83.5	Confident	32 Å²	32	69.3 Å²	69.3	15%	0.15	34%	0.341	C	S	.	.			trans	-64.8	141.6	178.6	-73.2	-150.6	116.3	0	0	113.1	S397 R405 K408	S397-E400 PolarHBondContact O-N 3.34Å; S397-E400 VanDerWaalsContact OG-CG 3.23Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-N 2.86Å; E400-R405 HydrophobicContact CB-CG 4.27Å; E400-K408 VanDerWaalsContact OE1-CE 3.29Å; E400-K408 WeakPolarHBondContact OE1-CE 3.44Å; E400-K408 IonicContact OE1-NZ 2.83Å; E400-K408 PolarHBondContact OE1-NZ 2.87Å; E400-K408 IonicContact OE2-NZ 3.04Å; E400-K408 PolarHBondContact OE2-NZ 3.28Å
401	H	80.3	Confident	83.5	Confident	141 Å²	141	68.6 Å²	68.6	65%	0.653	34%	0.338	S	S	*	.			trans	-64.7	136.5	172.9	-61.6	-42.6	0	0	0	111.5	S403 S404 R405	H401-S403 PolarHBondContact O-N 3.01Å; H401-S403 VanDerWaalsContact O-N 3.12Å; H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 3.11Å; H401-R405 PolarHBondContact O-N 3.44Å
402	E	83.2	Confident	83.6	Confident	107 Å²	107	67.8 Å²	67.8	50%	0.5	33%	0.33	S	S	.	.	H	α-helix	trans	-56.5	-30.2	175.3	-74.2	-60.9	129.6	0	0	112.6	R405 R406	E402-R405 PolarHBondContact O-N 2.93Å; E402-R405 IonicContact OE1-CZ 3.81Å; E402-R405 IonicContact OE1-NE 2.73Å; E402-R405 IonicContact OE1-NH1 2.79Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; E402-R406 VanDerWaalsContact O-CG 3.32Å; E402-R406 WeakPolarHBondContact O-CG 3.37Å; E402-R406 PolarHBondContact O-N 3.43Å; E402-R406 VanDerWaalsContact O-N 3.12Å
403	S	83.7	Confident	83.8	Confident	53 Å²	53	71.6 Å²	71.6	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-45.5	174.3	52.2	0	0	0	0	112.8	H401 R405 R406 I407	H401-S403 PolarHBondContact O-N 3.01Å; H401-S403 VanDerWaalsContact O-N 3.12Å; S403-R405 VanDerWaalsContact C-N 3.33Å; S403-R405 PolarHBondContact O-N 3.25Å; S403-R406 PolarHBondContact O-N 3.25Å; S403-I407 VanDerWaalsContact O-CG1 3.32Å; S403-I407 WeakPolarHBondContact O-CG1 3.42Å; S403-I407 PolarHBondContact O-N 3.12Å; S403-I407 VanDerWaalsContact O-N 3.14Å
404	S	83.9	Confident	84	Confident	19 Å²	19	72.5 Å²	72.5	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-40.8	178.6	66.9	0	0	0	0	110.6	H401 R406 I407 K408	H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 3.11Å; S404-R406 VanDerWaalsContact C-N 3.32Å; S404-R406 PolarHBondContact O-N 3.27Å; S404-I407 PolarHBondContact O-N 3.21Å; S404-K408 VanDerWaalsContact O-CG 3.31Å; S404-K408 WeakPolarHBondContact O-CG 3.48Å; S404-K408 PolarHBondContact O-N 2.69Å
405	R	85.7	Confident	84.3	Confident	70 Å²	70	71 Å²	71	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-41.3	176.2	-67.4	178.8	177	175.9	0.3	112.7	S397 E398 E400 H401 E402 S403 K408 T409	S397-R405 PolarHBondContact O-NH2 3.37Å; E398-R405 PolarHBondContact O-NH2 2.9Å; E400-R405 HydrophobicContact CB-CG 4.27Å; H401-R405 PolarHBondContact O-N 3.44Å; E402-R405 PolarHBondContact O-N 2.93Å; E402-R405 IonicContact OE1-CZ 3.81Å; E402-R405 IonicContact OE1-NE 2.73Å; E402-R405 IonicContact OE1-NH1 2.79Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; S403-R405 VanDerWaalsContact C-N 3.33Å; S403-R405 PolarHBondContact O-N 3.25Å; R405-K408 PolarHBondContact O-N 2.79Å; R405-T409 PolarHBondContact O-N 2.91Å; R405-T409 PolarHBondContact O-OG1 3.38Å; R405-T409 VanDerWaalsContact O-OG1 3.05Å
406	R	88.3	Confident	84.7	Confident	149 Å²	149	68.6 Å²	68.6	56%	0.562	34%	0.339	S	S	*	.	H	α-helix	trans	-69.4	-41.4	177.7	-65.2	173.2	-168.9	-175.4	0.1	112.4	E366 E402 S403 S404 K408 T409 E410	E366-R406 HydrophobicContact CG-CB 4.08Å; E366-R406 WeakPolarHBondContact OE1-CB 3.41Å; E366-R406 WeakPolarHBondContact OE1-CD 3.47Å; E402-R406 VanDerWaalsContact O-CG 3.32Å; E402-R406 WeakPolarHBondContact O-CG 3.37Å; E402-R406 PolarHBondContact O-N 3.43Å; E402-R406 VanDerWaalsContact O-N 3.12Å; S403-R406 PolarHBondContact O-N 3.25Å; S404-R406 VanDerWaalsContact C-N 3.32Å; S404-R406 PolarHBondContact O-N 3.27Å; R406-K408 VanDerWaalsContact C-N 3.33Å; R406-K408 PolarHBondContact O-N 2.79Å; R406-T409 PolarHBondContact O-N 3.06Å; R406-E410 WeakPolarHBondContact O-CB 3.29Å; R406-E410 PolarHBondContact O-N 3.2Å
407	I	90.1	Very high	85.4	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-44.3	174.9	-60	165.6	0	0	0	110	E366 V369 L392 S403 S404 T409 E410 F411	E366-I407 HydrophobicContact CG-CG1 4.43Å; V369-I407 HydrophobicContact CG2-CG2 4.14Å; L392-I407 HydrophobicContact CD1-CB 4.39Å; L392-I407 HydrophobicContact CD1-CG2 3.74Å; S403-I407 VanDerWaalsContact O-CG1 3.32Å; S403-I407 WeakPolarHBondContact O-CG1 3.42Å; S403-I407 PolarHBondContact O-N 3.12Å; S403-I407 VanDerWaalsContact O-N 3.14Å; S404-I407 PolarHBondContact O-N 3.21Å; I407-T409 PolarHBondContact O-N 3.44Å; I407-E410 PolarHBondContact O-N 2.98Å; I407-F411 WeakPolarHBondContact O-CB 3.21Å; I407-F411 PolarHBondContact O-N 2.78Å
408	K	89	Confident	86	Confident	17 Å²	17	58.5 Å²	58.5	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-55.7	-50.6	174.6	-73.4	-172.4	-159.3	-171.4	0	112.2	L392 T394 E400 S404 R405 R406 F411 L412	L392-K408 HydrophobicContact CD1-CG 4.24Å; L392-K408 WeakPolarHBondContact O-CD 3.45Å; L392-K408 WeakPolarHBondContact O-CE 3.4Å; L392-K408 WeakPolarHBondContact O-CG 3.3Å; T394-K408 VanDerWaalsContact CG2-NZ 3.32Å; T394-K408 PolarHBondContact O-NZ 3.38Å; E400-K408 VanDerWaalsContact OE1-CE 3.29Å; E400-K408 WeakPolarHBondContact OE1-CE 3.44Å; E400-K408 IonicContact OE1-NZ 2.83Å; E400-K408 PolarHBondContact OE1-NZ 2.87Å; E400-K408 IonicContact OE2-NZ 3.04Å; E400-K408 PolarHBondContact OE2-NZ 3.28Å; S404-K408 VanDerWaalsContact O-CG 3.31Å; S404-K408 WeakPolarHBondContact O-CG 3.48Å; S404-K408 PolarHBondContact O-N 2.69Å; R405-K408 PolarHBondContact O-N 2.79Å; R406-K408 VanDerWaalsContact C-N 3.33Å; R406-K408 PolarHBondContact O-N 2.79Å; K408-F411 PolarHBondContact O-N 3.22Å; K408-L412 WeakPolarHBondContact O-CG 3.46Å; K408-L412 PolarHBondContact O-N 3.02Å
409	T	89.5	Confident	86.7	Confident	73 Å²	73	52.5 Å²	52.5	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-48.2	-179.8	-60.8	0	0	0	0	110.9	R405 R406 I407 F411 L412 V413	R405-T409 PolarHBondContact O-N 2.91Å; R405-T409 PolarHBondContact O-OG1 3.38Å; R405-T409 VanDerWaalsContact O-OG1 3.05Å; R406-T409 PolarHBondContact O-N 3.06Å; I407-T409 PolarHBondContact O-N 3.44Å; T409-F411 VanDerWaalsContact C-N 3.3Å; T409-F411 PolarHBondContact O-N 3.24Å; T409-L412 PolarHBondContact O-N 2.79Å; T409-V413 VanDerWaalsContact O-CG2 3.32Å; T409-V413 WeakPolarHBondContact O-CG2 2.99Å; T409-V413 PolarHBondContact O-N 2.88Å
410	E	92.1	Very high	86.9	Confident	24 Å²	24	51.4 Å²	51.4	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-43	178.1	-176.1	58.5	-145.1	0	0	111.5	E366 V369 R370 R406 I407 L412 V413 Q414	E366-E410 HydrophobicContact CB-CG 4.37Å; E366-E410 HydrophobicContact CG-CB 4.34Å; V369-E410 HydrophobicContact CB-CG 4.41Å; V369-E410 HydrophobicContact CG1-CG 4.13Å; R370-E410 HydrophobicContact CG-CG 4.01Å; R370-E410 WeakPolarHBondContact CG-OE1 3.4Å; R370-E410 IonicContact CZ-OE1 3.94Å; R370-E410 IonicContact CZ-OE2 2.72Å; R370-E410 VanDerWaalsContact CZ-OE2 3.23Å; R370-E410 IonicContact NE-OE1 3.73Å; R370-E410 PolarHBondContact NE-OE1 3.04Å; R370-E410 IonicContact NE-OE2 2.69Å; R370-E410 PolarHBondContact NE-OE2 3.48Å; R370-E410 IonicContact NH2-OE2 2.84Å; R370-E410 PolarHBondContact NH2-OE2 3.02Å; R406-E410 WeakPolarHBondContact O-CB 3.29Å; R406-E410 PolarHBondContact O-N 3.2Å; I407-E410 PolarHBondContact O-N 2.98Å; E410-L412 PolarHBondContact O-N 3.33Å; E410-V413 PolarHBondContact O-N 3.46Å; E410-Q414 WeakPolarHBondContact O-CG 3.4Å; E410-Q414 PolarHBondContact O-N 3.33Å; E410-Q414 PolarHBondContact OE1-NE2 2.84Å
411	F	92.6	Very high	87	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-46.4	178.1	-174.2	-97.7	0	0	0	112.5	V369 F373 I386 L392 L393 I407 K408 T409 V413 Q414 L415 F428	V369-F411 HydrophobicContact CG1-CB 4.26Å; V369-F411 HydrophobicContact CG1-CD2 3.98Å; V369-F411 HydrophobicContact CG2-CD2 4.36Å; F373-F411 HydrophobicContact CE2-CD2 4.14Å; F373-F411 AromaticContact CE2-CE2 3.85Å; F373-F411 HydrophobicContact CE2-CE2 3.85Å; F373-F411 HydrophobicContact CZ-CE2 4.09Å; I386-F411 HydrophobicContact CD1-CD2 4.34Å; I386-F411 HydrophobicContact CD1-CE2 3.27Å; I386-F411 HydrophobicContact CD1-CZ 3.4Å; I386-F411 VanDerWaalsContact CD1-CZ 3.4Å; L392-F411 HydrophobicContact CD2-CB 4.38Å; L392-F411 HydrophobicContact CD2-CD1 4.15Å; L392-F411 HydrophobicContact CD2-CD2 4.13Å; L392-F411 HydrophobicContact CD2-CG 3.93Å; L393-F411 HydrophobicContact CD1-CD1 4.33Å; L393-F411 HydrophobicContact CD1-CE1 4.02Å; L393-F411 HydrophobicContact CD2-CD1 3.92Å; L393-F411 HydrophobicContact CD2-CE1 4.43Å; I407-F411 WeakPolarHBondContact O-CB 3.21Å; I407-F411 PolarHBondContact O-N 2.78Å; K408-F411 PolarHBondContact O-N 3.22Å; T409-F411 VanDerWaalsContact C-N 3.3Å; T409-F411 PolarHBondContact O-N 3.24Å; F411-V413 VanDerWaalsContact C-N 3.32Å; F411-V413 PolarHBondContact O-N 2.96Å; F411-Q414 PolarHBondContact O-N 3.48Å; F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.23Å; F411-L415 HydrophobicContact CE1-CD1 3.27Å; F411-L415 HydrophobicContact CE1-CD2 4.41Å; F411-L415 HydrophobicContact CE1-CG 3.8Å; F411-L415 HydrophobicContact CZ-CD1 3.86Å; F411-L415 HydrophobicContact CZ-CD2 4.18Å; F411-L415 HydrophobicContact CZ-CG 4Å; F411-L415 WeakPolarHBondContact O-CG 3.43Å; F411-L415 PolarHBondContact O-N 2.89Å; F411-F428 HydrophobicContact CE1-CE1 4.28Å; F411-F428 HydrophobicContact CE1-CE2 4.43Å; F411-F428 AromaticContact CE1-CZ 3.86Å; F411-F428 HydrophobicContact CE1-CZ 3.86Å; F411-F428 HydrophobicContact CE2-CE2 4.34Å; F411-F428 HydrophobicContact CZ-CD2 4.39Å; F411-F428 HydrophobicContact CZ-CE1 4.12Å; F411-F428 AromaticContact CZ-CE2 3.53Å; F411-F428 HydrophobicContact CZ-CE2 3.53Å; F411-F428 AromaticContact CZ-CZ 3.38Å; F411-F428 HydrophobicContact CZ-CZ 3.38Å
412	L	91.1	Very high	86.7	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.12	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-37.1	176	-68.3	174.3	0	0	0	112	L393 K408 T409 E410 L415 D416 A441	L393-L412 HydrophobicContact CD2-CD2 4.35Å; K408-L412 WeakPolarHBondContact O-CG 3.46Å; K408-L412 PolarHBondContact O-N 3.02Å; T409-L412 PolarHBondContact O-N 2.79Å; E410-L412 PolarHBondContact O-N 3.33Å; L412-L415 PolarHBondContact O-N 2.92Å; L412-D416 WeakPolarHBondContact O-CB 3.47Å; L412-D416 VanDerWaalsContact O-CG 3.25Å; L412-D416 PolarHBondContact O-N 3.36Å; L412-A441 HydrophobicContact CD1-CB 4.33Å
413	V	92.5	Very high	86.3	Confident	82 Å²	82	55.4 Å²	55.4	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-44.5	175.2	169.8	0	0	0	0	111.3	T409 E410 F411 L415 D416 G417	T409-V413 VanDerWaalsContact O-CG2 3.32Å; T409-V413 WeakPolarHBondContact O-CG2 2.99Å; T409-V413 PolarHBondContact O-N 2.88Å; E410-V413 PolarHBondContact O-N 3.46Å; F411-V413 VanDerWaalsContact C-N 3.32Å; F411-V413 PolarHBondContact O-N 2.96Å; V413-L415 VanDerWaalsContact C-N 3.34Å; V413-L415 PolarHBondContact O-N 3.37Å; V413-D416 PolarHBondContact O-N 2.82Å; V413-G417 PolarHBondContact O-N 3.25Å
414	Q	92.4	Very high	86.3	Confident	25 Å²	25	53.9 Å²	53.9	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-38.3	176	-67.3	-56.8	-35.6	0	0	112.1	V369 F373 E410 F411 G417 I418	V369-Q414 HydrophobicContact CG1-CB 4.46Å; V369-Q414 HydrophobicContact CG1-CG 3.94Å; F373-Q414 HydrophobicContact CB-CB 4.27Å; F373-Q414 HydrophobicContact CB-CG 4.34Å; F373-Q414 HydrophobicContact CD1-CB 3.92Å; F373-Q414 HydrophobicContact CD2-CB 3.53Å; F373-Q414 HydrophobicContact CD2-CG 3.95Å; F373-Q414 HydrophobicContact CE1-CB 4.08Å; F373-Q414 HydrophobicContact CE2-CB 3.7Å; F373-Q414 HydrophobicContact CE2-CG 4.47Å; F373-Q414 HydrophobicContact CG-CB 3.64Å; F373-Q414 HydrophobicContact CG-CG 4.15Å; F373-Q414 HydrophobicContact CZ-CB 3.98Å; E410-Q414 WeakPolarHBondContact O-CG 3.4Å; E410-Q414 PolarHBondContact O-N 3.33Å; E410-Q414 PolarHBondContact OE1-NE2 2.84Å; F411-Q414 PolarHBondContact O-N 3.48Å; Q414-G417 PolarHBondContact O-N 2.99Å; Q414-I418 PolarHBondContact O-N 2.91Å; Q414-I418 VanDerWaalsContact O-N 3.16Å
415	L	91.4	Very high	86.5	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-46.1	174	-76.1	-175.9	0	0	0	112.7	F373 F411 L412 V413 G417 I418 T419 F428 R445	F373-L415 HydrophobicContact CE1-CD2 4.01Å; F373-L415 HydrophobicContact CZ-CD2 3.68Å; F373-L415 HydrophobicContact CZ-CG 4.19Å; F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.23Å; F411-L415 HydrophobicContact CE1-CD1 3.27Å; F411-L415 HydrophobicContact CE1-CD2 4.41Å; F411-L415 HydrophobicContact CE1-CG 3.8Å; F411-L415 HydrophobicContact CZ-CD1 3.86Å; F411-L415 HydrophobicContact CZ-CD2 4.18Å; F411-L415 HydrophobicContact CZ-CG 4Å; F411-L415 WeakPolarHBondContact O-CG 3.43Å; F411-L415 PolarHBondContact O-N 2.89Å; L412-L415 PolarHBondContact O-N 2.92Å; V413-L415 VanDerWaalsContact C-N 3.34Å; V413-L415 PolarHBondContact O-N 3.37Å; L415-G417 PolarHBondContact O-N 2.85Å; L415-I418 HydrophobicContact CD2-CD1 4.18Å; L415-I418 WeakPolarHBondContact O-CG1 3.43Å; L415-I418 PolarHBondContact O-N 3.07Å; L415-T419 WeakPolarHBondContact O-CG2 3.15Å; L415-F428 HydrophobicContact CD1-CD1 3.96Å; L415-F428 HydrophobicContact CD1-CE1 3.7Å; L415-F428 HydrophobicContact CD1-CZ 4.34Å; L415-F428 HydrophobicContact CD2-CB 3.77Å; L415-F428 HydrophobicContact CD2-CD1 3.29Å; L415-F428 HydrophobicContact CD2-CD2 3.78Å; L415-F428 HydrophobicContact CD2-CE1 3.76Å; L415-F428 HydrophobicContact CD2-CE2 4.25Å; L415-F428 HydrophobicContact CD2-CG 3.3Å; L415-F428 HydrophobicContact CD2-CZ 4.26Å; L415-F428 HydrophobicContact CG-CD1 4.3Å; L415-F428 HydrophobicContact CG-CE1 4.38Å; L415-R445 HydrophobicContact CD1-CB 4.47Å
416	D	90.1	Very high	86.8	Confident	59 Å²	59	55.7 Å²	55.7	32%	0.316	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-35.1	176.7	-66.5	-21.6	0	0	0	109.3	L412 V413 I418 T419 T420 R445	L412-D416 WeakPolarHBondContact O-CB 3.47Å; L412-D416 VanDerWaalsContact O-CG 3.25Å; L412-D416 PolarHBondContact O-N 3.36Å; V413-D416 PolarHBondContact O-N 2.82Å; D416-I418 PolarHBondContact O-N 2.63Å; D416-T419 PolarHBondContact O-N 3.49Å; D416-T419 VanDerWaalsContact O-N 3.07Å; D416-T419 PolarHBondContact O-OG1 3.26Å; D416-T420 PolarHBondContact O-N 3.02Å; D416-R445 VanDerWaalsContact OD1-CG 3.3Å; D416-R445 WeakPolarHBondContact OD1-CG 3.29Å; D416-R445 IonicContact OD1-CZ 3.2Å; D416-R445 IonicContact OD1-NE 3.83Å; D416-R445 PolarHBondContact OD1-NE 3.4Å; D416-R445 IonicContact OD1-NH2 2.91Å; D416-R445 IonicContact OD2-CZ 2.69Å; D416-R445 IonicContact OD2-NE 3.74Å; D416-R445 PolarHBondContact OD2-NE 2.9Å; D416-R445 IonicContact OD2-NH2 3.66Å; D416-R445 PolarHBondContact OD2-NH2 3.19Å
417	G	88.1	Confident	87	Confident	20 Å²	20	49.5 Å²	49.5	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-26.7	175.9	0	0	0	0	0	116.4	V413 Q414 L415 T419 T420	V413-G417 PolarHBondContact O-N 3.25Å; Q414-G417 PolarHBondContact O-N 2.99Å; L415-G417 PolarHBondContact O-N 2.85Å; G417-T419 VanDerWaalsContact C-N 3.32Å; G417-T420 PolarHBondContact O-OG1 3.2Å
418	I	86.1	Confident	87.2	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-80.3	-16	172.3	62.1	163	0	0	0	112.5	K322 F373 Q414 L415 D416 I426 F428	K322-I418 HydrophobicContact CB-CD1 4.15Å; K322-I418 HydrophobicContact CB-CG1 4.48Å; F373-I418 HydrophobicContact CD1-CG2 3.68Å; F373-I418 HydrophobicContact CE1-CD1 4.37Å; F373-I418 HydrophobicContact CE1-CG2 3.85Å; Q414-I418 PolarHBondContact O-N 2.91Å; Q414-I418 VanDerWaalsContact O-N 3.16Å; L415-I418 HydrophobicContact CD2-CD1 4.18Å; L415-I418 WeakPolarHBondContact O-CG1 3.43Å; L415-I418 PolarHBondContact O-N 3.07Å; D416-I418 PolarHBondContact O-N 2.63Å; I418-I426 HydrophobicContact CD1-CG2 4.38Å; I418-I426 HydrophobicContact CG2-CB 4.33Å; I418-I426 HydrophobicContact CG2-CD1 4.08Å; I418-I426 HydrophobicContact CG2-CG2 4.39Å; I418-F428 HydrophobicContact CD1-CB 3.85Å
419	T	82.2	Confident	87.6	Confident	68 Å²	68	48.4 Å²	48.4	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-87.4	-23.5	179.5	67.1	0	0	0	0	113.8	K322 L415 D416 G417	K322-T419 HydrophobicContact CB-CG2 4.05Å; K322-T419 HydrophobicContact CG-CG2 4.28Å; L415-T419 WeakPolarHBondContact O-CG2 3.15Å; D416-T419 PolarHBondContact O-N 3.49Å; D416-T419 VanDerWaalsContact O-N 3.07Å; D416-T419 PolarHBondContact O-OG1 3.26Å; G417-T419 VanDerWaalsContact C-N 3.32Å
420	T	79.5	Confident	87.9	Confident	100 Å²	100	45 Å²	45	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-77.6	-28.6	-176.6	51.1	0	0	0	0	113.6	D416 G417	D416-T420 PolarHBondContact O-N 3.02Å; G417-T420 PolarHBondContact O-OG1 3.2Å
421	N	76.2	Confident	88.2	Confident	80 Å²	80	43.8 Å²	43.8	43%	0.428	24%	0.237	S	C	.	.			trans	-101.9	101.4	-177.6	-66.4	-18.4	0	0	0	109.2	D423 E424	N421-D423 PolarHBondContact O-N 3.41Å; N421-D423 VanDerWaalsContact O-N 3.16Å; N421-E424 HydrophobicContact CB-CB 4.28Å; N421-E424 HydrophobicContact CB-CG 3.71Å; N421-E424 PolarHBondContact ND2-OE1 2.94Å; N421-E424 WeakPolarHBondContact O-CB 3.44Å; N421-E424 PolarHBondContact O-N 3.09Å
422	D	72.6	Confident	88.3	Confident	130 Å²	130	43.8 Å²	43.8	70%	0.695	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.7	-178.9	-74.7	-25.1	0	0	0	112.6	K322 E424	K322-D422 PolarHBondContact NZ-O 3.45Å; D422-E424 VanDerWaalsContact C-N 3.28Å; D422-E424 PolarHBondContact O-N 3.08Å
423	D	76.2	Confident	88.5	Confident	154 Å²	154	44.7 Å²	44.7	82%	0.824	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.6	177.9	-64.5	-29.1	0	0	0	113.8	N421 R425	N421-D423 PolarHBondContact O-N 3.41Å; N421-D423 VanDerWaalsContact O-N 3.16Å; D423-R425 PolarHBondContact O-N 3.49Å
424	E	83	Confident	88.6	Confident	21 Å²	21	47 Å²	47	10%	0.098	24%	0.241	C	C	.	.			trans	-74.4	114.6	-179.1	-74.7	-173.5	-160	0	0	111.3	K322 R377 N421 D422 I426	K322-E424 PolarHBondContact NZ-O 3.42Å; R377-E424 IonicContact CZ-OE1 3.64Å; R377-E424 IonicContact CZ-OE2 3.1Å; R377-E424 IonicContact NE-OE1 2.92Å; R377-E424 PolarHBondContact NE-OE1 3.35Å; R377-E424 IonicContact NE-OE2 3.04Å; R377-E424 PolarHBondContact NE-OE2 3.34Å; R377-E424 VanDerWaalsContact NE-OE2 3.08Å; R377-E424 IonicContact NH2-OE1 3.58Å; R377-E424 IonicContact NH2-OE2 2.63Å; N421-E424 HydrophobicContact CB-CB 4.28Å; N421-E424 HydrophobicContact CB-CG 3.71Å; N421-E424 PolarHBondContact ND2-OE1 2.94Å; N421-E424 WeakPolarHBondContact O-CB 3.44Å; N421-E424 PolarHBondContact O-N 3.09Å; D422-E424 VanDerWaalsContact C-N 3.28Å; D422-E424 PolarHBondContact O-N 3.08Å; E424-I426 VanDerWaalsContact C-N 3.26Å; E424-I426 PolarHBondContact O-N 2.95Å; E424-I426 VanDerWaalsContact O-N 3.12Å
425	R	87.5	Confident	88.7	Confident	125 Å²	125	45.8 Å²	45.8	47%	0.472	24%	0.236	S	C	.	.			trans	-90.5	56.5	177.7	-59.2	-154	-122.5	-142.5	0.6	112.3	P381 S382 D423	P381-R425 WeakPolarHBondContact CA-O 3.28Å; P381-R425 HydrophobicContact CB-CB 4.17Å; S382-R425 PolarHBondContact N-O 3.42Å; S382-R425 VanDerWaalsContact N-O 3.07Å; D423-R425 PolarHBondContact O-N 3.49Å
426	I	92.2	Very high	88.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.1	174	-51.8	-173.8	0	0	0	109.1	A376 R377 Q380 S382 I384 I418 E424	A376-I426 HydrophobicContact CB-CD1 4.19Å; R377-I426 HydrophobicContact CB-CD1 4.32Å; R377-I426 HydrophobicContact CG-CD1 3.51Å; Q380-I426 HydrophobicContact CG-CD1 4.35Å; Q380-I426 HydrophobicContact CG-CG1 3.81Å; S382-I426 WeakPolarHBondContact O-CA 3.47Å; S382-I426 WeakPolarHBondContact OG-CG1 3.29Å; I384-I426 HydrophobicContact CD1-CG2 3.88Å; I384-I426 HydrophobicContact CG1-CG2 4.17Å; I418-I426 HydrophobicContact CD1-CG2 4.38Å; I418-I426 HydrophobicContact CG2-CB 4.33Å; I418-I426 HydrophobicContact CG2-CD1 4.08Å; I418-I426 HydrophobicContact CG2-CG2 4.39Å; E424-I426 VanDerWaalsContact C-N 3.26Å; E424-I426 PolarHBondContact O-N 2.95Å; E424-I426 VanDerWaalsContact O-N 3.12Å
427	L	92.7	Very high	88.9	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.5	170.1	177.3	65.1	0	0	0	109.2	V304 P321 I341 S382 V383 I384 I429	V304-L427 HydrophobicContact CB-CD2 4.36Å; V304-L427 HydrophobicContact CG1-CD2 3.86Å; V304-L427 HydrophobicContact CG2-CD2 3.54Å; P321-L427 WeakPolarHBondContact O-CD1 3.19Å; I341-L427 HydrophobicContact CG2-CD2 4.1Å; S382-L427 PolarHBondContact O-N 2.73Å; V383-L427 CarbonylContact C-O 3.54Å; V383-L427 WeakPolarHBondContact CA-O 3.26Å; V383-L427 HydrophobicContact CG2-CB 4.33Å; V383-L427 HydrophobicContact CG2-CD2 4.43Å; I384-L427 PolarHBondContact N-O 3.49Å; L427-I429 HydrophobicContact CD2-CD1 3.91Å; L427-I429 HydrophobicContact CD2-CG1 4.07Å; L427-I429 HydrophobicContact CG-CD1 4.33Å; L427-I429 HydrophobicContact CG-CG1 3.94Å
428	F	95.3	Very high	89.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127	172.4	176.2	-113.3	0	0	0	110.9	K322 L324 I384 I386 F411 L415 I418 F446	K322-F428 WeakPolarHBondContact O-CA 3.42Å; K322-F428 WeakPolarHBondContact O-CB 2.97Å; K322-F428 PolarHBondContact O-N 2.8Å; L324-F428 PolarHBondContact N-O 3.24Å; I384-F428 HydrophobicContact CB-CD2 4.13Å; I384-F428 HydrophobicContact CG2-CD2 4.01Å; I384-F428 HydrophobicContact CG2-CE2 4.32Å; I384-F428 WeakPolarHBondContact O-CD2 3.2Å; I386-F428 HydrophobicContact CB-CE2 4.21Å; I386-F428 HydrophobicContact CB-CZ 4.47Å; I386-F428 HydrophobicContact CD1-CE2 3.7Å; I386-F428 HydrophobicContact CD1-CZ 4.21Å; I386-F428 HydrophobicContact CG1-CE2 3.77Å; I386-F428 HydrophobicContact CG1-CZ 4.42Å; F411-F428 HydrophobicContact CE1-CE1 4.28Å; F411-F428 HydrophobicContact CE1-CE2 4.43Å; F411-F428 AromaticContact CE1-CZ 3.86Å; F411-F428 HydrophobicContact CE1-CZ 3.86Å; F411-F428 HydrophobicContact CE2-CE2 4.34Å; F411-F428 HydrophobicContact CZ-CD2 4.39Å; F411-F428 HydrophobicContact CZ-CE1 4.12Å; F411-F428 AromaticContact CZ-CE2 3.53Å; F411-F428 HydrophobicContact CZ-CE2 3.53Å; F411-F428 AromaticContact CZ-CZ 3.38Å; F411-F428 HydrophobicContact CZ-CZ 3.38Å; L415-F428 HydrophobicContact CD1-CD1 3.96Å; L415-F428 HydrophobicContact CD1-CE1 3.7Å; L415-F428 HydrophobicContact CD1-CZ 4.34Å; L415-F428 HydrophobicContact CD2-CB 3.77Å; L415-F428 HydrophobicContact CD2-CD1 3.29Å; L415-F428 HydrophobicContact CD2-CD2 3.78Å; L415-F428 HydrophobicContact CD2-CE1 3.76Å; L415-F428 HydrophobicContact CD2-CE2 4.25Å; L415-F428 HydrophobicContact CD2-CG 3.3Å; L415-F428 HydrophobicContact CD2-CZ 4.26Å; L415-F428 HydrophobicContact CG-CD1 4.3Å; L415-F428 HydrophobicContact CG-CE1 4.38Å; I418-F428 HydrophobicContact CD1-CB 3.85Å; F428-F446 HydrophobicContact CD1-CD1 4.48Å; F428-F446 AromaticContact CD1-CE1 3.79Å; F428-F446 HydrophobicContact CD1-CE1 3.79Å; F428-F446 HydrophobicContact CD1-CZ 4.43Å; F428-F446 HydrophobicContact CE1-CD1 4.24Å; F428-F446 AromaticContact CE1-CE1 3.22Å; F428-F446 HydrophobicContact CE1-CE1 3.22Å; F428-F446 AromaticContact CE1-CZ 3.46Å; F428-F446 HydrophobicContact CE1-CZ 3.46Å; F428-F446 VanDerWaalsContact CE1-CZ 3.46Å; F428-F446 HydrophobicContact CZ-CE1 4.09Å; F428-F446 HydrophobicContact CZ-CZ 4.08Å
429	I	96.2	Very high	89.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	178.3	-51.1	-179.1	0	0	0	109	L324 L326 I341 V383 I384 F385 I386 L427	L324-I429 HydrophobicContact CB-CG1 4.42Å; L324-I429 HydrophobicContact CD2-CD1 4.42Å; L324-I429 HydrophobicContact CD2-CG1 4.34Å; L324-I429 HydrophobicContact CD2-CG2 4.41Å; L324-I429 CarbonylContact O-C 3.6Å; L324-I429 VanDerWaalsContact O-CA 3.29Å; L324-I429 WeakPolarHBondContact O-CA 3.24Å; L326-I429 HydrophobicContact CD1-CG2 3.9Å; L326-I429 HydrophobicContact CG-CG2 3.9Å; I341-I429 HydrophobicContact CB-CD1 4.32Å; I341-I429 HydrophobicContact CD1-CD1 3.71Å; I341-I429 HydrophobicContact CG2-CD1 4.06Å; V383-I429 HydrophobicContact CG1-CD1 3.59Å; V383-I429 HydrophobicContact CG1-CG1 4.04Å; I384-I429 PolarHBondContact O-N 3.45Å; F385-I429 CarbonylContact C-O 3.52Å; F385-I429 VanDerWaalsContact CA-O 3.31Å; F385-I429 WeakPolarHBondContact CA-O 3.41Å; F385-I429 HydrophobicContact CD2-CB 3.93Å; F385-I429 HydrophobicContact CD2-CG2 3.72Å; F385-I429 HydrophobicContact CE2-CG2 4.02Å; I386-I429 PolarHBondContact N-O 3.17Å; L427-I429 HydrophobicContact CD2-CD1 3.91Å; L427-I429 HydrophobicContact CD2-CG1 4.07Å; L427-I429 HydrophobicContact CG-CD1 4.33Å; L427-I429 HydrophobicContact CG-CG1 3.94Å
430	G	96.6	Very high	89.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.1	170	0	0	0	0	0	110.9	L324 L325 L326 I386	L324-G430 PolarHBondContact O-N 3.2Å; L325-G430 CarbonylContact C-O 3.59Å; L325-G430 WeakPolarHBondContact CA-O 3.38Å; L326-G430 PolarHBondContact N-O 2.88Å; I386-G430 CarbonylContact O-C 3.56Å; I386-G430 WeakPolarHBondContact O-CA 3.47Å
431	A	97	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.7	169.1	0	0	0	0	0	111.1	L326 K334 F385 I386 E388 V389	L326-A431 VanDerWaalsContact O-CA 3.28Å; L326-A431 WeakPolarHBondContact O-CA 3.32Å; K334-A431 HydrophobicContact CB-CB 4.04Å; K334-A431 HydrophobicContact CD-CB 4.41Å; F385-A431 HydrophobicContact CE1-CB 4.45Å; F385-A431 HydrophobicContact CE2-CB 3.77Å; F385-A431 HydrophobicContact CZ-CB 3.44Å; F385-A431 VanDerWaalsContact CZ-CB 3.44Å; I386-A431 PolarHBondContact O-N 3.49Å; E388-A431 WeakPolarHBondContact CA-O 3.26Å; E388-A431 PolarHBondContact N-O 2.93Å; V389-A431 PolarHBondContact N-O 3.4Å
432	T	96.1	Very high	90.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.7	177.1	-178.1	0	0	0	0	111.9	L325 L326 F327 G328 K334 V389 D390 R434 P435	L325-T432 HydrophobicContact CD1-CG2 3.9Å; L325-T432 HydrophobicContact CD2-CG2 4.5Å; L325-T432 HydrophobicContact CG-CG2 4.41Å; L326-T432 PolarHBondContact O-N 3.32Å; F327-T432 WeakPolarHBondContact CA-O 3.48Å; F327-T432 HydrophobicContact CB-CG2 3.71Å; G328-T432 PolarHBondContact N-O 3.33Å; K334-T432 WeakPolarHBondContact CE-O 3.48Å; V389-T432 HydrophobicContact CG2-CG2 4.44Å; D390-T432 WeakPolarHBondContact CB-OG1 3.41Å; D390-T432 VanDerWaalsContact OD1-CB 3.31Å; D390-T432 WeakPolarHBondContact OD1-CB 3.47Å; D390-T432 PolarHBondContact OD1-OG1 3.28Å; T432-R434 PolarHBondContact OG1-N 2.88Å; T432-P435 HydrophobicContact CG2-CB 4.09Å
433	N	94.7	Very high	91.8	Very high	42 Å²	42	39.7 Å²	39.7	23%	0.225	19%	0.187	C	C	.	.	S	Bend	trans	-93.6	-9.9	167	-59.9	-49.5	0	0	0	111.5	P330 K334 Y550	P330-N433 WeakPolarHBondContact CA-OD1 3.32Å; K334-N433 WeakPolarHBondContact CE-OD1 3.27Å; K334-N433 PolarHBondContact NZ-OD1 2.94Å; N433-Y550 WeakPolarHBondContact O-CE1 3.41Å; N433-Y550 PolarHBondContact O-OH 3.44Å
434	R	94	Very high	92.5	Very high	130 Å²	130	40.5 Å²	40.5	49%	0.491	18%	0.178	S	C	.	.			trans	-131.9	65.6	-172.3	-56.3	-167.6	-173	170.9	2.5	111	D390 T432 Q436 E437	D390-R434 HydrophobicContact CB-CB 4.36Å; T432-R434 PolarHBondContact OG1-N 2.88Å; R434-Q436 PolarHBondContact O-N 2.74Å; R434-Q436 VanDerWaalsContact O-N 3.07Å; R434-E437 HydrophobicContact CB-CB 4.41Å; R434-E437 HydrophobicContact CB-CG 4.05Å; R434-E437 WeakPolarHBondContact CD-OE1 3.22Å; R434-E437 IonicContact CZ-OE1 3.5Å; R434-E437 IonicContact NE-OE1 3.58Å; R434-E437 IonicContact NH1-OE1 2.75Å; R434-E437 PolarHBondContact NH1-OE1 3.49Å; R434-E437 IonicContact NH1-OE2 2.71Å; R434-E437 PolarHBondContact O-N 2.96Å
435	P	94.7	Very high	93	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.2	-174	31.6	-40.2	0	0	0	113.5	F327 T432 E437 L438 Y550 W553	F327-P435 HydrophobicContact CB-CB 4.04Å; F327-P435 HydrophobicContact CB-CG 4.35Å; F327-P435 HydrophobicContact CD2-CB 4.14Å; F327-P435 HydrophobicContact CD2-CG 3.92Å; F327-P435 HydrophobicContact CG-CB 4.24Å; F327-P435 HydrophobicContact CG-CG 4.45Å; T432-P435 HydrophobicContact CG2-CB 4.09Å; P435-E437 VanDerWaalsContact C-N 3.34Å; P435-L438 WeakPolarHBondContact O-CB 3.07Å; P435-L438 PolarHBondContact O-N 2.93Å; P435-Y550 HydrophobicContact CG-CD1 4.1Å; P435-Y550 HydrophobicContact CG-CE1 4.19Å; P435-W553 VanDerWaalsContact C-NE1 3.35Å; P435-W553 HydrophobicContact CB-CD2 3.73Å; P435-W553 HydrophobicContact CB-CE3 4.11Å; P435-W553 HydrophobicContact CB-CG 4.23Å; P435-W553 HydrophobicContact CB-CH2 4.09Å; P435-W553 HydrophobicContact CB-CZ2 3.7Å; P435-W553 HydrophobicContact CB-CZ3 4.29Å; P435-W553 HydrophobicContact CG-CD2 4.03Å; P435-W553 HydrophobicContact CG-CE3 4.44Å; P435-W553 HydrophobicContact CG-CG 4.09Å; P435-W553 PolarHBondContact O-NE1 3.05Å
436	Q	93.6	Very high	93.3	Very high	67 Å²	67	36.6 Å²	36.6	31%	0.313	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-69	-25.2	173.2	67.9	-81.5	9.6	0	0	114.3	Q395 R434 L438	Q395-Q436 PolarHBondContact NE2-O 3.41Å; R434-Q436 PolarHBondContact O-N 2.74Å; R434-Q436 VanDerWaalsContact O-N 3.07Å; Q436-L438 VanDerWaalsContact C-N 3.27Å
437	E	92.9	Very high	93.2	Very high	59 Å²	59	40.7 Å²	40.7	28%	0.276	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-80.3	-13.5	179.6	-64.6	-173.1	-162.6	0	0	112	D390 T394 Q395 R434 P435 D439	D390-E437 HydrophobicContact CB-CB 4.31Å; T394-E437 WeakPolarHBondContact CA-O 3.49Å; Q395-E437 PolarHBondContact N-O 3.24Å; R434-E437 HydrophobicContact CB-CB 4.41Å; R434-E437 HydrophobicContact CB-CG 4.05Å; R434-E437 WeakPolarHBondContact CD-OE1 3.22Å; R434-E437 IonicContact CZ-OE1 3.5Å; R434-E437 IonicContact NE-OE1 3.58Å; R434-E437 IonicContact NH1-OE1 2.75Å; R434-E437 PolarHBondContact NH1-OE1 3.49Å; R434-E437 IonicContact NH1-OE2 2.71Å; R434-E437 PolarHBondContact O-N 2.96Å; P435-E437 VanDerWaalsContact C-N 3.34Å; E437-D439 PolarHBondContact O-N 3.1Å
438	L	92.4	Very high	93.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-71.9	125.9	-175.2	-166.6	67.1	0	0	0	112.3	L325 L393 P435 Q436 A442 R443 F446	L325-L438 HydrophobicContact CD1-CD2 4.48Å; L325-L438 HydrophobicContact CD2-CD2 3.94Å; L393-L438 HydrophobicContact CB-CD1 3.57Å; L393-L438 HydrophobicContact CD1-CD1 4.4Å; P435-L438 WeakPolarHBondContact O-CB 3.07Å; P435-L438 PolarHBondContact O-N 2.93Å; Q436-L438 VanDerWaalsContact C-N 3.27Å; L438-A442 HydrophobicContact CD1-CB 3.68Å; L438-A442 HydrophobicContact CG-CB 3.97Å; L438-R443 HydrophobicContact CB-CG 4.34Å; L438-R443 HydrophobicContact CD2-CG 3.67Å; L438-R443 HydrophobicContact CG-CG 3.97Å; L438-R443 PolarHBondContact O-NE 3.11Å; L438-F446 HydrophobicContact CD2-CD2 4.02Å; L438-F446 HydrophobicContact CD2-CE2 4.11Å
439	D	90.5	Very high	93.3	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	21%	0.205	C	C	.	.			trans	-65	152.7	178.5	-166.3	8	0	0	0	112.1	L393 Q395 E437 A441 A442 R443	L393-D439 PolarHBondContact O-N 3.38Å; Q395-D439 HydrophobicContact CG-CB 4.21Å; E437-D439 PolarHBondContact O-N 3.1Å; D439-A441 PolarHBondContact O-N 3.32Å; D439-A442 PolarHBondContact O-N 2.86Å; D439-A442 VanDerWaalsContact O-N 3.16Å; D439-R443 PolarHBondContact O-N 3.18Å
440	E	90.4	Very high	93.3	Very high	89 Å²	89	45.4 Å²	45.4	42%	0.416	21%	0.206	S	C	.	.	H	α-helix	trans	-56.5	-40.9	176.4	-165.4	-170.5	157.8	0	0	112.2	A442 R443 R444	E440-A442 VanDerWaalsContact C-N 3.33Å; E440-A442 PolarHBondContact O-N 3.05Å; E440-R443 VanDerWaalsContact CA-NH2 3.31Å; E440-R443 VanDerWaalsContact CB-NH2 3.29Å; E440-R443 PolarHBondContact O-N 3.45Å; E440-R444 WeakPolarHBondContact O-CG 3.48Å; E440-R444 PolarHBondContact O-N 2.96Å; E440-R444 IonicContact OE1-CZ 2.85Å; E440-R444 VanDerWaalsContact OE1-CZ 3.28Å; E440-R444 IonicContact OE1-NE 3.48Å; E440-R444 PolarHBondContact OE1-NE 3.31Å; E440-R444 VanDerWaalsContact OE1-NE 3.17Å; E440-R444 IonicContact OE1-NH2 3.6Å; E440-R444 PolarHBondContact OE1-NH2 2.88Å
441	A	89.9	Confident	93.3	Very high	30 Å²	30	45.8 Å²	45.8	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-53.6	-51.5	176.1	0	0	0	0	0	110.6	L412 D439 R444 R445	L412-A441 HydrophobicContact CD1-CB 4.33Å; D439-A441 PolarHBondContact O-N 3.32Å; A441-R444 PolarHBondContact O-N 3.26Å; A441-R445 WeakPolarHBondContact O-CD 3.45Å; A441-R445 PolarHBondContact O-NH1 3.49Å
442	A	90.2	Very high	93.2	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-42.3	178.9	0	0	0	0	0	112.2	L393 L438 D439 E440 R444 R445 F446	L393-A442 HydrophobicContact CB-CB 3.72Å; L393-A442 HydrophobicContact CD1-CB 3.71Å; L393-A442 HydrophobicContact CD2-CB 4.46Å; L393-A442 HydrophobicContact CG-CB 4.16Å; L438-A442 HydrophobicContact CD1-CB 3.68Å; L438-A442 HydrophobicContact CG-CB 3.97Å; D439-A442 PolarHBondContact O-N 2.86Å; D439-A442 VanDerWaalsContact O-N 3.16Å; E440-A442 VanDerWaalsContact C-N 3.33Å; E440-A442 PolarHBondContact O-N 3.05Å; A442-R444 PolarHBondContact O-N 3.22Å; A442-R445 PolarHBondContact O-N 3.19Å; A442-F446 VanDerWaalsContact O-CD2 3.29Å; A442-F446 WeakPolarHBondContact O-CD2 3.3Å; A442-F446 PolarHBondContact O-N 3.33Å
443	R	92.2	Very high	93.2	Very high	44 Å²	44	47.1 Å²	47.1	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-53.6	-38.8	177	-76.6	-174.2	-70.6	120.8	-1.5	112.2	L438 D439 E440 R445 F446 R449	L438-R443 HydrophobicContact CB-CG 4.34Å; L438-R443 HydrophobicContact CD2-CG 3.67Å; L438-R443 HydrophobicContact CG-CG 3.97Å; L438-R443 PolarHBondContact O-NE 3.11Å; D439-R443 PolarHBondContact O-N 3.18Å; E440-R443 VanDerWaalsContact CA-NH2 3.31Å; E440-R443 VanDerWaalsContact CB-NH2 3.29Å; E440-R443 PolarHBondContact O-N 3.45Å; R443-R445 VanDerWaalsContact C-N 3.28Å; R443-R445 PolarHBondContact O-N 2.95Å; R443-F446 PolarHBondContact O-N 2.98Å; R443-R449 PolarHBondContact O-NE 2.91Å; R443-R449 PolarHBondContact O-NH2 3.24Å
444	R	91.5	Very high	93.2	Very high	171 Å²	171	46.3 Å²	46.3	65%	0.645	21%	0.211	S	C	*	.	H	α-helix	trans	-63.1	-27.8	178.6	-69.8	174	-174.5	-172.2	1.3	114.1	E440 A441 A442	E440-R444 WeakPolarHBondContact O-CG 3.48Å; E440-R444 PolarHBondContact O-N 2.96Å; E440-R444 IonicContact OE1-CZ 2.85Å; E440-R444 VanDerWaalsContact OE1-CZ 3.28Å; E440-R444 IonicContact OE1-NE 3.48Å; E440-R444 PolarHBondContact OE1-NE 3.31Å; E440-R444 VanDerWaalsContact OE1-NE 3.17Å; E440-R444 IonicContact OE1-NH2 3.6Å; E440-R444 PolarHBondContact OE1-NH2 2.88Å; A441-R444 PolarHBondContact O-N 3.26Å; A442-R444 PolarHBondContact O-N 3.22Å
445	R	91.5	Very high	93.2	Very high	63 Å²	63	40.8 Å²	40.8	24%	0.238	19%	0.193	C	C	.	.	H	α-helix	trans	-83.9	-27.3	180	-76	75.6	176.8	-153.5	-4.9	112.7	L415 D416 A441 A442 R443 V447	L415-R445 HydrophobicContact CD1-CB 4.47Å; D416-R445 VanDerWaalsContact OD1-CG 3.3Å; D416-R445 WeakPolarHBondContact OD1-CG 3.29Å; D416-R445 IonicContact OD1-CZ 3.2Å; D416-R445 IonicContact OD1-NE 3.83Å; D416-R445 PolarHBondContact OD1-NE 3.4Å; D416-R445 IonicContact OD1-NH2 2.91Å; D416-R445 IonicContact OD2-CZ 2.69Å; D416-R445 IonicContact OD2-NE 3.74Å; D416-R445 PolarHBondContact OD2-NE 2.9Å; D416-R445 IonicContact OD2-NH2 3.66Å; D416-R445 PolarHBondContact OD2-NH2 3.19Å; A441-R445 WeakPolarHBondContact O-CD 3.45Å; A441-R445 PolarHBondContact O-NH1 3.49Å; A442-R445 PolarHBondContact O-N 3.19Å; R443-R445 VanDerWaalsContact C-N 3.28Å; R443-R445 PolarHBondContact O-N 2.95Å; R445-V447 VanDerWaalsContact C-N 3.33Å; R445-V447 PolarHBondContact O-N 3.29Å
446	F	94.3	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.			trans	-79.8	84.2	169.8	-64.9	-65.3	0	0	0	109.9	L324 L325 V389 L393 F428 L438 A442 R443 K448 R449	L324-F446 WeakPolarHBondContact O-CD1 3.34Å; L325-F446 HydrophobicContact CB-CB 3.79Å; L325-F446 HydrophobicContact CB-CD1 3.72Å; L325-F446 HydrophobicContact CB-CD2 4.27Å; L325-F446 HydrophobicContact CB-CE1 4.29Å; L325-F446 HydrophobicContact CB-CG 3.68Å; L325-F446 HydrophobicContact CD1-CD1 4.34Å; L325-F446 HydrophobicContact CD1-CD2 4.11Å; L325-F446 HydrophobicContact CD1-CE1 4.15Å; L325-F446 HydrophobicContact CD1-CE2 3.95Å; L325-F446 HydrophobicContact CD1-CG 4.3Å; L325-F446 HydrophobicContact CD1-CZ 3.96Å; L325-F446 HydrophobicContact CD2-CD2 4.46Å; L325-F446 HydrophobicContact CG-CG 4.41Å; V389-F446 HydrophobicContact CG2-CZ 4.33Å; L393-F446 HydrophobicContact CD1-CE2 4.17Å; L393-F446 HydrophobicContact CD1-CZ 4.44Å; F428-F446 HydrophobicContact CD1-CD1 4.48Å; F428-F446 AromaticContact CD1-CE1 3.79Å; F428-F446 HydrophobicContact CD1-CE1 3.79Å; F428-F446 HydrophobicContact CD1-CZ 4.43Å; F428-F446 HydrophobicContact CE1-CD1 4.24Å; F428-F446 AromaticContact CE1-CE1 3.22Å; F428-F446 HydrophobicContact CE1-CE1 3.22Å; F428-F446 AromaticContact CE1-CZ 3.46Å; F428-F446 HydrophobicContact CE1-CZ 3.46Å; F428-F446 VanDerWaalsContact CE1-CZ 3.46Å; F428-F446 HydrophobicContact CZ-CE1 4.09Å; F428-F446 HydrophobicContact CZ-CZ 4.08Å; L438-F446 HydrophobicContact CD2-CD2 4.02Å; L438-F446 HydrophobicContact CD2-CE2 4.11Å; A442-F446 VanDerWaalsContact O-CD2 3.29Å; A442-F446 WeakPolarHBondContact O-CD2 3.3Å; A442-F446 PolarHBondContact O-N 3.33Å; R443-F446 PolarHBondContact O-N 2.98Å; F446-K448 VanDerWaalsContact C-N 3.32Å; F446-K448 PolarHBondContact O-N 3.01Å; F446-R449 HydrophobicContact CB-CG 4.16Å; F446-R449 PolarHBondContact O-NE 3.07Å; F446-R449 PolarHBondContact O-NH2 3.36Å
447	V	90.8	Very high	93.4	Very high	90 Å²	90	46.8 Å²	46.8	55%	0.545	22%	0.223	S	C	.	.			trans	-64.1	-39.3	-178.2	-176.8	0	0	0	0	111.1	P321 G323 R445	P321-V447 HydrophobicContact CB-CB 4.27Å; P321-V447 HydrophobicContact CB-CG1 4.45Å; G323-V447 PolarHBondContact O-N 3.34Å; G323-V447 VanDerWaalsContact O-N 3.17Å; R445-V447 VanDerWaalsContact C-N 3.33Å; R445-V447 PolarHBondContact O-N 3.29Å
448	K	93.6	Very high	93.5	Very high	70 Å²	70	46.7 Å²	46.7	30%	0.304	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.8	172.7	-69.2	-63.6	-171.2	174.9	0	110.2	I303 P321 G323 L324 L325 F446 F560	I303-K448 HydrophobicContact CD1-CB 4.35Å; I303-K448 HydrophobicContact CD1-CD 4.45Å; I303-K448 HydrophobicContact CD1-CG 4.06Å; P321-K448 HydrophobicContact CB-CG 4.02Å; P321-K448 HydrophobicContact CG-CG 3.75Å; G323-K448 PolarHBondContact O-N 3.48Å; L324-K448 CarbonylContact C-O 3.57Å; L324-K448 WeakPolarHBondContact CA-O 3.28Å; L324-K448 HydrophobicContact CD1-CB 3.73Å; L325-K448 PolarHBondContact N-O 3.41Å; F446-K448 VanDerWaalsContact C-N 3.32Å; F446-K448 PolarHBondContact O-N 3.01Å; K448-F560 HydrophobicContact CD-CE2 4.43Å; K448-F560 HydrophobicContact CD-CZ 4.17Å
449	R	95.7	Very high	93.7	Very high	48 Å²	48	46.7 Å²	46.7	18%	0.181	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114	-179.8	-59.7	152.6	-165.6	151.8	6.7	108.5	L325 F327 R443 F446 Y557 S559	L325-R449 HydrophobicContact CB-CB 4.34Å; L325-R449 HydrophobicContact CB-CG 3.98Å; L325-R449 HydrophobicContact CD2-CG 4.1Å; L325-R449 CarbonylContact O-C 3.59Å; L325-R449 WeakPolarHBondContact O-CA 3.42Å; F327-R449 HydrophobicContact CD1-CB 4.49Å; F327-R449 HydrophobicContact CE1-CB 4.12Å; R443-R449 PolarHBondContact O-NE 2.91Å; R443-R449 PolarHBondContact O-NH2 3.24Å; F446-R449 HydrophobicContact CB-CG 4.16Å; F446-R449 PolarHBondContact O-NE 3.07Å; F446-R449 PolarHBondContact O-NH2 3.36Å; R449-Y557 WeakPolarHBondContact CD-O 3.39Å; R449-Y557 PolarHBondContact NH1-O 3.03Å; R449-S559 PolarHBondContact N-OG 2.98Å; R449-S559 WeakPolarHBondContact O-CB 3.49Å; R449-S559 PolarHBondContact O-N 3.25Å
450	L	95.9	Very high	94.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.6	-173.5	-177	64.1	0	0	0	109.9	T299 L300 L325 L326 F327 I452 F560	T299-L450 HydrophobicContact CG2-CD1 4.49Å; L300-L450 HydrophobicContact CD1-CD2 3.84Å; L300-L450 HydrophobicContact CD2-CD2 3.67Å; L300-L450 HydrophobicContact CG-CD2 3.63Å; L325-L450 PolarHBondContact O-N 3.34Å; L326-L450 HydrophobicContact CD2-CB 4.09Å; L326-L450 HydrophobicContact CD2-CD2 3.98Å; L326-L450 HydrophobicContact CD2-CG 4.47Å; F327-L450 WeakPolarHBondContact CD1-O 3.44Å; F327-L450 VanDerWaalsContact CE1-C 3.45Å; F327-L450 PolarHBondContact N-O 3.5Å; F327-L450 VanDerWaalsContact N-O 3.1Å; L450-I452 HydrophobicContact CD2-CD1 3.92Å; L450-I452 HydrophobicContact CG-CD1 3.89Å; L450-F560 HydrophobicContact CD1-CD2 3.8Å; L450-F560 HydrophobicContact CD1-CE2 4.26Å
451	Y	96.5	Very high	94.4	Very high	8 Å²	8	41.9 Å²	41.9	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130	172.2	178.6	-133.9	0	0	0	110.1	F327 P453 Y550 L551 N554 V562	F327-Y451 AromaticContact CD2-CD2 3.98Å; F327-Y451 HydrophobicContact CD2-CD2 3.98Å; F327-Y451 AromaticContact CE2-CD2 3.64Å; F327-Y451 HydrophobicContact CE2-CD2 3.64Å; F327-Y451 HydrophobicContact CE2-CG 4.04Å; F327-Y451 VanDerWaalsContact CZ-CB 3.5Å; F327-Y451 HydrophobicContact CZ-CD2 4.24Å; F327-Y451 HydrophobicContact CZ-CG 4.22Å; F327-Y451 CarbonylContact O-C 3.55Å; F327-Y451 WeakPolarHBondContact O-CA 3.4Å; Y451-P453 HydrophobicContact CD1-CB 4.38Å; Y451-P453 HydrophobicContact CE1-CB 3.74Å; Y451-P453 WeakPolarHBondContact O-CD 3.39Å; Y451-Y550 HydrophobicContact CE2-CD1 4.47Å; Y451-Y550 HydrophobicContact CE2-CG 4.11Å; Y451-L551 HydrophobicContact CE1-CD2 3.8Å; Y451-N554 WeakPolarHBondContact CB-OD1 3.18Å; Y451-N554 HydrophobicContact CG-CB 4.42Å; Y451-V562 HydrophobicContact CD1-CB 4.03Å; Y451-V562 HydrophobicContact CD1-CG1 4.16Å; Y451-V562 HydrophobicContact CD1-CG2 3.69Å; Y451-V562 HydrophobicContact CE1-CG1 4.41Å; Y451-V562 HydrophobicContact CG-CG2 4.39Å
452	I	96.2	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.			trans	-109.6	97.2	175.5	-53.1	-57.1	0	0	0	108.3	L293 L326 F327 K334 I337 L450	L293-I452 HydrophobicContact CD1-CG2 3.83Å; L293-I452 HydrophobicContact CD2-CG2 4.31Å; L326-I452 HydrophobicContact CD2-CD1 4.48Å; F327-I452 PolarHBondContact O-N 3.4Å; K334-I452 HydrophobicContact CG-CB 4.36Å; K334-I452 HydrophobicContact CG-CG1 4.25Å; I337-I452 HydrophobicContact CD1-CD1 3.79Å; I337-I452 HydrophobicContact CD1-CG1 4.11Å; I337-I452 HydrophobicContact CD1-CG2 4.04Å; L450-I452 HydrophobicContact CD2-CD1 3.92Å; L450-I452 HydrophobicContact CG-CD1 3.89Å
453	P	94.8	Very high	95	Very high	28 Å²	28	44 Å²	44	18%	0.182	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-73	172.8	-176.5	31	-37.6	0	0	0	112.8	L293 T332 Y451 V562	L293-P453 HydrophobicContact CD2-CG 3.87Å; T332-P453 WeakPolarHBondContact CG2-O 3.4Å; Y451-P453 HydrophobicContact CD1-CB 4.38Å; Y451-P453 HydrophobicContact CE1-CB 3.74Å; Y451-P453 WeakPolarHBondContact O-CD 3.39Å; P453-V562 HydrophobicContact CB-CG1 4.44Å; P453-V562 HydrophobicContact CG-CG1 4.1Å
454	L	95.1	Very high	95.2	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.131	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-60.3	150	165.9	-69	178.9	0	0	0	111.2	P329 T332 T456 G489 N542 L547	P329-L454 HydrophobicContact CB-CD2 4.24Å; P329-L454 HydrophobicContact CG-CD2 3.89Å; P329-L454 HydrophobicContact CG-CG 4Å; T332-L454 HydrophobicContact CG2-CD2 4.07Å; L454-T456 PolarHBondContact O-N 3.23Å; L454-G489 WeakPolarHBondContact CD1-O 3.29Å; L454-N542 HydrophobicContact CD1-CB 4.5Å; L454-L547 HydrophobicContact CD1-CD1 3.68Å; L454-L547 HydrophobicContact CD1-CD2 3.64Å; L454-L547 HydrophobicContact CD1-CG 4.26Å; L454-L547 HydrophobicContact CG-CD2 3.91Å
455	P	95.5	Very high	95.4	Very high	15 Å²	15	37.1 Å²	37.1	10%	0.097	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-63.5	134.2	-178.7	26.4	-35.2	0	0	0	111.9	A459 R460 I463 Y490	P455-A459 HydrophobicContact CB-CB 3.74Å; P455-R460 HydrophobicContact CB-CG 3.9Å; P455-R460 HydrophobicContact CG-CG 3.77Å; P455-R460 PolarHBondContact O-NH1 2.93Å; P455-I463 HydrophobicContact CB-CD1 3.97Å; P455-I463 HydrophobicContact CG-CD1 4.18Å; P455-Y490 VanDerWaalsContact CD-O 3.3Å; P455-Y490 WeakPolarHBondContact CD-O 3.29Å; P455-Y490 VanDerWaalsContact CG-O 3.22Å; P455-Y490 WeakPolarHBondContact CG-O 3.23Å
456	T	95.2	Very high	95.4	Very high	90 Å²	90	38.4 Å²	38.4	55%	0.552	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-64.6	168.1	170.6	64.2	0	0	0	0	111.3	L454 S458 A459 R460	L454-T456 PolarHBondContact O-N 3.23Å; T456-S458 VanDerWaalsContact C-N 3.29Å; T456-S458 PolarHBondContact O-N 3.2Å; T456-A459 WeakPolarHBondContact O-CB 3.48Å; T456-A459 PolarHBondContact O-N 3.15Å; T456-A459 PolarHBondContact OG1-N 2.94Å; T456-R460 WeakPolarHBondContact O-CG 3.26Å; T456-R460 PolarHBondContact O-N 2.91Å
457	R	96.1	Very high	95.4	Very high	103 Å²	103	41.9 Å²	41.9	39%	0.389	21%	0.209	S	C	.	.	H	α-helix	trans	-49.2	-48.8	176.2	-172.9	-166.9	-177.8	-124.8	1.6	112.7	R460 K461 W481 A484 D485	R457-R460 PolarHBondContact O-N 3.46Å; R457-K461 PolarHBondContact O-N 3.49Å; R457-K461 VanDerWaalsContact O-N 3.16Å; R457-W481 HydrophobicContact CG-CE3 4.28Å; R457-W481 HydrophobicContact CG-CZ3 4.06Å; R457-W481 VanDerWaalsContact NH1-CE3 3.29Å; R457-A484 HydrophobicContact CG-CB 4.32Å; R457-D485 WeakPolarHBondContact CD-OD1 3.43Å; R457-D485 IonicContact CZ-OD1 3Å; R457-D485 IonicContact CZ-OD2 3.87Å; R457-D485 IonicContact NE-OD1 2.84Å; R457-D485 PolarHBondContact NE-OD1 3.38Å; R457-D485 IonicContact NE-OD2 3.3Å; R457-D485 PolarHBondContact NE-OD2 2.96Å; R457-D485 IonicContact NH2-OD1 3.67Å; R457-D485 IonicContact NH2-OD2 3.83Å; R457-D485 PolarHBondContact NH2-OD2 2.63Å
458	S	96.2	Very high	95.5	Very high	57 Å²	57	37.6 Å²	37.6	40%	0.399	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-41.6	178.2	-174.3	0	0	0	0	112	T456 R460 K461 Q462	T456-S458 VanDerWaalsContact C-N 3.29Å; T456-S458 PolarHBondContact O-N 3.2Å; S458-R460 PolarHBondContact O-N 3.21Å; S458-K461 WeakPolarHBondContact O-CB 3.41Å; S458-K461 PolarHBondContact O-N 3.16Å; S458-Q462 WeakPolarHBondContact O-CG 3.4Å; S458-Q462 PolarHBondContact O-N 2.86Å
459	A	96.5	Very high	95.3	Very high	1 Å²	1	44 Å²	44	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-40.5	176.7	0	0	0	0	0	112	A291 P455 T456 K461 Q462 I463	A291-A459 HydrophobicContact CB-CB 4.41Å; P455-A459 HydrophobicContact CB-CB 3.74Å; T456-A459 WeakPolarHBondContact O-CB 3.48Å; T456-A459 PolarHBondContact O-N 3.15Å; T456-A459 PolarHBondContact OG1-N 2.94Å; A459-K461 PolarHBondContact O-N 3.32Å; A459-Q462 WeakPolarHBondContact O-CB 3.44Å; A459-Q462 PolarHBondContact O-N 3.46Å; A459-I463 VanDerWaalsContact O-CG1 3.26Å; A459-I463 WeakPolarHBondContact O-CG1 3.42Å; A459-I463 PolarHBondContact O-N 3.41Å
460	R	97.5	Very high	94.8	Very high	17 Å²	17	50.2 Å²	50.2	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.4	-70	-170.5	-59.5	-99.9	13.7	112	P455 T456 R457 S458 Q462 I463 V464 A484 A487 M495	P455-R460 HydrophobicContact CB-CG 3.9Å; P455-R460 HydrophobicContact CG-CG 3.77Å; P455-R460 PolarHBondContact O-NH1 2.93Å; T456-R460 WeakPolarHBondContact O-CG 3.26Å; T456-R460 PolarHBondContact O-N 2.91Å; R457-R460 PolarHBondContact O-N 3.46Å; S458-R460 PolarHBondContact O-N 3.21Å; R460-Q462 PolarHBondContact O-N 3.04Å; R460-I463 PolarHBondContact O-N 3.09Å; R460-V464 WeakPolarHBondContact O-CG2 3.27Å; R460-V464 PolarHBondContact O-N 3.19Å; R460-A484 HydrophobicContact CB-CB 4.19Å; R460-A484 PolarHBondContact NE-O 3.34Å; R460-A484 PolarHBondContact NH2-O 3.04Å; R460-A487 WeakPolarHBondContact CD-O 3.27Å; R460-A487 PolarHBondContact NE-O 3.05Å; R460-M495 HydrophobicContact CB-CE 4.02Å; R460-M495 HydrophobicContact CB-SD 4.32Å; R460-M495 HydrophobicContact CG-CE 4.48Å; R460-M495 HydrophobicContact CG-CG 4.34Å; R460-M495 HydrophobicContact CG-SD 4.13Å
461	K	96.8	Very high	94.4	Very high	17 Å²	17	53.7 Å²	53.7	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-54.7	-50.7	172.2	171.8	-179.5	178.7	-176	0	111.2	R457 S458 A459 I463 V464 Q465 E477 F480 W481 A484	R457-K461 PolarHBondContact O-N 3.49Å; R457-K461 VanDerWaalsContact O-N 3.16Å; S458-K461 WeakPolarHBondContact O-CB 3.41Å; S458-K461 PolarHBondContact O-N 3.16Å; A459-K461 PolarHBondContact O-N 3.32Å; K461-I463 VanDerWaalsContact C-N 3.29Å; K461-I463 PolarHBondContact O-N 2.98Å; K461-V464 PolarHBondContact O-N 3.46Å; K461-Q465 VanDerWaalsContact CE-NE2 3.33Å; K461-Q465 HydrophobicContact CG-CG 4.37Å; K461-Q465 WeakPolarHBondContact O-CG 3.23Å; K461-Q465 PolarHBondContact O-N 3.42Å; K461-E477 IonicContact NZ-OE1 3.08Å; K461-E477 PolarHBondContact NZ-OE1 3.36Å; K461-F480 HydrophobicContact CG-CB 4.1Å; K461-W481 HydrophobicContact CB-CE3 4.41Å; K461-W481 HydrophobicContact CB-CZ3 4.28Å; K461-W481 HydrophobicContact CD-CD2 3.78Å; K461-W481 HydrophobicContact CD-CE3 3.95Å; K461-W481 HydrophobicContact CD-CG 4.49Å; K461-W481 HydrophobicContact CD-CH2 3.73Å; K461-W481 HydrophobicContact CD-CZ2 3.54Å; K461-W481 HydrophobicContact CD-CZ3 3.93Å; K461-W481 VanDerWaalsContact NZ-CE2 3.32Å; K461-W481 VanDerWaalsContact NZ-NE1 3.18Å; K461-A484 HydrophobicContact CB-CB 4.22Å
462	Q	95.8	Very high	94	Very high	49 Å²	49	59.8 Å²	59.8	23%	0.229	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-41.1	179.3	-69.5	173.5	8	0	0	112	A291 S458 A459 R460 R466	A291-Q462 HydrophobicContact CB-CB 3.98Å; S458-Q462 WeakPolarHBondContact O-CG 3.4Å; S458-Q462 PolarHBondContact O-N 2.86Å; A459-Q462 WeakPolarHBondContact O-CB 3.44Å; A459-Q462 PolarHBondContact O-N 3.46Å; R460-Q462 PolarHBondContact O-N 3.04Å; Q462-R466 WeakPolarHBondContact O-CB 3.44Å; Q462-R466 VanDerWaalsContact O-CG 3.23Å; Q462-R466 WeakPolarHBondContact O-CG 3.34Å; Q462-R466 PolarHBondContact O-N 2.9Å
463	I	96.5	Very high	93.9	Very high	26 Å²	26	62.3 Å²	62.3	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-49.8	177.7	-66.7	163.9	0	0	0	110.5	A291 P455 A459 R460 K461 Q465 R466 L467 M495	A291-I463 HydrophobicContact CB-CD1 4.11Å; A291-I463 HydrophobicContact CB-CG1 3.45Å; A291-I463 VanDerWaalsContact CB-CG1 3.45Å; P455-I463 HydrophobicContact CB-CD1 3.97Å; P455-I463 HydrophobicContact CG-CD1 4.18Å; A459-I463 VanDerWaalsContact O-CG1 3.26Å; A459-I463 WeakPolarHBondContact O-CG1 3.42Å; A459-I463 PolarHBondContact O-N 3.41Å; R460-I463 PolarHBondContact O-N 3.09Å; K461-I463 VanDerWaalsContact C-N 3.29Å; K461-I463 PolarHBondContact O-N 2.98Å; I463-Q465 PolarHBondContact O-N 3.42Å; I463-R466 PolarHBondContact O-N 2.86Å; I463-L467 HydrophobicContact CG2-CD1 3.63Å; I463-L467 HydrophobicContact CG2-CG 4.27Å; I463-L467 WeakPolarHBondContact O-CB 3.32Å; I463-L467 VanDerWaalsContact O-CG 3.28Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 3.26Å; I463-M495 HydrophobicContact CB-CB 4.48Å; I463-M495 HydrophobicContact CD1-CG 4.49Å; I463-M495 HydrophobicContact CG2-CB 3.66Å; I463-M495 HydrophobicContact CG2-CG 4.41Å
464	V	96.6	Very high	93.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-47.4	179.9	-179.7	0	0	0	0	110.9	R460 K461 R466 L467 L468 F480 I483 M495 F531	R460-V464 WeakPolarHBondContact O-CG2 3.27Å; R460-V464 PolarHBondContact O-N 3.19Å; K461-V464 PolarHBondContact O-N 3.46Å; V464-R466 VanDerWaalsContact C-N 3.29Å; V464-R466 PolarHBondContact O-N 3Å; V464-L467 PolarHBondContact O-N 3.33Å; V464-L468 HydrophobicContact CG1-CD1 3.87Å; V464-L468 HydrophobicContact CG1-CG 4.34Å; V464-L468 WeakPolarHBondContact O-CB 3.41Å; V464-L468 WeakPolarHBondContact O-CG 3.49Å; V464-L468 PolarHBondContact O-N 3.15Å; V464-F480 HydrophobicContact CB-CD1 4.24Å; V464-F480 HydrophobicContact CG1-CD1 3.75Å; V464-F480 HydrophobicContact CG1-CE1 3.89Å; V464-I483 HydrophobicContact CG2-CG2 3.99Å; V464-M495 HydrophobicContact CG2-CE 3.19Å; V464-F531 HydrophobicContact CG1-CE1 4.27Å; V464-F531 HydrophobicContact CG1-CZ 4.09Å
465	Q	95.4	Very high	93.8	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-40.5	178.8	-73.3	-178.6	-39.8	0	0	112.2	K461 I463 R469 F480	K461-Q465 VanDerWaalsContact CE-NE2 3.33Å; K461-Q465 HydrophobicContact CG-CG 4.37Å; K461-Q465 WeakPolarHBondContact O-CG 3.23Å; K461-Q465 PolarHBondContact O-N 3.42Å; I463-Q465 PolarHBondContact O-N 3.42Å; Q465-R469 PolarHBondContact O-N 3.42Å; Q465-F480 HydrophobicContact CB-CE1 4.38Å; Q465-F480 HydrophobicContact CG-CD1 3.58Å; Q465-F480 HydrophobicContact CG-CD2 4.13Å; Q465-F480 HydrophobicContact CG-CE1 3.61Å; Q465-F480 HydrophobicContact CG-CE2 4.19Å; Q465-F480 HydrophobicContact CG-CG 3.86Å; Q465-F480 HydrophobicContact CG-CZ 3.93Å
466	R	93.2	Very high	93.7	Very high	90 Å²	90	69.6 Å²	69.6	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-69.9	-45.5	178.7	-73.1	172.8	-165.8	178.6	1.4	112.4	D288 D289 I290 Q462 I463 V464 L468 R469	D288-R466 PolarHBondContact O-NH1 3.11Å; D288-R466 PolarHBondContact O-NH2 3.39Å; D289-R466 PolarHBondContact O-NH1 2.94Å; I290-R466 PolarHBondContact O-NH1 3.24Å; Q462-R466 WeakPolarHBondContact O-CB 3.44Å; Q462-R466 VanDerWaalsContact O-CG 3.23Å; Q462-R466 WeakPolarHBondContact O-CG 3.34Å; Q462-R466 PolarHBondContact O-N 2.9Å; I463-R466 PolarHBondContact O-N 2.86Å; V464-R466 VanDerWaalsContact C-N 3.29Å; V464-R466 PolarHBondContact O-N 3Å; R466-L468 VanDerWaalsContact C-N 3.3Å; R466-L468 PolarHBondContact O-N 3.47Å; R466-R469 VanDerWaalsContact O-CB 3.27Å; R466-R469 WeakPolarHBondContact O-CB 3.4Å; R466-R469 PolarHBondContact O-N 2.88Å
467	L	93.8	Very high	93.7	Very high	72 Å²	72	71.2 Å²	71.2	38%	0.377	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-34.9	-179.2	-69.8	173	0	0	0	112.1	I463 V464 R469 N471 A496 C499	I463-L467 HydrophobicContact CG2-CD1 3.63Å; I463-L467 HydrophobicContact CG2-CG 4.27Å; I463-L467 WeakPolarHBondContact O-CB 3.32Å; I463-L467 VanDerWaalsContact O-CG 3.28Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 3.26Å; V464-L467 PolarHBondContact O-N 3.33Å; L467-R469 VanDerWaalsContact C-N 3.34Å; L467-N471 PolarHBondContact O-ND2 2.93Å; L467-A496 HydrophobicContact CD1-CB 4Å; L467-C499 HydrophobicContact CB-CB 4.19Å; L467-C499 HydrophobicContact CD1-CB 4.04Å
468	L	92.7	Very high	93.7	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-80.9	-9.8	176.1	-70.5	-176.8	0	0	0	113.8	V464 R466 Q470 N471 L475 F480 F531	V464-L468 HydrophobicContact CG1-CD1 3.87Å; V464-L468 HydrophobicContact CG1-CG 4.34Å; V464-L468 WeakPolarHBondContact O-CB 3.41Å; V464-L468 WeakPolarHBondContact O-CG 3.49Å; V464-L468 PolarHBondContact O-N 3.15Å; R466-L468 VanDerWaalsContact C-N 3.3Å; R466-L468 PolarHBondContact O-N 3.47Å; L468-Q470 PolarHBondContact O-N 3Å; L468-N471 HydrophobicContact CD2-CB 4.31Å; L468-N471 PolarHBondContact O-N 3.02Å; L468-L475 HydrophobicContact CD1-CD1 3.44Å; L468-L475 VanDerWaalsContact CD1-CD1 3.44Å; L468-F480 HydrophobicContact CD1-CE1 4.07Å; L468-F531 HydrophobicContact CD1-CE2 3.84Å; L468-F531 HydrophobicContact CD1-CZ 3.77Å; L468-F531 HydrophobicContact CD2-CZ 4.31Å; L468-F531 HydrophobicContact CG-CZ 4.34Å
469	R	89.9	Confident	93.7	Very high	204 Å²	204	70.9 Å²	70.9	77%	0.77	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.3	-177.9	-164.7	178.4	78.3	178.2	2.5	113.6	Q465 R466 L467	Q465-R469 PolarHBondContact O-N 3.42Å; R466-R469 VanDerWaalsContact O-CB 3.27Å; R466-R469 WeakPolarHBondContact O-CB 3.4Å; R466-R469 PolarHBondContact O-N 2.88Å; L467-R469 VanDerWaalsContact C-N 3.34Å
470	Q	84.6	Confident	93.7	Very high	178 Å²	178	71.4 Å²	71.4	83%	0.832	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.7	178.7	-66.4	-179.3	-9.9	0	0	113.6	L468	L468-Q470 PolarHBondContact O-N 3Å
471	N	87	Confident	93.7	Very high	74 Å²	74	73.9 Å²	73.9	40%	0.396	34%	0.339	S	S	.	.	S	Bend	trans	-112.9	142.9	-176.4	-67.7	-81.1	0	0	0	110.2	L467 L468 H473	L467-N471 PolarHBondContact O-ND2 2.93Å; L468-N471 HydrophobicContact CD2-CB 4.31Å; L468-N471 PolarHBondContact O-N 3.02Å; N471-H473 PolarHBondContact O-CD2 3.22Å; N471-H473 PolarHBondContact O-N 3.46Å
472	H	89.1	Confident	93.7	Very high	136 Å²	136	75.4 Å²	75.4	63%	0.63	35%	0.347	S	S	*	.			trans	-72.4	122	172.8	-174.3	52.1	0	0	0	109.9	P525 V526	H472-P525 WeakPolarHBondContact CD2-CB 3.4Å; H472-P525 WeakPolarHBondContact O-CA 3.46Å; H472-V526 PolarHBondContact O-N 2.94Å
473	H	93.7	Very high	93.8	Very high	54 Å²	54	73.1 Å²	73.1	25%	0.25	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-143.9	155.6	-179.1	69.6	78.5	0	0	0	111.6	N471 L475 F480 V526	N471-H473 PolarHBondContact O-CD2 3.22Å; N471-H473 PolarHBondContact O-N 3.46Å; H473-L475 HydrophobicContact CB-CG 4.48Å; H473-L475 PolarHBondContact ND1-N 2.65Å; H473-F480 AromaticContact CE1-CZ 3.69Å; H473-V526 VanDerWaalsContact CA-O 3.32Å; H473-V526 WeakPolarHBondContact CA-O 3.36Å; H473-V526 HydrophobicContact CB-CB 4.09Å; H473-V526 WeakPolarHBondContact CB-O 3.5Å
474	T	93.5	Very high	93.8	Very high	78 Å²	78	71.9 Å²	71.9	48%	0.479	33%	0.33	S	S	.	.			trans	-106.3	4.8	178	48	0	0	0	0	113.5	P525 V526 E527	T474-P525 HydrophobicContact CG2-CB 3.76Å; T474-P525 HydrophobicContact CG2-CG 3.4Å; T474-P525 VanDerWaalsContact CG2-CG 3.4Å; T474-V526 PolarHBondContact N-O 2.78Å; T474-V526 VanDerWaalsContact N-O 3.08Å; T474-V526 PolarHBondContact OG1-O 3.27Å; T474-E527 WeakPolarHBondContact OG1-CG 3.38Å
475	L	94.2	Very high	93.9	Very high	14 Å²	14	75.5 Å²	75.5	7%	0.073	35%	0.35	C	S	.	.			trans	-60.2	133.4	-178.9	-58.3	177.4	0	0	0	113.1	L468 H473 D479 F480 I483 L528 F531	L468-L475 HydrophobicContact CD1-CD1 3.44Å; L468-L475 VanDerWaalsContact CD1-CD1 3.44Å; H473-L475 HydrophobicContact CB-CG 4.48Å; H473-L475 PolarHBondContact ND1-N 2.65Å; L475-D479 WeakPolarHBondContact CA-OD2 3.42Å; L475-D479 HydrophobicContact CB-CB 4.2Å; L475-D479 HydrophobicContact CD2-CB 3.95Å; L475-F480 HydrophobicContact CB-CE1 4.48Å; L475-F480 HydrophobicContact CB-CE2 4.05Å; L475-F480 HydrophobicContact CB-CZ 3.99Å; L475-F480 HydrophobicContact CD1-CE1 4.06Å; L475-F480 HydrophobicContact CD1-CZ 4.3Å; L475-I483 HydrophobicContact CD1-CD1 3.94Å; L475-L528 HydrophobicContact CD2-CB 3.83Å; L475-L528 VanDerWaalsContact CD2-N 3.29Å; L475-F531 HydrophobicContact CD1-CD2 4.11Å; L475-F531 HydrophobicContact CD1-CE2 3.72Å
476	K	94.4	Very high	93.9	Very high	128 Å²	128	78.1 Å²	78.1	56%	0.557	36%	0.357	S	S	*	.			trans	-91.5	171.8	171.9	-63	174.8	-177.5	174.6	0	111.6	E478 D479 F480	K476-E478 VanDerWaalsContact C-N 3.28Å; K476-E478 HydrophobicContact CB-CG 3.9Å; K476-E478 HydrophobicContact CD-CG 4.35Å; K476-E478 WeakPolarHBondContact CD-OE1 3.4Å; K476-E478 IonicContact NZ-OE1 3.48Å; K476-E478 PolarHBondContact NZ-OE1 3.44Å; K476-E478 PolarHBondContact O-N 3.14Å; K476-D479 PolarHBondContact N-OD2 3.45Å; K476-D479 WeakPolarHBondContact O-CB 3.47Å; K476-D479 PolarHBondContact O-N 2.85Å; K476-D479 VanDerWaalsContact O-N 3.12Å; K476-F480 WeakPolarHBondContact O-CD2 3.48Å; K476-F480 PolarHBondContact O-N 3.44Å
477	E	94	Very high	94	Very high	124 Å²	124	73.9 Å²	73.9	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-57.9	-38.9	177.8	-175.9	162.9	-160	0	0	113.5	K461 D479 F480 W481	K461-E477 IonicContact NZ-OE1 3.08Å; K461-E477 PolarHBondContact NZ-OE1 3.36Å; E477-D479 VanDerWaalsContact C-N 3.35Å; E477-F480 PolarHBondContact O-N 3.41Å; E477-W481 VanDerWaalsContact O-CD1 3.23Å; E477-W481 PolarHBondContact O-N 2.94Å
478	E	95.7	Very high	94	Very high	122 Å²	122	76.2 Å²	76.2	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-40	175.3	56.4	-166	178	0	0	112.5	K476 F480 W481 D482	K476-E478 VanDerWaalsContact C-N 3.28Å; K476-E478 HydrophobicContact CB-CG 3.9Å; K476-E478 HydrophobicContact CD-CG 4.35Å; K476-E478 WeakPolarHBondContact CD-OE1 3.4Å; K476-E478 IonicContact NZ-OE1 3.48Å; K476-E478 PolarHBondContact NZ-OE1 3.44Å; K476-E478 PolarHBondContact O-N 3.14Å; E478-F480 PolarHBondContact O-N 2.88Å; E478-W481 WeakPolarHBondContact O-CB 3.42Å; E478-W481 PolarHBondContact O-N 3.42Å; E478-W481 VanDerWaalsContact O-N 3.15Å; E478-D482 PolarHBondContact O-N 2.95Å
479	D	96.5	Very high	94	Very high	31 Å²	31	77.2 Å²	77.2	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-65.5	-39.8	179.4	-56.9	-32.9	0	0	0	111.5	L475 K476 E477 W481 D482 I483 L528	L475-D479 WeakPolarHBondContact CA-OD2 3.42Å; L475-D479 HydrophobicContact CB-CB 4.2Å; L475-D479 HydrophobicContact CD2-CB 3.95Å; K476-D479 PolarHBondContact N-OD2 3.45Å; K476-D479 WeakPolarHBondContact O-CB 3.47Å; K476-D479 PolarHBondContact O-N 2.85Å; K476-D479 VanDerWaalsContact O-N 3.12Å; E477-D479 VanDerWaalsContact C-N 3.35Å; D479-W481 PolarHBondContact O-N 2.89Å; D479-D482 PolarHBondContact O-N 2.83Å; D479-I483 VanDerWaalsContact O-CG1 3.26Å; D479-I483 WeakPolarHBondContact O-CG1 3.25Å; D479-I483 PolarHBondContact O-N 3.45Å; D479-L528 HydrophobicContact CB-CD1 4.21Å; D479-L528 HydrophobicContact CB-CD2 4.36Å
480	F	97.2	Very high	94.3	Very high	13 Å²	13	68.2 Å²	68.2	6%	0.057	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-33.6	175.6	-69.7	-72.9	0	0	0	112.4	K461 V464 Q465 L468 H473 L475 K476 E477 E478 A484	K461-F480 HydrophobicContact CG-CB 4.1Å; V464-F480 HydrophobicContact CB-CD1 4.24Å; V464-F480 HydrophobicContact CG1-CD1 3.75Å; V464-F480 HydrophobicContact CG1-CE1 3.89Å; Q465-F480 HydrophobicContact CB-CE1 4.38Å; Q465-F480 HydrophobicContact CG-CD1 3.58Å; Q465-F480 HydrophobicContact CG-CD2 4.13Å; Q465-F480 HydrophobicContact CG-CE1 3.61Å; Q465-F480 HydrophobicContact CG-CE2 4.19Å; Q465-F480 HydrophobicContact CG-CG 3.86Å; Q465-F480 HydrophobicContact CG-CZ 3.93Å; L468-F480 HydrophobicContact CD1-CE1 4.07Å; H473-F480 AromaticContact CE1-CZ 3.69Å; L475-F480 HydrophobicContact CB-CE1 4.48Å; L475-F480 HydrophobicContact CB-CE2 4.05Å; L475-F480 HydrophobicContact CB-CZ 3.99Å; L475-F480 HydrophobicContact CD1-CE1 4.06Å; L475-F480 HydrophobicContact CD1-CZ 4.3Å; K476-F480 WeakPolarHBondContact O-CD2 3.48Å; K476-F480 PolarHBondContact O-N 3.44Å; E477-F480 PolarHBondContact O-N 3.41Å; E478-F480 PolarHBondContact O-N 2.88Å; F480-A484 WeakPolarHBondContact O-CB 3.32Å; F480-A484 PolarHBondContact O-N 3.22Å
481	W	97.5	Very high	94.8	Very high	69 Å²	69	59.8 Å²	59.8	26%	0.261	29%	0.291	S	S	.	.	H	α-helix	trans	-71.4	-42.5	174.8	-74.2	121	0	0	0	111.9	R457 K461 E477 E478 D479 I483 A484 D485	R457-W481 HydrophobicContact CG-CE3 4.28Å; R457-W481 HydrophobicContact CG-CZ3 4.06Å; R457-W481 VanDerWaalsContact NH1-CE3 3.29Å; K461-W481 HydrophobicContact CB-CE3 4.41Å; K461-W481 HydrophobicContact CB-CZ3 4.28Å; K461-W481 HydrophobicContact CD-CD2 3.78Å; K461-W481 HydrophobicContact CD-CE3 3.95Å; K461-W481 HydrophobicContact CD-CG 4.49Å; K461-W481 HydrophobicContact CD-CH2 3.73Å; K461-W481 HydrophobicContact CD-CZ2 3.54Å; K461-W481 HydrophobicContact CD-CZ3 3.93Å; K461-W481 VanDerWaalsContact NZ-CE2 3.32Å; K461-W481 VanDerWaalsContact NZ-NE1 3.18Å; E477-W481 VanDerWaalsContact O-CD1 3.23Å; E477-W481 PolarHBondContact O-N 2.94Å; E478-W481 WeakPolarHBondContact O-CB 3.42Å; E478-W481 PolarHBondContact O-N 3.42Å; E478-W481 VanDerWaalsContact O-N 3.15Å; D479-W481 PolarHBondContact O-N 2.89Å; W481-I483 VanDerWaalsContact C-N 3.33Å; W481-I483 PolarHBondContact O-N 3.19Å; W481-A484 PolarHBondContact O-N 2.86Å; W481-A484 VanDerWaalsContact O-N 3.14Å; W481-D485 PolarHBondContact O-N 3.19Å
482	D	97.2	Very high	95.2	Very high	48 Å²	48	57.1 Å²	57.1	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-44.3	174.3	-176.5	30.3	0	0	0	111.3	E478 D479 A484 D485 R486 H532	E478-D482 PolarHBondContact O-N 2.95Å; D479-D482 PolarHBondContact O-N 2.83Å; D482-A484 PolarHBondContact O-N 3.08Å; D482-D485 PolarHBondContact O-N 3.1Å; D482-R486 WeakPolarHBondContact O-CG 3.08Å; D482-R486 PolarHBondContact O-N 3.23Å; D482-R486 IonicContact OD1-CZ 3.28Å; D482-R486 IonicContact OD1-NE 2.64Å; D482-R486 PolarHBondContact OD1-NE 3.39Å; D482-R486 IonicContact OD1-NH2 2.98Å; D482-R486 IonicContact OD2-CZ 3.37Å; D482-R486 IonicContact OD2-NE 3.58Å; D482-R486 PolarHBondContact OD2-NE 2.71Å; D482-R486 IonicContact OD2-NH2 3.61Å; D482-R486 PolarHBondContact OD2-NH2 2.99Å; D482-H532 IonicContact OD2-CE1 3.8Å; D482-H532 PolarHBondContact OD2-CE1 3.4Å
483	I	97.7	Very high	95.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-45.5	174.9	-64.5	162.9	0	0	0	110.7	V464 L475 D479 W481 D485 R486 A487 L498 L528 F531 F535	V464-I483 HydrophobicContact CG2-CG2 3.99Å; L475-I483 HydrophobicContact CD1-CD1 3.94Å; D479-I483 VanDerWaalsContact O-CG1 3.26Å; D479-I483 WeakPolarHBondContact O-CG1 3.25Å; D479-I483 PolarHBondContact O-N 3.45Å; W481-I483 VanDerWaalsContact C-N 3.33Å; W481-I483 PolarHBondContact O-N 3.19Å; I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 3.05Å; I483-R486 PolarHBondContact O-N 3.43Å; I483-A487 VanDerWaalsContact O-CB 3.25Å; I483-A487 WeakPolarHBondContact O-CB 3.35Å; I483-A487 PolarHBondContact O-N 3.06Å; I483-L498 HydrophobicContact CG2-CD2 4.2Å; I483-L528 HydrophobicContact CD1-CD1 4.03Å; I483-L528 HydrophobicContact CG1-CD1 3.78Å; I483-F531 HydrophobicContact CD1-CB 4.14Å; I483-F531 HydrophobicContact CD1-CD1 3.83Å; I483-F531 HydrophobicContact CD1-CD2 3.78Å; I483-F531 HydrophobicContact CD1-CE1 4.18Å; I483-F531 HydrophobicContact CD1-CE2 4.15Å; I483-F531 HydrophobicContact CD1-CG 3.62Å; I483-F531 HydrophobicContact CD1-CZ 4.34Å; I483-F531 HydrophobicContact CG1-CB 4.12Å; I483-F531 HydrophobicContact CG1-CD1 4.1Å; I483-F531 HydrophobicContact CG1-CG 4.03Å; I483-F531 HydrophobicContact CG2-CD1 3.94Å; I483-F531 HydrophobicContact CG2-CE1 4.22Å; I483-F535 HydrophobicContact CG2-CE2 4.27Å; I483-F535 HydrophobicContact CG2-CZ 4.05Å; I483-F535 WeakPolarHBondContact O-CZ 3.32Å
484	A	97	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-32.7	-179.4	0	0	0	0	0	113.3	R457 R460 K461 F480 W481 D482	R457-A484 HydrophobicContact CG-CB 4.32Å; R460-A484 HydrophobicContact CB-CB 4.19Å; R460-A484 PolarHBondContact NE-O 3.34Å; R460-A484 PolarHBondContact NH2-O 3.04Å; K461-A484 HydrophobicContact CB-CB 4.22Å; F480-A484 WeakPolarHBondContact O-CB 3.32Å; F480-A484 PolarHBondContact O-N 3.22Å; W481-A484 PolarHBondContact O-N 2.86Å; W481-A484 VanDerWaalsContact O-N 3.14Å; D482-A484 PolarHBondContact O-N 3.08Å
485	D	96.8	Very high	95.9	Very high	77 Å²	77	46.8 Å²	46.8	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-71.4	-45.5	176.7	-75.8	-33.8	0	0	0	111.8	R457 W481 D482 I483 A487 N488	R457-D485 WeakPolarHBondContact CD-OD1 3.43Å; R457-D485 IonicContact CZ-OD1 3Å; R457-D485 IonicContact CZ-OD2 3.87Å; R457-D485 IonicContact NE-OD1 2.84Å; R457-D485 PolarHBondContact NE-OD1 3.38Å; R457-D485 IonicContact NE-OD2 3.3Å; R457-D485 PolarHBondContact NE-OD2 2.96Å; R457-D485 IonicContact NH2-OD1 3.67Å; R457-D485 IonicContact NH2-OD2 3.83Å; R457-D485 PolarHBondContact NH2-OD2 2.63Å; W481-D485 PolarHBondContact O-N 3.19Å; D482-D485 PolarHBondContact O-N 3.1Å; I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 3.05Å; D485-A487 VanDerWaalsContact C-N 3.3Å; D485-A487 PolarHBondContact O-N 3.16Å; D485-N488 PolarHBondContact O-N 3.28Å
486	R	96.4	Very high	96	Very high	127 Å²	127	47.3 Å²	47.3	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-68.1	-29.3	176.9	-67.9	179.2	-171.9	-144.3	11.4	113.4	D482 I483 N488 H532 F535	D482-R486 WeakPolarHBondContact O-CG 3.08Å; D482-R486 PolarHBondContact O-N 3.23Å; D482-R486 IonicContact OD1-CZ 3.28Å; D482-R486 IonicContact OD1-NE 2.64Å; D482-R486 PolarHBondContact OD1-NE 3.39Å; D482-R486 IonicContact OD1-NH2 2.98Å; D482-R486 IonicContact OD2-CZ 3.37Å; D482-R486 IonicContact OD2-NE 3.58Å; D482-R486 PolarHBondContact OD2-NE 2.71Å; D482-R486 IonicContact OD2-NH2 3.61Å; D482-R486 PolarHBondContact OD2-NH2 2.99Å; I483-R486 PolarHBondContact O-N 3.43Å; R486-N488 PolarHBondContact O-N 3.15Å; R486-N488 VanDerWaalsContact O-N 3.15Å; R486-H532 PolarHBondContact NH1-CE1 3.5Å; R486-H532 VanDerWaalsContact NH1-CE1 3.26Å; R486-H532 PolarHBondContact NH1-ND1 3.04Å; R486-H532 PolarHBondContact NH2-CE1 3.49Å; R486-F535 HydrophobicContact CB-CD2 4.4Å; R486-F535 HydrophobicContact CB-CE1 4.03Å; R486-F535 HydrophobicContact CB-CE2 3.82Å; R486-F535 HydrophobicContact CB-CZ 3.6Å
487	A	95.7	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	29.3	178.4	0	0	0	0	0	113.8	R460 I483 D485 G489 Y490 M495 L498 F535	R460-A487 WeakPolarHBondContact CD-O 3.27Å; R460-A487 PolarHBondContact NE-O 3.05Å; I483-A487 VanDerWaalsContact O-CB 3.25Å; I483-A487 WeakPolarHBondContact O-CB 3.35Å; I483-A487 PolarHBondContact O-N 3.06Å; D485-A487 VanDerWaalsContact C-N 3.3Å; D485-A487 PolarHBondContact O-N 3.16Å; A487-G489 PolarHBondContact O-N 3.24Å; A487-Y490 VanDerWaalsContact C-CD2 3.43Å; A487-Y490 HydrophobicContact CB-CD1 4.31Å; A487-Y490 HydrophobicContact CB-CD2 4.03Å; A487-Y490 HydrophobicContact CB-CG 3.93Å; A487-Y490 WeakPolarHBondContact O-CB 3.28Å; A487-Y490 VanDerWaalsContact O-CD2 3.29Å; A487-Y490 WeakPolarHBondContact O-CD2 3.17Å; A487-Y490 PolarHBondContact O-N 3.41Å; A487-M495 HydrophobicContact CB-CE 3.99Å; A487-M495 HydrophobicContact CB-SD 3.48Å; A487-M495 WeakPolarHBondContact CB-SD 3.47Å; A487-L498 HydrophobicContact CB-CD2 4.45Å; A487-F535 HydrophobicContact CB-CE1 3.91Å; A487-F535 HydrophobicContact CB-CZ 4.04Å
488	N	93.4	Very high	96.3	Very high	121 Å²	121	38.6 Å²	38.6	65%	0.647	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	134.6	177.1	-165.7	36.4	0	0	0	111.5	D485 R486 Y490	D485-N488 PolarHBondContact O-N 3.28Å; R486-N488 PolarHBondContact O-N 3.15Å; R486-N488 VanDerWaalsContact O-N 3.15Å; N488-Y490 VanDerWaalsContact C-N 3.31Å; N488-Y490 PolarHBondContact O-N 3.26Å
489	G	92.3	Very high	96.3	Very high	23 Å²	23	33 Å²	33	24%	0.237	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-0.8	-175.7	0	0	0	0	0	115.7	L454 A487	L454-G489 WeakPolarHBondContact CD1-O 3.29Å; A487-G489 PolarHBondContact O-N 3.24Å
490	Y	96.3	Very high	96.3	Very high	15 Å²	15	38.6 Å²	38.6	6%	0.059	20%	0.199	C	C	.	.			trans	-75.8	135.6	178.6	-77.7	-126.5	0	0	0	110.8	P455 A487 N488 D494 M495 F535 V538 A540	P455-Y490 VanDerWaalsContact CD-O 3.3Å; P455-Y490 WeakPolarHBondContact CD-O 3.29Å; P455-Y490 VanDerWaalsContact CG-O 3.22Å; P455-Y490 WeakPolarHBondContact CG-O 3.23Å; A487-Y490 VanDerWaalsContact C-CD2 3.43Å; A487-Y490 HydrophobicContact CB-CD1 4.31Å; A487-Y490 HydrophobicContact CB-CD2 4.03Å; A487-Y490 HydrophobicContact CB-CG 3.93Å; A487-Y490 WeakPolarHBondContact O-CB 3.28Å; A487-Y490 VanDerWaalsContact O-CD2 3.29Å; A487-Y490 WeakPolarHBondContact O-CD2 3.17Å; A487-Y490 PolarHBondContact O-N 3.41Å; N488-Y490 VanDerWaalsContact C-N 3.31Å; N488-Y490 PolarHBondContact O-N 3.26Å; Y490-D494 HydrophobicContact CD1-CB 3.56Å; Y490-D494 HydrophobicContact CE1-CB 4.41Å; Y490-D494 HydrophobicContact CG-CB 4.02Å; Y490-M495 HydrophobicContact CD1-SD 4.21Å; Y490-M495 HydrophobicContact CG-SD 4.21Å; Y490-F535 HydrophobicContact CE1-CE1 4.41Å; Y490-V538 HydrophobicContact CE1-CG1 3.99Å; Y490-V538 PolarHBondContact OH-O 2.7Å; Y490-A540 HydrophobicContact CD2-CB 3.92Å; Y490-A540 HydrophobicContact CE2-CB 4.07Å
491	S	96.2	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.			trans	-75.5	168.3	168.1	70.3	0	0	0	0	111.6	P330 A493 D494 M495	P330-S491 WeakPolarHBondContact O-CB 3Å; S491-A493 PolarHBondContact O-N 2.9Å; S491-D494 WeakPolarHBondContact CB-OD2 3.45Å; S491-D494 PolarHBondContact N-OD2 3.29Å; S491-D494 PolarHBondContact O-N 2.84Å; S491-D494 VanDerWaalsContact O-N 3.11Å; S491-D494 PolarHBondContact OG-N 3.14Å; S491-D494 VanDerWaalsContact OG-N 3.13Å; S491-D494 PolarHBondContact OG-OD1 3.03Å; S491-D494 PolarHBondContact OG-OD2 3Å; S491-M495 WeakPolarHBondContact O-CG 3.09Å; S491-M495 PolarHBondContact O-N 3.26Å
492	G	95.2	Very high	96.2	Very high	19 Å²	19	36.1 Å²	36.1	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-35.5	174.2	0	0	0	0	0	112.9	G331 M495 A496	G331-G492 CarbonylContact O-C 3.6Å; G331-G492 WeakPolarHBondContact O-CA 3.38Å; G331-G492 PolarHBondContact O-N 3.32Å; G492-M495 PolarHBondContact O-N 2.71Å; G492-A496 PolarHBondContact O-N 3.4Å
493	A	95.8	Very high	96	Very high	41 Å²	41	34.7 Å²	34.7	34%	0.339	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-41.2	172.7	0	0	0	0	0	112.1	G331 S491 M495 A496 N497	G331-A493 PolarHBondContact O-N 2.66Å; S491-A493 PolarHBondContact O-N 2.9Å; A493-M495 VanDerWaalsContact C-N 3.32Å; A493-M495 PolarHBondContact O-N 2.75Å; A493-A496 PolarHBondContact O-N 3.13Å; A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 3.28Å; A493-N497 PolarHBondContact O-ND2 2.72Å
494	D	97.1	Very high	95.8	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-41	175.6	-55.9	-30.9	0	0	0	110.8	Y490 S491 A496 N497 L498 S541	Y490-D494 HydrophobicContact CD1-CB 3.56Å; Y490-D494 HydrophobicContact CE1-CB 4.41Å; Y490-D494 HydrophobicContact CG-CB 4.02Å; S491-D494 WeakPolarHBondContact CB-OD2 3.45Å; S491-D494 PolarHBondContact N-OD2 3.29Å; S491-D494 PolarHBondContact O-N 2.84Å; S491-D494 VanDerWaalsContact O-N 3.11Å; S491-D494 PolarHBondContact OG-N 3.14Å; S491-D494 VanDerWaalsContact OG-N 3.13Å; S491-D494 PolarHBondContact OG-OD1 3.03Å; S491-D494 PolarHBondContact OG-OD2 3Å; D494-A496 VanDerWaalsContact C-N 3.33Å; D494-A496 PolarHBondContact O-N 3.37Å; D494-N497 PolarHBondContact O-N 3.04Å; D494-L498 WeakPolarHBondContact O-CB 3.27Å; D494-L498 PolarHBondContact O-N 3.43Å; D494-S541 VanDerWaalsContact OD1-CB 3.3Å; D494-S541 WeakPolarHBondContact OD1-CB 3.45Å; D494-S541 PolarHBondContact OD1-OG 3.28Å; D494-S541 PolarHBondContact OD2-N 2.96Å; D494-S541 VanDerWaalsContact OD2-N 3.11Å; D494-S541 PolarHBondContact OD2-OG 3.17Å
495	M	97.4	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-40.7	174.3	-66.4	-55.1	-63.8	0	0	111.9	R460 I463 V464 A487 Y490 S491 G492 A493 L498 C499	R460-M495 HydrophobicContact CB-CE 4.02Å; R460-M495 HydrophobicContact CB-SD 4.32Å; R460-M495 HydrophobicContact CG-CE 4.48Å; R460-M495 HydrophobicContact CG-CG 4.34Å; R460-M495 HydrophobicContact CG-SD 4.13Å; I463-M495 HydrophobicContact CB-CB 4.48Å; I463-M495 HydrophobicContact CD1-CG 4.49Å; I463-M495 HydrophobicContact CG2-CB 3.66Å; I463-M495 HydrophobicContact CG2-CG 4.41Å; V464-M495 HydrophobicContact CG2-CE 3.19Å; A487-M495 HydrophobicContact CB-CE 3.99Å; A487-M495 HydrophobicContact CB-SD 3.48Å; A487-M495 WeakPolarHBondContact CB-SD 3.47Å; Y490-M495 HydrophobicContact CD1-SD 4.21Å; Y490-M495 HydrophobicContact CG-SD 4.21Å; S491-M495 WeakPolarHBondContact O-CG 3.09Å; S491-M495 PolarHBondContact O-N 3.26Å; G492-M495 PolarHBondContact O-N 2.71Å; A493-M495 VanDerWaalsContact C-N 3.32Å; A493-M495 PolarHBondContact O-N 2.75Å; M495-L498 HydrophobicContact CE-CD2 4.35Å; M495-L498 PolarHBondContact O-N 3.21Å; M495-C499 PolarHBondContact O-N 3.44Å; M495-C499 PolarHBondContact O-SG 3.02Å
496	A	96.1	Very high	95.3	Very high	25 Å²	25	35.2 Å²	35.2	21%	0.207	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-40.8	175.2	0	0	0	0	0	112.3	L467 G492 A493 D494 C499 R500	L467-A496 HydrophobicContact CD1-CB 4Å; G492-A496 PolarHBondContact O-N 3.4Å; A493-A496 PolarHBondContact O-N 3.13Å; D494-A496 VanDerWaalsContact C-N 3.33Å; D494-A496 PolarHBondContact O-N 3.37Å; A496-C499 PolarHBondContact O-N 3.35Å; A496-R500 WeakPolarHBondContact O-CB 3.44Å; A496-R500 PolarHBondContact O-N 3.31Å
497	N	96.8	Very high	95	Very high	68 Å²	68	32.4 Å²	32.4	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-66.2	-41.4	175.1	-68.4	-16.9	0	0	0	111.8	A493 D494 R500 E501 V538	A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 3.28Å; A493-N497 PolarHBondContact O-ND2 2.72Å; D494-N497 PolarHBondContact O-N 3.04Å; N497-R500 PolarHBondContact O-N 3.04Å; N497-R500 PolarHBondContact OD1-NH1 2.74Å; N497-E501 VanDerWaalsContact O-CB 3.24Å; N497-E501 WeakPolarHBondContact O-CB 3.26Å; N497-E501 PolarHBondContact O-N 2.87Å; N497-V538 HydrophobicContact CB-CG1 4.32Å
498	L	97.5	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-46.3	174.7	-178.9	71.2	0	0	0	111.5	I483 A487 D494 M495 E501 A502 F531 A534 F535 V538	I483-L498 HydrophobicContact CG2-CD2 4.2Å; A487-L498 HydrophobicContact CB-CD2 4.45Å; D494-L498 WeakPolarHBondContact O-CB 3.27Å; D494-L498 PolarHBondContact O-N 3.43Å; M495-L498 HydrophobicContact CE-CD2 4.35Å; M495-L498 PolarHBondContact O-N 3.21Å; L498-E501 PolarHBondContact O-N 3.46Å; L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 3.22Å; L498-F531 HydrophobicContact CD2-CD1 4.28Å; L498-F531 HydrophobicContact CD2-CE1 4.47Å; L498-F531 HydrophobicContact CG-CD1 4.12Å; L498-F531 HydrophobicContact CG-CE1 4.25Å; L498-A534 HydrophobicContact CD1-CB 3.75Å; L498-F535 HydrophobicContact CD1-CD1 3.76Å; L498-F535 HydrophobicContact CD1-CD2 4.45Å; L498-F535 HydrophobicContact CD1-CE1 3.92Å; L498-F535 HydrophobicContact CD1-CG 4.04Å; L498-F535 HydrophobicContact CD1-CZ 4.34Å; L498-F535 HydrophobicContact CD2-CD1 4.24Å; L498-F535 HydrophobicContact CD2-CE1 3.52Å; L498-F535 HydrophobicContact CD2-CE2 4.29Å; L498-F535 HydrophobicContact CD2-CZ 3.55Å; L498-F535 HydrophobicContact CG-CE1 4.39Å; L498-V538 HydrophobicContact CB-CG1 4.41Å; L498-V538 HydrophobicContact CD1-CB 4.3Å
499	C	96.6	Very high	94.3	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-41	178.1	-64.1	0	0	0	0	111.9	L467 M495 A496 E501 A502 A503	L467-C499 HydrophobicContact CB-CB 4.19Å; L467-C499 HydrophobicContact CD1-CB 4.04Å; M495-C499 PolarHBondContact O-N 3.44Å; M495-C499 PolarHBondContact O-SG 3.02Å; A496-C499 PolarHBondContact O-N 3.35Å; C499-E501 VanDerWaalsContact C-N 3.32Å; C499-E501 PolarHBondContact O-N 3.14Å; C499-A502 PolarHBondContact O-N 3.43Å; C499-A503 WeakPolarHBondContact O-CB 3.4Å; C499-A503 PolarHBondContact O-N 3.02Å
500	R	95.9	Very high	94.1	Very high	148 Å²	148	37.5 Å²	37.5	56%	0.558	20%	0.2	S	C	*	.	H	α-helix	trans	-62.8	-41.6	175.9	-170.3	-176.5	-57	101.4	2	111.6	A496 N497 A503 M504	A496-R500 WeakPolarHBondContact O-CB 3.44Å; A496-R500 PolarHBondContact O-N 3.31Å; N497-R500 PolarHBondContact O-N 3.04Å; N497-R500 PolarHBondContact OD1-NH1 2.74Å; R500-A503 PolarHBondContact O-N 2.91Å; R500-M504 PolarHBondContact O-N 3.15Å
501	E	96.2	Very high	93.5	Very high	29 Å²	29	41.2 Å²	41.2	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-41.7	178.2	178.1	57.8	-152.5	0	0	111.7	N497 L498 C499 M504 R508 A534 Q537 V538	N497-E501 VanDerWaalsContact O-CB 3.24Å; N497-E501 WeakPolarHBondContact O-CB 3.26Å; N497-E501 PolarHBondContact O-N 2.87Å; L498-E501 PolarHBondContact O-N 3.46Å; C499-E501 VanDerWaalsContact C-N 3.32Å; C499-E501 PolarHBondContact O-N 3.14Å; E501-M504 PolarHBondContact O-N 3.03Å; E501-R508 VanDerWaalsContact CD-NH1 3.29Å; E501-R508 PolarHBondContact O-NH1 3.04Å; E501-R508 IonicContact OE1-CZ 3.09Å; E501-R508 IonicContact OE1-NH1 3.2Å; E501-R508 PolarHBondContact OE1-NH1 3.48Å; E501-R508 IonicContact OE1-NH2 2.74Å; E501-R508 PolarHBondContact OE1-NH2 3.21Å; E501-R508 IonicContact OE2-CZ 3.46Å; E501-R508 IonicContact OE2-NH1 2.65Å; E501-R508 IonicContact OE2-NH2 3.33Å; E501-R508 PolarHBondContact OE2-NH2 3.31Å; E501-A534 HydrophobicContact CB-CB 3.94Å; E501-A534 HydrophobicContact CG-CB 3.53Å; E501-Q537 HydrophobicContact CG-CB 4.44Å; E501-Q537 PolarHBondContact OE1-NE2 2.65Å; E501-Q537 VanDerWaalsContact OE1-NE2 3.15Å; E501-Q537 PolarHBondContact OE1-OE1 3.01Å; E501-V538 HydrophobicContact CB-CG2 3.87Å; E501-V538 HydrophobicContact CG-CG2 3.97Å
502	A	95.9	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-38	173.9	0	0	0	0	0	112.1	L498 C499 M504 G505 V526 D530 F531 A534	L498-A502 WeakPolarHBondContact O-CB 3.45Å; L498-A502 PolarHBondContact O-N 3.22Å; C499-A502 PolarHBondContact O-N 3.43Å; A502-M504 PolarHBondContact O-N 3.5Å; A502-G505 PolarHBondContact O-N 3.47Å; A502-V526 HydrophobicContact CB-CG1 4.33Å; A502-D530 HydrophobicContact CB-CB 4.41Å; A502-D530 WeakPolarHBondContact O-CB 3.26Å; A502-F531 HydrophobicContact CB-CD1 3.8Å; A502-F531 HydrophobicContact CB-CD2 3.66Å; A502-F531 HydrophobicContact CB-CE1 3.76Å; A502-F531 HydrophobicContact CB-CE2 3.59Å; A502-F531 HydrophobicContact CB-CG 3.76Å; A502-F531 HydrophobicContact CB-CZ 3.64Å; A502-A534 HydrophobicContact CB-CB 4.01Å
503	A	94.2	Very high	92.2	Very high	19 Å²	19	55.1 Å²	55.1	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-22.3	176.7	0	0	0	0	0	113.5	C499 R500 G505 V526	C499-A503 WeakPolarHBondContact O-CB 3.4Å; C499-A503 PolarHBondContact O-N 3.02Å; R500-A503 PolarHBondContact O-N 2.91Å; A503-G505 VanDerWaalsContact C-N 3.32Å; A503-V526 HydrophobicContact CB-CG2 4.44Å
504	M	93.3	Very high	91.5	Very high	74 Å²	74	54.9 Å²	54.9	37%	0.365	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.7	171.5	-68.7	-64.4	98.2	0	0	113.4	R500 E501 A502 I507 R508	R500-M504 PolarHBondContact O-N 3.15Å; E501-M504 PolarHBondContact O-N 3.03Å; A502-M504 PolarHBondContact O-N 3.5Å; M504-I507 HydrophobicContact CE-CD1 3.6Å; M504-I507 PolarHBondContact O-N 3.23Å; M504-I507 HydrophobicContact SD-CD1 4.05Å; M504-R508 WeakPolarHBondContact O-CG 3.07Å; M504-R508 PolarHBondContact O-N 3.19Å
505	G	91.3	Very high	90.9	Very high	10 Å²	10	58 Å²	58	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-53.6	-52.1	179.6	0	0	0	0	0	113.9	A502 A503 I507 R508 S509 R524 D530	A502-G505 PolarHBondContact O-N 3.47Å; A503-G505 VanDerWaalsContact C-N 3.32Å; G505-I507 PolarHBondContact O-N 3.12Å; G505-R508 PolarHBondContact O-N 2.84Å; G505-S509 PolarHBondContact O-N 2.85Å; G505-R524 PolarHBondContact O-NH2 3.08Å; G505-D530 WeakPolarHBondContact CA-OD1 3.34Å
506	P	91	Very high	90.3	Very high	4 Å²	4	65 Å²	65	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-54.6	-47	174.2	-30.2	37.2	0	0	0	113.7	R508 S509 V523 R524 V526	P506-R508 VanDerWaalsContact C-N 3.33Å; P506-R508 PolarHBondContact O-N 2.76Å; P506-S509 PolarHBondContact O-N 3.34Å; P506-S509 VanDerWaalsContact O-N 3.15Å; P506-S509 PolarHBondContact O-OG 3.13Å; P506-V523 HydrophobicContact CB-CG1 3.69Å; P506-R524 HydrophobicContact CB-CG 3.78Å; P506-R524 VanDerWaalsContact CB-O 3.26Å; P506-R524 WeakPolarHBondContact CB-O 3.4Å; P506-R524 HydrophobicContact CG-CG 4.23Å; P506-R524 WeakPolarHBondContact CG-O 3.37Å; P506-V526 HydrophobicContact CG-CG2 4.12Å
507	I	90.9	Very high	89.6	Confident	69 Å²	69	71.4 Å²	71.4	35%	0.354	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-39.9	-178.4	-57.7	-179.9	0	0	0	110.9	M504 G505 S509 L510 I515	M504-I507 HydrophobicContact CE-CD1 3.6Å; M504-I507 PolarHBondContact O-N 3.23Å; M504-I507 HydrophobicContact SD-CD1 4.05Å; G505-I507 PolarHBondContact O-N 3.12Å; I507-S509 PolarHBondContact O-N 3.49Å; I507-L510 WeakPolarHBondContact O-CB 3.38Å; I507-L510 PolarHBondContact O-N 2.96Å; I507-L510 VanDerWaalsContact O-N 3.16Å; I507-I515 HydrophobicContact CG2-CD1 4.41Å
508	R	88.6	Confident	89	Confident	130 Å²	130	70.4 Å²	70.4	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-68.7	-17.7	178.2	-70.8	-179.6	-171.3	130.5	-11	114.1	E501 M504 G505 P506 L510	E501-R508 VanDerWaalsContact CD-NH1 3.29Å; E501-R508 PolarHBondContact O-NH1 3.04Å; E501-R508 IonicContact OE1-CZ 3.09Å; E501-R508 IonicContact OE1-NH1 3.2Å; E501-R508 PolarHBondContact OE1-NH1 3.48Å; E501-R508 IonicContact OE1-NH2 2.74Å; E501-R508 PolarHBondContact OE1-NH2 3.21Å; E501-R508 IonicContact OE2-CZ 3.46Å; E501-R508 IonicContact OE2-NH1 2.65Å; E501-R508 IonicContact OE2-NH2 3.33Å; E501-R508 PolarHBondContact OE2-NH2 3.31Å; M504-R508 WeakPolarHBondContact O-CG 3.07Å; M504-R508 PolarHBondContact O-N 3.19Å; G505-R508 PolarHBondContact O-N 2.84Å; P506-R508 VanDerWaalsContact C-N 3.33Å; P506-R508 PolarHBondContact O-N 2.76Å; R508-L510 VanDerWaalsContact C-N 3.31Å
509	S	86.3	Confident	88.3	Confident	73 Å²	73	72.2 Å²	72.2	51%	0.51	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.9	174.8	64.4	0	0	0	0	113.7	G505 P506 I507 R524	G505-S509 PolarHBondContact O-N 2.85Å; P506-S509 PolarHBondContact O-N 3.34Å; P506-S509 VanDerWaalsContact O-N 3.15Å; P506-S509 PolarHBondContact O-OG 3.13Å; I507-S509 PolarHBondContact O-N 3.49Å; S509-R524 PolarHBondContact OG-NE 3.48Å
510	L	87	Confident	87.4	Confident	48 Å²	48	77.9 Å²	77.9	25%	0.251	41%	0.406	S	S	.	.	S	Bend	trans	-86.1	149.1	178.3	-57.6	173.5	0	0	0	111.2	I507 R508 I515 I518	I507-L510 WeakPolarHBondContact O-CB 3.38Å; I507-L510 PolarHBondContact O-N 2.96Å; I507-L510 VanDerWaalsContact O-N 3.16Å; R508-L510 VanDerWaalsContact C-N 3.31Å; L510-I515 HydrophobicContact CB-CD1 4.26Å; L510-I515 HydrophobicContact CB-CG1 3.73Å; L510-I515 HydrophobicContact CD1-CG1 4.19Å; L510-I518 HydrophobicContact CD1-CD1 3.51Å; L510-I518 HydrophobicContact CD1-CG2 4.2Å; L510-I518 HydrophobicContact CD2-CD1 3.63Å; L510-I518 HydrophobicContact CG-CD1 4.21Å
511	T	84.8	Confident	86.8	Confident	92 Å²	92	77.5 Å²	77.5	56%	0.564	42%	0.415	S	S	*	.			trans	-74.7	153.5	170.8	59.3	0	0	0	0	110.6	E513 A514 I515	T511-E513 PolarHBondContact O-N 3.42Å; T511-A514 PolarHBondContact O-N 3.07Å; T511-A514 VanDerWaalsContact OG1-CB 3.26Å; T511-A514 WeakPolarHBondContact OG1-CB 3.39Å; T511-A514 PolarHBondContact OG1-N 3.49Å; T511-I515 WeakPolarHBondContact O-CG1 3.26Å; T511-I515 PolarHBondContact O-N 3.42Å
512	M	82.4	Confident	86.1	Confident	155 Å²	155	82.2 Å²	82.2	76%	0.764	44%	0.437	S	S	*	.	H	α-helix	trans	-58.2	-33.1	-179.5	-166.1	66.4	124.5	0	0	112.8
513	E	81.9	Confident	85.7	Confident	156 Å²	156	84.3 Å²	84.3	73%	0.729	45%	0.449	S	S	*	.	H	α-helix	trans	-70.6	-42.3	175.2	-64.3	174.2	-174.6	0	0	111.7	T511 I515 Q516	T511-E513 PolarHBondContact O-N 3.42Å; E513-I515 VanDerWaalsContact C-N 3.33Å; E513-I515 PolarHBondContact O-N 3.15Å; E513-Q516 PolarHBondContact O-N 3.06Å
514	A	81.1	Confident	85.6	Confident	36 Å²	36	86.9 Å²	86.9	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-64.4	-37.2	178.9	0	0	0	0	0	112.1	T511 Q516 H517 I518	T511-A514 PolarHBondContact O-N 3.07Å; T511-A514 VanDerWaalsContact OG1-CB 3.26Å; T511-A514 WeakPolarHBondContact OG1-CB 3.39Å; T511-A514 PolarHBondContact OG1-N 3.49Å; A514-Q516 PolarHBondContact O-N 2.94Å; A514-Q516 VanDerWaalsContact O-N 3.1Å; A514-H517 PolarHBondContact O-N 3.01Å; A514-I518 VanDerWaalsContact O-CB 3.27Å; A514-I518 WeakPolarHBondContact O-CB 3.49Å; A514-I518 WeakPolarHBondContact O-CG2 3.43Å; A514-I518 PolarHBondContact O-N 3.49Å
515	I	83.9	Confident	85.6	Confident	75 Å²	75	84.5 Å²	84.5	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-58.1	-27.4	-179.7	-68.3	169	0	0	0	112.4	I507 L510 T511 E513	I507-I515 HydrophobicContact CG2-CD1 4.41Å; L510-I515 HydrophobicContact CB-CD1 4.26Å; L510-I515 HydrophobicContact CB-CG1 3.73Å; L510-I515 HydrophobicContact CD1-CG1 4.19Å; T511-I515 WeakPolarHBondContact O-CG1 3.26Å; T511-I515 PolarHBondContact O-N 3.42Å; E513-I515 VanDerWaalsContact C-N 3.33Å; E513-I515 PolarHBondContact O-N 3.15Å
516	Q	84	Confident	85.8	Confident	148 Å²	148	84.3 Å²	84.3	69%	0.692	44%	0.442	S	S	*	.	H	α-helix	trans	-75.6	-26.6	179.4	-62.4	-174.7	12	0	0	113.6	E513 A514	E513-Q516 PolarHBondContact O-N 3.06Å; A514-Q516 PolarHBondContact O-N 2.94Å; A514-Q516 VanDerWaalsContact O-N 3.1Å
517	H	82.9	Confident	85.9	Confident	160 Å²	160	87.6 Å²	87.6	74%	0.741	46%	0.457	S	S	*	.	H	α-helix	trans	-116.5	-15.6	-170.6	-62.1	-56.1	0	0	0	113.9	A514	A514-H517 PolarHBondContact O-N 3.01Å
518	I	83.8	Confident	86.2	Confident	46 Å²	46	86 Å²	86	24%	0.236	45%	0.449	C	S	.	.			trans	-65.3	135.8	-177.3	-164	169.9	0	0	0	111.2	L510 A514 E522 V523	L510-I518 HydrophobicContact CD1-CD1 3.51Å; L510-I518 HydrophobicContact CD1-CG2 4.2Å; L510-I518 HydrophobicContact CD2-CD1 3.63Å; L510-I518 HydrophobicContact CG-CD1 4.21Å; A514-I518 VanDerWaalsContact O-CB 3.27Å; A514-I518 WeakPolarHBondContact O-CB 3.49Å; A514-I518 WeakPolarHBondContact O-CG2 3.43Å; A514-I518 PolarHBondContact O-N 3.49Å; I518-E522 HydrophobicContact CD1-CB 4.02Å; I518-E522 HydrophobicContact CG1-CB 3.57Å; I518-E522 WeakPolarHBondContact CG1-OE2 3.35Å; I518-V523 HydrophobicContact CD1-CG2 4.12Å
519	A	82	Confident	86.5	Confident	39 Å²	39	83.7 Å²	83.7	32%	0.322	45%	0.449	S	S	.	.			trans	-78.9	154.6	172	0	0	0	0	0	110.9	D521 E522	A519-D521 WeakPolarHBondContact CB-OD1 3.4Å; A519-D521 PolarHBondContact O-N 3.43Å; A519-E522 HydrophobicContact CB-CG 4.11Å; A519-E522 PolarHBondContact N-OE2 3.28Å; A519-E522 PolarHBondContact O-N 3.17Å; A519-E522 VanDerWaalsContact O-N 3.08Å
520	C	78.9	Confident	87	Confident	125 Å²	125	80.7 Å²	80.7	85%	0.845	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	-177.5	-65.9	0	0	0	0	113.3
521	D	81.7	Confident	87.4	Confident	140 Å²	140	78.4 Å²	78.4	75%	0.749	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.7	178	55.6	-52.6	0	0	0	113.8	A519 V523	A519-D521 WeakPolarHBondContact CB-OD1 3.4Å; A519-D521 PolarHBondContact O-N 3.43Å; D521-V523 VanDerWaalsContact C-N 3.32Å
522	E	83.2	Confident	87.9	Confident	128 Å²	128	76.6 Å²	76.6	60%	0.598	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.3	175.3	-66.4	178.4	149.3	0	0	112.6	I518 A519 R524	I518-E522 HydrophobicContact CD1-CB 4.02Å; I518-E522 HydrophobicContact CG1-CB 3.57Å; I518-E522 WeakPolarHBondContact CG1-OE2 3.35Å; A519-E522 HydrophobicContact CB-CG 4.11Å; A519-E522 PolarHBondContact N-OE2 3.28Å; A519-E522 PolarHBondContact O-N 3.17Å; A519-E522 VanDerWaalsContact O-N 3.08Å; E522-R524 PolarHBondContact O-N 3.5Å
523	V	87.4	Confident	88.5	Confident	43 Å²	43	71.4 Å²	71.4	26%	0.261	38%	0.383	S	S	.	.	S	Bend	trans	-70.1	119	174.7	-176.9	0	0	0	0	109.1	P506 I518 D521	P506-V523 HydrophobicContact CB-CG1 3.69Å; I518-V523 HydrophobicContact CD1-CG2 4.12Å; D521-V523 VanDerWaalsContact C-N 3.32Å
524	R	91.8	Very high	89.2	Confident	74 Å²	74	64.1 Å²	64.1	28%	0.279	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-56.5	149.9	179.4	70	172.1	-179.7	81.1	-1.9	112	G505 P506 S509 E522 D530	G505-R524 PolarHBondContact O-NH2 3.08Å; P506-R524 HydrophobicContact CB-CG 3.78Å; P506-R524 VanDerWaalsContact CB-O 3.26Å; P506-R524 WeakPolarHBondContact CB-O 3.4Å; P506-R524 HydrophobicContact CG-CG 4.23Å; P506-R524 WeakPolarHBondContact CG-O 3.37Å; S509-R524 PolarHBondContact OG-NE 3.48Å; E522-R524 PolarHBondContact O-N 3.5Å; R524-D530 IonicContact CZ-OD1 3.17Å; R524-D530 IonicContact CZ-OD2 3.12Å; R524-D530 IonicContact NH1-OD1 3.96Å; R524-D530 PolarHBondContact NH1-OD1 3.5Å; R524-D530 IonicContact NH1-OD2 3.13Å; R524-D530 PolarHBondContact NH1-OD2 3.45Å; R524-D530 IonicContact NH2-OD1 3.82Å; R524-D530 PolarHBondContact NH2-OD1 3.46Å; R524-D530 IonicContact NH2-OD2 3.78Å
525	P	92.8	Very high	90	Very high	23 Å²	23	63.7 Å²	63.7	15%	0.149	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-58	157.9	172.1	16.4	-26.6	0	0	0	113	H472 T474 E527	H472-P525 WeakPolarHBondContact CD2-CB 3.4Å; H472-P525 WeakPolarHBondContact O-CA 3.46Å; T474-P525 HydrophobicContact CG2-CB 3.76Å; T474-P525 HydrophobicContact CG2-CG 3.4Å; T474-P525 VanDerWaalsContact CG2-CG 3.4Å; P525-E527 PolarHBondContact O-N 3.46Å
526	V	94.8	Very high	90.5	Very high	6 Å²	6	69.4 Å²	69.4	4%	0.036	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-69	127.6	168.3	-175.5	0	0	0	0	109.8	H472 H473 T474 A502 A503 P506 D530 F531	H472-V526 PolarHBondContact O-N 2.94Å; H473-V526 VanDerWaalsContact CA-O 3.32Å; H473-V526 WeakPolarHBondContact CA-O 3.36Å; H473-V526 HydrophobicContact CB-CB 4.09Å; H473-V526 WeakPolarHBondContact CB-O 3.5Å; T474-V526 PolarHBondContact N-O 2.78Å; T474-V526 VanDerWaalsContact N-O 3.08Å; T474-V526 PolarHBondContact OG1-O 3.27Å; A502-V526 HydrophobicContact CB-CG1 4.33Å; A503-V526 HydrophobicContact CB-CG2 4.44Å; P506-V526 HydrophobicContact CG-CG2 4.12Å; V526-D530 HydrophobicContact CG1-CB 4.21Å; V526-F531 HydrophobicContact CG1-CD2 4.25Å; V526-F531 HydrophobicContact CG1-CE2 3.82Å
527	E	94.7	Very high	90.9	Very high	73 Å²	73	68.2 Å²	68.2	34%	0.341	35%	0.352	S	S	.	.			trans	-113	168.2	-178.3	-66.4	-177.9	178.7	0	0	111.8	T474 P525 T529 D530	T474-E527 WeakPolarHBondContact OG1-CG 3.38Å; P525-E527 PolarHBondContact O-N 3.46Å; E527-T529 WeakPolarHBondContact CB-OG1 3.15Å; E527-T529 PolarHBondContact O-N 3.41Å; E527-T529 PolarHBondContact OE2-OG1 3.12Å; E527-D530 PolarHBondContact N-OD2 3.12Å; E527-D530 WeakPolarHBondContact O-CB 3.42Å; E527-D530 PolarHBondContact O-N 3.23Å; E527-D530 VanDerWaalsContact O-N 3.14Å
528	L	95.4	Very high	91.4	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.183	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-31	176.6	-179.6	62.2	0	0	0	112.1	L475 D479 I483 D530 F531 H532	L475-L528 HydrophobicContact CD2-CB 3.83Å; L475-L528 VanDerWaalsContact CD2-N 3.29Å; D479-L528 HydrophobicContact CB-CD1 4.21Å; D479-L528 HydrophobicContact CB-CD2 4.36Å; I483-L528 HydrophobicContact CD1-CD1 4.03Å; I483-L528 HydrophobicContact CG1-CD1 3.78Å; L528-D530 VanDerWaalsContact C-N 3.26Å; L528-D530 PolarHBondContact O-N 3.26Å; L528-F531 HydrophobicContact CD1-CB 4.48Å; L528-F531 WeakPolarHBondContact O-CB 3.33Å; L528-F531 PolarHBondContact O-N 2.83Å; L528-F531 VanDerWaalsContact O-N 3.13Å; L528-H532 PolarHBondContact O-N 3.32Å
529	T	95.1	Very high	91.9	Very high	82 Å²	82	66.6 Å²	66.6	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-35.9	175.7	52.5	0	0	0	0	112	E527 H532 A533	E527-T529 WeakPolarHBondContact CB-OG1 3.15Å; E527-T529 PolarHBondContact O-N 3.41Å; E527-T529 PolarHBondContact OE2-OG1 3.12Å; T529-H532 WeakPolarHBondContact O-CB 3.37Å; T529-H532 PolarHBondContact O-N 3.37Å; T529-A533 PolarHBondContact O-N 3.43Å
530	D	96.4	Very high	92.4	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.059	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-38.7	175.7	-60.6	-49.6	0	0	0	111.4	A502 G505 R524 V526 E527 L528 A533 A534	A502-D530 HydrophobicContact CB-CB 4.41Å; A502-D530 WeakPolarHBondContact O-CB 3.26Å; G505-D530 WeakPolarHBondContact CA-OD1 3.34Å; R524-D530 IonicContact CZ-OD1 3.17Å; R524-D530 IonicContact CZ-OD2 3.12Å; R524-D530 IonicContact NH1-OD1 3.96Å; R524-D530 PolarHBondContact NH1-OD1 3.5Å; R524-D530 IonicContact NH1-OD2 3.13Å; R524-D530 PolarHBondContact NH1-OD2 3.45Å; R524-D530 IonicContact NH2-OD1 3.82Å; R524-D530 PolarHBondContact NH2-OD1 3.46Å; R524-D530 IonicContact NH2-OD2 3.78Å; V526-D530 HydrophobicContact CG1-CB 4.21Å; E527-D530 PolarHBondContact N-OD2 3.12Å; E527-D530 WeakPolarHBondContact O-CB 3.42Å; E527-D530 PolarHBondContact O-N 3.23Å; E527-D530 VanDerWaalsContact O-N 3.14Å; L528-D530 VanDerWaalsContact C-N 3.26Å; L528-D530 PolarHBondContact O-N 3.26Å; D530-A533 PolarHBondContact O-N 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.48Å; D530-A534 PolarHBondContact O-N 3.37Å
531	F	97	Very high	92.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-39.7	172.8	-84.8	-87.3	0	0	0	112	V464 L468 L475 I483 L498 A502 V526 L528 A533 A534 F535	V464-F531 HydrophobicContact CG1-CE1 4.27Å; V464-F531 HydrophobicContact CG1-CZ 4.09Å; L468-F531 HydrophobicContact CD1-CE2 3.84Å; L468-F531 HydrophobicContact CD1-CZ 3.77Å; L468-F531 HydrophobicContact CD2-CZ 4.31Å; L468-F531 HydrophobicContact CG-CZ 4.34Å; L475-F531 HydrophobicContact CD1-CD2 4.11Å; L475-F531 HydrophobicContact CD1-CE2 3.72Å; I483-F531 HydrophobicContact CD1-CB 4.14Å; I483-F531 HydrophobicContact CD1-CD1 3.83Å; I483-F531 HydrophobicContact CD1-CD2 3.78Å; I483-F531 HydrophobicContact CD1-CE1 4.18Å; I483-F531 HydrophobicContact CD1-CE2 4.15Å; I483-F531 HydrophobicContact CD1-CG 3.62Å; I483-F531 HydrophobicContact CD1-CZ 4.34Å; I483-F531 HydrophobicContact CG1-CB 4.12Å; I483-F531 HydrophobicContact CG1-CD1 4.1Å; I483-F531 HydrophobicContact CG1-CG 4.03Å; I483-F531 HydrophobicContact CG2-CD1 3.94Å; I483-F531 HydrophobicContact CG2-CE1 4.22Å; L498-F531 HydrophobicContact CD2-CD1 4.28Å; L498-F531 HydrophobicContact CD2-CE1 4.47Å; L498-F531 HydrophobicContact CG-CD1 4.12Å; L498-F531 HydrophobicContact CG-CE1 4.25Å; A502-F531 HydrophobicContact CB-CD1 3.8Å; A502-F531 HydrophobicContact CB-CD2 3.66Å; A502-F531 HydrophobicContact CB-CE1 3.76Å; A502-F531 HydrophobicContact CB-CE2 3.59Å; A502-F531 HydrophobicContact CB-CG 3.76Å; A502-F531 HydrophobicContact CB-CZ 3.64Å; V526-F531 HydrophobicContact CG1-CD2 4.25Å; V526-F531 HydrophobicContact CG1-CE2 3.82Å; L528-F531 HydrophobicContact CD1-CB 4.48Å; L528-F531 WeakPolarHBondContact O-CB 3.33Å; L528-F531 PolarHBondContact O-N 2.83Å; L528-F531 VanDerWaalsContact O-N 3.13Å; F531-A533 VanDerWaalsContact C-N 3.3Å; F531-A533 PolarHBondContact O-N 3.45Å; F531-A534 WeakPolarHBondContact O-CB 3.36Å; F531-A534 PolarHBondContact O-N 3.2Å; F531-F535 WeakPolarHBondContact O-CD2 3.33Å; F531-F535 PolarHBondContact O-N 2.96Å
532	H	95.6	Very high	93.1	Very high	54 Å²	54	58.4 Å²	58.4	25%	0.25	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-37.5	173.7	-68	-21.1	0	0	0	112.7	D482 R486 L528 T529	D482-H532 IonicContact OD2-CE1 3.8Å; D482-H532 PolarHBondContact OD2-CE1 3.4Å; R486-H532 PolarHBondContact NH1-CE1 3.5Å; R486-H532 VanDerWaalsContact NH1-CE1 3.26Å; R486-H532 PolarHBondContact NH1-ND1 3.04Å; R486-H532 PolarHBondContact NH2-CE1 3.49Å; L528-H532 PolarHBondContact O-N 3.32Å; T529-H532 WeakPolarHBondContact O-CB 3.37Å; T529-H532 PolarHBondContact O-N 3.37Å
533	A	94.9	Very high	93.3	Very high	46 Å²	46	54.5 Å²	54.5	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-42.7	172.3	0	0	0	0	0	111.5	T529 D530 F531 F535 R536	T529-A533 PolarHBondContact O-N 3.43Å; D530-A533 PolarHBondContact O-N 3.22Å; F531-A533 VanDerWaalsContact C-N 3.3Å; F531-A533 PolarHBondContact O-N 3.45Å; A533-F535 VanDerWaalsContact C-N 3.34Å; A533-F535 PolarHBondContact O-N 3.44Å; A533-R536 WeakPolarHBondContact O-CB 3.22Å; A533-R536 PolarHBondContact O-N 3.33Å
534	A	96.6	Very high	93.2	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-39.9	178.6	0	0	0	0	0	112.6	L498 E501 A502 D530 F531 R536 Q537 V538	L498-A534 HydrophobicContact CD1-CB 3.75Å; E501-A534 HydrophobicContact CB-CB 3.94Å; E501-A534 HydrophobicContact CG-CB 3.53Å; A502-A534 HydrophobicContact CB-CB 4.01Å; D530-A534 WeakPolarHBondContact O-CB 3.48Å; D530-A534 PolarHBondContact O-N 3.37Å; F531-A534 WeakPolarHBondContact O-CB 3.36Å; F531-A534 PolarHBondContact O-N 3.2Å; A534-R536 PolarHBondContact O-N 2.95Å; A534-R536 VanDerWaalsContact O-N 3.09Å; A534-Q537 PolarHBondContact O-N 3.05Å; A534-V538 PolarHBondContact O-N 3.45Å
535	F	96.3	Very high	93.1	Very high	27 Å²	27	56.7 Å²	56.7	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-14.8	173	-82.5	-59.3	0	0	0	113.7	I483 R486 A487 Y490 L498 F531 A533 R539	I483-F535 HydrophobicContact CG2-CE2 4.27Å; I483-F535 HydrophobicContact CG2-CZ 4.05Å; I483-F535 WeakPolarHBondContact O-CZ 3.32Å; R486-F535 HydrophobicContact CB-CD2 4.4Å; R486-F535 HydrophobicContact CB-CE1 4.03Å; R486-F535 HydrophobicContact CB-CE2 3.82Å; R486-F535 HydrophobicContact CB-CZ 3.6Å; A487-F535 HydrophobicContact CB-CE1 3.91Å; A487-F535 HydrophobicContact CB-CZ 4.04Å; Y490-F535 HydrophobicContact CE1-CE1 4.41Å; L498-F535 HydrophobicContact CD1-CD1 3.76Å; L498-F535 HydrophobicContact CD1-CD2 4.45Å; L498-F535 HydrophobicContact CD1-CE1 3.92Å; L498-F535 HydrophobicContact CD1-CG 4.04Å; L498-F535 HydrophobicContact CD1-CZ 4.34Å; L498-F535 HydrophobicContact CD2-CD1 4.24Å; L498-F535 HydrophobicContact CD2-CE1 3.52Å; L498-F535 HydrophobicContact CD2-CE2 4.29Å; L498-F535 HydrophobicContact CD2-CZ 3.55Å; L498-F535 HydrophobicContact CG-CE1 4.39Å; F531-F535 WeakPolarHBondContact O-CD2 3.33Å; F531-F535 PolarHBondContact O-N 2.96Å; A533-F535 VanDerWaalsContact C-N 3.34Å; A533-F535 PolarHBondContact O-N 3.44Å; F535-R539 PolarHBondContact O-NH1 2.87Å
536	R	94.4	Very high	92.9	Very high	195 Å²	195	58.7 Å²	58.7	74%	0.736	32%	0.316	S	S	*	.	H	α-helix	trans	-81.7	-26.4	173.3	-62.1	178.4	-176.1	173.6	0.9	112.3	A533 A534 R539	A533-R536 WeakPolarHBondContact O-CB 3.22Å; A533-R536 PolarHBondContact O-N 3.33Å; A534-R536 PolarHBondContact O-N 2.95Å; A534-R536 VanDerWaalsContact O-N 3.09Å; R536-R539 VanDerWaalsContact C-NH1 3.29Å; R536-R539 PolarHBondContact O-NH1 3.34Å; R536-R539 PolarHBondContact O-NH2 3.24Å
537	Q	92.3	Very high	92.7	Very high	124 Å²	124	60.3 Å²	60.3	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-100.4	-38.4	-175.8	-58.5	-169.9	29.3	0	0	112.7	E501 A534	E501-Q537 HydrophobicContact CG-CB 4.44Å; E501-Q537 PolarHBondContact OE1-NE2 2.65Å; E501-Q537 VanDerWaalsContact OE1-NE2 3.15Å; E501-Q537 PolarHBondContact OE1-OE1 3.01Å; A534-Q537 PolarHBondContact O-N 3.05Å
538	V	94.8	Very high	92.6	Very high	20 Å²	20	63 Å²	63	12%	0.121	34%	0.337	C	S	.	.			trans	-90.7	136.6	179.2	-172.9	0	0	0	0	109.5	Y490 N497 L498 E501 A534	Y490-V538 HydrophobicContact CE1-CG1 3.99Å; Y490-V538 PolarHBondContact OH-O 2.7Å; N497-V538 HydrophobicContact CB-CG1 4.32Å; L498-V538 HydrophobicContact CB-CG1 4.41Å; L498-V538 HydrophobicContact CD1-CB 4.3Å; E501-V538 HydrophobicContact CB-CG2 3.87Å; E501-V538 HydrophobicContact CG-CG2 3.97Å; A534-V538 PolarHBondContact O-N 3.45Å
539	R	93.7	Very high	92.5	Very high	152 Å²	152	65.6 Å²	65.6	57%	0.574	35%	0.349	S	S	*	.			trans	-127.8	157.1	176.3	-66.3	-72.9	177.5	-79.9	-2.7	108.9	F535 R536	F535-R539 PolarHBondContact O-NH1 2.87Å; R536-R539 VanDerWaalsContact C-NH1 3.29Å; R536-R539 PolarHBondContact O-NH1 3.34Å; R536-R539 PolarHBondContact O-NH2 3.24Å
540	A	92.6	Very high	92.5	Very high	41 Å²	41	62.6 Å²	62.6	34%	0.339	33%	0.328	S	S	.	.			trans	-61.4	135.6	171.9	0	0	0	0	0	110.2	Y490	Y490-A540 HydrophobicContact CD2-CB 3.92Å; Y490-A540 HydrophobicContact CE2-CB 4.07Å
541	S	89.8	Confident	92.3	Very high	71 Å²	71	66.4 Å²	66.4	50%	0.497	35%	0.348	S	S	.	.	S	Bend	trans	-85.3	-15	-178.2	50	0	0	0	0	114.1	D494	D494-S541 VanDerWaalsContact OD1-CB 3.3Å; D494-S541 WeakPolarHBondContact OD1-CB 3.45Å; D494-S541 PolarHBondContact OD1-OG 3.28Å; D494-S541 PolarHBondContact OD2-N 2.96Å; D494-S541 VanDerWaalsContact OD2-N 3.11Å; D494-S541 PolarHBondContact OD2-OG 3.17Å
542	N	85.6	Confident	92.2	Very high	19 Å²	19	73.9 Å²	73.9	10%	0.102	38%	0.38	C	S	.	.			trans	-107.2	131.8	-175.3	-63.3	-82.8	0	0	0	110.7	P329 P330 L454	P329-N542 WeakPolarHBondContact CB-OD1 3.31Å; P330-N542 WeakPolarHBondContact CD-OD1 3.34Å; L454-N542 HydrophobicContact CD1-CB 4.5Å
543	S	86.6	Confident	92.2	Very high	46 Å²	46	72 Å²	72	32%	0.322	37%	0.371	S	S	.	.			trans	-84.4	160.5	174.4	74.1	0	0	0	0	111.6	S545 D546 L547	S543-S545 VanDerWaalsContact C-N 3.29Å; S543-S545 PolarHBondContact O-N 3.42Å; S543-S545 PolarHBondContact OG-OG 3.48Å; S543-D546 WeakPolarHBondContact CB-OD2 3.44Å; S543-D546 PolarHBondContact N-OD2 3.4Å; S543-D546 PolarHBondContact O-N 2.94Å; S543-D546 PolarHBondContact OG-N 3.17Å; S543-D546 PolarHBondContact OG-OD1 3.12Å; S543-D546 PolarHBondContact OG-OD2 3.01Å; S543-L547 WeakPolarHBondContact O-CG 3.49Å; S543-L547 PolarHBondContact O-N 3.29Å
544	S	86.6	Confident	92.2	Very high	93 Å²	93	70.5 Å²	70.5	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-37.4	174.3	52.2	0	0	0	0	112.3	D546 L547 E548	S544-D546 VanDerWaalsContact C-N 3.34Å; S544-D546 PolarHBondContact O-N 3.01Å; S544-L547 PolarHBondContact O-N 3.42Å; S544-E548 PolarHBondContact O-N 3.14Å; S544-E548 VanDerWaalsContact O-N 3.09Å
545	S	88.7	Confident	92.1	Very high	71 Å²	71	75.1 Å²	75.1	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-37	176.8	45.8	0	0	0	0	113	S543 L547 E548 Q549	S543-S545 VanDerWaalsContact C-N 3.29Å; S543-S545 PolarHBondContact O-N 3.42Å; S543-S545 PolarHBondContact OG-OG 3.48Å; S545-L547 VanDerWaalsContact C-N 3.33Å; S545-E548 PolarHBondContact O-N 3.44Å; S545-Q549 PolarHBondContact O-N 3.37Å
546	D	88.4	Confident	92	Very high	64 Å²	64	79.5 Å²	79.5	34%	0.342	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-39.9	177.4	-57.9	-36	0	0	0	110.6	S543 S544 Q549 Y550	S543-D546 WeakPolarHBondContact CB-OD2 3.44Å; S543-D546 PolarHBondContact N-OD2 3.4Å; S543-D546 PolarHBondContact O-N 2.94Å; S543-D546 PolarHBondContact OG-N 3.17Å; S543-D546 PolarHBondContact OG-OD1 3.12Å; S543-D546 PolarHBondContact OG-OD2 3.01Å; S544-D546 VanDerWaalsContact C-N 3.34Å; S544-D546 PolarHBondContact O-N 3.01Å; D546-Q549 WeakPolarHBondContact O-CB 3.5Å; D546-Q549 PolarHBondContact O-N 3.28Å; D546-Y550 WeakPolarHBondContact O-CD2 3.36Å; D546-Y550 PolarHBondContact O-N 3.45Å
547	L	90.9	Very high	92	Very high	40 Å²	40	73.2 Å²	73.2	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-42.5	177.6	-64.2	174.7	0	0	0	112	P329 L454 S543 S544 S545 Q549 Y550 L551	P329-L547 HydrophobicContact CB-CD2 4.5Å; P329-L547 HydrophobicContact CG-CD2 4.07Å; L454-L547 HydrophobicContact CD1-CD1 3.68Å; L454-L547 HydrophobicContact CD1-CD2 3.64Å; L454-L547 HydrophobicContact CD1-CG 4.26Å; L454-L547 HydrophobicContact CG-CD2 3.91Å; S543-L547 WeakPolarHBondContact O-CG 3.49Å; S543-L547 PolarHBondContact O-N 3.29Å; S544-L547 PolarHBondContact O-N 3.42Å; S545-L547 VanDerWaalsContact C-N 3.33Å; L547-Q549 VanDerWaalsContact C-N 3.25Å; L547-Q549 PolarHBondContact O-N 3.17Å; L547-Y550 PolarHBondContact O-N 3.32Å; L547-L551 WeakPolarHBondContact O-CG 3.37Å; L547-L551 PolarHBondContact O-N 3.17Å
548	E	92.7	Very high	92	Very high	130 Å²	130	68.4 Å²	68.4	61%	0.607	37%	0.371	S	S	*	.	H	α-helix	trans	-59.4	-37.2	174.5	-72.4	175	-165.1	0	0	112.1	S544 S545 L551 K552	S544-E548 PolarHBondContact O-N 3.14Å; S544-E548 VanDerWaalsContact O-N 3.09Å; S545-E548 PolarHBondContact O-N 3.44Å; E548-L551 PolarHBondContact O-N 3.28Å; E548-K552 WeakPolarHBondContact O-CB 3.43Å; E548-K552 PolarHBondContact O-N 3.4Å
549	Q	93.4	Very high	91.7	Very high	90 Å²	90	69.5 Å²	69.5	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-43.5	176.4	-170.1	177.4	31.3	0	0	111.8	S545 D546 L547 K552 W553	S545-Q549 PolarHBondContact O-N 3.37Å; D546-Q549 WeakPolarHBondContact O-CB 3.5Å; D546-Q549 PolarHBondContact O-N 3.28Å; L547-Q549 VanDerWaalsContact C-N 3.25Å; L547-Q549 PolarHBondContact O-N 3.17Å; Q549-K552 PolarHBondContact O-N 3Å; Q549-W553 WeakPolarHBondContact O-CB 3.45Å; Q549-W553 PolarHBondContact O-N 2.88Å
550	Y	94.5	Very high	91.4	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-41	175.6	-67.9	-70.8	0	0	0	112.2	F327 G328 P329 N433 P435 Y451 D546 L547 W553 N554	F327-Y550 HydrophobicContact CD2-CD1 4.47Å; G328-Y550 VanDerWaalsContact C-CE1 3.47Å; P329-Y550 HydrophobicContact CB-CD2 4.49Å; P329-Y550 HydrophobicContact CB-CE2 3.92Å; P329-Y550 HydrophobicContact CG-CE2 4.42Å; N433-Y550 WeakPolarHBondContact O-CE1 3.41Å; N433-Y550 PolarHBondContact O-OH 3.44Å; P435-Y550 HydrophobicContact CG-CD1 4.1Å; P435-Y550 HydrophobicContact CG-CE1 4.19Å; Y451-Y550 HydrophobicContact CE2-CD1 4.47Å; Y451-Y550 HydrophobicContact CE2-CG 4.11Å; D546-Y550 WeakPolarHBondContact O-CD2 3.36Å; D546-Y550 PolarHBondContact O-N 3.45Å; L547-Y550 PolarHBondContact O-N 3.32Å; Y550-W553 PolarHBondContact O-N 3.3Å; Y550-N554 WeakPolarHBondContact O-CB 3.39Å; Y550-N554 PolarHBondContact O-N 3.05Å
551	L	93.4	Very high	90.6	Very high	90 Å²	90	70.7 Å²	70.7	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-65.2	-42.9	178.5	-67.3	177.5	0	0	0	111.7	Y451 L547 E548 W553 N554 S555	Y451-L551 HydrophobicContact CE1-CD2 3.8Å; L547-L551 WeakPolarHBondContact O-CG 3.37Å; L547-L551 PolarHBondContact O-N 3.17Å; E548-L551 PolarHBondContact O-N 3.28Å; L551-W553 VanDerWaalsContact C-N 3.34Å; L551-W553 PolarHBondContact O-N 3.48Å; L551-N554 PolarHBondContact O-N 3.39Å; L551-S555 WeakPolarHBondContact O-CB 3.47Å; L551-S555 PolarHBondContact O-N 3.02Å
552	K	95.1	Very high	89.5	Confident	157 Å²	157	73 Å²	73	68%	0.683	39%	0.394	S	S	*	.	H	α-helix	trans	-61	-44.3	174.3	-174.6	177.6	179.4	179.3	0	111.3	E548 Q549 S555 Q556	E548-K552 WeakPolarHBondContact O-CB 3.43Å; E548-K552 PolarHBondContact O-N 3.4Å; Q549-K552 PolarHBondContact O-N 3Å; K552-S555 PolarHBondContact O-N 3.14Å; K552-Q556 PolarHBondContact O-N 2.64Å; K552-Q556 VanDerWaalsContact O-N 3.11Å
553	W	94.7	Very high	89.7	Confident	16 Å²	16	75.7 Å²	75.7	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-40.8	176.9	-165.5	101.5	0	0	0	111.8	L325 F327 P435 Q549 Y550 L551 Q556 Y557	L325-W553 HydrophobicContact CD2-CH2 3.85Å; F327-W553 HydrophobicContact CD1-CE3 4.36Å; F327-W553 HydrophobicContact CD1-CH2 4.39Å; F327-W553 AromaticContact CD1-CZ3 3.69Å; F327-W553 HydrophobicContact CD1-CZ3 3.69Å; F327-W553 AromaticContact CD2-CE3 3.81Å; F327-W553 HydrophobicContact CD2-CE3 3.81Å; F327-W553 AromaticContact CD2-CZ3 3.96Å; F327-W553 HydrophobicContact CD2-CZ3 3.96Å; F327-W553 AromaticContact CE1-CE3 3.96Å; F327-W553 HydrophobicContact CE1-CE3 3.96Å; F327-W553 HydrophobicContact CE1-CH2 4.41Å; F327-W553 AromaticContact CE1-CZ3 3.39Å; F327-W553 HydrophobicContact CE1-CZ3 3.39Å; F327-W553 HydrophobicContact CE2-CD2 4.39Å; F327-W553 AromaticContact CE2-CE3 3.34Å; F327-W553 HydrophobicContact CE2-CE3 3.34Å; F327-W553 AromaticContact CE2-CZ3 3.67Å; F327-W553 HydrophobicContact CE2-CZ3 3.67Å; F327-W553 HydrophobicContact CG-CE3 4.28Å; F327-W553 AromaticContact CG-CZ3 3.95Å; F327-W553 HydrophobicContact CG-CZ3 3.95Å; F327-W553 AromaticContact CZ-CE3 3.4Å; F327-W553 HydrophobicContact CZ-CE3 3.4Å; F327-W553 AromaticContact CZ-CZ3 3.35Å; F327-W553 HydrophobicContact CZ-CZ3 3.35Å; P435-W553 VanDerWaalsContact C-NE1 3.35Å; P435-W553 HydrophobicContact CB-CD2 3.73Å; P435-W553 HydrophobicContact CB-CE3 4.11Å; P435-W553 HydrophobicContact CB-CG 4.23Å; P435-W553 HydrophobicContact CB-CH2 4.09Å; P435-W553 HydrophobicContact CB-CZ2 3.7Å; P435-W553 HydrophobicContact CB-CZ3 4.29Å; P435-W553 HydrophobicContact CG-CD2 4.03Å; P435-W553 HydrophobicContact CG-CE3 4.44Å; P435-W553 HydrophobicContact CG-CG 4.09Å; P435-W553 PolarHBondContact O-NE1 3.05Å; Q549-W553 WeakPolarHBondContact O-CB 3.45Å; Q549-W553 PolarHBondContact O-N 2.88Å; Y550-W553 PolarHBondContact O-N 3.3Å; L551-W553 VanDerWaalsContact C-N 3.34Å; L551-W553 PolarHBondContact O-N 3.48Å; W553-Q556 PolarHBondContact O-N 3.13Å; W553-Y557 AromaticContact CD1-CD2 3.79Å; W553-Y557 AromaticContact CD2-CD2 3.88Å; W553-Y557 HydrophobicContact CD2-CD2 3.88Å; W553-Y557 HydrophobicContact CD2-CG 4.49Å; W553-Y557 AromaticContact CE2-CD2 3.53Å; W553-Y557 HydrophobicContact CG-CD2 4.03Å; W553-Y557 HydrophobicContact CZ2-CD2 4.06Å; W553-Y557 HydrophobicContact CZ2-CG 4.25Å; W553-Y557 AromaticContact NE1-CD2 3.49Å; W553-Y557 AromaticContact NE1-CE2 3.96Å; W553-Y557 PolarHBondContact O-N 3.42Å
554	N	95.5	Very high	89.8	Confident	13 Å²	13	77.2 Å²	77.2	7%	0.07	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-43.1	176.4	-172	55.7	0	0	0	111.5	F327 Y451 Y550 L551 Q556 G558 F560	F327-N554 HydrophobicContact CE2-CB 4.16Å; F327-N554 HydrophobicContact CZ-CB 3.93Å; F327-N554 WeakPolarHBondContact CZ-OD1 3.49Å; Y451-N554 WeakPolarHBondContact CB-OD1 3.18Å; Y451-N554 HydrophobicContact CG-CB 4.42Å; Y550-N554 WeakPolarHBondContact O-CB 3.39Å; Y550-N554 PolarHBondContact O-N 3.05Å; L551-N554 PolarHBondContact O-N 3.39Å; N554-Q556 VanDerWaalsContact C-N 3.25Å; N554-Q556 PolarHBondContact O-N 3.11Å; N554-G558 WeakPolarHBondContact O-CA 3.23Å; N554-G558 PolarHBondContact O-N 2.9Å; N554-G558 WeakPolarHBondContact OD1-CA 3.24Å; N554-F560 PolarHBondContact ND2-O 3.43Å; N554-F560 PolarHBondContact OD1-O 3.06Å
555	S	94.6	Very high	90	Very high	99 Å²	99	76.3 Å²	76.3	69%	0.692	40%	0.4	S	S	*	.	H	α-helix	trans	-61.5	-34.4	175	177.2	0	0	0	0	112.5	L551 K552	L551-S555 WeakPolarHBondContact O-CB 3.47Å; L551-S555 PolarHBondContact O-N 3.02Å; K552-S555 PolarHBondContact O-N 3.14Å
556	Q	93.4	Very high	90.1	Very high	120 Å²	120	76.6 Å²	76.6	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-84.2	-38	-178	-170	175.5	3.7	0	0	113.8	K552 W553 N554	K552-Q556 PolarHBondContact O-N 2.64Å; K552-Q556 VanDerWaalsContact O-N 3.11Å; W553-Q556 PolarHBondContact O-N 3.13Å; N554-Q556 VanDerWaalsContact C-N 3.25Å; N554-Q556 PolarHBondContact O-N 3.11Å
557	Y	93.9	Very high	90.2	Very high	62 Å²	62	77.4 Å²	77.4	24%	0.243	40%	0.398	C	S	.	.	H	α-helix	trans	-131.2	-14.9	-168.7	-60.4	-60.2	0	0	0	114.7	R449 W553	R449-Y557 WeakPolarHBondContact CD-O 3.39Å; R449-Y557 PolarHBondContact NH1-O 3.03Å; W553-Y557 AromaticContact CD1-CD2 3.79Å; W553-Y557 AromaticContact CD2-CD2 3.88Å; W553-Y557 HydrophobicContact CD2-CD2 3.88Å; W553-Y557 HydrophobicContact CD2-CG 4.49Å; W553-Y557 AromaticContact CE2-CD2 3.53Å; W553-Y557 HydrophobicContact CG-CD2 4.03Å; W553-Y557 HydrophobicContact CZ2-CD2 4.06Å; W553-Y557 HydrophobicContact CZ2-CG 4.25Å; W553-Y557 AromaticContact NE1-CD2 3.49Å; W553-Y557 AromaticContact NE1-CE2 3.96Å; W553-Y557 PolarHBondContact O-N 3.42Å
558	G	93.1	Very high	90.1	Very high	24 Å²	24	79.9 Å²	79.9	25%	0.247	41%	0.41	C	S	.	.			trans	-65	154.5	178.7	0	0	0	0	0	112.3	N554	N554-G558 WeakPolarHBondContact O-CA 3.23Å; N554-G558 PolarHBondContact O-N 2.9Å; N554-G558 WeakPolarHBondContact OD1-CA 3.24Å
559	S	89.1	Confident	90	Very high	42 Å²	42	76.4 Å²	76.4	29%	0.294	40%	0.396	S	S	.	.	S	Bend	trans	-90.2	-12.6	177.8	-61.3	0	0	0	0	113.4	R449	R449-S559 PolarHBondContact N-OG 2.98Å; R449-S559 WeakPolarHBondContact O-CB 3.49Å; R449-S559 PolarHBondContact O-N 3.25Å
560	F	87.1	Confident	89.7	Confident	42 Å²	42	75.3 Å²	75.3	18%	0.184	39%	0.394	C	S	.	.	S	Bend	trans	-142.3	135.7	-172.4	-51.5	-82.1	0	0	0	110.1	F295 T299 I303 K448 L450 N554	F295-F560 HydrophobicContact CE1-CB 3.68Å; F295-F560 HydrophobicContact CE1-CD1 4.39Å; F295-F560 HydrophobicContact CE1-CG 4.14Å; F295-F560 HydrophobicContact CZ-CB 3.92Å; F295-F560 HydrophobicContact CZ-CD1 4.07Å; F295-F560 HydrophobicContact CZ-CG 4.25Å; T299-F560 HydrophobicContact CG2-CD1 4.2Å; T299-F560 HydrophobicContact CG2-CD2 4.15Å; T299-F560 HydrophobicContact CG2-CE1 3.57Å; T299-F560 HydrophobicContact CG2-CE2 3.52Å; T299-F560 HydrophobicContact CG2-CG 4.47Å; T299-F560 HydrophobicContact CG2-CZ 3.2Å; I303-F560 HydrophobicContact CD1-CZ 4.19Å; K448-F560 HydrophobicContact CD-CE2 4.43Å; K448-F560 HydrophobicContact CD-CZ 4.17Å; L450-F560 HydrophobicContact CD1-CD2 3.8Å; L450-F560 HydrophobicContact CD1-CE2 4.26Å; N554-F560 PolarHBondContact ND2-O 3.43Å; N554-F560 PolarHBondContact OD1-O 3.06Å
561	E	76.1	Confident	89.3	Confident	176 Å²	176	80 Å²	80	82%	0.822	42%	0.421	S	S	*	.			trans	-73.9	138.2	167.5	-65.4	-179.4	171.1	0	0	108.6
562	V	65.5	Low	88.9	Confident	119 Å²	119	79.1 Å²	79.1	72%	0.721	42%	0.416	S	S	*	.			trans	-109.5	0	-175.9	173	0	0	0	0	110.3	Y451 P453	Y451-V562 HydrophobicContact CD1-CB 4.03Å; Y451-V562 HydrophobicContact CD1-CG1 4.16Å; Y451-V562 HydrophobicContact CD1-CG2 3.69Å; Y451-V562 HydrophobicContact CE1-CG1 4.41Å; Y451-V562 HydrophobicContact CG-CG2 4.39Å; P453-V562 HydrophobicContact CB-CG1 4.44Å; P453-V562 HydrophobicContact CG-CG1 4.1Å

Retrieved 562 of 562 residues in 186.9 ms (Link to these results)

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