A0A087XNE5_POEFO Loading...

Zinc finger and BTB domain containing 48

AlphaFold DB , UniProt , Accession A0A087XNE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 696 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	29.7	Very low	39.7	Very low	234 Å²	234	122.8 Å²	122.8	100%	1.153	70%	0.697	S	S	*	*				0	98.8	0	-67.6	-50.3	-161.7	0	0	111
2	P	34.6	Very low	40	Very low	139 Å²	139	117.1 Å²	117.1	90%	0.903	67%	0.666	S	S	*	*			trans	-82.9	130.4	172.6	32.8	-31.1	0	0	0	111
3	G	35.7	Very low	40.3	Very low	78 Å²	78	114.2 Å²	114.2	80%	0.804	65%	0.647	S	S	*	*			trans	-164.2	18.8	-176.1	0	0	0	0	0	117.1
4	A	34.9	Very low	40.6	Very low	84 Å²	84	110.7 Å²	110.7	69%	0.694	63%	0.634	S	S	*	*	S	Bend	trans	-120.9	-21.1	-167.9	0	0	0	0	0	116.5
5	Q	39.8	Very low	40.6	Very low	157 Å²	157	107 Å²	107	73%	0.734	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-85.4	-17.9	-166.9	-64.9	-160.1	22.4	0	0	115.6	S7	Q5-S7 VanDerWaalsContact C-N 3.28Å; Q5-S7 PolarHBondContact O-N 3.5Å
6	T	47.7	Very low	40.7	Very low	104 Å²	104	104.9 Å²	104.9	64%	0.638	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-71.5	-16.9	-174.3	51.6	0	0	0	0	114.6	H8 H10	T6-H8 VanDerWaalsContact C-N 3.34Å; T6-H8 PolarHBondContact O-N 3.31Å; T6-H10 WeakPolarHBondContact O-CB 3.16Å; T6-H10 PolarHBondContact O-N 3Å; T6-H10 VanDerWaalsContact O-N 3.14Å
7	S	48	Very low	41	Very low	54 Å²	54	103.4 Å²	103.4	38%	0.378	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-70	-17.6	-164.2	77	0	0	0	0	116.4	Q5 R11	Q5-S7 VanDerWaalsContact C-N 3.28Å; Q5-S7 PolarHBondContact O-N 3.5Å; S7-R11 WeakPolarHBondContact O-CD 3.23Å; S7-R11 WeakPolarHBondContact O-CG 2.95Å; S7-R11 PolarHBondContact O-NE 3.21Å
8	H	40.8	Very low	41.3	Very low	137 Å²	137	103.1 Å²	103.1	63%	0.634	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-50.4	175.6	-165.1	-21.7	0	0	0	112.1	T6 H10 R11 V12	T6-H8 VanDerWaalsContact C-N 3.34Å; T6-H8 PolarHBondContact O-N 3.31Å; H8-H10 VanDerWaalsContact C-N 3.34Å; H8-H10 PolarHBondContact O-N 3.23Å; H8-R11 PolarHBondContact O-N 3.48Å; H8-R11 VanDerWaalsContact O-N 3.14Å; H8-V12 PolarHBondContact O-N 2.05Å
9	A	37.3	Very low	41.5	Very low	54 Å²	54	103.7 Å²	103.7	45%	0.446	58%	0.582	S	S	.	*	H	α-helix	trans	-57.8	-48.1	178	0	0	0	0	0	110.7	R11 V12 L13	A9-R11 PolarHBondContact O-N 2.35Å; A9-R11 VanDerWaalsContact O-N 3.17Å; A9-V12 PolarHBondContact O-N 3.09Å; A9-L13 WeakPolarHBondContact O-CG 3.43Å; A9-L13 PolarHBondContact O-N 3.09Å
10	H	43.4	Very low	41.5	Very low	135 Å²	135	106.2 Å²	106.2	63%	0.625	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-23	179.8	-151.1	-55.5	0	0	0	113.6	T6 H8 S14	T6-H10 WeakPolarHBondContact O-CB 3.16Å; T6-H10 PolarHBondContact O-N 3Å; T6-H10 VanDerWaalsContact O-N 3.14Å; H8-H10 VanDerWaalsContact C-N 3.34Å; H8-H10 PolarHBondContact O-N 3.23Å; H10-S14 WeakPolarHBondContact O-CB 3.49Å; H10-S14 PolarHBondContact O-N 3.44Å
11	R	44.3	Very low	41.5	Very low	175 Å²	175	105.6 Å²	105.6	66%	0.66	59%	0.591	S	S	*	*	H	α-helix	trans	-79.4	-34	170.8	-77	173.3	-168.9	154.6	5.5	112.8	S7 H8 A9 S15	S7-R11 WeakPolarHBondContact O-CD 3.23Å; S7-R11 WeakPolarHBondContact O-CG 2.95Å; S7-R11 PolarHBondContact O-NE 3.21Å; H8-R11 PolarHBondContact O-N 3.48Å; H8-R11 VanDerWaalsContact O-N 3.14Å; A9-R11 PolarHBondContact O-N 2.35Å; A9-R11 VanDerWaalsContact O-N 3.17Å; R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.28Å
12	V	44.1	Very low	42.1	Very low	54 Å²	54	97.2 Å²	97.2	33%	0.327	56%	0.559	S	S	.	*	H	α-helix	trans	-69.4	-50.9	174.2	173.3	0	0	0	0	109.5	H8 A9 S14 S15 L16	H8-V12 PolarHBondContact O-N 2.05Å; A9-V12 PolarHBondContact O-N 3.09Å; V12-S14 VanDerWaalsContact C-N 3.32Å; V12-S14 PolarHBondContact O-N 3.22Å; V12-S15 CarbonylContact O-C 3.58Å; V12-S15 WeakPolarHBondContact O-CB 3.02Å; V12-S15 PolarHBondContact O-N 2.92Å; V12-L16 HydrophobicContact CG1-CD1 3.89Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CG 3.36Å; V12-L16 PolarHBondContact O-N 2.39Å
13	L	42.9	Very low	42.4	Very low	80 Å²	80	93.8 Å²	93.8	42%	0.419	55%	0.549	S	S	.	.	H	α-helix	trans	-59.5	-38.8	175.2	-65.9	169.2	0	0	0	112.5	A9 L16 N17	A9-L13 WeakPolarHBondContact O-CG 3.43Å; A9-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.07Å; L13-N17 WeakPolarHBondContact O-CB 3.41Å; L13-N17 PolarHBondContact O-N 3.5Å; L13-N17 PolarHBondContact O-ND2 2.92Å; L13-N17 VanDerWaalsContact O-ND2 3.16Å
14	S	44.6	Very low	42.9	Very low	65 Å²	65	99.5 Å²	99.5	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-40	172.6	177.3	0	0	0	0	112.4	H10 V12 Q18	H10-S14 WeakPolarHBondContact O-CB 3.49Å; H10-S14 PolarHBondContact O-N 3.44Å; V12-S14 VanDerWaalsContact C-N 3.32Å; V12-S14 PolarHBondContact O-N 3.22Å; S14-Q18 VanDerWaalsContact O-CB 3.3Å; S14-Q18 WeakPolarHBondContact O-CB 3.39Å; S14-Q18 PolarHBondContact O-N 3.1Å
15	S	41.1	Very low	43.5	Very low	55 Å²	55	101.9 Å²	101.9	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-68.7	-32.9	176	-167.8	0	0	0	0	112.8	R11 V12 Q19	R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.28Å; V12-S15 CarbonylContact O-C 3.58Å; V12-S15 WeakPolarHBondContact O-CB 3.02Å; V12-S15 PolarHBondContact O-N 2.92Å; S15-Q19 WeakPolarHBondContact O-CG 3.34Å; S15-Q19 PolarHBondContact O-N 3.16Å
16	L	42.2	Very low	43.6	Very low	74 Å²	74	96.3 Å²	96.3	39%	0.387	52%	0.519	S	S	.	.	H	α-helix	trans	-72.4	-45.4	174.8	-71.7	167.6	0	0	0	111	V12 L13 Q18 Q19 R20	V12-L16 HydrophobicContact CG1-CD1 3.89Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CG 3.36Å; V12-L16 PolarHBondContact O-N 2.39Å; L13-L16 PolarHBondContact O-N 3.07Å; L16-Q18 PolarHBondContact O-N 3.13Å; L16-Q19 CarbonylContact O-C 3.44Å; L16-Q19 WeakPolarHBondContact O-CA 3.47Å; L16-Q19 WeakPolarHBondContact O-CB 3.4Å; L16-Q19 PolarHBondContact O-N 3.22Å; L16-R20 PolarHBondContact O-N 2.96Å
17	N	45.9	Very low	43.6	Very low	78 Å²	78	94.4 Å²	94.4	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-29.3	172.5	-80.6	-55.7	0	0	0	112.6	L13 Q19 R20 A21	L13-N17 WeakPolarHBondContact O-CB 3.41Å; L13-N17 PolarHBondContact O-N 3.5Å; L13-N17 PolarHBondContact O-ND2 2.92Å; L13-N17 VanDerWaalsContact O-ND2 3.16Å; N17-Q19 VanDerWaalsContact C-N 3.3Å; N17-Q19 PolarHBondContact O-N 3.1Å; N17-R20 WeakPolarHBondContact O-CB 3.23Å; N17-R20 PolarHBondContact O-N 2.9Å; N17-R20 VanDerWaalsContact OD1-CD 3.24Å; N17-R20 WeakPolarHBondContact OD1-CD 3.43Å; N17-R20 PolarHBondContact OD1-NH1 2.83Å; N17-A21 PolarHBondContact O-N 3.42Å
18	Q	47	Very low	43.6	Very low	99 Å²	99	91.9 Å²	91.9	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-71	-22.2	171	-173.6	166.7	71.9	0	0	113.1	S14 L16	S14-Q18 VanDerWaalsContact O-CB 3.3Å; S14-Q18 WeakPolarHBondContact O-CB 3.39Å; S14-Q18 PolarHBondContact O-N 3.1Å; L16-Q18 PolarHBondContact O-N 3.13Å
19	Q	44.1	Very low	44	Very low	114 Å²	114	86.4 Å²	86.4	53%	0.533	46%	0.464	S	S	.	.	H	α-helix	trans	-85.7	-36.3	170.8	-72.1	170.3	-23.6	0	0	112	S15 L16 N17 A21 A22 G23	S15-Q19 WeakPolarHBondContact O-CG 3.34Å; S15-Q19 PolarHBondContact O-N 3.16Å; L16-Q19 CarbonylContact O-C 3.44Å; L16-Q19 WeakPolarHBondContact O-CA 3.47Å; L16-Q19 WeakPolarHBondContact O-CB 3.4Å; L16-Q19 PolarHBondContact O-N 3.22Å; N17-Q19 VanDerWaalsContact C-N 3.3Å; N17-Q19 PolarHBondContact O-N 3.1Å; Q19-A21 PolarHBondContact O-N 3.44Å; Q19-A22 WeakPolarHBondContact O-CA 3.33Å; Q19-A22 WeakPolarHBondContact O-CB 3.41Å; Q19-A22 PolarHBondContact O-N 2.88Å; Q19-G23 PolarHBondContact O-N 3.12Å
20	R	41.9	Very low	44.5	Very low	154 Å²	154	84.6 Å²	84.6	58%	0.581	45%	0.446	S	S	*	.	H	α-helix	trans	-53.6	-49.7	170.2	-170.6	-175.8	-173.7	179.4	3.3	111.1	L16 N17 A22 G23	L16-R20 PolarHBondContact O-N 2.96Å; N17-R20 WeakPolarHBondContact O-CB 3.23Å; N17-R20 PolarHBondContact O-N 2.9Å; N17-R20 VanDerWaalsContact OD1-CD 3.24Å; N17-R20 WeakPolarHBondContact OD1-CD 3.43Å; N17-R20 PolarHBondContact OD1-NH1 2.83Å; R20-A22 PolarHBondContact O-N 3.43Å; R20-A22 VanDerWaalsContact O-N 3.09Å; R20-G23 PolarHBondContact O-N 3.18Å; R20-G23 VanDerWaalsContact O-N 3.13Å
21	A	41.2	Very low	44.7	Very low	94 Å²	94	79.8 Å²	79.8	78%	0.777	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.5	175.3	0	0	0	0	0	114.8	N17 Q19	N17-A21 PolarHBondContact O-N 3.42Å; Q19-A21 PolarHBondContact O-N 3.44Å
22	A	41.9	Very low	45	Very low	57 Å²	57	72 Å²	72	47%	0.471	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.8	175.8	0	0	0	0	0	113.8	Q19 R20 R24	Q19-A22 WeakPolarHBondContact O-CA 3.33Å; Q19-A22 WeakPolarHBondContact O-CB 3.41Å; Q19-A22 PolarHBondContact O-N 2.88Å; R20-A22 PolarHBondContact O-N 3.43Å; R20-A22 VanDerWaalsContact O-N 3.09Å; A22-R24 WeakPolarHBondContact O-CG 3.36Å
23	G	41.2	Very low	44.7	Very low	68 Å²	68	71.8 Å²	71.8	70%	0.701	41%	0.405	S	S	*	.			trans	60	48.5	163.1	0	0	0	0	0	116.6	Q19 R20	Q19-G23 PolarHBondContact O-N 3.12Å; R20-G23 PolarHBondContact O-N 3.18Å; R20-G23 VanDerWaalsContact O-N 3.13Å
24	R	46.9	Very low	44.7	Very low	197 Å²	197	75.3 Å²	75.3	74%	0.743	42%	0.424	S	S	*	.			trans	-138.9	-13.8	-172.9	-74.5	178	-149.5	-124.6	0.1	118.9	A22	A22-R24 WeakPolarHBondContact O-CG 3.36Å
25	F	46.6	Very low	44.7	Very low	134 Å²	134	75.2 Å²	75.2	59%	0.588	43%	0.433	S	S	*	.			trans	-148.9	61.4	-164.8	-59.2	-69.4	0	0	0	113.5
26	C	42.8	Very low	44.8	Very low	40 Å²	40	75.8 Å²	75.8	27%	0.27	43%	0.434	S	S	.	.			trans	-136.1	98.7	175.1	-63	0	0	0	0	108.6	Q39 H62	C26-Q39 HydrophobicContact CB-CB 4.23Å; C26-Q39 HydrophobicContact CB-CG 4.34Å; C26-H62 PolarHBondContact O-CE1 3.04Å; C26-H62 VanDerWaalsContact O-CE1 3.25Å
27	D	47.9	Very low	44.8	Very low	65 Å²	65	77 Å²	77	35%	0.348	44%	0.441	S	S	.	.			trans	-99.2	-28.7	-169.6	-53.8	-35.1	0	0	0	112.1	A40 C42 H62	D27-A40 PolarHBondContact N-O 2.97Å; D27-C42 HydrophobicContact CB-CB 4.34Å; D27-C42 VanDerWaalsContact CB-SG 3.51Å; D27-H62 WeakPolarHBondContact O-CA 3.33Å; D27-H62 PolarHBondContact O-ND1 3.08Å; D27-H62 VanDerWaalsContact O-ND1 3.09Å
28	A	47.3	Very low	45.1	Very low	0 Å²	0	76.9 Å²	76.9	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.8	-177.9	0	0	0	0	0	112.6	A40 L45 T63	A28-A40 PolarHBondContact N-O 2.9Å; A28-A40 PolarHBondContact O-N 3.27Å; A28-L45 HydrophobicContact CB-CD1 3.42Å; A28-L45 VanDerWaalsContact CB-CD1 3.42Å; A28-T63 WeakPolarHBondContact CA-O 3.47Å
29	V	48.7	Very low	45	Very low	23 Å²	23	77.5 Å²	77.5	14%	0.139	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.6	-176.6	180	0	0	0	0	108.9	L37 Q39 T63 E64 F65	V29-L37 HydrophobicContact CG1-CD2 3.49Å; V29-L37 VanDerWaalsContact CG1-CD2 3.49Å; V29-Q39 HydrophobicContact CG2-CG 4.21Å; V29-T63 PolarHBondContact N-O 3.23Å; V29-E64 HydrophobicContact CB-CG 4.29Å; V29-E64 HydrophobicContact CG1-CG 4.21Å; V29-E64 CarbonylContact O-C 3.59Å; V29-E64 VanDerWaalsContact O-CA 3.3Å; V29-E64 WeakPolarHBondContact O-CA 3.49Å; V29-F65 PolarHBondContact O-N 3.38Å
30	L	49	Very low	45.3	Very low	16 Å²	16	73 Å²	73	8%	0.084	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.9	168.3	-49	178.6	0	0	0	108	Y38 L45 F65	L30-Y38 PolarHBondContact N-O 3.22Å; L30-Y38 PolarHBondContact O-N 3.4Å; L30-L45 HydrophobicContact CD2-CD2 4.42Å; L30-F65 HydrophobicContact CD2-CB 3.82Å; L30-F65 HydrophobicContact CD2-CD2 3.89Å; L30-F65 HydrophobicContact CD2-CG 4.14Å
31	N	48.1	Very low	45.8	Very low	33 Å²	33	68.5 Å²	68.5	18%	0.176	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.1	-179.9	-166.3	-21	0	0	0	108.6	G33 L37 E64 F65 L67	N31-G33 PolarHBondContact OD1-N 2.97Å; N31-L37 HydrophobicContact CB-CD2 4.06Å; N31-E64 HydrophobicContact CB-CG 4.28Å; N31-E64 PolarHBondContact ND2-OE1 3.14Å; N31-F65 PolarHBondContact N-O 3.33Å; N31-L67 PolarHBondContact O-N 3.03Å
32	L	49.6	Very low	46	Very low	13 Å²	13	66.2 Å²	66.2	7%	0.068	38%	0.384	C	S	.	.			trans	-111.1	11.1	-173.2	-71.3	166.4	0	0	0	113	D34 V36 Y38 L67 C70 L75	L32-D34 PolarHBondContact O-N 3.32Å; L32-V36 HydrophobicContact CD1-CB 4.44Å; L32-V36 HydrophobicContact CD1-CG1 4.41Å; L32-Y38 HydrophobicContact CD1-CD2 3.64Å; L32-Y38 HydrophobicContact CD1-CE2 3.62Å; L32-L67 HydrophobicContact CD2-CB 3.82Å; L32-C70 HydrophobicContact CD2-CB 4.12Å; L32-L75 HydrophobicContact CD2-CD1 4.23Å
33	G	38.6	Very low	45.9	Very low	48 Å²	48	69.2 Å²	69.2	50%	0.495	39%	0.392	S	S	.	.	S	Bend	trans	77.1	-45.6	-179.9	0	0	0	0	0	113.9	N31 G35	N31-G33 PolarHBondContact OD1-N 2.97Å; G33-G35 PolarHBondContact O-N 2.69Å
34	D	42.6	Very low	46.2	Very low	154 Å²	154	67.1 Å²	67.1	82%	0.824	37%	0.365	S	S	*	.	S	Bend	trans	-77.4	27.9	-178.7	-61.4	-27.7	0	0	0	113.6	L32 V36	L32-D34 PolarHBondContact O-N 3.32Å; D34-V36 PolarHBondContact O-N 3.32Å
35	G	44.3	Very low	46.2	Very low	63 Å²	63	59.3 Å²	59.3	65%	0.649	34%	0.338	S	S	*	.	S	Bend	trans	72.7	1.1	-179.4	0	0	0	0	0	115.9	G33 L37	G33-G35 PolarHBondContact O-N 2.69Å; G35-L37 PolarHBondContact O-N 3.06Å
36	V	42.9	Very low	45.9	Very low	67 Å²	67	55.1 Å²	55.1	41%	0.406	33%	0.328	S	S	.	.			trans	-86.9	105.1	179.7	-173.6	0	0	0	0	110.8	L32 D34 Y38	L32-V36 HydrophobicContact CD1-CB 4.44Å; L32-V36 HydrophobicContact CD1-CG1 4.41Å; D34-V36 PolarHBondContact O-N 3.32Å; V36-Y38 HydrophobicContact CG1-CD2 3.95Å; V36-Y38 HydrophobicContact CG1-CE2 3.49Å; V36-Y38 VanDerWaalsContact CG1-CE2 3.49Å
37	L	43.1	Very low	45.9	Very low	99 Å²	99	57.1 Å²	57.1	52%	0.518	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116	179.5	-76.8	158.7	0	0	0	112.1	V29 N31 G35	V29-L37 HydrophobicContact CG1-CD2 3.49Å; V29-L37 VanDerWaalsContact CG1-CD2 3.49Å; N31-L37 HydrophobicContact CB-CD2 4.06Å; G35-L37 PolarHBondContact O-N 3.06Å
38	Y	52	Low	45.7	Very low	76 Å²	76	54.7 Å²	54.7	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.7	174.3	-78	-85.2	0	0	0	111.1	L30 L32 V36	L30-Y38 PolarHBondContact N-O 3.22Å; L30-Y38 PolarHBondContact O-N 3.4Å; L32-Y38 HydrophobicContact CD1-CD2 3.64Å; L32-Y38 HydrophobicContact CD1-CE2 3.62Å; V36-Y38 HydrophobicContact CG1-CD2 3.95Å; V36-Y38 HydrophobicContact CG1-CE2 3.49Å; V36-Y38 VanDerWaalsContact CG1-CE2 3.49Å
39	Q	45.3	Very low	45.5	Very low	112 Å²	112	57.2 Å²	57.2	52%	0.523	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.4	170	-83.3	178	-29.8	0	0	111.1	C26 V29	C26-Q39 HydrophobicContact CB-CB 4.23Å; C26-Q39 HydrophobicContact CB-CG 4.34Å; V29-Q39 HydrophobicContact CG2-CG 4.21Å
40	A	49.5	Very low	45.1	Very low	19 Å²	19	63.3 Å²	63.3	16%	0.157	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.3	-179.6	0	0	0	0	0	111.5	D27 A28 L45	D27-A40 PolarHBondContact N-O 2.97Å; A28-A40 PolarHBondContact N-O 2.9Å; A28-A40 PolarHBondContact O-N 3.27Å; A40-L45 HydrophobicContact CB-CD1 4.46Å; A40-L45 HydrophobicContact CB-CG 4.33Å
41	H	52.5	Low	44.8	Very low	60 Å²	60	65.2 Å²	65.2	28%	0.278	39%	0.388	S	S	.	.			trans	-91.9	137.9	175.2	-172.3	-64.6	0	0	0	109.3	N43 V44 L45	H41-N43 VanDerWaalsContact C-N 3.29Å; H41-N43 VanDerWaalsContact CE1-CG 3.48Å; H41-N43 PolarHBondContact CE1-ND2 3.36Å; H41-N43 PolarHBondContact ND1-N 2.96Å; H41-N43 VanDerWaalsContact ND1-N 3.17Å; H41-N43 PolarHBondContact O-N 2.99Å; H41-V44 HydrophobicContact CB-CG2 4.27Å; H41-V44 WeakPolarHBondContact O-CB 3.48Å; H41-V44 PolarHBondContact O-N 3.22Å; H41-L45 PolarHBondContact O-N 2.84Å
42	C	44.7	Very low	44.6	Very low	47 Å²	47	67.2 Å²	67.2	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-55.8	-39.8	-176.1	-80.5	0	0	0	0	113.3	D27 V44 L45 A46	D27-C42 HydrophobicContact CB-CB 4.34Å; D27-C42 VanDerWaalsContact CB-SG 3.51Å; C42-V44 PolarHBondContact O-N 3.08Å; C42-L45 CarbonylContact O-C 3.56Å; C42-L45 WeakPolarHBondContact O-CA 3.45Å; C42-L45 PolarHBondContact O-N 3.27Å; C42-L45 VanDerWaalsContact O-N 3.09Å; C42-A46 WeakPolarHBondContact O-CB 3.08Å; C42-A46 PolarHBondContact O-N 2.88Å
43	N	40.5	Very low	44.1	Very low	120 Å²	120	75.6 Å²	75.6	64%	0.642	43%	0.434	S	S	*	.	H	α-helix	trans	-57.2	-16.6	172	-61.2	0.4	0	0	0	116.3	H41	H41-N43 VanDerWaalsContact C-N 3.29Å; H41-N43 VanDerWaalsContact CE1-CG 3.48Å; H41-N43 PolarHBondContact CE1-ND2 3.36Å; H41-N43 PolarHBondContact ND1-N 2.96Å; H41-N43 VanDerWaalsContact ND1-N 3.17Å; H41-N43 PolarHBondContact O-N 2.99Å
44	V	46.4	Very low	44.1	Very low	23 Å²	23	78.7 Å²	78.7	14%	0.139	44%	0.442	C	S	.	.	H	α-helix	trans	-88.8	-43.1	173.8	-179.7	0	0	0	0	109.5	H41 C42 A46 C47 F48 Y83	H41-V44 HydrophobicContact CB-CG2 4.27Å; H41-V44 WeakPolarHBondContact O-CB 3.48Å; H41-V44 PolarHBondContact O-N 3.22Å; C42-V44 PolarHBondContact O-N 3.08Å; V44-A46 PolarHBondContact O-N 3.28Å; V44-C47 WeakPolarHBondContact O-CB 3.49Å; V44-C47 PolarHBondContact O-N 3.37Å; V44-F48 WeakPolarHBondContact O-CD2 3.39Å; V44-Y83 HydrophobicContact CG1-CE1 4.5Å; V44-Y83 HydrophobicContact CG2-CE1 4.2Å; V44-Y83 WeakPolarHBondContact CG2-OH 3.27Å
45	L	48	Very low	43.7	Very low	33 Å²	33	76.7 Å²	76.7	17%	0.173	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-22	168.8	-62.4	178.3	0	0	0	112.1	A28 L30 A40 H41 C42 C47 F48 S49 F65	A28-L45 HydrophobicContact CB-CD1 3.42Å; A28-L45 VanDerWaalsContact CB-CD1 3.42Å; L30-L45 HydrophobicContact CD2-CD2 4.42Å; A40-L45 HydrophobicContact CB-CD1 4.46Å; A40-L45 HydrophobicContact CB-CG 4.33Å; H41-L45 PolarHBondContact O-N 2.84Å; C42-L45 CarbonylContact O-C 3.56Å; C42-L45 WeakPolarHBondContact O-CA 3.45Å; C42-L45 PolarHBondContact O-N 3.27Å; C42-L45 VanDerWaalsContact O-N 3.09Å; L45-C47 PolarHBondContact O-N 3.31Å; L45-F48 CarbonylContact O-C 3.3Å; L45-F48 VanDerWaalsContact O-C 3.3Å; L45-F48 VanDerWaalsContact O-CA 3.3Å; L45-F48 WeakPolarHBondContact O-CA 3.45Å; L45-F48 WeakPolarHBondContact O-CB 3.44Å; L45-F48 PolarHBondContact O-N 2.89Å; L45-S49 PolarHBondContact O-N 3.3Å; L45-F65 HydrophobicContact CD1-CE2 4.13Å
46	A	40.9	Very low	43.4	Very low	46 Å²	46	79.2 Å²	79.2	38%	0.38	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.8	172.4	0	0	0	0	0	113.8	C42 V44 S49	C42-A46 WeakPolarHBondContact O-CB 3.08Å; C42-A46 PolarHBondContact O-N 2.88Å; V44-A46 PolarHBondContact O-N 3.28Å; A46-S49 WeakPolarHBondContact CA-OG 3.48Å; A46-S49 PolarHBondContact O-OG 3.35Å; A46-S49 VanDerWaalsContact O-OG 3.09Å
47	C	41.8	Very low	43	Very low	83 Å²	83	80.8 Å²	80.8	56%	0.561	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.6	163.4	-64.4	0	0	0	0	112.4	V44 L45	V44-C47 WeakPolarHBondContact O-CB 3.49Å; V44-C47 PolarHBondContact O-N 3.37Å; L45-C47 PolarHBondContact O-N 3.31Å
48	F	44.6	Very low	42.5	Very low	13 Å²	13	82.4 Å²	82.4	6%	0.057	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-5.1	175.4	-53.4	-100.2	0	0	0	112.5	V44 L45 D50 L51 F52 V82 V106	V44-F48 WeakPolarHBondContact O-CD2 3.39Å; L45-F48 CarbonylContact O-C 3.3Å; L45-F48 VanDerWaalsContact O-C 3.3Å; L45-F48 VanDerWaalsContact O-CA 3.3Å; L45-F48 WeakPolarHBondContact O-CA 3.45Å; L45-F48 WeakPolarHBondContact O-CB 3.44Å; L45-F48 PolarHBondContact O-N 2.89Å; F48-D50 PolarHBondContact O-N 3.45Å; F48-L51 HydrophobicContact CD1-CD1 4.44Å; F48-L51 WeakPolarHBondContact O-CA 3.22Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.91Å; F48-F52 HydrophobicContact CB-CD2 3.84Å; F48-F52 HydrophobicContact CB-CE2 3.61Å; F48-F52 HydrophobicContact CG-CE2 4.4Å; F48-F52 VanDerWaalsContact O-CD2 3.26Å; F48-F52 WeakPolarHBondContact O-CD2 3.35Å; F48-F52 PolarHBondContact O-N 2.64Å; F48-V82 HydrophobicContact CE2-CG2 4.46Å; F48-V82 HydrophobicContact CZ-CG2 3.95Å; F48-V106 HydrophobicContact CD1-CG2 4Å; F48-V106 HydrophobicContact CE1-CG2 3.74Å
49	S	41.6	Very low	41.8	Very low	53 Å²	53	84.8 Å²	84.8	37%	0.371	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-28.3	179.5	54.9	0	0	0	0	112.5	L45 A46 L51	L45-S49 PolarHBondContact O-N 3.3Å; A46-S49 WeakPolarHBondContact CA-OG 3.48Å; A46-S49 PolarHBondContact O-OG 3.35Å; A46-S49 VanDerWaalsContact O-OG 3.09Å; S49-L51 PolarHBondContact O-N 3.33Å
50	D	40.4	Very low	41.2	Very low	151 Å²	151	85.2 Å²	85.2	81%	0.807	50%	0.496	S	S	*	.	H	α-helix	trans	-72.9	-3.6	172.8	-61	-6.8	0	0	0	112.5	F48	F48-D50 PolarHBondContact O-N 3.45Å
51	L	43.1	Very low	40.8	Very low	57 Å²	57	92.5 Å²	92.5	30%	0.298	53%	0.527	S	S	.	.	H	α-helix	trans	-117.9	-12.6	-176	-60.6	173.7	0	0	0	114.2	F48 S49 P107	F48-L51 HydrophobicContact CD1-CD1 4.44Å; F48-L51 WeakPolarHBondContact O-CA 3.22Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.91Å; S49-L51 PolarHBondContact O-N 3.33Å; L51-P107 HydrophobicContact CD2-CG 3.85Å
52	F	44.6	Very low	40.4	Very low	74 Å²	74	96.5 Å²	96.5	33%	0.325	55%	0.546	S	S	.	.	H	α-helix	trans	-105.7	-6.7	-175.2	-78.9	-59.4	0	0	0	115.3	F48 V54 L104	F48-F52 HydrophobicContact CB-CD2 3.84Å; F48-F52 HydrophobicContact CB-CE2 3.61Å; F48-F52 HydrophobicContact CG-CE2 4.4Å; F48-F52 VanDerWaalsContact O-CD2 3.26Å; F48-F52 WeakPolarHBondContact O-CD2 3.35Å; F48-F52 PolarHBondContact O-N 2.64Å; F52-V54 PolarHBondContact O-N 3.27Å; F52-L104 HydrophobicContact CZ-CD2 4.15Å
53	E	38.3	Very low	40.3	Very low	190 Å²	190	96.7 Å²	96.7	89%	0.888	55%	0.545	S	S	*	.			trans	52.5	-5.7	-176.6	-66.3	-157	142.1	0	0	117.9	S55	E53-S55 PolarHBondContact O-N 2.89Å
54	V	39.2	Very low	40.4	Very low	112 Å²	112	96.5 Å²	96.5	68%	0.679	54%	0.541	S	S	*	.			trans	-76.1	115.7	179.1	177.7	0	0	0	0	111.3	F52 I56	F52-V54 PolarHBondContact O-N 3.27Å; V54-I56 PolarHBondContact O-N 2.9Å
55	S	33	Very low	40.5	Very low	112 Å²	112	99.1 Å²	99.1	78%	0.783	55%	0.55	S	S	*	*			trans	-71.7	89.6	173.5	-68.8	0	0	0	0	111.9	E53 S57	E53-S55 PolarHBondContact O-N 2.89Å; S55-S57 PolarHBondContact O-N 3.24Å; S55-S57 VanDerWaalsContact O-N 3.15Å
56	I	38.9	Very low	40.3	Very low	116 Å²	116	103.2 Å²	103.2	60%	0.595	57%	0.572	S	S	*	*			trans	-60.6	115.6	175.5	-54.5	177.5	0	0	0	109.7	V54	V54-I56 PolarHBondContact O-N 2.9Å
57	S	35	Very low	40.7	Very low	100 Å²	100	102.2 Å²	102.2	70%	0.699	56%	0.56	S	S	*	*			trans	-118.5	129.9	175.3	52.9	0	0	0	0	110.7	S55	S55-S57 PolarHBondContact O-N 3.24Å; S55-S57 VanDerWaalsContact O-N 3.15Å
58	N	32.1	Very low	40.7	Very low	133 Å²	133	106.7 Å²	106.7	71%	0.711	57%	0.573	S	S	*	*			trans	68.5	124.9	-169.4	-57.8	-40.6	0	0	0	115.9	T60	N58-T60 PolarHBondContact O-N 3.3Å
59	P	36.4	Very low	40.9	Very low	126 Å²	126	109 Å²	109	82%	0.818	60%	0.6	S	S	*	*	S	Bend	trans	-96.9	32.8	-178.2	40.7	-37.8	0	0	0	113.2
60	T	34.1	Very low	41.3	Very low	121 Å²	121	107 Å²	107	74%	0.742	59%	0.586	S	S	*	*	S	Bend	trans	-125.8	15.6	-167.8	56.3	0	0	0	0	114.6	N58	N58-T60 PolarHBondContact O-N 3.3Å
61	Q	40.5	Very low	42.1	Very low	172 Å²	172	101.1 Å²	101.1	80%	0.804	56%	0.556	S	S	*	*	S	Bend	trans	-133	140.9	168.8	-71.7	-178	-31.8	0	0	108.2	T63	Q61-T63 PolarHBondContact O-N 2.87Å
62	H	43.6	Very low	42.7	Very low	144 Å²	144	101.1 Å²	101.1	67%	0.667	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.2	175.6	-68.6	-63.3	0	0	0	109.5	C26 D27	C26-H62 PolarHBondContact O-CE1 3.04Å; C26-H62 VanDerWaalsContact O-CE1 3.25Å; D27-H62 WeakPolarHBondContact O-CA 3.33Å; D27-H62 PolarHBondContact O-ND1 3.08Å; D27-H62 VanDerWaalsContact O-ND1 3.09Å
63	T	43.1	Very low	43.3	Very low	51 Å²	51	100.9 Å²	100.9	31%	0.313	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.6	122.1	172.6	45.2	0	0	0	0	109.5	A28 V29 Q61	A28-T63 WeakPolarHBondContact CA-O 3.47Å; V29-T63 PolarHBondContact N-O 3.23Å; Q61-T63 PolarHBondContact O-N 2.87Å
64	E	42.6	Very low	44.4	Very low	117 Å²	117	91.8 Å²	91.8	55%	0.547	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.8	173.7	-168.6	162.8	-168.4	0	0	109.1	V29 N31	V29-E64 HydrophobicContact CB-CG 4.29Å; V29-E64 HydrophobicContact CG1-CG 4.21Å; V29-E64 CarbonylContact O-C 3.59Å; V29-E64 VanDerWaalsContact O-CA 3.3Å; V29-E64 WeakPolarHBondContact O-CA 3.49Å; N31-E64 HydrophobicContact CB-CG 4.28Å; N31-E64 PolarHBondContact ND2-OE1 3.14Å
65	F	48.2	Very low	45.6	Very low	78 Å²	78	86.6 Å²	86.6	34%	0.342	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.7	177.7	-63.5	-98.9	0	0	0	109.1	V29 L30 N31 L45 L67	V29-F65 PolarHBondContact O-N 3.38Å; L30-F65 HydrophobicContact CD2-CB 3.82Å; L30-F65 HydrophobicContact CD2-CD2 3.89Å; L30-F65 HydrophobicContact CD2-CG 4.14Å; N31-F65 PolarHBondContact N-O 3.33Å; L45-F65 HydrophobicContact CD1-CE2 4.13Å; F65-L67 PolarHBondContact O-N 2.95Å
66	D	43.3	Very low	47	Very low	118 Å²	118	86.3 Å²	86.3	63%	0.631	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	115.1	169.5	-83.8	-48.9	0	0	0	110.3
67	L	49.9	Very low	48.2	Very low	25 Å²	25	83.1 Å²	83.1	13%	0.131	46%	0.459	C	S	.	.			trans	-110.2	50.4	176.7	-69.1	172.3	0	0	0	110.1	N31 L32 F65 G69 C70 L75 L104	N31-L67 PolarHBondContact O-N 3.03Å; L32-L67 HydrophobicContact CD2-CB 3.82Å; F65-L67 PolarHBondContact O-N 2.95Å; L67-G69 PolarHBondContact O-N 2.86Å; L67-C70 HydrophobicContact CB-CB 4.14Å; L67-C70 VanDerWaalsContact O-CB 3.28Å; L67-C70 WeakPolarHBondContact O-CB 3.5Å; L67-C70 PolarHBondContact O-N 3.42Å; L67-C70 VanDerWaalsContact O-N 3.13Å; L67-L75 HydrophobicContact CD1-CD1 4.16Å; L67-L104 HydrophobicContact CD1-CD2 3.77Å; L67-L104 HydrophobicContact CD2-CD2 4.16Å
68	Q	42.8	Very low	49.5	Very low	178 Å²	178	78.7 Å²	78.7	83%	0.832	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	121.7	-176.1	-163.6	174.4	27.3	0	0	111.2
69	G	47.8	Very low	50.9	Low	60 Å²	60	74.4 Å²	74.4	62%	0.619	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	10.6	-178.3	0	0	0	0	0	116	L67 Q99	L67-G69 PolarHBondContact O-N 2.86Å; G69-Q99 PolarHBondContact O-NE2 2.87Å
70	C	49.9	Very low	52	Low	11 Å²	11	71.1 Å²	71.1	7%	0.074	38%	0.384	C	S	.	.			trans	-88.8	121.5	175.6	-165.5	0	0	0	0	111.7	L32 L67 S72	L32-C70 HydrophobicContact CD2-CB 4.12Å; L67-C70 HydrophobicContact CB-CB 4.14Å; L67-C70 VanDerWaalsContact O-CB 3.28Å; L67-C70 WeakPolarHBondContact O-CB 3.5Å; L67-C70 PolarHBondContact O-N 3.42Å; L67-C70 VanDerWaalsContact O-N 3.13Å; C70-S72 PolarHBondContact O-N 3.15Å
71	P	57	Low	53.4	Low	29 Å²	29	66.2 Å²	66.2	19%	0.188	35%	0.353	C	S	.	.			trans	-70.4	122.3	-174.1	27	-34.2	0	0	0	112.6	D73 G74 L75 K96 Q99	P71-D73 VanDerWaalsContact C-N 3.31Å; P71-D73 PolarHBondContact O-N 2.83Å; P71-G74 PolarHBondContact O-N 2.92Å; P71-G74 VanDerWaalsContact O-N 3.16Å; P71-L75 PolarHBondContact O-N 3.47Å; P71-K96 HydrophobicContact CB-CB 4.46Å; P71-K96 HydrophobicContact CG-CB 4.29Å; P71-Q99 HydrophobicContact CG-CB 4.22Å; P71-Q99 HydrophobicContact CG-CG 4.23Å
72	S	56.2	Low	54	Low	56 Å²	56	60.8 Å²	60.8	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-45.7	-49	-176.9	45.6	0	0	0	0	114	C70 G74 L75 E76	C70-S72 PolarHBondContact O-N 3.15Å; S72-G74 VanDerWaalsContact C-N 3.33Å; S72-G74 PolarHBondContact O-N 3.23Å; S72-L75 PolarHBondContact O-N 2.81Å; S72-E76 PolarHBondContact O-N 2.91Å
73	D	58.4	Low	54.4	Low	69 Å²	69	60 Å²	60	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-67.9	-37.3	-170.8	-37.5	-17	0	0	0	110.9	P71 L77 K96	P71-D73 VanDerWaalsContact C-N 3.31Å; P71-D73 PolarHBondContact O-N 2.83Å; D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.34Å; D73-L77 VanDerWaalsContact O-N 3.16Å; D73-K96 HydrophobicContact CB-CD 4.06Å; D73-K96 IonicContact OD2-NZ 2.68Å; D73-K96 PolarHBondContact OD2-NZ 3.16Å
74	G	61.1	Low	55	Low	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-38.7	175.6	0	0	0	0	0	111.7	P71 S72 L77 L78	P71-G74 PolarHBondContact O-N 2.92Å; P71-G74 VanDerWaalsContact O-N 3.16Å; S72-G74 VanDerWaalsContact C-N 3.33Å; S72-G74 PolarHBondContact O-N 3.23Å; G74-L77 PolarHBondContact O-N 3.08Å; G74-L78 VanDerWaalsContact O-CG 3.31Å; G74-L78 WeakPolarHBondContact O-CG 3.27Å; G74-L78 PolarHBondContact O-N 3.34Å
75	L	64	Low	55.5	Low	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-40	179	-164.7	151	0	0	0	111.9	L32 L67 P71 S72 L78 L79 A100 L104	L32-L75 HydrophobicContact CD2-CD1 4.23Å; L67-L75 HydrophobicContact CD1-CD1 4.16Å; P71-L75 PolarHBondContact O-N 3.47Å; S72-L75 PolarHBondContact O-N 2.81Å; L75-L78 PolarHBondContact O-N 3.42Å; L75-L79 HydrophobicContact CD2-CD1 3.62Å; L75-L79 HydrophobicContact CD2-CG 4.09Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.24Å; L75-A100 HydrophobicContact CB-CB 4.44Å; L75-L104 HydrophobicContact CD1-CD1 4.1Å; L75-L104 HydrophobicContact CG-CD1 4.13Å
76	E	62.4	Low	55.6	Low	106 Å²	106	55.5 Å²	55.5	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-41.5	173.2	-171.7	177.2	-171.3	0	0	111.6	S72 L78 L79 S80	S72-E76 PolarHBondContact O-N 2.91Å; E76-L78 PolarHBondContact O-N 3.12Å; E76-L79 PolarHBondContact O-N 2.85Å; E76-S80 VanDerWaalsContact O-CB 3.24Å; E76-S80 WeakPolarHBondContact O-CB 3.31Å; E76-S80 PolarHBondContact O-N 3.03Å
77	L	63.8	Low	56.4	Low	49 Å²	49	50.9 Å²	50.9	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-38.7	175.8	-73.5	170.3	0	0	0	112.6	D73 G74 S80 F81 N93 V97	D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.34Å; D73-L77 VanDerWaalsContact O-N 3.16Å; G74-L77 PolarHBondContact O-N 3.08Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 2.94Å; L77-F81 PolarHBondContact O-N 2.92Å; L77-N93 HydrophobicContact CD1-CB 4.04Å; L77-V97 HydrophobicContact CB-CG2 3.89Å; L77-V97 HydrophobicContact CD1-CG2 3.65Å; L77-V97 HydrophobicContact CG-CG2 4.43Å
78	L	62.5	Low	57	Low	6 Å²	6	55.2 Å²	55.2	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-43.8	175.4	-72.3	168.3	0	0	0	112.6	G74 L75 E76 S80 F81 V82 V97 A100 A101 L104 A109	G74-L78 VanDerWaalsContact O-CG 3.31Å; G74-L78 WeakPolarHBondContact O-CG 3.27Å; G74-L78 PolarHBondContact O-N 3.34Å; L75-L78 PolarHBondContact O-N 3.42Å; E76-L78 PolarHBondContact O-N 3.12Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.76Å; L78-F81 WeakPolarHBondContact O-CB 3.46Å; L78-F81 PolarHBondContact O-N 2.83Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.48Å; L78-V97 HydrophobicContact CD2-CG1 3.86Å; L78-V97 HydrophobicContact CG-CG1 4.1Å; L78-A100 HydrophobicContact CD1-CB 3.67Å; L78-A101 HydrophobicContact CD1-CB 3.93Å; L78-A101 HydrophobicContact CD2-CB 4.24Å; L78-L104 HydrophobicContact CD1-CD1 4.45Å; L78-A109 HydrophobicContact CD2-CB 3.56Å
79	L	62.1	Low	57.9	Low	43 Å²	43	47.8 Å²	47.8	23%	0.225	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-43	172.7	-71.3	176	0	0	0	110.9	L75 E76 F81 V82 Y83	L75-L79 HydrophobicContact CD2-CD1 3.62Å; L75-L79 HydrophobicContact CD2-CG 4.09Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.24Å; E76-L79 PolarHBondContact O-N 2.85Å; L79-F81 VanDerWaalsContact C-N 3.32Å; L79-F81 PolarHBondContact O-N 2.88Å; L79-V82 PolarHBondContact O-N 3.09Å; L79-Y83 WeakPolarHBondContact O-CD2 3.32Å; L79-Y83 PolarHBondContact O-N 3.43Å; L79-Y83 VanDerWaalsContact O-N 3.1Å
80	S	59.4	Low	58.9	Low	57 Å²	57	50 Å²	50	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-40.6	175	-171.9	0	0	0	0	112.1	E76 L77 L78 Y83 S84	E76-S80 VanDerWaalsContact O-CB 3.24Å; E76-S80 WeakPolarHBondContact O-CB 3.31Å; E76-S80 PolarHBondContact O-N 3.03Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 2.94Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.76Å; S80-Y83 PolarHBondContact O-N 2.76Å; S80-S84 WeakPolarHBondContact O-CB 3.25Å; S80-S84 PolarHBondContact O-N 3.24Å; S80-S84 PolarHBondContact O-OG 3.37Å
81	F	61.8	Low	59.7	Low	19 Å²	19	54.9 Å²	54.9	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-46.5	173.4	170	-126.7	0	0	0	112.4	L77 L78 L79 Y83 S84 G85 L87 L112	L77-F81 PolarHBondContact O-N 2.92Å; L78-F81 WeakPolarHBondContact O-CB 3.46Å; L78-F81 PolarHBondContact O-N 2.83Å; L79-F81 VanDerWaalsContact C-N 3.32Å; L79-F81 PolarHBondContact O-N 2.88Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.08Å; F81-S84 PolarHBondContact O-N 3.33Å; F81-G85 WeakPolarHBondContact O-CA 3.26Å; F81-G85 PolarHBondContact O-N 3.32Å; F81-L87 HydrophobicContact CB-CB 4Å; F81-L87 HydrophobicContact CB-CD1 3.78Å; F81-L87 HydrophobicContact CB-CG 4.44Å; F81-L87 HydrophobicContact CD1-CB 4.43Å; F81-L87 HydrophobicContact CD2-CB 3.63Å; F81-L87 HydrophobicContact CE2-CB 4.14Å; F81-L87 HydrophobicContact CG-CB 3.78Å; F81-L87 HydrophobicContact CG-CD1 4.28Å; F81-L87 HydrophobicContact CG-CG 4.48Å; F81-L112 HydrophobicContact CE1-CD1 4.23Å; F81-L112 HydrophobicContact CE2-CD1 4.41Å; F81-L112 HydrophobicContact CZ-CD1 3.78Å
82	V	55	Low	59.7	Low	58 Å²	58	60.1 Å²	60.1	35%	0.352	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-38.9	178	171.7	0	0	0	0	112	F48 L78 L79	F48-V82 HydrophobicContact CE2-CG2 4.46Å; F48-V82 HydrophobicContact CZ-CG2 3.95Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.48Å; L79-V82 PolarHBondContact O-N 3.09Å
83	Y	51.4	Low	60.1	Low	127 Å²	127	59.1 Å²	59.1	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-82.7	-28.5	178.7	-68.9	-63.7	0	0	0	115	V44 L79 S80 F81	V44-Y83 HydrophobicContact CG1-CE1 4.5Å; V44-Y83 HydrophobicContact CG2-CE1 4.2Å; V44-Y83 WeakPolarHBondContact CG2-OH 3.27Å; L79-Y83 WeakPolarHBondContact O-CD2 3.32Å; L79-Y83 PolarHBondContact O-N 3.43Å; L79-Y83 VanDerWaalsContact O-N 3.1Å; S80-Y83 PolarHBondContact O-N 2.76Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.08Å
84	S	56.1	Low	60.6	Low	51 Å²	51	56.6 Å²	56.6	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-100.5	-33.1	-173.6	67.9	0	0	0	0	114.4	S80 F81 E86	S80-S84 WeakPolarHBondContact O-CB 3.25Å; S80-S84 PolarHBondContact O-N 3.24Å; S80-S84 PolarHBondContact O-OG 3.37Å; F81-S84 PolarHBondContact O-N 3.33Å; S84-E86 PolarHBondContact OG-N 2.99Å; S84-E86 VanDerWaalsContact OG-N 3.16Å; S84-E86 PolarHBondContact OG-O 3.04Å
85	G	51.8	Low	60.6	Low	18 Å²	18	64 Å²	64	19%	0.186	33%	0.33	C	S	.	.	S	Bend	trans	80.8	10.5	-168.8	0	0	0	0	0	114.8	F81 R128	F81-G85 WeakPolarHBondContact O-CA 3.26Å; F81-G85 PolarHBondContact O-N 3.32Å; G85-R128 PolarHBondContact O-N 3.09Å
86	E	50.4	Low	60.8	Low	82 Å²	82	67.3 Å²	67.3	38%	0.383	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-131.8	109.7	-179.5	-58.1	-170.7	-173.3	0	0	110.6	S84 K127	S84-E86 PolarHBondContact OG-N 2.99Å; S84-E86 VanDerWaalsContact OG-N 3.16Å; S84-E86 PolarHBondContact OG-O 3.04Å; E86-K127 HydrophobicContact CG-CG 4.16Å; E86-K127 IonicContact OE1-NZ 2.81Å; E86-K127 PolarHBondContact OE1-NZ 2.89Å; E86-K127 IonicContact OE2-NZ 3.26Å; E86-K127 PolarHBondContact OE2-NZ 3.16Å
87	L	61.3	Low	60.9	Low	21 Å²	21	62.3 Å²	62.3	11%	0.11	32%	0.321	C	S	.	.			trans	-92.3	119.9	173.9	-174.4	65.3	0	0	0	108.7	F81 L89 V97 L112	F81-L87 HydrophobicContact CB-CB 4Å; F81-L87 HydrophobicContact CB-CD1 3.78Å; F81-L87 HydrophobicContact CB-CG 4.44Å; F81-L87 HydrophobicContact CD1-CB 4.43Å; F81-L87 HydrophobicContact CD2-CB 3.63Å; F81-L87 HydrophobicContact CE2-CB 4.14Å; F81-L87 HydrophobicContact CG-CB 3.78Å; F81-L87 HydrophobicContact CG-CD1 4.28Å; F81-L87 HydrophobicContact CG-CG 4.48Å; L87-L89 HydrophobicContact CD2-CD1 4.21Å; L87-L89 HydrophobicContact CD2-CD2 3.84Å; L87-L89 HydrophobicContact CD2-CG 3.95Å; L87-L89 HydrophobicContact CG-CD2 4.01Å; L87-L89 HydrophobicContact CG-CG 4.04Å; L87-V97 HydrophobicContact CD1-CG1 4.28Å; L87-V97 HydrophobicContact CD2-CG1 4.29Å; L87-L112 HydrophobicContact CD2-CB 4.45Å; L87-L112 HydrophobicContact CD2-CD1 4.36Å
88	K	60.8	Low	61.1	Low	116 Å²	116	62.3 Å²	62.3	50%	0.504	32%	0.32	S	S	.	.			trans	-90.4	103.2	171.7	-70.2	-174.8	176.4	-174.3	0	108.9
89	L	63.5	Low	61.1	Low	23 Å²	23	66.9 Å²	66.9	12%	0.12	34%	0.341	C	S	.	.			trans	-92.6	131.4	169.6	-65.5	178	0	0	0	109.4	L87 L94 V97 F116	L87-L89 HydrophobicContact CD2-CD1 4.21Å; L87-L89 HydrophobicContact CD2-CD2 3.84Å; L87-L89 HydrophobicContact CD2-CG 3.95Å; L87-L89 HydrophobicContact CG-CD2 4.01Å; L87-L89 HydrophobicContact CG-CG 4.04Å; L89-L94 HydrophobicContact CB-CD1 4.39Å; L89-L94 HydrophobicContact CD1-CD1 3.95Å; L89-L94 HydrophobicContact CD2-CD1 4.02Å; L89-L94 HydrophobicContact CG-CD1 4.34Å; L89-V97 HydrophobicContact CD2-CB 4.13Å; L89-V97 HydrophobicContact CD2-CG1 3.87Å; L89-V97 HydrophobicContact CD2-CG2 4.38Å; L89-F116 HydrophobicContact CB-CD1 4.36Å; L89-F116 HydrophobicContact CB-CD2 3.67Å; L89-F116 HydrophobicContact CB-CE1 4.47Å; L89-F116 HydrophobicContact CB-CE2 3.81Å; L89-F116 HydrophobicContact CB-CG 3.96Å; L89-F116 HydrophobicContact CB-CZ 4.21Å; L89-F116 HydrophobicContact CD1-CB 3.8Å; L89-F116 HydrophobicContact CD1-CD2 4.26Å; L89-F116 HydrophobicContact CD1-CG 4.1Å; L89-F116 VanDerWaalsContact O-CE2 3.31Å; L89-F116 WeakPolarHBondContact O-CE2 3.43Å; L89-F116 WeakPolarHBondContact O-CZ 3.41Å
90	E	68.1	Low	61.2	Low	106 Å²	106	64.8 Å²	64.8	50%	0.495	33%	0.33	S	S	.	.			trans	-136	150.6	176.2	-68.9	168.7	172	0	0	106.2	D92 N93 L94	E90-D92 VanDerWaalsContact C-N 3.29Å; E90-D92 PolarHBondContact O-N 3.09Å; E90-N93 CarbonylContact O-C 3.58Å; E90-N93 PolarHBondContact O-N 3.29Å; E90-N93 PolarHBondContact OE2-ND2 3.15Å; E90-L94 PolarHBondContact O-N 3.32Å
91	V	65.6	Low	61.5	Low	114 Å²	114	62.1 Å²	62.1	69%	0.691	31%	0.311	S	S	*	.	H	α-helix	trans	-54.5	-45.1	-169.8	-177.5	0	0	0	0	112	N93 L94	V91-N93 VanDerWaalsContact C-N 3.26Å; V91-N93 PolarHBondContact O-N 2.79Å; V91-L94 PolarHBondContact O-N 3.47Å
92	D	58.1	Low	61.6	Low	138 Å²	138	65.1 Å²	65.1	74%	0.738	33%	0.331	S	S	*	.	H	α-helix	trans	-69.4	-21.3	-177.8	-46.9	-38.4	0	0	0	113.7	E90	E90-D92 VanDerWaalsContact C-N 3.29Å; E90-D92 PolarHBondContact O-N 3.09Å
93	N	65.1	Low	61.9	Low	36 Å²	36	65 Å²	65	19%	0.193	33%	0.333	C	S	.	.	H	α-helix	trans	-103	-17.3	-178.1	-69.6	-50.4	0	0	0	112.6	L77 E90 V91 Q95 K96 V97	L77-N93 HydrophobicContact CD1-CB 4.04Å; E90-N93 CarbonylContact O-C 3.58Å; E90-N93 PolarHBondContact O-N 3.29Å; E90-N93 PolarHBondContact OE2-ND2 3.15Å; V91-N93 VanDerWaalsContact C-N 3.26Å; V91-N93 PolarHBondContact O-N 2.79Å; N93-Q95 PolarHBondContact O-N 2.92Å; N93-K96 PolarHBondContact O-N 2.99Å; N93-V97 WeakPolarHBondContact O-CG2 3.21Å; N93-V97 PolarHBondContact O-N 2.95Å
94	L	67.4	Low	62.3	Low	15 Å²	15	59.7 Å²	59.7	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-48.4	-174.8	-176.8	66.7	0	0	0	112.7	L89 E90 V91 V97 Q98 C113 F116 Q117	L89-L94 HydrophobicContact CB-CD1 4.39Å; L89-L94 HydrophobicContact CD1-CD1 3.95Å; L89-L94 HydrophobicContact CD2-CD1 4.02Å; L89-L94 HydrophobicContact CG-CD1 4.34Å; E90-L94 PolarHBondContact O-N 3.32Å; V91-L94 PolarHBondContact O-N 3.47Å; L94-V97 PolarHBondContact O-N 3.41Å; L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.3Å; L94-Q98 PolarHBondContact O-N 3.21Å; L94-C113 HydrophobicContact CD1-CB 3.87Å; L94-F116 HydrophobicContact CD1-CB 4.2Å; L94-F116 HydrophobicContact CD1-CD1 3.92Å; L94-F116 HydrophobicContact CD1-CG 4.31Å; L94-F116 HydrophobicContact CD2-CD1 3.78Å; L94-F116 HydrophobicContact CD2-CE1 4.35Å; L94-F116 HydrophobicContact CG-CD1 4.41Å; L94-Q117 HydrophobicContact CD2-CG 4.01Å
95	Q	61.7	Low	62.2	Low	156 Å²	156	60.6 Å²	60.6	73%	0.729	32%	0.319	S	S	*	.	H	α-helix	trans	-64	-41.4	178.7	-73.3	-174.4	-17	0	0	112	N93 Q98 Q99	N93-Q95 PolarHBondContact O-N 2.92Å; Q95-Q98 PolarHBondContact O-N 3.38Å; Q95-Q99 WeakPolarHBondContact O-CB 3.1Å; Q95-Q99 PolarHBondContact O-N 3.14Å
96	K	68.1	Low	62.6	Low	73 Å²	73	60.5 Å²	60.5	32%	0.317	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-45.1	177.5	-58.6	-178.4	-177.4	177.5	0	111.6	P71 D73 N93 A100	P71-K96 HydrophobicContact CB-CB 4.46Å; P71-K96 HydrophobicContact CG-CB 4.29Å; D73-K96 HydrophobicContact CB-CD 4.06Å; D73-K96 IonicContact OD2-NZ 2.68Å; D73-K96 PolarHBondContact OD2-NZ 3.16Å; N93-K96 PolarHBondContact O-N 2.99Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 2.81Å
97	V	65.1	Low	62.9	Low	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-39.9	177.3	174.9	0	0	0	0	111.2	L77 L78 L87 L89 N93 L94 A101	L77-V97 HydrophobicContact CB-CG2 3.89Å; L77-V97 HydrophobicContact CD1-CG2 3.65Å; L77-V97 HydrophobicContact CG-CG2 4.43Å; L78-V97 HydrophobicContact CD2-CG1 3.86Å; L78-V97 HydrophobicContact CG-CG1 4.1Å; L87-V97 HydrophobicContact CD1-CG1 4.28Å; L87-V97 HydrophobicContact CD2-CG1 4.29Å; L89-V97 HydrophobicContact CD2-CB 4.13Å; L89-V97 HydrophobicContact CD2-CG1 3.87Å; L89-V97 HydrophobicContact CD2-CG2 4.38Å; N93-V97 WeakPolarHBondContact O-CG2 3.21Å; N93-V97 PolarHBondContact O-N 2.95Å; L94-V97 PolarHBondContact O-N 3.41Å; V97-A101 WeakPolarHBondContact O-CB 3.36Å; V97-A101 PolarHBondContact O-N 3.39Å
98	Q	66.9	Low	62.8	Low	49 Å²	49	64 Å²	64	23%	0.229	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-41.8	176.4	-174.2	171.9	1.5	0	0	112.1	L94 Q95 T102 L110 C113	L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.3Å; L94-Q98 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-N 3.38Å; Q98-T102 WeakPolarHBondContact O-CB 3.13Å; Q98-T102 PolarHBondContact O-N 3.44Å; Q98-T102 PolarHBondContact O-OG1 2.69Å; Q98-L110 HydrophobicContact CG-CD2 4.12Å; Q98-L110 WeakPolarHBondContact O-CD2 3.42Å; Q98-C113 HydrophobicContact CB-CB 4.2Å; Q98-C113 HydrophobicContact CG-CB 4.34Å
99	Q	64.5	Low	62.7	Low	102 Å²	102	58.5 Å²	58.5	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-52.2	173.9	-175.3	176.7	-3.7	0	0	110.8	G69 P71 Q95 A101 T102 S103	G69-Q99 PolarHBondContact O-NE2 2.87Å; P71-Q99 HydrophobicContact CG-CB 4.22Å; P71-Q99 HydrophobicContact CG-CG 4.23Å; Q95-Q99 WeakPolarHBondContact O-CB 3.1Å; Q95-Q99 PolarHBondContact O-N 3.14Å; Q99-A101 VanDerWaalsContact C-N 3.32Å; Q99-A101 PolarHBondContact O-N 3.29Å; Q99-T102 WeakPolarHBondContact O-CA 3.5Å; Q99-T102 WeakPolarHBondContact O-CB 3.43Å; Q99-T102 PolarHBondContact O-N 3.06Å; Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 3.2Å
100	A	63.9	Low	62.8	Low	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-36.3	178.6	0	0	0	0	0	113.1	L75 L78 K96 T102 S103 L104	L75-A100 HydrophobicContact CB-CB 4.44Å; L78-A100 HydrophobicContact CD1-CB 3.67Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 2.81Å; A100-T102 VanDerWaalsContact C-N 3.3Å; A100-T102 PolarHBondContact O-N 3Å; A100-S103 PolarHBondContact O-N 2.87Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 WeakPolarHBondContact O-CG 3.27Å; A100-L104 PolarHBondContact O-N 3.33Å
101	A	64.8	Low	62.7	Low	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-26.3	174.7	0	0	0	0	0	112.7	L78 V97 Q99 C105 V106 A109 L110	L78-A101 HydrophobicContact CD1-CB 3.93Å; L78-A101 HydrophobicContact CD2-CB 4.24Å; V97-A101 WeakPolarHBondContact O-CB 3.36Å; V97-A101 PolarHBondContact O-N 3.39Å; Q99-A101 VanDerWaalsContact C-N 3.32Å; Q99-A101 PolarHBondContact O-N 3.29Å; A101-C105 PolarHBondContact O-N 3.04Å; A101-V106 HydrophobicContact CB-CB 4.35Å; A101-V106 PolarHBondContact O-N 3.18Å; A101-A109 HydrophobicContact CB-CB 3.86Å; A101-L110 HydrophobicContact CB-CD2 3.74Å; A101-L110 HydrophobicContact CB-CG 3.96Å
102	T	64.3	Low	62.6	Low	82 Å²	82	52.3 Å²	52.3	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-73.6	-49.2	172.6	-52.4	0	0	0	0	110	Q98 Q99 A100 L104 C105 L110	Q98-T102 WeakPolarHBondContact O-CB 3.13Å; Q98-T102 PolarHBondContact O-N 3.44Å; Q98-T102 PolarHBondContact O-OG1 2.69Å; Q99-T102 WeakPolarHBondContact O-CA 3.5Å; Q99-T102 WeakPolarHBondContact O-CB 3.43Å; Q99-T102 PolarHBondContact O-N 3.06Å; A100-T102 VanDerWaalsContact C-N 3.3Å; A100-T102 PolarHBondContact O-N 3Å; T102-L104 PolarHBondContact O-N 3.31Å; T102-C105 PolarHBondContact O-N 2.83Å; T102-C105 VanDerWaalsContact O-N 3.07Å; T102-L110 WeakPolarHBondContact OG1-CD2 3.27Å
103	S	61.8	Low	63	Low	56 Å²	56	45.8 Å²	45.8	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-24.2	177.5	-59	0	0	0	0	114.1	Q99 A100	Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 3.2Å; A100-S103 PolarHBondContact O-N 2.87Å
104	L	59.2	Low	63	Low	16 Å²	16	49.3 Å²	49.3	8%	0.084	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8.9	176	-67	172.1	0	0	0	113.6	F52 L67 L75 L78 A100 T102 V106	F52-L104 HydrophobicContact CZ-CD2 4.15Å; L67-L104 HydrophobicContact CD1-CD2 3.77Å; L67-L104 HydrophobicContact CD2-CD2 4.16Å; L75-L104 HydrophobicContact CD1-CD1 4.1Å; L75-L104 HydrophobicContact CG-CD1 4.13Å; L78-L104 HydrophobicContact CD1-CD1 4.45Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 WeakPolarHBondContact O-CG 3.27Å; A100-L104 PolarHBondContact O-N 3.33Å; T102-L104 PolarHBondContact O-N 3.31Å; L104-V106 HydrophobicContact CB-CG2 3.67Å; L104-V106 VanDerWaalsContact O-CG2 3.29Å; L104-V106 WeakPolarHBondContact O-CG2 3.19Å; L104-V106 PolarHBondContact O-N 2.85Å
105	C	54.8	Low	62.9	Low	69 Å²	69	53.6 Å²	53.6	47%	0.466	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	47.4	179.8	-65.7	0	0	0	0	114.6	A101 T102 P107	A101-C105 PolarHBondContact O-N 3.04Å; T102-C105 PolarHBondContact O-N 2.83Å; T102-C105 VanDerWaalsContact O-N 3.07Å; C105-P107 WeakPolarHBondContact O-CD 3.34Å
106	V	59.6	Low	63	Low	16 Å²	16	48.9 Å²	48.9	10%	0.097	26%	0.262	C	S	.	.			trans	-101.9	87	-173.3	-166.1	0	0	0	0	112.1	F48 A101 L104 E108 A109 L110	F48-V106 HydrophobicContact CD1-CG2 4Å; F48-V106 HydrophobicContact CE1-CG2 3.74Å; A101-V106 HydrophobicContact CB-CB 4.35Å; A101-V106 PolarHBondContact O-N 3.18Å; L104-V106 HydrophobicContact CB-CG2 3.67Å; L104-V106 VanDerWaalsContact O-CG2 3.29Å; L104-V106 WeakPolarHBondContact O-CG2 3.19Å; L104-V106 PolarHBondContact O-N 2.85Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 3.22Å; V106-A109 HydrophobicContact CB-CB 4.07Å; V106-A109 HydrophobicContact CG1-CB 3.72Å; V106-A109 PolarHBondContact O-N 2.93Å; V106-A109 VanDerWaalsContact O-N 3.1Å; V106-L110 WeakPolarHBondContact O-CG 3.23Å; V106-L110 PolarHBondContact O-N 2.99Å
107	P	56.1	Low	62.6	Low	76 Å²	76	49.8 Å²	49.8	49%	0.494	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-34.8	-174.6	25.5	-35.7	0	0	0	113.5	L51 C105 A109 L110 A111	L51-P107 HydrophobicContact CD2-CG 3.85Å; C105-P107 WeakPolarHBondContact O-CD 3.34Å; P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 3.34Å; P107-L110 PolarHBondContact O-N 2.99Å; P107-A111 WeakPolarHBondContact O-CB 3.24Å; P107-A111 PolarHBondContact O-N 3.2Å
108	E	58.8	Low	62.3	Low	101 Å²	101	55.3 Å²	55.3	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-39	174.9	-72.3	-165.1	160.9	0	0	112	V106 L112 R128	V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 3.22Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.05Å; E108-R128 IonicContact OE1-CZ 3.28Å; E108-R128 IonicContact OE1-NH1 3.78Å; E108-R128 IonicContact OE1-NH2 2.67Å; E108-R128 PolarHBondContact OE1-NH2 2.98Å; E108-R128 IonicContact OE2-CZ 2.79Å; E108-R128 IonicContact OE2-NH1 2.87Å; E108-R128 PolarHBondContact OE2-NH1 3.47Å; E108-R128 IonicContact OE2-NH2 3.89Å; E108-R128 PolarHBondContact OE2-NH2 3.29Å
109	A	59.7	Low	61.9	Low	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-38.2	-179.6	0	0	0	0	0	112.1	L78 A101 V106 P107 L112 C113	L78-A109 HydrophobicContact CD2-CB 3.56Å; A101-A109 HydrophobicContact CB-CB 3.86Å; V106-A109 HydrophobicContact CB-CB 4.07Å; V106-A109 HydrophobicContact CG1-CB 3.72Å; V106-A109 PolarHBondContact O-N 2.93Å; V106-A109 VanDerWaalsContact O-N 3.1Å; P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 3.34Å; A109-L112 PolarHBondContact O-N 2.97Å; A109-C113 PolarHBondContact O-N 2.89Å; A109-C113 PolarHBondContact O-SG 3.12Å; A109-C113 VanDerWaalsContact O-SG 3.42Å
110	L	64.8	Low	61.3	Low	37 Å²	37	59 Å²	59	19%	0.194	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-42.4	174.4	-67.7	172.8	0	0	0	111.8	Q98 A101 T102 V106 P107 L112 C113 Q114	Q98-L110 HydrophobicContact CG-CD2 4.12Å; Q98-L110 WeakPolarHBondContact O-CD2 3.42Å; A101-L110 HydrophobicContact CB-CD2 3.74Å; A101-L110 HydrophobicContact CB-CG 3.96Å; T102-L110 WeakPolarHBondContact OG1-CD2 3.27Å; V106-L110 WeakPolarHBondContact O-CG 3.23Å; V106-L110 PolarHBondContact O-N 2.99Å; P107-L110 PolarHBondContact O-N 2.99Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.3Å; L110-C113 PolarHBondContact O-N 3.11Å; L110-Q114 WeakPolarHBondContact O-CG 3.39Å; L110-Q114 PolarHBondContact O-N 2.86Å
111	A	65.8	Low	60.4	Low	38 Å²	38	62 Å²	62	31%	0.314	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-38.6	174.8	0	0	0	0	0	112.3	P107 Q114 Q115	P107-A111 WeakPolarHBondContact O-CB 3.24Å; P107-A111 PolarHBondContact O-N 3.2Å; A111-Q114 PolarHBondContact O-N 3.17Å; A111-Q115 WeakPolarHBondContact O-CB 3.41Å; A111-Q115 VanDerWaalsContact O-CG 3.29Å; A111-Q115 WeakPolarHBondContact O-CG 3.5Å; A111-Q115 PolarHBondContact O-N 3.45Å
112	L	64	Low	59.1	Low	39 Å²	39	68.5 Å²	68.5	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-40.2	174.6	-72.6	168.7	0	0	0	112.3	F81 L87 E108 A109 L110 Q115 F116 L126	F81-L112 HydrophobicContact CE1-CD1 4.23Å; F81-L112 HydrophobicContact CE2-CD1 4.41Å; F81-L112 HydrophobicContact CZ-CD1 3.78Å; L87-L112 HydrophobicContact CD2-CB 4.45Å; L87-L112 HydrophobicContact CD2-CD1 4.36Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.05Å; A109-L112 PolarHBondContact O-N 2.97Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.3Å; L112-Q115 PolarHBondContact O-N 3.31Å; L112-F116 WeakPolarHBondContact O-CB 3.28Å; L112-F116 PolarHBondContact O-N 3.24Å; L112-L126 HydrophobicContact CD2-CD1 3.88Å
113	C	66.1	Low	57.9	Low	0 Å²	0	69.6 Å²	69.6	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-41.7	174	-68.8	0	0	0	0	112.2	L94 Q98 A109 L110 F116 Q117	L94-C113 HydrophobicContact CD1-CB 3.87Å; Q98-C113 HydrophobicContact CB-CB 4.2Å; Q98-C113 HydrophobicContact CG-CB 4.34Å; A109-C113 PolarHBondContact O-N 2.89Å; A109-C113 PolarHBondContact O-SG 3.12Å; A109-C113 VanDerWaalsContact O-SG 3.42Å; L110-C113 PolarHBondContact O-N 3.11Å; C113-F116 PolarHBondContact O-N 3.14Å; C113-Q117 PolarHBondContact O-N 3.19Å
114	Q	66.8	Low	56.8	Low	110 Å²	110	72.4 Å²	72.4	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-65	-42.9	176.1	-71.9	169.7	-7	0	0	112	L110 A111 F116 Q117 V118	L110-Q114 WeakPolarHBondContact O-CG 3.39Å; L110-Q114 PolarHBondContact O-N 2.86Å; A111-Q114 PolarHBondContact O-N 3.17Å; Q114-F116 VanDerWaalsContact C-N 3.28Å; Q114-F116 PolarHBondContact O-N 2.91Å; Q114-Q117 WeakPolarHBondContact O-CB 3.35Å; Q114-Q117 PolarHBondContact O-N 2.99Å; Q114-V118 PolarHBondContact O-N 2.78Å; Q114-V118 VanDerWaalsContact O-N 3.15Å
115	Q	63.8	Low	56	Low	106 Å²	106	76.4 Å²	76.4	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-35.5	174.4	-74.5	173.8	9.9	0	0	112.3	A111 L112 V118 N119	A111-Q115 WeakPolarHBondContact O-CB 3.41Å; A111-Q115 VanDerWaalsContact O-CG 3.29Å; A111-Q115 WeakPolarHBondContact O-CG 3.5Å; A111-Q115 PolarHBondContact O-N 3.45Å; L112-Q115 PolarHBondContact O-N 3.31Å; Q115-V118 PolarHBondContact O-N 3.09Å; Q115-N119 WeakPolarHBondContact O-CB 3.3Å; Q115-N119 PolarHBondContact O-N 3.46Å; Q115-N119 VanDerWaalsContact O-N 3.1Å
116	F	63.7	Low	55.4	Low	57 Å²	57	78.4 Å²	78.4	25%	0.25	46%	0.456	C	S	.	.	H	α-helix	trans	-69.8	-35.8	175.2	-166.8	-87.2	0	0	0	112.5	L89 L94 L112 C113 Q114 V118 N119	L89-F116 HydrophobicContact CB-CD1 4.36Å; L89-F116 HydrophobicContact CB-CD2 3.67Å; L89-F116 HydrophobicContact CB-CE1 4.47Å; L89-F116 HydrophobicContact CB-CE2 3.81Å; L89-F116 HydrophobicContact CB-CG 3.96Å; L89-F116 HydrophobicContact CB-CZ 4.21Å; L89-F116 HydrophobicContact CD1-CB 3.8Å; L89-F116 HydrophobicContact CD1-CD2 4.26Å; L89-F116 HydrophobicContact CD1-CG 4.1Å; L89-F116 VanDerWaalsContact O-CE2 3.31Å; L89-F116 WeakPolarHBondContact O-CE2 3.43Å; L89-F116 WeakPolarHBondContact O-CZ 3.41Å; L94-F116 HydrophobicContact CD1-CB 4.2Å; L94-F116 HydrophobicContact CD1-CD1 3.92Å; L94-F116 HydrophobicContact CD1-CG 4.31Å; L94-F116 HydrophobicContact CD2-CD1 3.78Å; L94-F116 HydrophobicContact CD2-CE1 4.35Å; L94-F116 HydrophobicContact CG-CD1 4.41Å; L112-F116 WeakPolarHBondContact O-CB 3.28Å; L112-F116 PolarHBondContact O-N 3.24Å; C113-F116 PolarHBondContact O-N 3.14Å; Q114-F116 VanDerWaalsContact C-N 3.28Å; Q114-F116 PolarHBondContact O-N 2.91Å; F116-V118 VanDerWaalsContact C-N 3.33Å; F116-V118 PolarHBondContact O-N 2.86Å; F116-N119 PolarHBondContact O-N 3.18Å
117	Q	61.4	Low	54.5	Low	91 Å²	91	83.8 Å²	83.8	43%	0.425	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-36.4	172.3	-101.5	148.6	23.3	0	0	113	L94 C113 Q114	L94-Q117 HydrophobicContact CD2-CG 4.01Å; C113-Q117 PolarHBondContact O-N 3.19Å; Q114-Q117 WeakPolarHBondContact O-CB 3.35Å; Q114-Q117 PolarHBondContact O-N 2.99Å
118	V	58.3	Low	53.5	Low	117 Å²	117	87 Å²	87	71%	0.709	48%	0.48	S	S	*	.	H	α-helix	trans	-77.6	-36.4	178.5	176.2	0	0	0	0	112.3	Q114 Q115 F116 S120	Q114-V118 PolarHBondContact O-N 2.78Å; Q114-V118 VanDerWaalsContact O-N 3.15Å; Q115-V118 PolarHBondContact O-N 3.09Å; F116-V118 VanDerWaalsContact C-N 3.33Å; F116-V118 PolarHBondContact O-N 2.86Å; V118-S120 PolarHBondContact O-N 3.29Å
119	N	58.3	Low	52.2	Low	114 Å²	114	91.9 Å²	91.9	61%	0.61	50%	0.5	S	S	*	.			trans	-96	38.6	-172.8	-70.2	-11.3	0	0	0	114.1	Q115 F116 G121	Q115-N119 WeakPolarHBondContact O-CB 3.3Å; Q115-N119 PolarHBondContact O-N 3.46Å; Q115-N119 VanDerWaalsContact O-N 3.1Å; F116-N119 PolarHBondContact O-N 3.18Å; N119-G121 PolarHBondContact O-N 3.38Å
120	S	50.8	Low	50.6	Low	113 Å²	113	102.8 Å²	102.8	79%	0.79	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	19.5	-173.4	54.3	0	0	0	0	116.1	V118	V118-S120 PolarHBondContact O-N 3.29Å
121	G	46.1	Very low	48.7	Very low	65 Å²	65	104.5 Å²	104.5	67%	0.67	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-16.5	179.6	0	0	0	0	0	116.5	N119	N119-G121 PolarHBondContact O-N 3.38Å
122	N	38	Very low	46.8	Very low	135 Å²	135	113.2 Å²	113.2	72%	0.722	59%	0.592	S	S	*	*			trans	-166.3	123	173.4	-118	-81.4	0	0	0	113.5	V124	N122-V124 PolarHBondContact O-N 3.41Å
123	P	39.2	Very low	44.8	Very low	105 Å²	105	117.4 Å²	117.4	68%	0.682	62%	0.622	S	S	*	*			trans	-87	98.7	-177	33.1	-33.7	0	0	0	113.2
124	V	37.5	Very low	42.9	Very low	116 Å²	116	126.5 Å²	126.5	70%	0.703	66%	0.661	S	S	*	*			trans	-94.4	126.6	168.8	-179.1	0	0	0	0	110.2	N122 L126	N122-V124 PolarHBondContact O-N 3.41Å; V124-L126 PolarHBondContact O-N 3.12Å
125	P	41.8	Very low	41	Very low	99 Å²	99	130.9 Å²	130.9	64%	0.643	68%	0.679	S	S	*	*			trans	-64.6	108.5	178.6	-23.5	34.4	0	0	0	113	K127	P125-K127 PolarHBondContact O-N 3.2Å
126	L	43.3	Very low	39.2	Very low	111 Å²	111	129.3 Å²	129.3	58%	0.581	69%	0.691	S	S	*	*			trans	-69.9	111.8	176.6	-72.7	168.8	0	0	0	110.9	L112 V124	L112-L126 HydrophobicContact CD2-CD1 3.88Å; V124-L126 PolarHBondContact O-N 3.12Å
127	K	40	Very low	37.5	Very low	129 Å²	129	134.7 Å²	134.7	56%	0.561	72%	0.717	S	S	*	*	B	Isolated β-bridge	trans	-107.8	120.5	179.9	-65.8	-178.9	-178.7	-70.1	0	111.3	E86 P125 K129	E86-K127 HydrophobicContact CG-CG 4.16Å; E86-K127 IonicContact OE1-NZ 2.81Å; E86-K127 PolarHBondContact OE1-NZ 2.89Å; E86-K127 IonicContact OE2-NZ 3.26Å; E86-K127 PolarHBondContact OE2-NZ 3.16Å; P125-K127 PolarHBondContact O-N 3.2Å; K127-K129 PolarHBondContact O-N 3.39Å
128	R	36.4	Very low	35.9	Very low	145 Å²	145	134.6 Å²	134.6	55%	0.547	72%	0.723	S	S	.	*			trans	-66.2	117.6	174.4	-162.6	173.4	-171.1	142.5	5.1	109.9	G85 E108 R130	G85-R128 PolarHBondContact O-N 3.09Å; E108-R128 IonicContact OE1-CZ 3.28Å; E108-R128 IonicContact OE1-NH1 3.78Å; E108-R128 IonicContact OE1-NH2 2.67Å; E108-R128 PolarHBondContact OE1-NH2 2.98Å; E108-R128 IonicContact OE2-CZ 2.79Å; E108-R128 IonicContact OE2-NH1 2.87Å; E108-R128 PolarHBondContact OE2-NH1 3.47Å; E108-R128 IonicContact OE2-NH2 3.89Å; E108-R128 PolarHBondContact OE2-NH2 3.29Å; R128-R130 PolarHBondContact O-N 2.75Å
129	K	29.7	Very low	34.3	Very low	202 Å²	202	136.7 Å²	136.7	88%	0.878	73%	0.73	S	S	*	*			trans	-59.2	127	174	-78.7	-177	178.9	173.7	0	109.1	K127 G131	K127-K129 PolarHBondContact O-N 3.39Å; K129-G131 PolarHBondContact O-N 3.18Å
130	R	26.7	Very low	32.7	Very low	229 Å²	229	136 Å²	136	86%	0.864	74%	0.74	S	S	*	*			trans	-70	89.8	-175.1	-76.1	-172.5	171.4	-162.1	-4.9	112.6	R128 R132	R128-R130 PolarHBondContact O-N 2.75Å; R130-R132 PolarHBondContact O-N 2.89Å
131	G	25.9	Very low	31.4	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	74%	0.74	S	S	*	*			trans	-66	115.6	165.6	0	0	0	0	0	111.4	K129	K129-G131 PolarHBondContact O-N 3.18Å
132	R	24.3	Very low	30.4	Very low	221 Å²	221	141.7 Å²	141.7	83%	0.834	74%	0.743	S	S	*	*			trans	-64.4	137.5	155.3	174.3	-176.7	-179.9	179.5	0.8	107.2	R130 K134	R130-R132 PolarHBondContact O-N 2.89Å; R132-K134 PolarHBondContact O-N 3.13Å
133	P	23.7	Very low	29.7	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	74%	0.736	S	S	*	*			trans	-62.2	101.8	174.7	25.2	-33.5	0	0	0	109.8
134	K	25.7	Very low	29.1	Very low	192 Å²	192	143.9 Å²	143.9	84%	0.835	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-82	155.8	158.2	-84.1	-173.1	171.5	-175.1	0	107.7	R132	R132-K134 PolarHBondContact O-N 3.13Å
135	K	27.1	Very low	28.5	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-55.5	147.6	163	-69.6	179.2	170.1	-173.5	0	109.2
136	G	25.4	Very low	27.7	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-60.9	140.2	158.9	0	0	0	0	0	110.5
137	Q	28	Very low	26.7	Very low	169 Å²	169	146.6 Å²	146.6	79%	0.79	75%	0.752	S	S	*	*			trans	-122.4	149.7	142.9	-80	-174.5	-98.9	0	0	106.1
138	T	27.7	Very low	25.9	Very low	89 Å²	89	147.7 Å²	147.7	55%	0.546	76%	0.761	S	S	.	*			trans	-80.9	137	174.6	24.3	0	0	0	0	109.5	E275	T138-E275 PolarHBondContact OG1-OE2 2.65Å
139	D	25	Very low	25.3	Very low	161 Å²	161	146.4 Å²	146.4	86%	0.861	77%	0.769	S	S	*	*			trans	-82.8	129.6	171.7	-69.9	-54.3	0	0	0	109.8
140	A	25.4	Very low	25.1	Very low	99 Å²	99	144.3 Å²	144.3	82%	0.818	77%	0.767	S	S	*	*			trans	-109.7	118.6	167.2	0	0	0	0	0	108.7
141	V	23.4	Very low	25	Very low	131 Å²	131	137.3 Å²	137.3	79%	0.794	76%	0.758	S	S	*	*			trans	-100.5	126.1	-173.6	176.1	0	0	0	0	110.9
142	K	25	Very low	24.9	Very low	167 Å²	167	142.8 Å²	142.8	73%	0.726	76%	0.764	S	S	*	*			trans	165.4	152.4	150	-100.5	173.7	170.4	-123.6	0	109.7
143	E	23.1	Very low	25	Very low	125 Å²	125	140.3 Å²	140.3	58%	0.584	76%	0.762	S	S	*	*			cis	-154.5	147.8	0.4	-152.9	140.5	-154.9	0	0	109.5
144	E	26.3	Very low	25	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	75%	0.754	S	S	*	*			trans	57.1	164.8	159.5	-75.2	171.9	-157.3	0	0	118.9
145	N	24.8	Very low	25	Very low	136 Å²	136	134.5 Å²	134.5	73%	0.727	75%	0.748	S	S	*	*			cis	-136.8	172.6	-0.7	-145.1	-42.5	0	0	0	111
146	S	23.9	Very low	24.9	Very low	97 Å²	97	130.3 Å²	130.3	68%	0.678	75%	0.745	S	S	*	*			trans	-86.5	153.8	176.9	-62.6	0	0	0	0	112.7
147	L	23.8	Very low	25	Very low	151 Å²	151	131.9 Å²	131.9	79%	0.791	75%	0.75	S	S	*	*				166	138.1	116.3	-84.6	165.2	0	0	0	113.9
148	M	22.7	Very low	24.8	Very low	152 Å²	152	126.9 Å²	126.9	75%	0.749	74%	0.744	S	S	*	*			trans	58.9	105.9	139.4	-61.6	-59.8	-175.1	0	0	123.8
149	V	22.7	Very low	24.9	Very low	118 Å²	118	128 Å²	128	72%	0.715	76%	0.755	S	S	*	*				72	150.1	108.4	169.9	0	0	0	0	121.3
150	L	25.8	Very low	25.1	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	76%	0.755	S	S	*	*			trans	72	125.4	-171.9	-48.3	-173.2	0	0	0	114.5
151	A	25.9	Very low	25	Very low	83 Å²	83	128.9 Å²	128.9	69%	0.686	74%	0.744	S	S	*	*			cis	90.5	142.4	17.9	0	0	0	0	0	116.3
152	E	23.8	Very low	25.1	Very low	188 Å²	188	130.3 Å²	130.3	88%	0.879	75%	0.747	S	S	*	*			trans	66.3	163.5	173.2	-64.8	179	-159.6	0	0	116.9
153	E	24.8	Very low	25.2	Very low	169 Å²	169	127.7 Å²	127.7	79%	0.79	74%	0.744	S	S	*	*				-169.7	157.4	-52.8	-102.9	-104.6	115.7	0	0	107.2
154	S	25.3	Very low	25.3	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	76%	0.757	S	S	*	*			trans	66.3	119.3	152.6	78.5	0	0	0	0	122.9
155	S	24.7	Very low	25.3	Very low	101 Å²	101	126 Å²	126	71%	0.706	76%	0.757	S	S	*	*				57.1	113.3	126.9	64	0	0	0	0	125.1
156	S	25.8	Very low	25.3	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	76%	0.764	S	S	*	*				98	151.2	111.1	77.1	0	0	0	0	122.9
157	A	26.2	Very low	25.5	Very low	107 Å²	107	124.8 Å²	124.8	88%	0.884	77%	0.772	S	S	*	*			trans	63.3	136.2	167.2	0	0	0	0	0	119.5
158	G	25.5	Very low	25.6	Very low	64 Å²	64	122.1 Å²	122.1	66%	0.66	77%	0.771	S	S	*	*			cis	162.3	146.9	-14.8	0	0	0	0	0	115.7
159	S	30	Very low	26.2	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	78%	0.775	S	S	*	*			trans	67.8	158	164.4	81.8	0	0	0	0	116.7
160	F	27.6	Very low	26.3	Very low	195 Å²	195	122 Å²	122	86%	0.855	78%	0.782	S	S	*	*			cis	-162.9	170.7	-6.3	-120.5	-22.9	0	0	0	107.6
161	S	24.2	Very low	26.3	Very low	84 Å²	84	120.2 Å²	120.2	59%	0.587	78%	0.778	S	S	*	*			cis	-160.9	167.8	-10.6	-160.5	0	0	0	0	109.4
162	L	25.1	Very low	26.1	Very low	162 Å²	162	122 Å²	122	85%	0.848	78%	0.781	S	S	*	*			trans	-157.2	166.1	156	-112.2	173.4	0	0	0	110.9
163	V	28.1	Very low	26.1	Very low	111 Å²	111	118.9 Å²	118.9	67%	0.673	77%	0.774	S	S	*	*			trans	-121.4	160.6	-146.8	-62	0	0	0	0	117.8
164	D	24.3	Very low	26.1	Very low	160 Å²	160	116.7 Å²	116.7	86%	0.856	77%	0.773	S	S	*	*			trans	72.2	166.3	153.1	-75.2	-53.5	0	0	0	122.1
165	A	26.5	Very low	26.2	Very low	92 Å²	92	118.5 Å²	118.5	76%	0.76	78%	0.78	S	S	*	*			trans	-152.3	-164.9	-143.7	0	0	0	0	0	115.3
166	A	25.6	Very low	26.4	Very low	106 Å²	106	124 Å²	124	88%	0.876	79%	0.785	S	S	*	*			trans	76.1	152.9	-179.8	0	0	0	0	0	115.6
167	A	26.6	Very low	26.7	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	78%	0.779	S	S	*	*			cis	-142.6	179.9	1	0	0	0	0	0	112
168	A	27.2	Very low	26.7	Very low	94 Å²	94	121.8 Å²	121.8	78%	0.777	78%	0.775	S	S	*	*			trans	-100.6	161.2	-178.7	0	0	0	0	0	114
169	P	34.6	Very low	26.6	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	78%	0.784	S	S	*	*			trans	-102.1	149.8	175.1	37.3	-32.3	0	0	0	114.3
170	T	25.9	Very low	26.2	Very low	140 Å²	140	130.8 Å²	130.8	86%	0.859	79%	0.788	S	S	*	*			trans	-125.3	161.5	177.5	40.5	0	0	0	0	114.1
171	T	24	Very low	26.1	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	78%	0.778	S	S	*	*			trans	-43.5	154.4	176.3	52.9	0	0	0	0	116.1
172	T	23.3	Very low	26.2	Very low	122 Å²	122	132.4 Å²	132.4	75%	0.748	79%	0.793	S	S	*	*				-161.6	143.9	60	40.7	0	0	0	0	112
173	T	22.8	Very low	26	Very low	122 Å²	122	128 Å²	128	75%	0.748	79%	0.786	S	S	*	*				76.1	121.2	72.4	-40.4	0	0	0	0	116.6
174	T	24.3	Very low	26.8	Very low	123 Å²	123	128.8 Å²	128.8	76%	0.755	79%	0.793	S	S	*	*			trans	-173.7	112.6	140.9	-85.4	0	0	0	0	116.1
175	T	28	Very low	26.9	Very low	133 Å²	133	131.4 Å²	131.4	82%	0.816	80%	0.797	S	S	*	*			trans	51.9	-171.2	143.5	82.4	0	0	0	0	124.7
176	R	29	Very low	26.8	Very low	216 Å²	216	138.8 Å²	138.8	82%	0.815	81%	0.806	S	S	*	*				-164.2	154.9	-101.1	-161.9	-168.8	90.9	179.2	3.4	113.8
177	S	31.3	Very low	26.8	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	81%	0.805	S	S	*	*			trans	81.5	164.3	162.9	-24.9	0	0	0	0	114.4
178	G	26.6	Very low	26.6	Very low	78 Å²	78	143 Å²	143	80%	0.804	80%	0.803	S	S	*	*			cis	-136.7	-171.1	8.6	0	0	0	0	0	116.2
179	R	24.7	Very low	26.5	Very low	225 Å²	225	144.6 Å²	144.6	85%	0.849	80%	0.803	S	S	*	*			trans	-154.8	132.8	-168.4	177.7	-163.2	-166.3	-164	5.6	108.6	V181	R179-V181 HydrophobicContact CG-CG2 4.48Å
180	V	21.7	Very low	26	Very low	140 Å²	140	142.6 Å²	142.6	85%	0.848	80%	0.797	S	S	*	*			trans	-115	142.8	169.2	-179.1	0	0	0	0	109.8
181	V	24.7	Very low	25.8	Very low	109 Å²	109	143.3 Å²	143.3	66%	0.661	80%	0.796	S	S	*	*			trans	-139.2	134.7	171.4	176.1	0	0	0	0	106.2	R179	R179-V181 HydrophobicContact CG-CG2 4.48Å
182	K	25.1	Very low	25.8	Very low	204 Å²	204	141.8 Å²	141.8	89%	0.887	80%	0.796	S	S	*	*			trans	-143	147.8	163.8	-112.5	177.6	-179.7	178.5	0	110.8
183	G	22.8	Very low	25.8	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	80%	0.798	S	S	*	*			trans	-99.2	-169.2	178.8	0	0	0	0	0	113.1
184	P	44.6	Very low	26.7	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	80%	0.796	S	S	*	*			trans	-94.8	160.6	-158.7	36.7	-37.3	0	0	0	115.7
185	K	26.3	Very low	26.7	Very low	216 Å²	216	140.8 Å²	140.8	94%	0.939	80%	0.796	S	S	*	*			trans	-140.5	170.7	155.1	-82.9	-162.4	172.9	-174	0	110.5
186	R	24.1	Very low	26.6	Very low	247 Å²	247	142.1 Å²	142.1	93%	0.932	80%	0.797	S	S	*	*			trans	-99.9	171.8	-164.7	-86.8	179.8	164.5	-174	-4.8	114.8
187	L	24.7	Very low	26.4	Very low	163 Å²	163	138.8 Å²	138.8	85%	0.853	80%	0.795	S	S	*	*			trans	-63.6	161.2	170.6	-70.6	69.2	0	0	0	114.1
188	V	22.8	Very low	27	Very low	132 Å²	132	138.7 Å²	138.7	80%	0.8	79%	0.793	S	S	*	*			trans	167.5	135	143.8	144.3	0	0	0	0	107.1
189	T	24.7	Very low	27	Very low	128 Å²	128	144.2 Å²	144.2	79%	0.785	80%	0.795	S	S	*	*			cis	-165.3	160.2	-21.6	29.5	0	0	0	0	106.7
190	A	23.8	Very low	27.2	Very low	85 Å²	85	138 Å²	138	70%	0.702	79%	0.791	S	S	*	*			cis	-134.8	-116.9	-7.7	0	0	0	0	0	108.9
191	D	22.6	Very low	27.3	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	78%	0.784	S	S	*	*			cis	-162.6	179.7	-11.6	-140.1	-41.5	0	0	0	111.8
192	A	24.4	Very low	27.4	Very low	88 Å²	88	137.9 Å²	137.9	73%	0.727	80%	0.797	S	S	*	*			trans	56.1	108.2	161.4	0	0	0	0	0	121.1
193	S	24	Very low	27.3	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	79%	0.793	S	S	*	*			trans	-104.7	171	150.3	-52.2	0	0	0	0	109.2
194	P	40	Very low	28.4	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	79%	0.794	S	S	*	*				-152.9	153.8	85.8	41.3	-23.7	0	0	0	116.8
195	T	24.8	Very low	27.5	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	80%	0.797	S	S	*	*			trans	44.1	147.3	139.4	65.3	0	0	0	0	121.9
196	L	26.9	Very low	27.5	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	79%	0.792	S	S	*	*			cis	-145.6	141.3	34.1	-75.7	162.8	0	0	0	113.4
197	D	24.6	Very low	27.7	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	79%	0.785	S	S	*	*			trans	-97.2	171.5	148.4	-111.8	-55.4	0	0	0	106.9
198	P	42.7	Very low	27.7	Very low	95 Å²	95	131 Å²	131	62%	0.617	77%	0.774	S	S	*	*			cis	-154	170.4	34.8	44.2	-23.7	0	0	0	119.7
199	K	27.9	Very low	27.7	Very low	194 Å²	194	130.8 Å²	130.8	84%	0.843	77%	0.773	S	S	*	*			trans	63.4	165.2	143.1	-75.9	165.2	-179.2	177.8	0	119.6
200	A	27.2	Very low	27.8	Very low	93 Å²	93	129.9 Å²	129.9	77%	0.769	77%	0.772	S	S	*	*			cis	-174.7	150.8	-37.3	0	0	0	0	0	110.3
201	G	24.6	Very low	27.8	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	78%	0.783	S	S	*	*			trans	107.8	128.5	138.5	0	0	0	0	0	119.8
202	L	26.7	Very low	28	Very low	180 Å²	180	131.4 Å²	131.4	94%	0.942	78%	0.779	S	S	*	*			trans	78.1	146.7	144.5	-53.4	179.2	0	0	0	120.7
203	T	24.3	Very low	28	Very low	129 Å²	129	134 Å²	134	79%	0.791	79%	0.786	S	S	*	*			trans	-118.6	-176.9	-180	54	0	0	0	0	109
204	P	45.7	Very low	28	Very low	115 Å²	115	132.4 Å²	132.4	75%	0.747	78%	0.78	S	S	*	*			cis	-121.6	-166.1	-42	35.9	-19.1	0	0	0	109.8
205	V	25.3	Very low	27.2	Very low	146 Å²	146	135.4 Å²	135.4	89%	0.885	79%	0.785	S	S	*	*			trans	-173.8	163.3	138.9	135.7	0	0	0	0	110.7
206	E	26.8	Very low	27.2	Very low	179 Å²	179	136 Å²	136	84%	0.836	78%	0.783	S	S	*	*			trans	-100.5	158.9	-169.6	-53.3	167.5	128.1	0	0	113.9
207	K	27.2	Very low	27.2	Very low	179 Å²	179	134.5 Å²	134.5	78%	0.778	78%	0.78	S	S	*	*			trans	144.4	155.7	149.7	-87	-174.1	174.4	-93.5	0	111
208	E	25.2	Very low	27.2	Very low	134 Å²	134	136 Å²	136	63%	0.626	78%	0.78	S	S	*	*			cis	171.1	138.5	-26.8	-112.9	-175.8	153.3	0	0	105.7
209	T	23.1	Very low	26.3	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	78%	0.779	S	S	*	*			trans	69.2	168.5	152.5	61.9	0	0	0	0	122.1
210	S	25.6	Very low	26.1	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	78%	0.775	S	S	*	*			trans	64.9	126.3	-169	64.7	0	0	0	0	115.1
211	E	25.1	Very low	26	Very low	197 Å²	197	136.5 Å²	136.5	92%	0.921	78%	0.775	S	S	*	*			cis	105.3	131.2	17.3	-71	-164.3	135.1	0	0	115.6
212	G	25.5	Very low	26.4	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	78%	0.78	S	S	*	*			trans	86.5	155.5	164.1	0	0	0	0	0	117.5
213	V	24.1	Very low	26.3	Very low	143 Å²	143	134.8 Å²	134.8	87%	0.867	77%	0.77	S	S	*	*			cis	-169.4	161.3	-27.5	107.6	0	0	0	0	108.5
214	A	24.7	Very low	26.3	Very low	82 Å²	82	132.7 Å²	132.7	68%	0.678	77%	0.765	S	S	*	*			trans	64.4	158.7	170.1	0	0	0	0	0	116.8
215	E	23.9	Very low	25.4	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	77%	0.772	S	S	*	*			cis	-152	138	-18.9	-107.5	172.9	143	0	0	105.9
216	N	23.5	Very low	25.5	Very low	134 Å²	134	134 Å²	134	72%	0.717	76%	0.763	S	S	*	*				80.9	166	69	-157.8	13.5	0	0	0	113.9
217	V	27	Very low	25.6	Very low	129 Å²	129	133.3 Å²	133.3	78%	0.782	76%	0.76	S	S	*	*			trans	77.2	103	-168.6	-172.5	0	0	0	0	111.1
218	K	24.1	Very low	25.4	Very low	178 Å²	178	130.3 Å²	130.3	77%	0.774	76%	0.756	S	S	*	*			cis	72.7	136.6	40	-138.3	-167.3	178.3	-173.3	0	110.8
219	S	24	Very low	25.4	Very low	85 Å²	85	130.9 Å²	130.9	59%	0.594	77%	0.768	S	S	*	*			cis	-131.8	-148.5	16.6	-49.2	0	0	0	0	110.4
220	D	25.4	Very low	25.4	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	76%	0.763	S	S	*	*			cis	-157.5	179	0.3	-132.3	-37.4	0	0	0	113.8
221	Q	24.5	Very low	25.4	Very low	164 Å²	164	131 Å²	131	77%	0.766	76%	0.755	S	S	*	*			trans	-135.2	157.8	164.7	-70.3	-175.8	-42.1	0	0	109.2
222	P	33.1	Very low	25.4	Very low	125 Å²	125	128.7 Å²	128.7	81%	0.812	74%	0.741	S	S	*	*				-132.7	161.1	93	10.5	12	0	0	0	112.4
223	A	23.4	Very low	25.4	Very low	88 Å²	88	131.9 Å²	131.9	73%	0.727	74%	0.739	S	S	*	*			cis	98.4	112.9	16.8	0	0	0	0	0	116.3
224	A	24.9	Very low	25.5	Very low	84 Å²	84	131 Å²	131	69%	0.694	73%	0.73	S	S	*	*			trans	178	112	157.6	0	0	0	0	0	106
225	E	26	Very low	25.5	Very low	190 Å²	190	133.1 Å²	133.1	89%	0.888	74%	0.735	S	S	*	*				74.1	139.7	81.2	-70.5	165.5	-141.7	0	0	113
226	S	27.8	Very low	25.8	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	74%	0.736	S	S	*	*			cis	-159.5	171.3	-2.1	53.1	0	0	0	0	108.1
227	E	28.6	Very low	26.4	Very low	165 Å²	165	132 Å²	132	77%	0.771	74%	0.741	S	S	*	*			cis	-157.9	140.7	-11	-116.4	176.3	105.4	0	0	107.8
228	V	23.5	Very low	26.3	Very low	115 Å²	115	129.4 Å²	129.4	70%	0.697	74%	0.741	S	S	*	*				64.3	119.7	96.5	178.2	0	0	0	0	118.1
229	V	24.8	Very low	26.4	Very low	146 Å²	146	126.6 Å²	126.6	89%	0.885	74%	0.743	S	S	*	*			trans	-142.1	138.1	134	-178.7	0	0	0	0	110.2
230	E	24.8	Very low	26.4	Very low	144 Å²	144	130.9 Å²	130.9	67%	0.673	76%	0.759	S	S	*	*			trans	-55.5	-177.8	179.8	-75.9	-165.4	96.6	0	0	119.8	K232	E230-K232 IonicContact OE1-NZ 3.51Å; E230-K232 PolarHBondContact OE1-NZ 3.13Å
231	V	25.3	Very low	26.4	Very low	96 Å²	96	127 Å²	127	58%	0.582	75%	0.754	S	S	*	*			cis	175.7	179	-40.3	98.9	0	0	0	0	110
232	K	23.8	Very low	26.5	Very low	147 Å²	147	127.6 Å²	127.6	64%	0.639	76%	0.756	S	S	*	*			trans	75	125.3	178.4	-67.6	121.7	-165.7	154.6	0	116	E230	E230-K232 IonicContact OE1-NZ 3.51Å; E230-K232 PolarHBondContact OE1-NZ 3.13Å
233	I	26.7	Very low	26	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	76%	0.756	S	S	*	*			cis	92.1	158.9	20	-46.1	159.9	0	0	0	113.6
234	D	25.1	Very low	26.1	Very low	125 Å²	125	130.9 Å²	130.9	67%	0.668	77%	0.765	S	S	*	*			trans	88.1	135.8	169	-53.2	-53.3	0	0	0	117.9
235	T	25.3	Very low	26	Very low	126 Å²	126	135.2 Å²	135.2	77%	0.773	78%	0.776	S	S	*	*			cis	-161.6	156.8	-12.6	10.1	0	0	0	0	111.2
236	D	29.8	Very low	26	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	76%	0.76	S	S	*	*			trans	-83.6	164.4	155.3	-75.8	-57.1	0	0	0	110.5
237	P	37.2	Very low	25.7	Very low	128 Å²	128	130.5 Å²	130.5	83%	0.831	77%	0.767	S	S	*	*				-145.2	162	103.1	38.5	-24.5	0	0	0	115.5
238	G	24.6	Very low	25.5	Very low	75 Å²	75	127.2 Å²	127.2	77%	0.773	77%	0.768	S	S	*	*			trans	-109.4	-169.5	167.4	0	0	0	0	0	113.1
239	S	25.5	Very low	25.5	Very low	119 Å²	119	125.7 Å²	125.7	83%	0.832	77%	0.768	S	S	*	*			trans	-158.1	137.3	173.3	59.9	0	0	0	0	112.2
240	D	25.2	Very low	25.5	Very low	174 Å²	174	127.9 Å²	127.9	93%	0.93	77%	0.768	S	S	*	*			trans	-97.7	178.1	-171.4	-63.1	-81.1	0	0	0	115.7
241	G	25	Very low	25.5	Very low	62 Å²	62	124.6 Å²	124.6	64%	0.639	77%	0.766	S	S	*	*			trans	137	105	170.8	0	0	0	0	0	111.6
242	Q	25.7	Very low	25.5	Very low	175 Å²	175	129 Å²	129	82%	0.818	78%	0.78	S	S	*	*				54.9	138	69.2	-63	-165.3	-71.4	0	0	113.7
243	E	24	Very low	25.5	Very low	173 Å²	173	129.7 Å²	129.7	81%	0.808	79%	0.786	S	S	*	*			cis	-174.1	141.4	-18.6	-128.2	179.7	-109.5	0	0	106
244	A	25	Very low	25.4	Very low	110 Å²	110	126.7 Å²	126.7	91%	0.909	78%	0.782	S	S	*	*			trans	-172.5	160	166.3	0	0	0	0	0	113.3
245	D	23.2	Very low	25.4	Very low	174 Å²	174	125.8 Å²	125.8	93%	0.93	79%	0.792	S	S	*	*			trans	-119.9	167.1	-179.2	-171.9	13.4	0	0	0	111.1
246	G	24.4	Very low	25.4	Very low	53 Å²	53	128.7 Å²	128.7	55%	0.546	80%	0.796	S	S	.	*			trans	136	104	163	0	0	0	0	0	119.3
247	T	23.2	Very low	25.3	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	80%	0.799	S	S	*	*			trans	43.5	111.9	134.5	57.2	0	0	0	0	123.1
248	A	23.3	Very low	24.8	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	81%	0.805	S	S	*	*				64.3	133.8	114.8	0	0	0	0	0	124.8
249	A	23.2	Very low	24.9	Very low	83 Å²	83	142.4 Å²	142.4	69%	0.686	81%	0.808	S	S	*	*			trans	82.3	137.7	138.1	0	0	0	0	0	122.9
250	E	24.7	Very low	24.9	Very low	191 Å²	191	144 Å²	144	89%	0.893	81%	0.806	S	S	*	*			trans	66.9	142.3	147.8	-74.9	164.8	-154.3	0	0	120.4
251	A	24.7	Very low	25	Very low	76 Å²	76	144.4 Å²	144.4	63%	0.628	80%	0.802	S	S	*	*			cis	-157.3	153.9	-8	0	0	0	0	0	113.3
252	E	25.2	Very low	24.9	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	80%	0.8	S	S	*	*			trans	58.7	163.7	141.8	-71.2	-176	146.8	0	0	121.8
253	E	25.1	Very low	25	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.762	80%	0.803	S	S	*	*			cis	-143.4	166.1	6.6	-145.1	-150.5	133	0	0	114.4
254	A	24.4	Very low	25	Very low	78 Å²	78	144.1 Å²	144.1	65%	0.645	80%	0.798	S	S	*	*			trans	47.1	110.3	148.3	0	0	0	0	0	123.2
255	A	24.3	Very low	25	Very low	107 Å²	107	146.3 Å²	146.3	88%	0.884	80%	0.795	S	S	*	*			trans	-154.4	45.8	147	0	0	0	0	0	115.3
256	Q	26.3	Very low	25.1	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	79%	0.789	S	S	*	*			trans	-118.3	100.3	168.7	-75.2	-162.4	22.4	0	0	112.9
257	K	26.8	Very low	25.1	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	79%	0.792	S	S	*	*			trans	170.8	118.2	145.7	-96.9	152.4	-173.3	170.5	0	111.6
258	R	27.8	Very low	25.3	Very low	255 Å²	255	149.6 Å²	149.6	96%	0.962	79%	0.792	S	S	*	*				168.7	124.1	129	-91.5	162.4	-164.2	-132.3	2.7	109.9
259	K	25.3	Very low	25.4	Very low	191 Å²	191	149.4 Å²	149.4	83%	0.83	79%	0.785	S	S	*	*			trans	-140.4	135.8	174.4	-167.3	-175	-178.1	-176.8	0	107.5
260	L	25.8	Very low	25.5	Very low	151 Å²	151	152.7 Å²	152.7	79%	0.791	79%	0.791	S	S	*	*			trans	63.6	112.7	170.9	-69.2	150.7	0	0	0	118.2
261	Q	27.5	Very low	25.5	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	79%	0.791	S	S	*	*				-155.5	107.8	115.1	-101.6	173.4	8.2	0	0	105.9
262	S	24	Very low	25.6	Very low	85 Å²	85	151.6 Å²	151.6	59%	0.594	80%	0.799	S	S	*	*				73.1	115	93.6	64.3	0	0	0	0	112.3
263	K	26.1	Very low	26	Very low	204 Å²	204	149.4 Å²	149.4	89%	0.887	80%	0.798	S	S	*	*				57.9	130.4	84.9	-71.7	-174.9	175.2	-175.4	0	111.2
264	T	24.9	Very low	26.3	Very low	115 Å²	115	148.5 Å²	148.5	71%	0.706	79%	0.794	S	S	*	*			cis	-135.5	172.7	16.7	51.5	0	0	0	0	110.8
265	N	24.1	Very low	26.4	Very low	156 Å²	156	149 Å²	149	83%	0.834	78%	0.783	S	S	*	*				-147.4	147.8	70.6	-86	-16.1	0	0	0	114.9
266	N	25.3	Very low	27.2	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	77%	0.772	S	S	*	*			trans	-92.1	175.3	177.4	-155.8	30.3	0	0	0	107.7
267	S	25.7	Very low	27.6	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	77%	0.766	S	S	*	*			cis	-167.4	-179.7	30.5	-40.7	0	0	0	0	112.3
268	K	26.6	Very low	28.4	Very low	196 Å²	196	142.6 Å²	142.6	85%	0.852	77%	0.765	S	S	*	*			trans	87.6	139.1	161.1	-64.5	-177.3	179.3	-178.4	0	118.4
269	S	25.9	Very low	29.2	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	76%	0.759	S	S	*	*			cis	178.2	129.2	-37.3	42.3	0	0	0	0	110.1
270	N	24.3	Very low	30.1	Very low	152 Å²	152	133.3 Å²	133.3	81%	0.813	75%	0.748	S	S	*	*				163.8	158.1	123.7	-90.8	14.7	0	0	0	112.8
271	D	26.5	Very low	31.6	Very low	167 Å²	167	129.5 Å²	129.5	89%	0.893	73%	0.734	S	S	*	*			trans	-80.2	172.5	-175.3	-59.6	-92	0	0	0	114.9
272	G	26.4	Very low	33.5	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	70%	0.699	S	S	*	*			trans	176.3	81.9	175.5	0	0	0	0	0	112.7
273	V	34	Very low	35.7	Very low	140 Å²	140	123.9 Å²	123.9	85%	0.848	70%	0.699	S	S	*	*			trans	-82.9	141.7	165.6	176.8	0	0	0	0	108.6
274	E	29.4	Very low	37.9	Very low	144 Å²	144	114.2 Å²	114.2	67%	0.673	66%	0.657	S	S	*	*			trans	-168.7	176.7	151.4	-110.2	-50.5	123	0	0	112.2
275	E	28.4	Very low	39.8	Very low	88 Å²	88	113.6 Å²	113.6	41%	0.411	66%	0.655	S	S	.	*			trans	-87.8	166.9	-147	-91.6	-137.1	68.1	0	0	120.4	T138	T138-E275 PolarHBondContact OG1-OE2 2.65Å
276	S	39.2	Very low	41.9	Very low	93 Å²	93	111.1 Å²	111.1	65%	0.65	65%	0.645	S	S	*	*			trans	17.9	116.8	142.2	-64.4	0	0	0	0	120.2
277	S	34.6	Very low	44.3	Very low	109 Å²	109	106.1 Å²	106.1	76%	0.762	62%	0.622	S	S	*	*			trans	-157.5	143.4	153.8	-108.1	0	0	0	0	116.7	K279	S277-K279 PolarHBondContact O-N 3.28Å
278	N	44.8	Very low	46.3	Very low	158 Å²	158	108.1 Å²	108.1	85%	0.845	63%	0.625	S	S	*	*			trans	-68.6	89.2	176	-177.3	12.3	0	0	0	110.8	G280	N278-G280 VanDerWaalsContact C-N 3.3Å; N278-G280 PolarHBondContact O-N 3.09Å
279	K	45.3	Very low	48.4	Very low	192 Å²	192	104.8 Å²	104.8	84%	0.835	61%	0.611	S	S	*	*			trans	-71.2	83.3	-179	-78.2	175.1	178.8	165.6	0	111.4	S277	S277-K279 PolarHBondContact O-N 3.28Å
280	G	43.9	Very low	50.5	Low	58 Å²	58	103.8 Å²	103.8	60%	0.598	60%	0.603	S	S	*	*			trans	-50.7	140	-179.6	0	0	0	0	0	113.6	N278 A282	N278-G280 VanDerWaalsContact C-N 3.3Å; N278-G280 PolarHBondContact O-N 3.09Å; G280-A282 PolarHBondContact O-N 3.06Å; G280-A282 VanDerWaalsContact O-N 3.12Å
281	S	57.5	Low	53	Low	71 Å²	71	98.7 Å²	98.7	50%	0.497	57%	0.574	S	S	.	*			trans	-63.6	112.7	-178.1	58.3	0	0	0	0	110.8	K283 F291	S281-K283 PolarHBondContact O-N 2.96Å; S281-K283 VanDerWaalsContact O-N 3.11Å; S281-F291 CarbonylContact C-O 3.55Å; S281-F291 WeakPolarHBondContact CA-O 3.43Å
282	A	67	Low	55	Low	16 Å²	16	100.4 Å²	100.4	13%	0.132	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-72	107.2	-177.5	0	0	0	0	0	109.6	G280 F291 K294 L297	G280-A282 PolarHBondContact O-N 3.06Å; G280-A282 VanDerWaalsContact O-N 3.12Å; A282-F291 PolarHBondContact N-O 3.49Å; A282-F291 PolarHBondContact O-N 2.77Å; A282-K294 HydrophobicContact CB-CG 4.21Å; A282-L297 HydrophobicContact CB-CB 4.1Å; A282-L297 HydrophobicContact CB-CD2 3.66Å
283	K	69.6	Low	57.4	Low	136 Å²	136	99.2 Å²	99.2	59%	0.591	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.8	143.7	177.5	-66.2	-177.1	-179.9	178	0	110.7	S281 K289 L297	S281-K283 PolarHBondContact O-N 2.96Å; S281-K283 VanDerWaalsContact O-N 3.11Å; K283-K289 WeakPolarHBondContact CA-O 3.45Å; K283-L297 WeakPolarHBondContact O-CD2 3.4Å
284	C	72.8	Confident	59.2	Low	0 Å²	0	101 Å²	101	0%	0	55%	0.549	C	S	.	.			trans	-76.8	128.8	167.7	-177.3	0	0	0	0	110.5	V286 L288 K289 F291 L297 H300 N301 H304	C284-V286 VanDerWaalsContact C-N 3.33Å; C284-V286 PolarHBondContact O-N 3.15Å; C284-L288 WeakPolarHBondContact O-CA 3.49Å; C284-L288 PolarHBondContact O-N 3.46Å; C284-K289 PolarHBondContact N-O 3.14Å; C284-F291 HydrophobicContact CB-CE2 4.32Å; C284-L297 HydrophobicContact CB-CD1 3.69Å; C284-H300 VanDerWaalsContact SG-CD2 3.55Å; C284-H300 PolarHBondContact SG-NE2 2.95Å; C284-H300 VanDerWaalsContact SG-NE2 3.41Å; C284-N301 PolarHBondContact SG-OD1 3.48Å; C284-H304 VanDerWaalsContact SG-CD2 3.56Å; C284-H304 PolarHBondContact SG-NE2 3.46Å
285	P	65.2	Low	61.4	Low	103 Å²	103	101.5 Å²	101.5	67%	0.669	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.3	177.1	25.3	-32.6	0	0	0	112.6
286	V	68.3	Low	63.4	Low	103 Å²	103	103.1 Å²	103.1	62%	0.624	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-30.5	-173.1	-175.3	0	0	0	0	113.5	C284 H304	C284-V286 VanDerWaalsContact C-N 3.33Å; C284-V286 PolarHBondContact O-N 3.15Å; V286-H304 HydrophobicContact CG1-CB 4.47Å; V286-H304 HydrophobicContact CG2-CB 4.49Å
287	C	74.9	Confident	65.1	Low	45 Å²	45	99.9 Å²	99.9	30%	0.304	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	20.1	180	83.4	0	0	0	0	115	K289 H300	C287-K289 PolarHBondContact O-N 3.3Å; C287-H300 VanDerWaalsContact SG-CE1 3.58Å; C287-H300 PolarHBondContact SG-NE2 3.37Å
288	L	68.2	Low	66.8	Low	129 Å²	129	102 Å²	102	68%	0.675	52%	0.52	S	S	*	.			trans	56.8	0.5	170.8	-53.5	-179.2	0	0	0	117.8	C284 S290	C284-L288 WeakPolarHBondContact O-CA 3.49Å; C284-L288 PolarHBondContact O-N 3.46Å; L288-S290 PolarHBondContact O-N 3.34Å
289	K	69.6	Low	67.9	Low	127 Å²	127	95.2 Å²	95.2	55%	0.552	48%	0.484	S	S	*	.			trans	-63.5	131	179.5	-73.6	173.6	-172.7	174.7	0	110.6	K283 C284 C287 F291	K283-K289 WeakPolarHBondContact CA-O 3.45Å; C284-K289 PolarHBondContact N-O 3.14Å; C287-K289 PolarHBondContact O-N 3.3Å; K289-F291 HydrophobicContact CB-CE2 3.79Å; K289-F291 HydrophobicContact CB-CZ 3.95Å; K289-F291 VanDerWaalsContact O-CD2 3.27Å; K289-F291 WeakPolarHBondContact O-CD2 3.33Å; K289-F291 VanDerWaalsContact O-CE2 3.23Å; K289-F291 WeakPolarHBondContact O-CE2 3.45Å
290	S	70.6	Confident	69.2	Low	70 Å²	70	87.4 Å²	87.4	49%	0.49	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.2	-174.3	-61.5	0	0	0	0	111.3	L288	L288-S290 PolarHBondContact O-N 3.34Å
291	F	77.4	Confident	70.4	Confident	46 Å²	46	87 Å²	87	20%	0.202	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.5	-178	-63.9	-84.3	0	0	0	112.4	S281 A282 C284 K289 S293 L297 H300	S281-F291 CarbonylContact C-O 3.55Å; S281-F291 WeakPolarHBondContact CA-O 3.43Å; A282-F291 PolarHBondContact N-O 3.49Å; A282-F291 PolarHBondContact O-N 2.77Å; C284-F291 HydrophobicContact CB-CE2 4.32Å; K289-F291 HydrophobicContact CB-CE2 3.79Å; K289-F291 HydrophobicContact CB-CZ 3.95Å; K289-F291 VanDerWaalsContact O-CD2 3.27Å; K289-F291 WeakPolarHBondContact O-CD2 3.33Å; K289-F291 VanDerWaalsContact O-CE2 3.23Å; K289-F291 WeakPolarHBondContact O-CE2 3.45Å; F291-S293 PolarHBondContact O-N 2.96Å; F291-S293 VanDerWaalsContact O-N 3.16Å; F291-L297 HydrophobicContact CB-CB 4.27Å; F291-L297 HydrophobicContact CD2-CB 4.24Å; F291-L297 HydrophobicContact CD2-CD1 3.92Å; F291-L297 HydrophobicContact CE2-CD1 4.28Å; F291-L297 HydrophobicContact CG-CB 4.45Å; F291-H300 HydrophobicContact CE1-CB 4.02Å; F291-H300 HydrophobicContact CE2-CB 3.85Å; F291-H300 AromaticContact CE2-CD2 3.41Å; F291-H300 VanDerWaalsContact CE2-CD2 3.41Å; F291-H300 WeakPolarHBondContact CE2-CD2 3.45Å; F291-H300 AromaticContact CE2-CG 3.5Å; F291-H300 VanDerWaalsContact CE2-CG 3.5Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.58Å; F291-H300 AromaticContact CZ-CD2 3.67Å; F291-H300 AromaticContact CZ-CG 3.27Å; F291-H300 AromaticContact CZ-ND1 3.53Å
292	K	67.6	Low	71.1	Confident	203 Å²	203	86.5 Å²	86.5	88%	0.883	42%	0.422	S	S	*	.	S	Bend	trans	-70.6	-4.2	-179.1	-62.1	-175.8	178.6	-177.6	0	114.6
293	S	76.4	Confident	70.9	Confident	53 Å²	53	92.7 Å²	92.7	37%	0.371	44%	0.442	S	S	.	.	S	Bend	trans	-159.2	146.4	176.9	172.5	0	0	0	0	110.7	F291 Y295 Y296 L297	F291-S293 PolarHBondContact O-N 2.96Å; F291-S293 VanDerWaalsContact O-N 3.16Å; S293-Y295 PolarHBondContact O-N 3.42Å; S293-Y295 PolarHBondContact OG-N 3.46Å; S293-Y296 PolarHBondContact O-N 3.32Å; S293-Y296 VanDerWaalsContact O-N 3.11Å; S293-L297 PolarHBondContact O-N 3.09Å; S293-L297 VanDerWaalsContact O-N 3.11Å
294	K	72.1	Confident	70.7	Confident	177 Å²	177	89.7 Å²	89.7	77%	0.77	43%	0.43	S	S	*	.	H	α-helix	trans	-55.4	-28.6	171.1	-65.7	-175.5	179.3	-177.9	0	112.1	A282 L297 K298	A282-K294 HydrophobicContact CB-CG 4.21Å; K294-L297 PolarHBondContact O-N 2.95Å; K294-K298 PolarHBondContact O-N 3.31Å
295	Y	75.2	Confident	70.4	Confident	155 Å²	155	93.9 Å²	93.9	61%	0.608	46%	0.456	S	S	*	.	H	α-helix	trans	-62.4	-51.6	173.5	176.8	-93.9	0	0	0	112.1	S293 L297 K298 V299	S293-Y295 PolarHBondContact O-N 3.42Å; S293-Y295 PolarHBondContact OG-N 3.46Å; Y295-L297 VanDerWaalsContact C-N 3.28Å; Y295-L297 PolarHBondContact O-N 2.92Å; Y295-K298 PolarHBondContact O-N 3.28Å; Y295-K298 VanDerWaalsContact O-N 3.15Å; Y295-V299 HydrophobicContact CD1-CG2 4.38Å; Y295-V299 HydrophobicContact CE1-CG2 3.98Å; Y295-V299 HydrophobicContact CE2-CG2 4.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.31Å; Y295-V299 PolarHBondContact O-N 3.34Å
296	Y	71.7	Confident	70.3	Confident	121 Å²	121	91.3 Å²	91.3	48%	0.475	45%	0.448	S	S	.	.	H	α-helix	trans	-67.3	-30.4	178.8	-68.7	-59.7	0	0	0	112.2	S293 H300	S293-Y296 PolarHBondContact O-N 3.32Å; S293-Y296 VanDerWaalsContact O-N 3.11Å; Y296-H300 VanDerWaalsContact O-CB 3.28Å; Y296-H300 WeakPolarHBondContact O-CB 3.45Å; Y296-H300 PolarHBondContact O-N 3.09Å
297	L	73.9	Confident	70.2	Confident	25 Å²	25	91.4 Å²	91.4	13%	0.131	44%	0.442	C	S	.	.	H	α-helix	trans	-64.4	-47	168.8	175.9	59.8	0	0	0	111.9	A282 K283 C284 F291 S293 K294 Y295 V299 H300 N301	A282-L297 HydrophobicContact CB-CB 4.1Å; A282-L297 HydrophobicContact CB-CD2 3.66Å; K283-L297 WeakPolarHBondContact O-CD2 3.4Å; C284-L297 HydrophobicContact CB-CD1 3.69Å; F291-L297 HydrophobicContact CB-CB 4.27Å; F291-L297 HydrophobicContact CD2-CB 4.24Å; F291-L297 HydrophobicContact CD2-CD1 3.92Å; F291-L297 HydrophobicContact CE2-CD1 4.28Å; F291-L297 HydrophobicContact CG-CB 4.45Å; S293-L297 PolarHBondContact O-N 3.09Å; S293-L297 VanDerWaalsContact O-N 3.11Å; K294-L297 PolarHBondContact O-N 2.95Å; Y295-L297 VanDerWaalsContact C-N 3.28Å; Y295-L297 PolarHBondContact O-N 2.92Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.9Å; L297-H300 CarbonylContact O-C 3.19Å; L297-H300 WeakPolarHBondContact O-CA 3.29Å; L297-H300 WeakPolarHBondContact O-CB 3.42Å; L297-H300 PolarHBondContact O-N 2.85Å; L297-N301 VanDerWaalsContact CD1-OD1 3.25Å; L297-N301 WeakPolarHBondContact CD1-OD1 3.37Å; L297-N301 PolarHBondContact O-N 2.77Å; L297-N301 PolarHBondContact O-OD1 3.32Å
298	K	70.1	Confident	70	Confident	154 Å²	154	91.6 Å²	91.6	67%	0.67	44%	0.437	S	S	*	.	H	α-helix	trans	-61.1	-38.6	177.5	-170.1	167.9	-176	171.1	0	111.9	K294 Y295	K294-K298 PolarHBondContact O-N 3.31Å; Y295-K298 PolarHBondContact O-N 3.28Å; Y295-K298 VanDerWaalsContact O-N 3.15Å
299	V	68.1	Low	70.2	Confident	16 Å²	16	88.3 Å²	88.3	10%	0.097	42%	0.424	C	S	.	.	H	α-helix	trans	-69.2	-31.1	173.2	172.9	0	0	0	0	112.4	Y295 L297 R321	Y295-V299 HydrophobicContact CD1-CG2 4.38Å; Y295-V299 HydrophobicContact CE1-CG2 3.98Å; Y295-V299 HydrophobicContact CE2-CG2 4.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.31Å; Y295-V299 PolarHBondContact O-N 3.34Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.9Å; V299-R321 HydrophobicContact CG1-CG 3.74Å
300	H	72.9	Confident	70.5	Confident	27 Å²	27	85.2 Å²	85.2	13%	0.125	41%	0.41	C	S	.	.	H	α-helix	trans	-73.3	-41.2	173.6	169.6	71.8	0	0	0	112.4	C284 C287 F291 Y296 L297 R302 R303 H304	C284-H300 VanDerWaalsContact SG-CD2 3.55Å; C284-H300 PolarHBondContact SG-NE2 2.95Å; C284-H300 VanDerWaalsContact SG-NE2 3.41Å; C287-H300 VanDerWaalsContact SG-CE1 3.58Å; C287-H300 PolarHBondContact SG-NE2 3.37Å; F291-H300 HydrophobicContact CE1-CB 4.02Å; F291-H300 HydrophobicContact CE2-CB 3.85Å; F291-H300 AromaticContact CE2-CD2 3.41Å; F291-H300 VanDerWaalsContact CE2-CD2 3.41Å; F291-H300 WeakPolarHBondContact CE2-CD2 3.45Å; F291-H300 AromaticContact CE2-CG 3.5Å; F291-H300 VanDerWaalsContact CE2-CG 3.5Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.58Å; F291-H300 AromaticContact CZ-CD2 3.67Å; F291-H300 AromaticContact CZ-CG 3.27Å; F291-H300 AromaticContact CZ-ND1 3.53Å; Y296-H300 VanDerWaalsContact O-CB 3.28Å; Y296-H300 WeakPolarHBondContact O-CB 3.45Å; Y296-H300 PolarHBondContact O-N 3.09Å; L297-H300 CarbonylContact O-C 3.19Å; L297-H300 WeakPolarHBondContact O-CA 3.29Å; L297-H300 WeakPolarHBondContact O-CB 3.42Å; L297-H300 PolarHBondContact O-N 2.85Å; H300-R302 PolarHBondContact O-N 3.24Å; H300-R303 WeakPolarHBondContact O-CB 3.26Å; H300-R303 PolarHBondContact O-N 3.17Å; H300-H304 AromaticContact CD2-NE2 3.83Å; H300-H304 AromaticContact CE1-NE2 3.73Å; H300-H304 AromaticContact NE2-CE1 3.92Å; H300-H304 AromaticContact NE2-NE2 3.12Å; H300-H304 PolarHBondContact NE2-NE2 3.49Å; H300-H304 VanDerWaalsContact NE2-NE2 3.12Å
301	N	69.2	Low	70.6	Confident	51 Å²	51	84.2 Å²	84.2	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-63.1	-24.1	-178.4	-74.2	3.4	0	0	0	113.2	C284 L297 R303 H304 T305	C284-N301 PolarHBondContact SG-OD1 3.48Å; L297-N301 VanDerWaalsContact CD1-OD1 3.25Å; L297-N301 WeakPolarHBondContact CD1-OD1 3.37Å; L297-N301 PolarHBondContact O-N 2.77Å; L297-N301 PolarHBondContact O-OD1 3.32Å; N301-R303 PolarHBondContact O-N 2.97Å; N301-R303 VanDerWaalsContact O-N 3.16Å; N301-H304 WeakPolarHBondContact O-CA 3.36Å; N301-H304 WeakPolarHBondContact O-CB 3.45Å; N301-H304 PolarHBondContact O-N 2.81Å; N301-T305 PolarHBondContact O-N 3.44Å; N301-T305 VanDerWaalsContact O-N 3.09Å
302	R	72.3	Confident	70.5	Confident	59 Å²	59	82.1 Å²	82.1	22%	0.223	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.1	168.7	-70.4	-179.4	172.9	161.8	-0.8	114.4	H300 H304 T305 G306 E307 F320	H300-R302 PolarHBondContact O-N 3.24Å; R302-H304 VanDerWaalsContact C-N 3.28Å; R302-T305 WeakPolarHBondContact CA-OG1 3.46Å; R302-G306 PolarHBondContact O-N 2.91Å; R302-G306 VanDerWaalsContact O-N 3.13Å; R302-E307 HydrophobicContact CG-CB 4.4Å; R302-F320 HydrophobicContact CB-CD1 4.06Å; R302-F320 PolarHBondContact NH1-O 2.91Å; R302-F320 VanDerWaalsContact O-CE1 3.3Å; R302-F320 WeakPolarHBondContact O-CE1 3.46Å
303	R	64.1	Low	70.6	Confident	147 Å²	147	78.4 Å²	78.4	56%	0.555	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-21	171.8	-174.7	173.3	163.7	153.4	-2.5	112.4	H300 N301	H300-R303 WeakPolarHBondContact O-CB 3.26Å; H300-R303 PolarHBondContact O-N 3.17Å; N301-R303 PolarHBondContact O-N 2.97Å; N301-R303 VanDerWaalsContact O-N 3.16Å
304	H	65.4	Low	69.8	Low	73 Å²	73	84.5 Å²	84.5	34%	0.338	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-36.8	175.5	-53.3	-52.1	0	0	0	111.7	C284 V286 H300 N301 R302 G306	C284-H304 VanDerWaalsContact SG-CD2 3.56Å; C284-H304 PolarHBondContact SG-NE2 3.46Å; V286-H304 HydrophobicContact CG1-CB 4.47Å; V286-H304 HydrophobicContact CG2-CB 4.49Å; H300-H304 AromaticContact CD2-NE2 3.83Å; H300-H304 AromaticContact CE1-NE2 3.73Å; H300-H304 AromaticContact NE2-CE1 3.92Å; H300-H304 AromaticContact NE2-NE2 3.12Å; H300-H304 PolarHBondContact NE2-NE2 3.49Å; H300-H304 VanDerWaalsContact NE2-NE2 3.12Å; N301-H304 WeakPolarHBondContact O-CA 3.36Å; N301-H304 WeakPolarHBondContact O-CB 3.45Å; N301-H304 PolarHBondContact O-N 2.81Å; R302-H304 VanDerWaalsContact C-N 3.28Å; H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å
305	T	65.8	Low	69.4	Low	88 Å²	88	78.6 Å²	78.6	54%	0.54	40%	0.397	S	S	.	.	S	Bend	trans	-81	-4.4	175.3	64.2	0	0	0	0	114.1	N301 R302 E307	N301-T305 PolarHBondContact O-N 3.44Å; N301-T305 VanDerWaalsContact O-N 3.09Å; R302-T305 WeakPolarHBondContact CA-OG1 3.46Å; T305-E307 PolarHBondContact O-N 3.42Å; T305-E307 WeakPolarHBondContact OG1-CG 3.16Å
306	G	63.2	Low	68.9	Low	49 Å²	49	73.8 Å²	73.8	51%	0.505	40%	0.395	S	S	.	.			trans	70.1	-10.3	-178.8	0	0	0	0	0	115.6	R302 H304 K308	R302-G306 PolarHBondContact O-N 2.91Å; R302-G306 VanDerWaalsContact O-N 3.13Å; H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å; G306-K308 PolarHBondContact O-N 3.22Å
307	E	65.5	Low	68.6	Low	105 Å²	105	71.6 Å²	71.6	49%	0.491	39%	0.388	S	S	.	.			trans	-55.8	117.9	-176.6	-71.7	177.2	-177.2	0	0	113.1	R302 T305 P309 F320	R302-E307 HydrophobicContact CG-CB 4.4Å; T305-E307 PolarHBondContact O-N 3.42Å; T305-E307 WeakPolarHBondContact OG1-CG 3.16Å; E307-P309 WeakPolarHBondContact O-CD 3.14Å; E307-F320 WeakPolarHBondContact O-CD1 3.11Å; E307-F320 WeakPolarHBondContact O-CE1 3.48Å
308	K	70.1	Confident	68.4	Low	49 Å²	49	77.6 Å²	77.6	21%	0.213	41%	0.409	C	S	.	.			trans	-114.3	87.2	171.7	-66.1	167.8	178.7	-179.2	0	109.4	G306 F310 R318 Y319 F320 S345	G306-K308 PolarHBondContact O-N 3.22Å; K308-F310 PolarHBondContact O-N 3.36Å; K308-R318 HydrophobicContact CB-CB 3.55Å; K308-R318 HydrophobicContact CD-CB 4.23Å; K308-R318 HydrophobicContact CG-CB 4.47Å; K308-R318 PolarHBondContact O-NE 2.73Å; K308-R318 PolarHBondContact O-NH2 3.12Å; K308-Y319 CarbonylContact C-O 3.5Å; K308-F320 HydrophobicContact CD-CE1 4.48Å; K308-F320 HydrophobicContact CD-CE2 4.43Å; K308-F320 HydrophobicContact CD-CZ 4.15Å; K308-F320 HydrophobicContact CG-CD1 3.9Å; K308-F320 HydrophobicContact CG-CD2 4.38Å; K308-F320 HydrophobicContact CG-CE1 3.58Å; K308-F320 HydrophobicContact CG-CE2 4.11Å; K308-F320 HydrophobicContact CG-CG 4.29Å; K308-F320 HydrophobicContact CG-CZ 3.71Å; K308-S345 PolarHBondContact NZ-O 3.4Å
309	P	73.3	Confident	68.5	Low	60 Å²	60	71.8 Å²	71.8	39%	0.39	38%	0.383	S	S	.	.			trans	-76.2	-21	-170.1	-18.3	34	0	0	0	114.6	E307 Y319	E307-P309 WeakPolarHBondContact O-CD 3.14Å; P309-Y319 WeakPolarHBondContact CD-O 3.28Å
310	F	75.6	Confident	68.6	Low	61 Å²	61	73.2 Å²	73.2	27%	0.268	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	97.9	-172.5	-55.7	-76.7	0	0	0	110.1	K308 R318 Y319 K322 L325	K308-F310 PolarHBondContact O-N 3.36Å; F310-R318 CarbonylContact O-C 3.56Å; F310-R318 WeakPolarHBondContact O-CA 3.5Å; F310-Y319 PolarHBondContact N-O 2.88Å; F310-Y319 VanDerWaalsContact N-O 3.14Å; F310-Y319 PolarHBondContact O-N 3.08Å; F310-K322 HydrophobicContact CD1-CB 3.96Å; F310-K322 HydrophobicContact CD1-CG 4.43Å; F310-K322 HydrophobicContact CE1-CB 3.81Å; F310-K322 HydrophobicContact CE1-CG 4.47Å; F310-K322 HydrophobicContact CG-CB 4.38Å; F310-K322 HydrophobicContact CZ-CB 4.11Å; F310-L325 HydrophobicContact CB-CB 4.27Å; F310-L325 HydrophobicContact CB-CD2 3.91Å
311	A	72.6	Confident	68.5	Low	50 Å²	50	76.8 Å²	76.8	41%	0.413	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	143.5	174.5	0	0	0	0	0	111.1	R318 L325	A311-R318 HydrophobicContact CB-CG 4.06Å; A311-L325 WeakPolarHBondContact O-CD2 3.16Å
312	C	76.1	Confident	68.5	Low	2 Å²	2	81.6 Å²	81.6	1%	0.014	42%	0.419	C	S	.	.			trans	-84.3	117.6	168.2	-173.3	0	0	0	0	110.7	K314 C315 G316 K317 Y319 L325	C312-K314 PolarHBondContact O-N 3.44Å; C312-C315 PolarHBondContact O-N 3.16Å; C312-G316 PolarHBondContact O-N 3.43Å; C312-K317 PolarHBondContact N-O 3.3Å; C312-Y319 HydrophobicContact CB-CE2 4.49Å; C312-L325 HydrophobicContact CB-CD1 3.43Å; C312-L325 VanDerWaalsContact CB-CD1 3.43Å
313	S	69.1	Low	68.3	Low	124 Å²	124	84.6 Å²	84.6	87%	0.867	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	-179.4	-45.3	0	0	0	0	114.1
314	K	59.7	Low	68.6	Low	181 Å²	181	81.1 Å²	81.1	79%	0.787	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-12	-179	-64.7	-172.8	179.2	-174.7	0	114.8	C312 C333	C312-K314 PolarHBondContact O-N 3.44Å; K314-C333 HydrophobicContact CB-CB 4.2Å
315	C	63.9	Low	68.9	Low	54 Å²	54	78.4 Å²	78.4	37%	0.365	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	4.1	-177.5	75.4	0	0	0	0	115.9	C312 K317 H328 C333	C312-C315 PolarHBondContact O-N 3.16Å; C315-K317 PolarHBondContact O-N 3.31Å; C315-H328 PolarHBondContact SG-NE2 3.31Å; C315-C333 HydrophobicContact CB-CB 4.46Å
316	G	63.6	Low	69.2	Low	54 Å²	54	77.4 Å²	77.4	56%	0.557	41%	0.412	S	S	*	.			trans	71.2	-10.8	179	0	0	0	0	0	116	C312 R318	C312-G316 PolarHBondContact O-N 3.43Å; G316-R318 WeakPolarHBondContact O-CG 3.31Å; G316-R318 PolarHBondContact O-N 2.84Å
317	K	65.3	Low	69.6	Low	75 Å²	75	77.7 Å²	77.7	33%	0.326	40%	0.404	S	S	.	.			trans	-60.2	129.1	-179.4	-67.2	-178.5	-179.7	-175.8	0	110.6	C312 C315 Y319 T338	C312-K317 PolarHBondContact N-O 3.3Å; C315-K317 PolarHBondContact O-N 3.31Å; K317-Y319 HydrophobicContact CB-CE2 3.8Å; K317-Y319 WeakPolarHBondContact CB-OH 3.46Å; K317-Y319 WeakPolarHBondContact O-CD2 3.2Å; K317-Y319 VanDerWaalsContact O-CE2 3.26Å; K317-Y319 WeakPolarHBondContact O-CE2 3.28Å; K317-T338 PolarHBondContact NZ-OG1 3.4Å; K317-T338 VanDerWaalsContact NZ-OG1 3.08Å
318	R	69.9	Low	69.7	Low	151 Å²	151	74.3 Å²	74.3	57%	0.57	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.1	-175.1	-56.4	-178.8	62.6	163.4	1.1	111.9	K308 F310 A311 G316	K308-R318 HydrophobicContact CB-CB 3.55Å; K308-R318 HydrophobicContact CD-CB 4.23Å; K308-R318 HydrophobicContact CG-CB 4.47Å; K308-R318 PolarHBondContact O-NE 2.73Å; K308-R318 PolarHBondContact O-NH2 3.12Å; F310-R318 CarbonylContact O-C 3.56Å; F310-R318 WeakPolarHBondContact O-CA 3.5Å; A311-R318 HydrophobicContact CB-CG 4.06Å; G316-R318 WeakPolarHBondContact O-CG 3.31Å; G316-R318 PolarHBondContact O-N 2.84Å
319	Y	73.8	Confident	69.6	Low	31 Å²	31	76.1 Å²	76.1	12%	0.122	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.1	-172.9	-59.9	-85.3	0	0	0	112.6	K308 P309 F310 C312 K317 N324 L325 H328	K308-Y319 CarbonylContact C-O 3.5Å; P309-Y319 WeakPolarHBondContact CD-O 3.28Å; F310-Y319 PolarHBondContact N-O 2.88Å; F310-Y319 VanDerWaalsContact N-O 3.14Å; F310-Y319 PolarHBondContact O-N 3.08Å; C312-Y319 HydrophobicContact CB-CE2 4.49Å; K317-Y319 HydrophobicContact CB-CE2 3.8Å; K317-Y319 WeakPolarHBondContact CB-OH 3.46Å; K317-Y319 WeakPolarHBondContact O-CD2 3.2Å; K317-Y319 VanDerWaalsContact O-CE2 3.26Å; K317-Y319 WeakPolarHBondContact O-CE2 3.28Å; Y319-N324 HydrophobicContact CD1-CB 3.99Å; Y319-N324 HydrophobicContact CG-CB 4.37Å; Y319-L325 HydrophobicContact CD2-CB 4.08Å; Y319-L325 HydrophobicContact CD2-CD1 3.91Å; Y319-L325 HydrophobicContact CE2-CD1 4.07Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; Y319-H328 HydrophobicContact CE1-CB 4.5Å; Y319-H328 HydrophobicContact CE2-CB 4.36Å; Y319-H328 AromaticContact CE2-CD2 3.6Å; Y319-H328 AromaticContact CZ-CD2 3.64Å; Y319-H328 AromaticContact CZ-CG 3.84Å; Y319-H328 PolarHBondContact OH-CD2 2.94Å; Y319-H328 VanDerWaalsContact OH-CG 3.23Å
320	F	69.3	Low	69.3	Low	47 Å²	47	77.8 Å²	77.8	21%	0.206	41%	0.41	C	S	.	.	S	Bend	trans	-77	-18.4	177.7	-60.2	-78.4	0	0	0	113.8	R302 E307 K308 L346	R302-F320 HydrophobicContact CB-CD1 4.06Å; R302-F320 PolarHBondContact NH1-O 2.91Å; R302-F320 VanDerWaalsContact O-CE1 3.3Å; R302-F320 WeakPolarHBondContact O-CE1 3.46Å; E307-F320 WeakPolarHBondContact O-CD1 3.11Å; E307-F320 WeakPolarHBondContact O-CE1 3.48Å; K308-F320 HydrophobicContact CD-CE1 4.48Å; K308-F320 HydrophobicContact CD-CE2 4.43Å; K308-F320 HydrophobicContact CD-CZ 4.15Å; K308-F320 HydrophobicContact CG-CD1 3.9Å; K308-F320 HydrophobicContact CG-CD2 4.38Å; K308-F320 HydrophobicContact CG-CE1 3.58Å; K308-F320 HydrophobicContact CG-CE2 4.11Å; K308-F320 HydrophobicContact CG-CG 4.29Å; K308-F320 HydrophobicContact CG-CZ 3.71Å; F320-L346 HydrophobicContact CE2-CD2 4.19Å
321	R	70.9	Confident	68.7	Low	102 Å²	102	83.4 Å²	83.4	39%	0.385	43%	0.43	S	S	.	.			trans	-137.7	144.3	-176.5	-60.8	-176.9	-177.5	-173.3	2.2	111.6	V299 E323 N324 L325	V299-R321 HydrophobicContact CG1-CG 3.74Å; R321-E323 VanDerWaalsContact C-N 3.29Å; R321-E323 HydrophobicContact CB-CB 4.39Å; R321-E323 IonicContact NH1-OE2 2.67Å; R321-E323 PolarHBondContact NH1-OE2 2.62Å; R321-E323 PolarHBondContact O-N 3.23Å; R321-N324 HydrophobicContact CB-CB 4.39Å; R321-N324 WeakPolarHBondContact CD-OD1 3.48Å; R321-N324 PolarHBondContact O-N 3.44Å; R321-L325 PolarHBondContact O-N 3.14Å
322	K	70.2	Confident	67.9	Low	151 Å²	151	82.8 Å²	82.8	66%	0.657	43%	0.428	S	S	*	.	H	α-helix	trans	-63.1	-34.6	171.5	-169.8	176.3	180	179.5	0	112.5	F310 L325 S326	F310-K322 HydrophobicContact CD1-CB 3.96Å; F310-K322 HydrophobicContact CD1-CG 4.43Å; F310-K322 HydrophobicContact CE1-CB 3.81Å; F310-K322 HydrophobicContact CE1-CG 4.47Å; F310-K322 HydrophobicContact CG-CB 4.38Å; F310-K322 HydrophobicContact CZ-CB 4.11Å; K322-L325 PolarHBondContact O-N 3.35Å; K322-S326 PolarHBondContact O-N 3.31Å
323	E	68.1	Low	67.3	Low	122 Å²	122	85.1 Å²	85.1	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-55	-52	172.8	179.8	-178.2	-141.3	0	0	111.6	R321 L325 S326 V327	R321-E323 VanDerWaalsContact C-N 3.29Å; R321-E323 HydrophobicContact CB-CB 4.39Å; R321-E323 IonicContact NH1-OE2 2.67Å; R321-E323 PolarHBondContact NH1-OE2 2.62Å; R321-E323 PolarHBondContact O-N 3.23Å; E323-L325 VanDerWaalsContact C-N 3.29Å; E323-L325 PolarHBondContact O-N 3.29Å; E323-S326 PolarHBondContact O-N 2.9Å; E323-V327 WeakPolarHBondContact O-CB 3.3Å; E323-V327 VanDerWaalsContact O-CG2 3.29Å; E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 2.86Å
324	N	69.3	Low	66.4	Low	75 Å²	75	83 Å²	83	40%	0.401	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-34.6	177.7	-66.4	48	0	0	0	112.9	Y319 R321 H328	Y319-N324 HydrophobicContact CD1-CB 3.99Å; Y319-N324 HydrophobicContact CG-CB 4.37Å; R321-N324 HydrophobicContact CB-CB 4.39Å; R321-N324 WeakPolarHBondContact CD-OD1 3.48Å; R321-N324 PolarHBondContact O-N 3.44Å; N324-H328 WeakPolarHBondContact O-CB 3.33Å; N324-H328 PolarHBondContact O-N 2.8Å; N324-H328 VanDerWaalsContact O-N 3.09Å
325	L	72.5	Confident	66	Low	16 Å²	16	86.5 Å²	86.5	8%	0.084	44%	0.442	C	S	.	.	H	α-helix	trans	-67.3	-50.4	174.8	173	59.3	0	0	0	111	F310 A311 C312 Y319 R321 K322 E323 V327 H328 E329	F310-L325 HydrophobicContact CB-CB 4.27Å; F310-L325 HydrophobicContact CB-CD2 3.91Å; A311-L325 WeakPolarHBondContact O-CD2 3.16Å; C312-L325 HydrophobicContact CB-CD1 3.43Å; C312-L325 VanDerWaalsContact CB-CD1 3.43Å; Y319-L325 HydrophobicContact CD2-CB 4.08Å; Y319-L325 HydrophobicContact CD2-CD1 3.91Å; Y319-L325 HydrophobicContact CE2-CD1 4.07Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; R321-L325 PolarHBondContact O-N 3.14Å; K322-L325 PolarHBondContact O-N 3.35Å; E323-L325 VanDerWaalsContact C-N 3.29Å; E323-L325 PolarHBondContact O-N 3.29Å; L325-V327 VanDerWaalsContact C-N 3.28Å; L325-V327 PolarHBondContact O-N 2.9Å; L325-H328 CarbonylContact O-C 3.55Å; L325-H328 WeakPolarHBondContact O-CA 3.47Å; L325-H328 WeakPolarHBondContact O-CB 3.36Å; L325-H328 PolarHBondContact O-N 3.27Å; L325-E329 HydrophobicContact CD1-CG 3.95Å; L325-E329 WeakPolarHBondContact CD1-OE1 3.48Å; L325-E329 HydrophobicContact CG-CG 4.43Å; L325-E329 WeakPolarHBondContact O-CG 3.34Å; L325-E329 PolarHBondContact O-N 2.92Å
326	S	72.2	Confident	65.6	Low	66 Å²	66	87.5 Å²	87.5	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-34.7	177.8	178.1	0	0	0	0	112.8	K322 E323 H328 S330	K322-S326 PolarHBondContact O-N 3.31Å; E323-S326 PolarHBondContact O-N 2.9Å; S326-H328 VanDerWaalsContact C-N 3.32Å; S326-S330 WeakPolarHBondContact O-CB 3.34Å; S326-S330 PolarHBondContact O-N 2.89Å; S326-S330 PolarHBondContact O-OG 2.82Å
327	V	70	Confident	65.1	Low	56 Å²	56	89 Å²	89	34%	0.339	45%	0.448	S	S	.	.	H	α-helix	trans	-73.1	-21.5	173.5	169.2	0	0	0	0	112.8	E323 L325 R331	E323-V327 WeakPolarHBondContact O-CB 3.3Å; E323-V327 VanDerWaalsContact O-CG2 3.29Å; E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 2.86Å; L325-V327 VanDerWaalsContact C-N 3.28Å; L325-V327 PolarHBondContact O-N 2.9Å; V327-R331 VanDerWaalsContact O-CD 3.28Å; V327-R331 WeakPolarHBondContact O-CD 3.39Å; V327-R331 VanDerWaalsContact O-CG 3.28Å; V327-R331 WeakPolarHBondContact O-CG 3.11Å
328	H	68.9	Low	65.1	Low	33 Å²	33	87 Å²	87	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-82.2	-43.7	170.4	165.5	46.4	0	0	0	111.3	C315 Y319 N324 L325 S326 R331 G332	C315-H328 PolarHBondContact SG-NE2 3.31Å; Y319-H328 HydrophobicContact CE1-CB 4.5Å; Y319-H328 HydrophobicContact CE2-CB 4.36Å; Y319-H328 AromaticContact CE2-CD2 3.6Å; Y319-H328 AromaticContact CZ-CD2 3.64Å; Y319-H328 AromaticContact CZ-CG 3.84Å; Y319-H328 PolarHBondContact OH-CD2 2.94Å; Y319-H328 VanDerWaalsContact OH-CG 3.23Å; N324-H328 WeakPolarHBondContact O-CB 3.33Å; N324-H328 PolarHBondContact O-N 2.8Å; N324-H328 VanDerWaalsContact O-N 3.09Å; L325-H328 CarbonylContact O-C 3.55Å; L325-H328 WeakPolarHBondContact O-CA 3.47Å; L325-H328 WeakPolarHBondContact O-CB 3.36Å; L325-H328 PolarHBondContact O-N 3.27Å; S326-H328 VanDerWaalsContact C-N 3.32Å; H328-R331 PolarHBondContact O-N 3.04Å; H328-G332 PolarHBondContact O-N 2.7Å
329	E	68.1	Low	65.1	Low	88 Å²	88	83.9 Å²	83.9	41%	0.411	43%	0.431	S	S	.	.	H	α-helix	trans	-64.9	-40.8	179.7	-70.8	170.5	152.5	0	0	112	L325 R331 G332	L325-E329 HydrophobicContact CD1-CG 3.95Å; L325-E329 WeakPolarHBondContact CD1-OE1 3.48Å; L325-E329 HydrophobicContact CG-CG 4.43Å; L325-E329 WeakPolarHBondContact O-CG 3.34Å; L325-E329 PolarHBondContact O-N 2.92Å; E329-R331 PolarHBondContact O-N 3.37Å; E329-G332 PolarHBondContact O-N 3.25Å
330	S	65.9	Low	64.9	Low	95 Å²	95	87.5 Å²	87.5	66%	0.664	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12	175.7	57.4	0	0	0	0	114.7	S326	S326-S330 WeakPolarHBondContact O-CB 3.34Å; S326-S330 PolarHBondContact O-N 2.89Å; S326-S330 PolarHBondContact O-OG 2.82Å
331	R	62.9	Low	65.3	Low	179 Å²	179	85.3 Å²	85.3	68%	0.675	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	0.6	173	-70.5	177.5	-179	156.5	2.1	113.5	V327 H328 E329	V327-R331 VanDerWaalsContact O-CD 3.28Å; V327-R331 WeakPolarHBondContact O-CD 3.39Å; V327-R331 VanDerWaalsContact O-CG 3.28Å; V327-R331 WeakPolarHBondContact O-CG 3.11Å; H328-R331 PolarHBondContact O-N 3.04Å; E329-R331 PolarHBondContact O-N 3.37Å
332	G	57.3	Low	65.4	Low	36 Å²	36	85.8 Å²	85.8	37%	0.371	46%	0.461	S	S	.	.			trans	77.8	143.6	-178.3	0	0	0	0	0	113.3	H328 E329 A334	H328-G332 PolarHBondContact O-N 2.7Å; E329-G332 PolarHBondContact O-N 3.25Å; G332-A334 PolarHBondContact O-N 2.95Å
333	C	61.6	Low	65.5	Low	51 Å²	51	83 Å²	83	35%	0.345	46%	0.456	S	S	.	.	S	Bend	trans	-81.9	26.4	172.3	-75.1	0	0	0	0	113.2	K314 C315	K314-C333 HydrophobicContact CB-CB 4.2Å; C315-C333 HydrophobicContact CB-CB 4.46Å
334	A	51.6	Low	65.9	Low	80 Å²	80	79.3 Å²	79.3	66%	0.661	44%	0.444	S	S	*	.	S	Bend	trans	-65.9	158.2	172.4	0	0	0	0	0	110.9	G332 V336	G332-A334 PolarHBondContact O-N 2.95Å; A334-V336 PolarHBondContact O-N 2.84Å
335	R	50.7	Low	66	Low	255 Å²	255	79.3 Å²	79.3	96%	0.962	45%	0.45	S	S	*	.			trans	-73.8	60.9	-174.8	-67.4	177.2	173.1	165.6	-4.3	113.2	S337	R335-S337 PolarHBondContact O-N 3.39Å
336	V	55.7	Low	66	Low	75 Å²	75	81.1 Å²	81.1	46%	0.455	46%	0.459	S	S	.	.			trans	-57.3	126.9	157.4	179.5	0	0	0	0	107.1	A334 T338 N349	A334-V336 PolarHBondContact O-N 2.84Å; V336-T338 HydrophobicContact CB-CG2 4.33Å; V336-T338 HydrophobicContact CG1-CG2 4.16Å; V336-T338 PolarHBondContact O-N 3.26Å; V336-N349 HydrophobicContact CG1-CB 4.48Å
337	S	53.7	Low	65.9	Low	85 Å²	85	80.4 Å²	80.4	59%	0.594	45%	0.454	S	S	*	.			trans	-69.6	73.6	176.2	42.7	0	0	0	0	110	R335 Y339	R335-S337 PolarHBondContact O-N 3.39Å; S337-Y339 WeakPolarHBondContact O-CD2 3.47Å; S337-Y339 WeakPolarHBondContact O-CE2 3.44Å; S337-Y339 PolarHBondContact O-N 3.24Å
338	T	64.6	Low	66.2	Low	32 Å²	32	79.5 Å²	79.5	20%	0.196	45%	0.446	C	S	.	.			trans	-67.4	110	-172.6	51.6	0	0	0	0	110.6	K317 V336 I340 F348	K317-T338 PolarHBondContact NZ-OG1 3.4Å; K317-T338 VanDerWaalsContact NZ-OG1 3.08Å; V336-T338 HydrophobicContact CB-CG2 4.33Å; V336-T338 HydrophobicContact CG1-CG2 4.16Å; V336-T338 PolarHBondContact O-N 3.26Å; T338-I340 WeakPolarHBondContact O-CG1 3.29Å; T338-I340 PolarHBondContact O-N 2.87Å; T338-F348 CarbonylContact C-O 3.54Å; T338-F348 WeakPolarHBondContact CA-O 3.45Å
339	Y	70.9	Confident	66.4	Low	86 Å²	86	81.9 Å²	81.9	34%	0.337	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	112.6	177.7	-68.5	-89.4	0	0	0	109.2	S337 F348 K351	S337-Y339 WeakPolarHBondContact O-CD2 3.47Å; S337-Y339 WeakPolarHBondContact O-CE2 3.44Å; S337-Y339 PolarHBondContact O-N 3.24Å; Y339-F348 PolarHBondContact N-O 3.38Å; Y339-F348 PolarHBondContact O-N 3.31Å; Y339-K351 HydrophobicContact CD1-CB 3.99Å; Y339-K351 HydrophobicContact CD1-CG 4.1Å; Y339-K351 HydrophobicContact CE1-CB 3.62Å; Y339-K351 HydrophobicContact CE1-CD 4.1Å; Y339-K351 HydrophobicContact CE1-CG 3.82Å; Y339-K351 HydrophobicContact CE2-CB 4.22Å; Y339-K351 HydrophobicContact CG-CB 4.43Å
340	I	68.1	Low	66.8	Low	107 Å²	107	80.6 Å²	80.6	55%	0.549	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.7	-176.9	-53.6	-177.8	0	0	0	109.7	T338 S342 L346	T338-I340 WeakPolarHBondContact O-CG1 3.29Å; T338-I340 PolarHBondContact O-N 2.87Å; I340-S342 PolarHBondContact O-N 3.19Å; I340-L346 WeakPolarHBondContact CA-O 3.47Å
341	C	77.3	Confident	67.3	Low	1 Å²	1	82.5 Å²	82.5	1%	0.007	45%	0.454	C	S	.	.			trans	-76.8	118.8	171.1	-172.7	0	0	0	0	111	T343 C344 S345 L346 F348 L354 H361	C341-T343 VanDerWaalsContact C-N 3.26Å; C341-T343 PolarHBondContact O-N 3.15Å; C341-C344 PolarHBondContact O-N 2.78Å; C341-S345 WeakPolarHBondContact O-CA 3.38Å; C341-S345 PolarHBondContact O-N 3.48Å; C341-L346 PolarHBondContact N-O 2.95Å; C341-F348 HydrophobicContact CB-CE2 4.21Å; C341-L354 VanDerWaalsContact CA-CD1 3.5Å; C341-L354 HydrophobicContact CB-CD1 3.51Å; C341-H361 VanDerWaalsContact SG-CD2 3.53Å; C341-H361 PolarHBondContact SG-NE2 3.27Å; C341-H361 VanDerWaalsContact SG-NE2 3.35Å
342	S	73.9	Confident	68	Low	113 Å²	113	77.5 Å²	77.5	79%	0.79	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.3	176.8	46.2	0	0	0	0	112.9	I340 C344	I340-S342 PolarHBondContact O-N 3.19Å; S342-C344 PolarHBondContact O-N 3.13Å
343	T	71.5	Confident	68.9	Low	91 Å²	91	79.6 Å²	79.6	56%	0.558	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.4	-173.9	-32.3	0	0	0	0	114.7	C341 H361	C341-T343 VanDerWaalsContact C-N 3.26Å; C341-T343 PolarHBondContact O-N 3.15Å; T343-H361 HydrophobicContact CG2-CB 4.05Å
344	C	76.9	Confident	69.7	Low	46 Å²	46	78.6 Å²	78.6	31%	0.311	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	5.6	-175	79.1	0	0	0	0	116.1	C341 S342 L346 H357 H361	C341-C344 PolarHBondContact O-N 2.78Å; S342-C344 PolarHBondContact O-N 3.13Å; C344-L346 VanDerWaalsContact C-N 3.27Å; C344-L346 PolarHBondContact O-N 3.02Å; C344-H357 PolarHBondContact SG-NE2 2.88Å; C344-H361 VanDerWaalsContact SG-CE1 3.59Å; C344-H361 PolarHBondContact SG-NE2 3.4Å
345	S	71.2	Confident	70.9	Confident	75 Å²	75	81 Å²	81	52%	0.524	42%	0.422	S	S	.	.			trans	51.6	43	176.9	-54.5	0	0	0	0	113.9	K308 C341	K308-S345 PolarHBondContact NZ-O 3.4Å; C341-S345 WeakPolarHBondContact O-CA 3.38Å; C341-S345 PolarHBondContact O-N 3.48Å
346	L	72.8	Confident	72.1	Confident	54 Å²	54	69.9 Å²	69.9	28%	0.283	38%	0.382	S	S	.	.			trans	-92.4	139	164.2	-74.1	177.8	0	0	0	110	F320 I340 C341 C344 F348	F320-L346 HydrophobicContact CE2-CD2 4.19Å; I340-L346 WeakPolarHBondContact CA-O 3.47Å; C341-L346 PolarHBondContact N-O 2.95Å; C344-L346 VanDerWaalsContact C-N 3.27Å; C344-L346 PolarHBondContact O-N 3.02Å; L346-F348 HydrophobicContact CB-CE2 3.61Å; L346-F348 HydrophobicContact CB-CZ 3.73Å; L346-F348 HydrophobicContact CD1-CZ 4.31Å; L346-F348 WeakPolarHBondContact O-CE2 3.42Å
347	S	70.8	Confident	73.2	Confident	51 Å²	51	67.4 Å²	67.4	36%	0.357	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.9	-178.1	58.4	0	0	0	0	111.7
348	F	76.1	Confident	74.3	Confident	37 Å²	37	65.4 Å²	65.4	16%	0.162	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	154.9	179	-60.5	-82.3	0	0	0	110.8	T338 Y339 C341 L346 E353 L354 H357	T338-F348 CarbonylContact C-O 3.54Å; T338-F348 WeakPolarHBondContact CA-O 3.45Å; Y339-F348 PolarHBondContact N-O 3.38Å; Y339-F348 PolarHBondContact O-N 3.31Å; C341-F348 HydrophobicContact CB-CE2 4.21Å; L346-F348 HydrophobicContact CB-CE2 3.61Å; L346-F348 HydrophobicContact CB-CZ 3.73Å; L346-F348 HydrophobicContact CD1-CZ 4.31Å; L346-F348 WeakPolarHBondContact O-CE2 3.42Å; F348-E353 HydrophobicContact CB-CB 3.79Å; F348-E353 HydrophobicContact CD1-CB 3.93Å; F348-E353 HydrophobicContact CG-CB 4.16Å; F348-L354 HydrophobicContact CB-CB 4.22Å; F348-L354 HydrophobicContact CD2-CB 4.1Å; F348-L354 HydrophobicContact CD2-CD1 3.86Å; F348-L354 HydrophobicContact CE2-CD1 4.18Å; F348-L354 HydrophobicContact CG-CB 4.33Å; F348-H357 HydrophobicContact CE1-CB 3.83Å; F348-H357 AromaticContact CE1-CG 3.98Å; F348-H357 HydrophobicContact CE2-CB 3.87Å; F348-H357 AromaticContact CE2-CD2 3.19Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.48Å; F348-H357 AromaticContact CE2-CG 3.6Å; F348-H357 HydrophobicContact CZ-CB 3.48Å; F348-H357 VanDerWaalsContact CZ-CB 3.48Å; F348-H357 AromaticContact CZ-CD2 3.23Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.45Å; F348-H357 AromaticContact CZ-CG 3.18Å; F348-H357 AromaticContact CZ-ND1 3.87Å; F348-H357 AromaticContact CZ-NE2 3.9Å
349	N	72.3	Confident	75	Confident	83 Å²	83	64.6 Å²	64.6	44%	0.444	35%	0.345	S	S	.	.	S	Bend	trans	-86.8	-21.2	-177	-54.7	-49.1	0	0	0	111.9	V336 E353	V336-N349 HydrophobicContact CG1-CB 4.48Å; N349-E353 PolarHBondContact N-OE2 2.9Å
350	T	76.1	Confident	75	Confident	61 Å²	61	63.8 Å²	63.8	37%	0.374	35%	0.352	S	S	.	.	S	Bend	trans	-130.3	155.2	177.9	70.6	0	0	0	0	112.4	E352 E353 L354	T350-E352 PolarHBondContact O-N 3.37Å; T350-E353 PolarHBondContact N-OE2 3.3Å; T350-E353 PolarHBondContact O-N 2.91Å; T350-E353 WeakPolarHBondContact OG1-CB 3.43Å; T350-E353 VanDerWaalsContact OG1-CG 3.27Å; T350-E353 WeakPolarHBondContact OG1-CG 3.43Å; T350-E353 PolarHBondContact OG1-N 3.22Å; T350-E353 VanDerWaalsContact OG1-N 3.08Å; T350-L354 PolarHBondContact O-N 2.64Å; T350-L354 VanDerWaalsContact O-N 3.12Å
351	K	78.3	Confident	75.3	Confident	135 Å²	135	61.9 Å²	61.9	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-61.5	-30.4	174.8	-164.5	171.7	-178.2	175	0	112	Y339 R355	Y339-K351 HydrophobicContact CD1-CB 3.99Å; Y339-K351 HydrophobicContact CD1-CG 4.1Å; Y339-K351 HydrophobicContact CE1-CB 3.62Å; Y339-K351 HydrophobicContact CE1-CD 4.1Å; Y339-K351 HydrophobicContact CE1-CG 3.82Å; Y339-K351 HydrophobicContact CE2-CB 4.22Å; Y339-K351 HydrophobicContact CG-CB 4.43Å; K351-R355 WeakPolarHBondContact O-CB 3Å; K351-R355 PolarHBondContact O-N 3.08Å
352	E	76.9	Confident	75	Confident	73 Å²	73	65.6 Å²	65.6	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-75.2	-41.6	178.2	-170.2	68.5	173.3	0	0	112	T350 L354 R355 V356	T350-E352 PolarHBondContact O-N 3.37Å; E352-L354 VanDerWaalsContact C-N 3.29Å; E352-L354 PolarHBondContact O-N 2.96Å; E352-R355 PolarHBondContact O-N 2.8Å; E352-R355 WeakPolarHBondContact OE2-CD 3.41Å; E352-R355 IonicContact OE2-CZ 3.9Å; E352-R355 IonicContact OE2-NE 3.89Å; E352-R355 IonicContact OE2-NH1 3.65Å; E352-R355 PolarHBondContact OE2-NH1 3.25Å; E352-V356 VanDerWaalsContact O-CB 3.31Å; E352-V356 WeakPolarHBondContact O-CB 3.41Å; E352-V356 VanDerWaalsContact O-CG2 3.27Å; E352-V356 WeakPolarHBondContact O-CG2 3.29Å; E352-V356 PolarHBondContact O-N 2.76Å
353	E	76.1	Confident	74.7	Confident	81 Å²	81	62.9 Å²	62.9	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-43	169.9	-78.2	168	-162.4	0	0	111.6	F348 N349 T350 H357	F348-E353 HydrophobicContact CB-CB 3.79Å; F348-E353 HydrophobicContact CD1-CB 3.93Å; F348-E353 HydrophobicContact CG-CB 4.16Å; N349-E353 PolarHBondContact N-OE2 2.9Å; T350-E353 PolarHBondContact N-OE2 3.3Å; T350-E353 PolarHBondContact O-N 2.91Å; T350-E353 WeakPolarHBondContact OG1-CB 3.43Å; T350-E353 VanDerWaalsContact OG1-CG 3.27Å; T350-E353 WeakPolarHBondContact OG1-CG 3.43Å; T350-E353 PolarHBondContact OG1-N 3.22Å; T350-E353 VanDerWaalsContact OG1-N 3.08Å; E353-H357 WeakPolarHBondContact O-CB 3.44Å; E353-H357 PolarHBondContact O-N 3.43Å
354	L	79.3	Confident	74.7	Confident	29 Å²	29	64.4 Å²	64.4	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-48.1	174.1	173.3	60.6	0	0	0	111.4	C341 F348 T350 E352 V356 H357 V358	C341-L354 VanDerWaalsContact CA-CD1 3.5Å; C341-L354 HydrophobicContact CB-CD1 3.51Å; F348-L354 HydrophobicContact CB-CB 4.22Å; F348-L354 HydrophobicContact CD2-CB 4.1Å; F348-L354 HydrophobicContact CD2-CD1 3.86Å; F348-L354 HydrophobicContact CE2-CD1 4.18Å; F348-L354 HydrophobicContact CG-CB 4.33Å; T350-L354 PolarHBondContact O-N 2.64Å; T350-L354 VanDerWaalsContact O-N 3.12Å; E352-L354 VanDerWaalsContact C-N 3.29Å; E352-L354 PolarHBondContact O-N 2.96Å; L354-V356 VanDerWaalsContact C-N 3.35Å; L354-V356 PolarHBondContact O-N 2.87Å; L354-H357 CarbonylContact O-C 3.55Å; L354-H357 WeakPolarHBondContact O-CA 3.32Å; L354-H357 WeakPolarHBondContact O-CB 3.33Å; L354-H357 PolarHBondContact O-N 3.05Å; L354-V358 HydrophobicContact CD1-CG2 3.84Å; L354-V358 HydrophobicContact CG-CG2 4.25Å; L354-V358 WeakPolarHBondContact O-CG2 3.23Å; L354-V358 PolarHBondContact O-N 2.59Å
355	R	76.2	Confident	74.7	Confident	131 Å²	131	65.3 Å²	65.3	49%	0.494	35%	0.354	S	S	.	.	H	α-helix	trans	-54.7	-51.2	178.1	177.5	-175	-77.1	150.4	-14.3	110.9	K351 E352 H357 V358 V359 P366	K351-R355 WeakPolarHBondContact O-CB 3Å; K351-R355 PolarHBondContact O-N 3.08Å; E352-R355 PolarHBondContact O-N 2.8Å; E352-R355 WeakPolarHBondContact OE2-CD 3.41Å; E352-R355 IonicContact OE2-CZ 3.9Å; E352-R355 IonicContact OE2-NE 3.89Å; E352-R355 IonicContact OE2-NH1 3.65Å; E352-R355 PolarHBondContact OE2-NH1 3.25Å; R355-H357 VanDerWaalsContact C-N 3.25Å; R355-H357 PolarHBondContact O-N 3.5Å; R355-V358 PolarHBondContact O-N 2.89Å; R355-V358 VanDerWaalsContact O-N 3.15Å; R355-V359 WeakPolarHBondContact O-CG2 3.41Å; R355-V359 PolarHBondContact O-N 3.11Å; R355-P366 HydrophobicContact CG-CG 4.28Å
356	V	76.6	Confident	75	Confident	22 Å²	22	64.3 Å²	64.3	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-37.3	175	164.1	0	0	0	0	111.9	E352 L354 V359 M377 Y378	E352-V356 VanDerWaalsContact O-CB 3.31Å; E352-V356 WeakPolarHBondContact O-CB 3.41Å; E352-V356 VanDerWaalsContact O-CG2 3.27Å; E352-V356 WeakPolarHBondContact O-CG2 3.29Å; E352-V356 PolarHBondContact O-N 2.76Å; L354-V356 VanDerWaalsContact C-N 3.35Å; L354-V356 PolarHBondContact O-N 2.87Å; V356-V359 WeakPolarHBondContact O-CB 3.27Å; V356-M377 HydrophobicContact CG1-CE 4.07Å; V356-M377 HydrophobicContact CG1-CG 4.09Å; V356-M377 HydrophobicContact CG1-SD 3.76Å; V356-M377 HydrophobicContact CG2-CG 4.32Å; V356-M377 WeakPolarHBondContact O-CE 3.45Å; V356-Y378 HydrophobicContact CG1-CE1 4.45Å; V356-Y378 HydrophobicContact CG2-CD1 4.31Å; V356-Y378 HydrophobicContact CG2-CE1 3.67Å
357	H	78.6	Confident	75.4	Confident	22 Å²	22	63.9 Å²	63.9	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-73.4	-36.4	175.7	174.9	54.4	0	0	0	113.6	C344 F348 E353 L354 R355 V359 S360 H361	C344-H357 PolarHBondContact SG-NE2 2.88Å; F348-H357 HydrophobicContact CE1-CB 3.83Å; F348-H357 AromaticContact CE1-CG 3.98Å; F348-H357 HydrophobicContact CE2-CB 3.87Å; F348-H357 AromaticContact CE2-CD2 3.19Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.48Å; F348-H357 AromaticContact CE2-CG 3.6Å; F348-H357 HydrophobicContact CZ-CB 3.48Å; F348-H357 VanDerWaalsContact CZ-CB 3.48Å; F348-H357 AromaticContact CZ-CD2 3.23Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.45Å; F348-H357 AromaticContact CZ-CG 3.18Å; F348-H357 AromaticContact CZ-ND1 3.87Å; F348-H357 AromaticContact CZ-NE2 3.9Å; E353-H357 WeakPolarHBondContact O-CB 3.44Å; E353-H357 PolarHBondContact O-N 3.43Å; L354-H357 CarbonylContact O-C 3.55Å; L354-H357 WeakPolarHBondContact O-CA 3.32Å; L354-H357 WeakPolarHBondContact O-CB 3.33Å; L354-H357 PolarHBondContact O-N 3.05Å; R355-H357 VanDerWaalsContact C-N 3.25Å; R355-H357 PolarHBondContact O-N 3.5Å; H357-V359 PolarHBondContact O-N 3.12Å; H357-S360 PolarHBondContact CE1-OG 3.46Å; H357-S360 PolarHBondContact ND1-OG 2.96Å; H357-S360 VanDerWaalsContact ND1-OG 3.14Å; H357-S360 WeakPolarHBondContact O-CA 3.46Å; H357-S360 WeakPolarHBondContact O-CB 3.14Å; H357-S360 PolarHBondContact O-N 3.15Å; H357-S360 PolarHBondContact O-OG 3.42Å; H357-H361 AromaticContact CD2-NE2 3.79Å; H357-H361 AromaticContact CE1-CE1 3.75Å; H357-H361 AromaticContact CE1-NE2 3.32Å; H357-H361 PolarHBondContact CE1-NE2 3.36Å; H357-H361 VanDerWaalsContact CE1-NE2 3.32Å; H357-H361 AromaticContact NE2-CD2 3.94Å; H357-H361 AromaticContact NE2-CE1 3.71Å; H357-H361 AromaticContact NE2-NE2 2.95Å; H357-H361 PolarHBondContact NE2-NE2 2.85Å
358	V	76.3	Confident	75.8	Confident	44 Å²	44	67 Å²	67	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-33.5	178.9	169.3	0	0	0	0	111.6	L354 R355 S360 H361 T362	L354-V358 HydrophobicContact CD1-CG2 3.84Å; L354-V358 HydrophobicContact CG-CG2 4.25Å; L354-V358 WeakPolarHBondContact O-CG2 3.23Å; L354-V358 PolarHBondContact O-N 2.59Å; R355-V358 PolarHBondContact O-N 2.89Å; R355-V358 VanDerWaalsContact O-N 3.15Å; V358-S360 PolarHBondContact O-N 3.4Å; V358-S360 VanDerWaalsContact O-N 3.08Å; V358-H361 PolarHBondContact O-N 3.26Å; V358-T362 HydrophobicContact CG1-CG2 3.86Å; V358-T362 PolarHBondContact O-N 3.45Å; V358-T362 PolarHBondContact O-OG1 3.16Å
359	V	78.4	Confident	76.2	Confident	14 Å²	14	66 Å²	66	9%	0.085	35%	0.346	C	S	.	.	H	α-helix	trans	-50	-33.6	168.5	-176.3	0	0	0	0	112.3	R355 V356 H357 H361 G363 M365 P366 M377	R355-V359 WeakPolarHBondContact O-CG2 3.41Å; R355-V359 PolarHBondContact O-N 3.11Å; V356-V359 WeakPolarHBondContact O-CB 3.27Å; H357-V359 PolarHBondContact O-N 3.12Å; V359-H361 PolarHBondContact O-N 2.95Å; V359-G363 WeakPolarHBondContact O-CA 3.25Å; V359-G363 PolarHBondContact O-N 3.11Å; V359-M365 HydrophobicContact CG1-CG 3.62Å; V359-P366 HydrophobicContact CG2-CG 3.96Å; V359-M377 HydrophobicContact CB-CE 3.87Å; V359-M377 HydrophobicContact CG1-CE 3.84Å; V359-M377 HydrophobicContact CG2-CE 4.3Å
360	S	72.2	Confident	76.6	Confident	70 Å²	70	66.9 Å²	66.9	49%	0.49	36%	0.359	S	S	.	.	H	α-helix	trans	-76.1	-2.3	179.6	74.9	0	0	0	0	114.9	H357 V358	H357-S360 PolarHBondContact CE1-OG 3.46Å; H357-S360 PolarHBondContact ND1-OG 2.96Å; H357-S360 VanDerWaalsContact ND1-OG 3.14Å; H357-S360 WeakPolarHBondContact O-CA 3.46Å; H357-S360 WeakPolarHBondContact O-CB 3.14Å; H357-S360 PolarHBondContact O-N 3.15Å; H357-S360 PolarHBondContact O-OG 3.42Å; V358-S360 PolarHBondContact O-N 3.4Å; V358-S360 VanDerWaalsContact O-N 3.08Å
361	H	72.9	Confident	76.8	Confident	66 Å²	66	67.4 Å²	67.4	31%	0.306	36%	0.363	S	S	.	.	H	α-helix	trans	-113	-40.5	168.9	-50.7	-63.8	0	0	0	112.2	C341 T343 C344 H357 V358 V359	C341-H361 VanDerWaalsContact SG-CD2 3.53Å; C341-H361 PolarHBondContact SG-NE2 3.27Å; C341-H361 VanDerWaalsContact SG-NE2 3.35Å; T343-H361 HydrophobicContact CG2-CB 4.05Å; C344-H361 VanDerWaalsContact SG-CE1 3.59Å; C344-H361 PolarHBondContact SG-NE2 3.4Å; H357-H361 AromaticContact CD2-NE2 3.79Å; H357-H361 AromaticContact CE1-CE1 3.75Å; H357-H361 AromaticContact CE1-NE2 3.32Å; H357-H361 PolarHBondContact CE1-NE2 3.36Å; H357-H361 VanDerWaalsContact CE1-NE2 3.32Å; H357-H361 AromaticContact NE2-CD2 3.94Å; H357-H361 AromaticContact NE2-CE1 3.71Å; H357-H361 AromaticContact NE2-NE2 2.95Å; H357-H361 PolarHBondContact NE2-NE2 2.85Å; V358-H361 PolarHBondContact O-N 3.26Å; V359-H361 PolarHBondContact O-N 2.95Å
362	T	72	Confident	77.1	Confident	80 Å²	80	62.6 Å²	62.6	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-87.2	-19.7	-176.3	58.6	0	0	0	0	114.3	V358 E364	V358-T362 HydrophobicContact CG1-CG2 3.86Å; V358-T362 PolarHBondContact O-N 3.45Å; V358-T362 PolarHBondContact O-OG1 3.16Å; T362-E364 PolarHBondContact O-N 3.45Å
363	G	68.3	Low	77.3	Confident	55 Å²	55	66.9 Å²	66.9	57%	0.567	37%	0.371	S	S	*	.			trans	73.4	-27.1	-172.7	0	0	0	0	0	114.6	V359 M365	V359-G363 WeakPolarHBondContact O-CA 3.25Å; V359-G363 PolarHBondContact O-N 3.11Å; G363-M365 PolarHBondContact O-N 3.39Å
364	E	69.9	Low	77.4	Confident	124 Å²	124	68 Å²	68	58%	0.579	38%	0.376	S	S	*	.			trans	-63.1	117.4	179.6	-60.7	-156.4	111.5	0	0	112.6	T362 K368	T362-E364 PolarHBondContact O-N 3.45Å; E364-K368 IonicContact OE1-NZ 3Å
365	M	76.8	Confident	77.6	Confident	64 Å²	64	70 Å²	70	32%	0.315	39%	0.385	S	S	.	.			trans	-90.4	133.6	178.2	-91.2	-169.1	-77.3	0	0	111.5	V359 G363 H367 Q375 M377	V359-M365 HydrophobicContact CG1-CG 3.62Å; G363-M365 PolarHBondContact O-N 3.39Å; M365-H367 PolarHBondContact O-N 3.11Å; M365-H367 VanDerWaalsContact O-N 3.1Å; M365-Q375 HydrophobicContact CB-CB 3.64Å; M365-Q375 HydrophobicContact CE-CB 4.22Å; M365-Q375 WeakPolarHBondContact CE-O 3.5Å; M365-Q375 VanDerWaalsContact SD-O 3.42Å; M365-M377 HydrophobicContact CG-CB 4.46Å; M365-M377 HydrophobicContact SD-CB 4.08Å; M365-M377 PolarHBondContact SD-N 3.19Å; M365-M377 VanDerWaalsContact SD-N 3.36Å
366	P	77.3	Confident	77.9	Confident	54 Å²	54	65.2 Å²	65.2	35%	0.351	37%	0.368	S	S	.	.	S	Bend	trans	-70	-13.8	-165.6	-21.6	35	0	0	0	115.6	R355 V359	R355-P366 HydrophobicContact CG-CG 4.28Å; V359-P366 HydrophobicContact CG2-CG 3.96Å
367	H	81.2	Confident	78	Confident	46 Å²	46	66.8 Å²	66.8	21%	0.213	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	88.1	-177.4	-56	-68.6	0	0	0	110.3	M365 F376 K379 L382	M365-H367 PolarHBondContact O-N 3.11Å; M365-H367 VanDerWaalsContact O-N 3.1Å; H367-F376 HydrophobicContact CB-CB 4.33Å; H367-F376 WeakPolarHBondContact CB-O 3.28Å; H367-F376 PolarHBondContact N-O 3.17Å; H367-F376 VanDerWaalsContact N-O 3.08Å; H367-F376 PolarHBondContact O-N 3.15Å; H367-K379 PolarHBondContact CD2-N 2.9Å; H367-K379 PolarHBondContact NE2-N 3.21Å; H367-K379 VanDerWaalsContact NE2-N 3.18Å; H367-L382 HydrophobicContact CB-CB 4.06Å; H367-L382 HydrophobicContact CB-CD2 3.86Å
368	K	79.9	Confident	78.1	Confident	117 Å²	117	70.7 Å²	70.7	51%	0.509	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.2	175.9	-55.2	-174.6	179	175.7	0	110	E364 Q375 L382	E364-K368 IonicContact OE1-NZ 3Å; K368-Q375 HydrophobicContact CB-CG 4.35Å; K368-Q375 HydrophobicContact CG-CB 4.42Å; K368-Q375 HydrophobicContact CG-CG 3.94Å; K368-L382 WeakPolarHBondContact O-CD2 3.29Å
369	C	84.6	Confident	78.2	Confident	14 Å²	14	75.7 Å²	75.7	10%	0.095	41%	0.407	C	S	.	.			trans	-69.7	138.5	172.3	178	0	0	0	0	110.2	T371 C372 E374 F376 L382 H385	C369-T371 PolarHBondContact SG-OG1 3.16Å; C369-C372 HydrophobicContact CB-CB 4.21Å; C369-C372 VanDerWaalsContact CB-O 3.23Å; C369-C372 WeakPolarHBondContact CB-O 3.37Å; C369-C372 WeakPolarHBondContact CB-SG 3.25Å; C369-C372 VanDerWaalsContact O-O 3.1Å; C369-C372 VanDerWaalsContact SG-CA 3.58Å; C369-C372 WeakPolarHBondContact SG-CB 3.37Å; C369-C372 PolarHBondContact SG-N 3.39Å; C369-C372 CovalentContact SG-SG 2.05Å; C369-C372 PolarHBondContact SG-SG 3.09Å; C369-E374 WeakPolarHBondContact CB-O 3.33Å; C369-E374 PolarHBondContact N-O 3.17Å; C369-F376 HydrophobicContact CB-CE2 4.38Å; C369-L382 HydrophobicContact CB-CD1 4.11Å; C369-H385 PolarHBondContact SG-NE2 3.4Å
370	S	80.8	Confident	78.2	Confident	103 Å²	103	83.1 Å²	83.1	72%	0.72	44%	0.438	S	S	*	.	S	Bend	trans	-83.8	-16.7	178.4	50.5	0	0	0	0	113.3
371	T	79.3	Confident	78.7	Confident	72 Å²	72	83.1 Å²	83.1	44%	0.442	43%	0.432	S	S	.	.	S	Bend	trans	-118.8	6.4	-173.7	46.4	0	0	0	0	112.8	C369 H390	C369-T371 PolarHBondContact SG-OG1 3.16Å; T371-H390 PolarHBondContact O-CE1 2.78Å; T371-H390 VanDerWaalsContact O-CE1 3.31Å; T371-H390 PolarHBondContact OG1-CD2 3.24Å; T371-H390 PolarHBondContact OG1-CE1 3.47Å; T371-H390 VanDerWaalsContact OG1-CE1 3.23Å; T371-H390 PolarHBondContact OG1-ND1 3.08Å; T371-H390 PolarHBondContact OG1-NE2 3.47Å; T371-H390 VanDerWaalsContact OG1-NE2 3.09Å
372	C	86.3	Confident	79.2	Confident	34 Å²	34	81.1 Å²	81.1	23%	0.23	42%	0.424	C	S	.	.	S	Bend	trans	-167.7	166.8	-174	72.8	0	0	0	0	111.6	C369 E374 H385 H390	C369-C372 HydrophobicContact CB-CB 4.21Å; C369-C372 VanDerWaalsContact CB-O 3.23Å; C369-C372 WeakPolarHBondContact CB-O 3.37Å; C369-C372 WeakPolarHBondContact CB-SG 3.25Å; C369-C372 VanDerWaalsContact O-O 3.1Å; C369-C372 VanDerWaalsContact SG-CA 3.58Å; C369-C372 WeakPolarHBondContact SG-CB 3.37Å; C369-C372 PolarHBondContact SG-N 3.39Å; C369-C372 CovalentContact SG-SG 2.05Å; C369-C372 PolarHBondContact SG-SG 3.09Å; C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact O-N 2.67Å; C372-H385 PolarHBondContact SG-NE2 3.28Å; C372-H390 PolarHBondContact SG-NE2 2.8Å; C372-H390 VanDerWaalsContact SG-NE2 3.44Å
373	N	80.1	Confident	79.5	Confident	163 Å²	163	79.7 Å²	79.7	87%	0.872	42%	0.415	S	S	*	.	S	Bend	trans	-85.7	2.6	179.4	-69.6	-16.2	0	0	0	114.5
374	E	79.4	Confident	80	Confident	104 Å²	104	80.6 Å²	80.6	49%	0.486	41%	0.405	S	S	.	.			trans	-69.5	143.9	174	-64.4	-150.2	142.3	0	0	111.6	C369 C372 F376 H385	C369-E374 WeakPolarHBondContact CB-O 3.33Å; C369-E374 PolarHBondContact N-O 3.17Å; C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact O-N 2.67Å; E374-F376 HydrophobicContact CB-CE2 3.81Å; E374-F376 HydrophobicContact CB-CZ 3.69Å; E374-F376 WeakPolarHBondContact OE2-CZ 3.28Å; E374-H385 IonicContact OE2-CE1 2.69Å; E374-H385 PolarHBondContact OE2-CE1 3.01Å; E374-H385 IonicContact OE2-ND1 2.96Å; E374-H385 PolarHBondContact OE2-ND1 2.9Å
375	Q	82.3	Confident	80.6	Confident	72 Å²	72	75.8 Å²	75.8	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.3	-178.9	-48.4	-177.9	24	0	0	109.6	M365 K368	M365-Q375 HydrophobicContact CB-CB 3.64Å; M365-Q375 HydrophobicContact CE-CB 4.22Å; M365-Q375 WeakPolarHBondContact CE-O 3.5Å; M365-Q375 VanDerWaalsContact SD-O 3.42Å; K368-Q375 HydrophobicContact CB-CG 4.35Å; K368-Q375 HydrophobicContact CG-CB 4.42Å; K368-Q375 HydrophobicContact CG-CG 3.94Å
376	F	82.7	Confident	80.8	Confident	30 Å²	30	74 Å²	74	13%	0.132	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.9	-169.4	-59.5	-81.1	0	0	0	113	H367 C369 E374 Y378 N381 L382 H385	H367-F376 HydrophobicContact CB-CB 4.33Å; H367-F376 WeakPolarHBondContact CB-O 3.28Å; H367-F376 PolarHBondContact N-O 3.17Å; H367-F376 VanDerWaalsContact N-O 3.08Å; H367-F376 PolarHBondContact O-N 3.15Å; C369-F376 HydrophobicContact CB-CE2 4.38Å; E374-F376 HydrophobicContact CB-CE2 3.81Å; E374-F376 HydrophobicContact CB-CZ 3.69Å; E374-F376 WeakPolarHBondContact OE2-CZ 3.28Å; F376-Y378 VanDerWaalsContact C-N 3.28Å; F376-Y378 PolarHBondContact O-N 3.35Å; F376-N381 HydrophobicContact CB-CB 4.07Å; F376-N381 HydrophobicContact CD1-CB 3.89Å; F376-N381 HydrophobicContact CG-CB 4.27Å; F376-L382 HydrophobicContact CB-CB 4.05Å; F376-L382 HydrophobicContact CD2-CB 3.74Å; F376-L382 HydrophobicContact CD2-CD1 3.71Å; F376-L382 HydrophobicContact CD2-CG 4.31Å; F376-L382 HydrophobicContact CE2-CD1 3.93Å; F376-L382 HydrophobicContact CG-CB 4.06Å; F376-H385 HydrophobicContact CE1-CB 3.94Å; F376-H385 HydrophobicContact CE2-CB 3.76Å; F376-H385 AromaticContact CE2-CD2 3.86Å; F376-H385 AromaticContact CE2-CG 3.69Å; F376-H385 HydrophobicContact CZ-CB 3.38Å; F376-H385 AromaticContact CZ-CD2 3.91Å; F376-H385 AromaticContact CZ-CG 3.31Å; F376-H385 AromaticContact CZ-ND1 3.6Å
377	M	79.3	Confident	80.6	Confident	54 Å²	54	72.9 Å²	72.9	27%	0.266	37%	0.365	S	S	.	.	S	Bend	trans	-68.7	-22.1	178.7	178.3	167.3	-92.3	0	0	113.8	V356 V359 M365	V356-M377 HydrophobicContact CG1-CE 4.07Å; V356-M377 HydrophobicContact CG1-CG 4.09Å; V356-M377 HydrophobicContact CG1-SD 3.76Å; V356-M377 HydrophobicContact CG2-CG 4.32Å; V356-M377 WeakPolarHBondContact O-CE 3.45Å; V359-M377 HydrophobicContact CB-CE 3.87Å; V359-M377 HydrophobicContact CG1-CE 3.84Å; V359-M377 HydrophobicContact CG2-CE 4.3Å; M365-M377 HydrophobicContact CG-CB 4.46Å; M365-M377 HydrophobicContact SD-CB 4.08Å; M365-M377 PolarHBondContact SD-N 3.19Å; M365-M377 VanDerWaalsContact SD-N 3.36Å
378	Y	79.5	Confident	80.4	Confident	105 Å²	105	77.6 Å²	77.6	41%	0.412	39%	0.385	S	S	.	.	S	Bend	trans	-138.5	140.7	-178.5	-58	-76.5	0	0	0	111.1	V356 F376 K380 N381 L382	V356-Y378 HydrophobicContact CG1-CE1 4.45Å; V356-Y378 HydrophobicContact CG2-CD1 4.31Å; V356-Y378 HydrophobicContact CG2-CE1 3.67Å; F376-Y378 VanDerWaalsContact C-N 3.28Å; F376-Y378 PolarHBondContact O-N 3.35Å; Y378-K380 PolarHBondContact O-N 3Å; Y378-K380 VanDerWaalsContact O-N 3.14Å; Y378-N381 WeakPolarHBondContact O-CB 3.43Å; Y378-N381 PolarHBondContact O-N 3.46Å; Y378-L382 PolarHBondContact O-N 2.89Å
379	K	79.6	Confident	80.3	Confident	149 Å²	149	76.3 Å²	76.3	65%	0.648	39%	0.387	S	S	*	.	H	α-helix	trans	-50.9	-40.9	176.6	-173	172.5	-179	174.6	0	112.1	H367 N381 L382 T383	H367-K379 PolarHBondContact CD2-N 2.9Å; H367-K379 PolarHBondContact NE2-N 3.21Å; H367-K379 VanDerWaalsContact NE2-N 3.18Å; K379-N381 VanDerWaalsContact C-N 3.29Å; K379-N381 PolarHBondContact O-N 3.24Å; K379-L382 PolarHBondContact O-N 3.38Å; K379-T383 PolarHBondContact O-N 2.91Å; K379-T383 PolarHBondContact O-OG1 2.77Å
380	K	78.4	Confident	80	Confident	169 Å²	169	78.8 Å²	78.8	74%	0.735	40%	0.396	S	S	*	.	H	α-helix	trans	-56.5	-39	175.9	-67.9	179	-180	173.8	0	112.9	Y378 T383 M384	Y378-K380 PolarHBondContact O-N 3Å; Y378-K380 VanDerWaalsContact O-N 3.14Å; K380-T383 PolarHBondContact O-N 3.38Å; K380-M384 WeakPolarHBondContact O-CB 3.47Å; K380-M384 VanDerWaalsContact O-CG 3.26Å; K380-M384 WeakPolarHBondContact O-CG 3.21Å; K380-M384 PolarHBondContact O-N 3.23Å
381	N	82.8	Confident	79.6	Confident	71 Å²	71	76.9 Å²	76.9	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-72	-41.4	-179.9	-67	10.1	0	0	0	111	F376 Y378 K379 M384 H385	F376-N381 HydrophobicContact CB-CB 4.07Å; F376-N381 HydrophobicContact CD1-CB 3.89Å; F376-N381 HydrophobicContact CG-CB 4.27Å; Y378-N381 WeakPolarHBondContact O-CB 3.43Å; Y378-N381 PolarHBondContact O-N 3.46Å; K379-N381 VanDerWaalsContact C-N 3.29Å; K379-N381 PolarHBondContact O-N 3.24Å; N381-M384 PolarHBondContact O-N 2.51Å; N381-H385 WeakPolarHBondContact O-CB 3.3Å; N381-H385 PolarHBondContact O-N 3.5Å
382	L	82.6	Confident	79	Confident	24 Å²	24	77.3 Å²	77.3	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-59.9	-45.5	171.1	172.3	61.1	0	0	0	111.2	H367 K368 C369 F376 Y378 K379 M384 H385 L386	H367-L382 HydrophobicContact CB-CB 4.06Å; H367-L382 HydrophobicContact CB-CD2 3.86Å; K368-L382 WeakPolarHBondContact O-CD2 3.29Å; C369-L382 HydrophobicContact CB-CD1 4.11Å; F376-L382 HydrophobicContact CB-CB 4.05Å; F376-L382 HydrophobicContact CD2-CB 3.74Å; F376-L382 HydrophobicContact CD2-CD1 3.71Å; F376-L382 HydrophobicContact CD2-CG 4.31Å; F376-L382 HydrophobicContact CE2-CD1 3.93Å; F376-L382 HydrophobicContact CG-CB 4.06Å; Y378-L382 PolarHBondContact O-N 2.89Å; K379-L382 PolarHBondContact O-N 3.38Å; L382-M384 VanDerWaalsContact C-N 3.34Å; L382-M384 PolarHBondContact O-N 3.46Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 2.58Å; L382-H385 VanDerWaalsContact O-N 3.12Å; L382-L386 HydrophobicContact CD1-CD1 3.85Å; L382-L386 HydrophobicContact CD1-CD2 4.3Å; L382-L386 HydrophobicContact CD1-CG 3.8Å; L382-L386 HydrophobicContact CG-CD1 3.88Å; L382-L386 HydrophobicContact CG-CG 4.29Å; L382-L386 WeakPolarHBondContact O-CG 3.47Å; L382-L386 PolarHBondContact O-N 2.91Å
383	T	79.1	Confident	78.1	Confident	49 Å²	49	81 Å²	81	30%	0.301	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-44.6	175.2	-56.8	0	0	0	0	111.6	K379 K380 H385 M387	K379-T383 PolarHBondContact O-N 2.91Å; K379-T383 PolarHBondContact O-OG1 2.77Å; K380-T383 PolarHBondContact O-N 3.38Å; T383-H385 VanDerWaalsContact C-N 3.31Å; T383-H385 PolarHBondContact O-N 2.49Å; T383-M387 HydrophobicContact CG2-CE 3.4Å; T383-M387 VanDerWaalsContact CG2-CE 3.4Å; T383-M387 HydrophobicContact CG2-SD 3.64Å; T383-M387 WeakPolarHBondContact O-CB 3.47Å; T383-M387 VanDerWaalsContact O-CG 3.23Å; T383-M387 WeakPolarHBondContact O-CG 3.38Å; T383-M387 PolarHBondContact O-N 2.91Å; T383-M387 VanDerWaalsContact O-SD 3.41Å
384	M	78.6	Confident	78	Confident	74 Å²	74	77 Å²	77	37%	0.365	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-33.7	174.6	-72.9	-178.8	59.2	0	0	113.3	K380 N381 L382 K388 L406	K380-M384 WeakPolarHBondContact O-CB 3.47Å; K380-M384 VanDerWaalsContact O-CG 3.26Å; K380-M384 WeakPolarHBondContact O-CG 3.21Å; K380-M384 PolarHBondContact O-N 3.23Å; N381-M384 PolarHBondContact O-N 2.51Å; L382-M384 VanDerWaalsContact C-N 3.34Å; L382-M384 PolarHBondContact O-N 3.46Å; M384-K388 WeakPolarHBondContact O-CB 3.19Å; M384-K388 WeakPolarHBondContact O-CD 3.24Å; M384-K388 WeakPolarHBondContact O-CG 3.37Å; M384-K388 PolarHBondContact O-N 3.39Å; M384-L406 HydrophobicContact CB-CD2 4.19Å; M384-L406 HydrophobicContact CE-CD2 3.97Å; M384-L406 HydrophobicContact CG-CD2 3.68Å; M384-L406 HydrophobicContact CG-CG 4.13Å; M384-L406 HydrophobicContact SD-CD2 4.42Å
385	H	82.6	Confident	77.7	Confident	24 Å²	24	75.6 Å²	75.6	11%	0.111	39%	0.388	C	S	.	.	H	α-helix	trans	-69.2	-56.2	176.6	173	76.6	0	0	0	111.9	C369 C372 E374 F376 N381 L382 T383 M387 K388 V389 H390	C369-H385 PolarHBondContact SG-NE2 3.4Å; C372-H385 PolarHBondContact SG-NE2 3.28Å; E374-H385 IonicContact OE2-CE1 2.69Å; E374-H385 PolarHBondContact OE2-CE1 3.01Å; E374-H385 IonicContact OE2-ND1 2.96Å; E374-H385 PolarHBondContact OE2-ND1 2.9Å; F376-H385 HydrophobicContact CE1-CB 3.94Å; F376-H385 HydrophobicContact CE2-CB 3.76Å; F376-H385 AromaticContact CE2-CD2 3.86Å; F376-H385 AromaticContact CE2-CG 3.69Å; F376-H385 HydrophobicContact CZ-CB 3.38Å; F376-H385 AromaticContact CZ-CD2 3.91Å; F376-H385 AromaticContact CZ-CG 3.31Å; F376-H385 AromaticContact CZ-ND1 3.6Å; N381-H385 WeakPolarHBondContact O-CB 3.3Å; N381-H385 PolarHBondContact O-N 3.5Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 2.58Å; L382-H385 VanDerWaalsContact O-N 3.12Å; T383-H385 VanDerWaalsContact C-N 3.31Å; T383-H385 PolarHBondContact O-N 2.49Å; H385-M387 PolarHBondContact O-N 2.9Å; H385-M387 VanDerWaalsContact O-N 3.1Å; H385-K388 PolarHBondContact O-N 3.07Å; H385-V389 VanDerWaalsContact CE1-CG1 3.45Å; H385-V389 WeakPolarHBondContact CE1-CG1 3.42Å; H385-V389 WeakPolarHBondContact CE1-CG2 3.23Å; H385-V389 WeakPolarHBondContact ND1-CG2 3.3Å; H385-V389 PolarHBondContact O-N 3.09Å; H385-H390 AromaticContact CD2-CD2 3.84Å; H385-H390 AromaticContact NE2-CD2 2.92Å; H385-H390 PolarHBondContact NE2-CD2 3.26Å; H385-H390 AromaticContact NE2-CE1 3.64Å; H385-H390 AromaticContact NE2-NE2 2.39Å; H385-H390 PolarHBondContact NE2-NE2 3.4Å
386	L	80.2	Confident	77.6	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-52.6	-36.5	179.2	-70.3	172.3	0	0	0	112	L382 H390 G391 H392	L382-L386 HydrophobicContact CD1-CD1 3.85Å; L382-L386 HydrophobicContact CD1-CD2 4.3Å; L382-L386 HydrophobicContact CD1-CG 3.8Å; L382-L386 HydrophobicContact CG-CD1 3.88Å; L382-L386 HydrophobicContact CG-CG 4.29Å; L382-L386 WeakPolarHBondContact O-CG 3.47Å; L382-L386 PolarHBondContact O-N 2.91Å; L386-H390 CarbonylContact O-C 3.55Å; L386-H390 VanDerWaalsContact O-C 3.26Å; L386-H390 WeakPolarHBondContact O-CA 3.37Å; L386-H390 WeakPolarHBondContact O-CB 3.25Å; L386-H390 PolarHBondContact O-N 3.15Å; L386-G391 PolarHBondContact O-N 3.06Å; L386-G391 VanDerWaalsContact O-N 3.16Å; L386-H392 HydrophobicContact CB-CB 4.39Å; L386-H392 PolarHBondContact O-CD2 2.84Å; L386-H392 PolarHBondContact O-N 3.3Å; L386-H392 VanDerWaalsContact O-N 3.13Å
387	M	74.3	Confident	77.5	Confident	30 Å²	30	76.3 Å²	76.3	15%	0.148	40%	0.402	C	S	.	.	H	α-helix	trans	-85.4	-7.9	179.8	-66	168.4	-177.3	0	0	115.2	T383 H385 H392 K394 P395 L406	T383-M387 HydrophobicContact CG2-CE 3.4Å; T383-M387 VanDerWaalsContact CG2-CE 3.4Å; T383-M387 HydrophobicContact CG2-SD 3.64Å; T383-M387 WeakPolarHBondContact O-CB 3.47Å; T383-M387 VanDerWaalsContact O-CG 3.23Å; T383-M387 WeakPolarHBondContact O-CG 3.38Å; T383-M387 PolarHBondContact O-N 2.91Å; T383-M387 VanDerWaalsContact O-SD 3.41Å; H385-M387 PolarHBondContact O-N 2.9Å; H385-M387 VanDerWaalsContact O-N 3.1Å; M387-H392 HydrophobicContact CG-CB 3.99Å; M387-H392 WeakPolarHBondContact CG-O 3.13Å; M387-K394 HydrophobicContact CB-CG 4.16Å; M387-K394 HydrophobicContact CG-CG 4.44Å; M387-K394 HydrophobicContact SD-CB 4.38Å; M387-K394 HydrophobicContact SD-CG 4.47Å; M387-P395 HydrophobicContact CE-CG 4.35Å; M387-P395 VanDerWaalsContact SD-CD 3.57Å; M387-L406 HydrophobicContact CB-CD1 3.66Å; M387-L406 HydrophobicContact CG-CD1 4.31Å; M387-L406 HydrophobicContact SD-CD1 3.73Å
388	K	77.4	Confident	77.7	Confident	145 Å²	145	74.2 Å²	74.2	63%	0.63	39%	0.393	S	S	*	.	H	α-helix	trans	-109.7	-34.9	177.3	-78.1	-179.9	178.1	-175.8	0	113.6	M384 H385	M384-K388 WeakPolarHBondContact O-CB 3.19Å; M384-K388 WeakPolarHBondContact O-CD 3.24Å; M384-K388 WeakPolarHBondContact O-CG 3.37Å; M384-K388 PolarHBondContact O-N 3.39Å; H385-K388 PolarHBondContact O-N 3.07Å
389	V	77	Confident	77.8	Confident	90 Å²	90	74.6 Å²	74.6	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-102.5	-40.6	-174.6	179.7	0	0	0	0	111.1	H385	H385-V389 VanDerWaalsContact CE1-CG1 3.45Å; H385-V389 WeakPolarHBondContact CE1-CG1 3.42Å; H385-V389 WeakPolarHBondContact CE1-CG2 3.23Å; H385-V389 WeakPolarHBondContact ND1-CG2 3.3Å; H385-V389 PolarHBondContact O-N 3.09Å
390	H	78.5	Confident	77.7	Confident	65 Å²	65	73.8 Å²	73.8	30%	0.301	41%	0.407	S	S	.	.	S	Bend	trans	-107	10.6	-177.8	-56.3	-77.6	0	0	0	113.6	T371 C372 H385 L386 H392	T371-H390 PolarHBondContact O-CE1 2.78Å; T371-H390 VanDerWaalsContact O-CE1 3.31Å; T371-H390 PolarHBondContact OG1-CD2 3.24Å; T371-H390 PolarHBondContact OG1-CE1 3.47Å; T371-H390 VanDerWaalsContact OG1-CE1 3.23Å; T371-H390 PolarHBondContact OG1-ND1 3.08Å; T371-H390 PolarHBondContact OG1-NE2 3.47Å; T371-H390 VanDerWaalsContact OG1-NE2 3.09Å; C372-H390 PolarHBondContact SG-NE2 2.8Å; C372-H390 VanDerWaalsContact SG-NE2 3.44Å; H385-H390 AromaticContact CD2-CD2 3.84Å; H385-H390 AromaticContact NE2-CD2 2.92Å; H385-H390 PolarHBondContact NE2-CD2 3.26Å; H385-H390 AromaticContact NE2-CE1 3.64Å; H385-H390 AromaticContact NE2-NE2 2.39Å; H385-H390 PolarHBondContact NE2-NE2 3.4Å; L386-H390 CarbonylContact O-C 3.55Å; L386-H390 VanDerWaalsContact O-C 3.26Å; L386-H390 WeakPolarHBondContact O-CA 3.37Å; L386-H390 WeakPolarHBondContact O-CB 3.25Å; L386-H390 PolarHBondContact O-N 3.15Å; H390-H392 PolarHBondContact O-N 3.22Å; H390-H392 VanDerWaalsContact O-N 3.09Å
391	G	72.1	Confident	78	Confident	63 Å²	63	67.1 Å²	67.1	65%	0.649	38%	0.381	S	S	*	.			trans	66.8	9.6	171.1	0	0	0	0	0	116.8	L386	L386-G391 PolarHBondContact O-N 3.06Å; L386-G391 VanDerWaalsContact O-N 3.16Å
392	H	66.8	Low	77.8	Confident	82 Å²	82	70.3 Å²	70.3	38%	0.38	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-52.1	143.3	-178.4	-83.1	-92.8	0	0	0	112.3	L386 M387 H390 K394	L386-H392 HydrophobicContact CB-CB 4.39Å; L386-H392 PolarHBondContact O-CD2 2.84Å; L386-H392 PolarHBondContact O-N 3.3Å; L386-H392 VanDerWaalsContact O-N 3.13Å; M387-H392 HydrophobicContact CG-CB 3.99Å; M387-H392 WeakPolarHBondContact CG-O 3.13Å; H390-H392 PolarHBondContact O-N 3.22Å; H390-H392 VanDerWaalsContact O-N 3.09Å; H392-K394 PolarHBondContact O-N 3.25Å
393	P	68.2	Low	77.5	Confident	110 Å²	110	74.8 Å²	74.8	71%	0.714	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-61.1	123.8	-177.5	24.6	-34.1	0	0	0	110.9
394	K	76.1	Confident	77.6	Confident	81 Å²	81	75 Å²	75	35%	0.352	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-72.8	139.7	-178	-50.3	164.2	-167.5	149.6	0	110	M387 H392 H396 T404 F405 L406	M387-K394 HydrophobicContact CB-CG 4.16Å; M387-K394 HydrophobicContact CG-CG 4.44Å; M387-K394 HydrophobicContact SD-CB 4.38Å; M387-K394 HydrophobicContact SD-CG 4.47Å; H392-K394 PolarHBondContact O-N 3.25Å; K394-H396 PolarHBondContact O-N 3.15Å; K394-T404 VanDerWaalsContact CD-O 3.27Å; K394-T404 WeakPolarHBondContact CD-O 3.43Å; K394-T404 PolarHBondContact NZ-O 3.24Å; K394-F405 WeakPolarHBondContact CB-O 3.44Å; K394-L406 HydrophobicContact CD-CD1 4.46Å; K394-L406 HydrophobicContact CG-CD1 4.13Å
395	P	74.9	Confident	77.7	Confident	73 Å²	73	73.2 Å²	73.2	47%	0.474	42%	0.416	S	S	.	.	S	Bend	trans	-78.4	0.6	-159.9	32.8	-38.1	0	0	0	114.6	M387	M387-P395 HydrophobicContact CE-CG 4.35Å; M387-P395 VanDerWaalsContact SD-CD 3.57Å
396	H	78.8	Confident	77.2	Confident	54 Å²	54	73.5 Å²	73.5	25%	0.25	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	82.5	-177.6	-57.2	-49.7	0	0	0	110.2	K394 F405 R408 L411	K394-H396 PolarHBondContact O-N 3.15Å; H396-F405 HydrophobicContact CB-CB 4.37Å; H396-F405 PolarHBondContact N-O 2.92Å; H396-F405 PolarHBondContact O-N 3.03Å; H396-R408 PolarHBondContact CD2-N 2.97Å; H396-R408 PolarHBondContact NE2-N 3.38Å; H396-L411 HydrophobicContact CB-CB 4.14Å; H396-L411 HydrophobicContact CB-CD2 3.95Å
397	A	81.8	Confident	77	Confident	63 Å²	63	74.5 Å²	74.5	52%	0.521	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	147.7	168.2	0	0	0	0	0	111.1	T404 L411	A397-T404 HydrophobicContact CB-CG2 4.06Å; A397-L411 WeakPolarHBondContact O-CD2 3.48Å
398	C	83.2	Confident	77.2	Confident	10 Å²	10	79.9 Å²	79.9	7%	0.068	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.1	168	-176.4	0	0	0	0	110	Q400 K403 F405 L411 H414	C398-Q400 PolarHBondContact O-N 3.06Å; C398-K403 PolarHBondContact N-O 3.03Å; C398-F405 HydrophobicContact CB-CE2 4.25Å; C398-L411 HydrophobicContact CB-CD1 3.76Å; C398-H414 PolarHBondContact SG-NE2 2.82Å; C398-H414 VanDerWaalsContact SG-NE2 3.37Å
399	P	81.3	Confident	77.3	Confident	113 Å²	113	77.5 Å²	77.5	73%	0.734	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12	178.3	28.6	-35.3	0	0	0	113.5
400	Q	78	Confident	77.4	Confident	133 Å²	133	77 Å²	77	62%	0.621	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	0.2	-176.8	-65.1	-167.1	4	0	0	114.8	C398 H419	C398-Q400 PolarHBondContact O-N 3.06Å; Q400-H419 VanDerWaalsContact CB-CE1 3.42Å; Q400-H419 WeakPolarHBondContact CB-CE1 3.47Å; Q400-H419 VanDerWaalsContact CB-ND1 3.27Å; Q400-H419 WeakPolarHBondContact CB-ND1 3.49Å; Q400-H419 PolarHBondContact O-CE1 2.84Å; Q400-H419 PolarHBondContact OE1-ND1 2.79Å
401	C	83.5	Confident	77.5	Confident	29 Å²	29	74.2 Å²	74.2	20%	0.196	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.5	169.4	83.2	0	0	0	0	111.4	K403 H414	C401-K403 PolarHBondContact O-N 2.77Å; C401-H414 PolarHBondContact SG-NE2 3.26Å
402	P	80	Confident	77.8	Confident	137 Å²	137	78.6 Å²	78.6	89%	0.89	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	31	-174.2	31.5	-38.2	0	0	0	114.7
403	K	76.3	Confident	78.3	Confident	118 Å²	118	77 Å²	77	51%	0.513	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.5	-179.2	-66.8	177.1	-177.6	165.7	0	110.8	C398 C401 F405	C398-K403 PolarHBondContact N-O 3.03Å; C401-K403 PolarHBondContact O-N 2.77Å; K403-F405 HydrophobicContact CB-CE2 3.58Å; K403-F405 HydrophobicContact CB-CZ 3.65Å; K403-F405 VanDerWaalsContact O-CE2 3.3Å; K403-F405 WeakPolarHBondContact O-CE2 3.46Å
404	T	79.9	Confident	78.9	Confident	55 Å²	55	72.7 Å²	72.7	34%	0.337	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.4	176.9	61.7	0	0	0	0	110.6	K394 A397	K394-T404 VanDerWaalsContact CD-O 3.27Å; K394-T404 WeakPolarHBondContact CD-O 3.43Å; K394-T404 PolarHBondContact NZ-O 3.24Å; A397-T404 HydrophobicContact CB-CG2 4.06Å
405	F	80.8	Confident	79	Confident	36 Å²	36	70.4 Å²	70.4	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152	-170	-63.8	-83.1	0	0	0	111.8	K394 H396 C398 K403 E410 L411 H414	K394-F405 WeakPolarHBondContact CB-O 3.44Å; H396-F405 HydrophobicContact CB-CB 4.37Å; H396-F405 PolarHBondContact N-O 2.92Å; H396-F405 PolarHBondContact O-N 3.03Å; C398-F405 HydrophobicContact CB-CE2 4.25Å; K403-F405 HydrophobicContact CB-CE2 3.58Å; K403-F405 HydrophobicContact CB-CZ 3.65Å; K403-F405 VanDerWaalsContact O-CE2 3.3Å; K403-F405 WeakPolarHBondContact O-CE2 3.46Å; F405-E410 HydrophobicContact CB-CB 3.95Å; F405-E410 HydrophobicContact CD1-CB 3.95Å; F405-E410 HydrophobicContact CG-CB 4.29Å; F405-L411 HydrophobicContact CB-CB 4.17Å; F405-L411 HydrophobicContact CD2-CB 4.24Å; F405-L411 HydrophobicContact CD2-CD1 3.86Å; F405-L411 HydrophobicContact CE2-CD1 4.28Å; F405-L411 HydrophobicContact CG-CB 4.35Å; F405-H414 HydrophobicContact CD1-CB 4.46Å; F405-H414 HydrophobicContact CE1-CB 3.77Å; F405-H414 AromaticContact CE1-CG 3.97Å; F405-H414 HydrophobicContact CE2-CB 3.96Å; F405-H414 AromaticContact CE2-CD2 3.1Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.29Å; F405-H414 AromaticContact CE2-CG 3.57Å; F405-H414 AromaticContact CE2-NE2 3.81Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 VanDerWaalsContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.24Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.37Å; F405-H414 AromaticContact CZ-CG 3.19Å; F405-H414 AromaticContact CZ-ND1 3.85Å; F405-H414 AromaticContact CZ-NE2 3.88Å
406	L	72.3	Confident	79	Confident	29 Å²	29	67.3 Å²	67.3	15%	0.152	36%	0.355	C	S	.	.	S	Bend	trans	-83.3	-25.2	-171	-149.8	65.3	0	0	0	111.9	M384 M387 K394 E410	M384-L406 HydrophobicContact CB-CD2 4.19Å; M384-L406 HydrophobicContact CE-CD2 3.97Å; M384-L406 HydrophobicContact CG-CD2 3.68Å; M384-L406 HydrophobicContact CG-CG 4.13Å; M384-L406 HydrophobicContact SD-CD2 4.42Å; M387-L406 HydrophobicContact CB-CD1 3.66Å; M387-L406 HydrophobicContact CG-CD1 4.31Å; M387-L406 HydrophobicContact SD-CD1 3.73Å; K394-L406 HydrophobicContact CD-CD1 4.46Å; K394-L406 HydrophobicContact CG-CD1 4.13Å; L406-E410 VanDerWaalsContact CB-OE2 3.25Å; L406-E410 WeakPolarHBondContact CB-OE2 3.39Å; L406-E410 PolarHBondContact N-OE2 2.95Å
407	T	76.8	Confident	78.8	Confident	49 Å²	49	66 Å²	66	30%	0.301	35%	0.354	S	S	.	.	S	Bend	trans	-136.5	148.4	177.6	63.5	0	0	0	0	111.9	T409 E410 L411	T407-T409 WeakPolarHBondContact CB-OG1 3.36Å; T407-T409 PolarHBondContact O-N 3.1Å; T407-T409 VanDerWaalsContact O-N 3.15Å; T407-T409 PolarHBondContact OG1-OG1 2.94Å; T407-E410 WeakPolarHBondContact CB-OE1 3.5Å; T407-E410 WeakPolarHBondContact CG2-OE1 3.21Å; T407-E410 PolarHBondContact N-OE1 2.85Å; T407-E410 WeakPolarHBondContact O-CB 3.37Å; T407-E410 PolarHBondContact O-N 3.08Å; T407-E410 VanDerWaalsContact OG1-CG 3.28Å; T407-E410 WeakPolarHBondContact OG1-CG 3.31Å; T407-E410 PolarHBondContact OG1-N 3.49Å; T407-E410 PolarHBondContact OG1-OE1 2.79Å; T407-L411 PolarHBondContact O-N 3.08Å; T407-L411 VanDerWaalsContact O-N 3.09Å
408	R	78.7	Confident	78.3	Confident	143 Å²	143	70.3 Å²	70.3	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-21.3	176.3	-171.7	158.5	170.7	71	-10.5	112.6	H396 R412	H396-R408 PolarHBondContact CD2-N 2.97Å; H396-R408 PolarHBondContact NE2-N 3.38Å; R408-R412 WeakPolarHBondContact O-CB 3.39Å; R408-R412 WeakPolarHBondContact O-CG 3.34Å; R408-R412 PolarHBondContact O-N 3.17Å
409	T	78.3	Confident	78	Confident	95 Å²	95	72.9 Å²	72.9	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-69.9	-42.2	169	35.6	0	0	0	0	113.4	T407 V413	T407-T409 WeakPolarHBondContact CB-OG1 3.36Å; T407-T409 PolarHBondContact O-N 3.1Å; T407-T409 VanDerWaalsContact O-N 3.15Å; T407-T409 PolarHBondContact OG1-OG1 2.94Å; T409-V413 WeakPolarHBondContact O-CB 3.47Å; T409-V413 WeakPolarHBondContact O-CG2 3.43Å; T409-V413 PolarHBondContact O-N 3.28Å
410	E	78.4	Confident	77.5	Confident	79 Å²	79	74.4 Å²	74.4	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-43	172.5	-75.7	152.6	-127.3	0	0	111.2	F405 L406 T407 V413 H414	F405-E410 HydrophobicContact CB-CB 3.95Å; F405-E410 HydrophobicContact CD1-CB 3.95Å; F405-E410 HydrophobicContact CG-CB 4.29Å; L406-E410 VanDerWaalsContact CB-OE2 3.25Å; L406-E410 WeakPolarHBondContact CB-OE2 3.39Å; L406-E410 PolarHBondContact N-OE2 2.95Å; T407-E410 WeakPolarHBondContact CB-OE1 3.5Å; T407-E410 WeakPolarHBondContact CG2-OE1 3.21Å; T407-E410 PolarHBondContact N-OE1 2.85Å; T407-E410 WeakPolarHBondContact O-CB 3.37Å; T407-E410 PolarHBondContact O-N 3.08Å; T407-E410 VanDerWaalsContact OG1-CG 3.28Å; T407-E410 WeakPolarHBondContact OG1-CG 3.31Å; T407-E410 PolarHBondContact OG1-N 3.49Å; T407-E410 PolarHBondContact OG1-OE1 2.79Å; E410-V413 PolarHBondContact O-N 3.38Å; E410-H414 WeakPolarHBondContact O-CB 3.38Å; E410-H414 PolarHBondContact O-N 2.97Å
411	L	81.8	Confident	77	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-51.5	176.3	173.6	59.4	0	0	0	111.3	H396 A397 C398 F405 T407 V413 H414 E415	H396-L411 HydrophobicContact CB-CB 4.14Å; H396-L411 HydrophobicContact CB-CD2 3.95Å; A397-L411 WeakPolarHBondContact O-CD2 3.48Å; C398-L411 HydrophobicContact CB-CD1 3.76Å; F405-L411 HydrophobicContact CB-CB 4.17Å; F405-L411 HydrophobicContact CD2-CB 4.24Å; F405-L411 HydrophobicContact CD2-CD1 3.86Å; F405-L411 HydrophobicContact CE2-CD1 4.28Å; F405-L411 HydrophobicContact CG-CB 4.35Å; T407-L411 PolarHBondContact O-N 3.08Å; T407-L411 VanDerWaalsContact O-N 3.09Å; L411-V413 VanDerWaalsContact C-N 3.31Å; L411-V413 PolarHBondContact O-N 3.5Å; L411-H414 WeakPolarHBondContact O-CA 3.32Å; L411-H414 WeakPolarHBondContact O-CB 3.34Å; L411-H414 PolarHBondContact O-N 3.39Å; L411-E415 HydrophobicContact CD1-CG 3.94Å; L411-E415 WeakPolarHBondContact CD1-OE1 3.44Å; L411-E415 HydrophobicContact CG-CG 4.38Å; L411-E415 WeakPolarHBondContact CG-OE1 3.08Å; L411-E415 WeakPolarHBondContact O-CG 3.25Å; L411-E415 PolarHBondContact O-N 3.13Å
412	R	78.4	Confident	76.2	Confident	154 Å²	154	74.4 Å²	74.4	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-56.4	-43.1	176.2	-78.7	177	173.9	-179.2	-2.6	112.6	R408 H414 A416	R408-R412 WeakPolarHBondContact O-CB 3.39Å; R408-R412 WeakPolarHBondContact O-CG 3.34Å; R408-R412 PolarHBondContact O-N 3.17Å; R412-H414 VanDerWaalsContact C-N 3.33Å; R412-A416 VanDerWaalsContact O-CB 3.29Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 3.03Å
413	V	77.8	Confident	75.7	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.297	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-37	176.7	165	0	0	0	0	111.6	T409 E410 L411 A417 F425 S435	T409-V413 WeakPolarHBondContact O-CB 3.47Å; T409-V413 WeakPolarHBondContact O-CG2 3.43Å; T409-V413 PolarHBondContact O-N 3.28Å; E410-V413 PolarHBondContact O-N 3.38Å; L411-V413 VanDerWaalsContact C-N 3.31Å; L411-V413 PolarHBondContact O-N 3.5Å; V413-A417 WeakPolarHBondContact O-CB 3.36Å; V413-A417 PolarHBondContact O-N 3.02Å; V413-F425 HydrophobicContact CG2-CE2 4.41Å; V413-S435 WeakPolarHBondContact CG1-O 3.08Å
414	H	80.1	Confident	75.5	Confident	19 Å²	19	70 Å²	70	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-68.2	-50.3	174.9	162.8	54	0	0	0	112.3	C398 C401 F405 E410 L411 R412 A416 A417 K418 H419	C398-H414 PolarHBondContact SG-NE2 2.82Å; C398-H414 VanDerWaalsContact SG-NE2 3.37Å; C401-H414 PolarHBondContact SG-NE2 3.26Å; F405-H414 HydrophobicContact CD1-CB 4.46Å; F405-H414 HydrophobicContact CE1-CB 3.77Å; F405-H414 AromaticContact CE1-CG 3.97Å; F405-H414 HydrophobicContact CE2-CB 3.96Å; F405-H414 AromaticContact CE2-CD2 3.1Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.29Å; F405-H414 AromaticContact CE2-CG 3.57Å; F405-H414 AromaticContact CE2-NE2 3.81Å; F405-H414 HydrophobicContact CZ-CB 3.5Å; F405-H414 VanDerWaalsContact CZ-CB 3.5Å; F405-H414 AromaticContact CZ-CD2 3.24Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.37Å; F405-H414 AromaticContact CZ-CG 3.19Å; F405-H414 AromaticContact CZ-ND1 3.85Å; F405-H414 AromaticContact CZ-NE2 3.88Å; E410-H414 WeakPolarHBondContact O-CB 3.38Å; E410-H414 PolarHBondContact O-N 2.97Å; L411-H414 WeakPolarHBondContact O-CA 3.32Å; L411-H414 WeakPolarHBondContact O-CB 3.34Å; L411-H414 PolarHBondContact O-N 3.39Å; R412-H414 VanDerWaalsContact C-N 3.33Å; H414-A416 VanDerWaalsContact C-N 3.34Å; H414-A416 PolarHBondContact O-N 3.37Å; H414-A417 PolarHBondContact O-N 2.68Å; H414-K418 VanDerWaalsContact O-CB 3.3Å; H414-K418 WeakPolarHBondContact O-CB 3.49Å; H414-K418 PolarHBondContact O-N 3.4Å; H414-H419 AromaticContact CE1-CD2 3.77Å; H414-H419 AromaticContact CE1-NE2 3.52Å; H414-H419 AromaticContact NE2-CD2 3.79Å; H414-H419 AromaticContact NE2-NE2 3.52Å
415	E	77.8	Confident	75.3	Confident	34 Å²	34	69.7 Å²	69.7	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-55.1	-49.5	176.6	-72.6	172.8	-170.7	0	0	111	L411 H419 R420	L411-E415 HydrophobicContact CD1-CG 3.94Å; L411-E415 WeakPolarHBondContact CD1-OE1 3.44Å; L411-E415 HydrophobicContact CG-CG 4.38Å; L411-E415 WeakPolarHBondContact CG-OE1 3.08Å; L411-E415 WeakPolarHBondContact O-CG 3.25Å; L411-E415 PolarHBondContact O-N 3.13Å; E415-H419 WeakPolarHBondContact O-CA 3.39Å; E415-H419 VanDerWaalsContact O-CB 3.31Å; E415-H419 WeakPolarHBondContact O-CB 3.4Å; E415-H419 PolarHBondContact O-N 3.31Å; E415-R420 PolarHBondContact O-N 2.97Å; E415-R420 IonicContact OE2-NH2 3.62Å; E415-R420 PolarHBondContact OE2-NH2 3.06Å
416	A	76.2	Confident	75.2	Confident	8 Å²	8	70.6 Å²	70.6	7%	0.066	35%	0.35	C	S	.	.	I	π-helix	trans	-58.2	-56.4	175.8	0	0	0	0	0	110.8	R412 H414 K418 R420 G421 E422 P424	R412-A416 VanDerWaalsContact O-CB 3.29Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 3.03Å; H414-A416 VanDerWaalsContact C-N 3.34Å; H414-A416 PolarHBondContact O-N 3.37Å; A416-K418 VanDerWaalsContact C-N 3.31Å; A416-K418 PolarHBondContact O-N 3.49Å; A416-R420 CarbonylContact O-C 3.43Å; A416-G421 CarbonylContact O-C 3.55Å; A416-G421 WeakPolarHBondContact O-CA 3.43Å; A416-G421 PolarHBondContact O-N 2.99Å; A416-E422 CarbonylContact C-O 3.26Å; A416-E422 WeakPolarHBondContact CA-O 3.24Å; A416-E422 HydrophobicContact CB-CB 4.21Å; A416-E422 WeakPolarHBondContact CB-O 3.46Å; A416-E422 PolarHBondContact O-N 3Å; A416-E422 VanDerWaalsContact O-N 3.14Å; A416-E422 VanDerWaalsContact O-O 3.06Å; A416-P424 HydrophobicContact CB-CG 3.8Å
417	A	74.4	Confident	75.8	Confident	26 Å²	26	69.3 Å²	69.3	22%	0.215	34%	0.344	C	S	.	.	I	π-helix	trans	-78.2	-3.8	-172.2	0	0	0	0	0	115.9	V413 H414 E422	V413-A417 WeakPolarHBondContact O-CB 3.36Å; V413-A417 PolarHBondContact O-N 3.02Å; H414-A417 PolarHBondContact O-N 2.68Å; A417-E422 PolarHBondContact N-O 3.02Å
418	K	69.6	Low	76	Confident	154 Å²	154	76.3 Å²	76.3	67%	0.67	37%	0.373	S	S	*	.	I	π-helix	trans	-132.5	-23.9	-179.4	-69.7	-63.5	-178.8	-175.2	0	116.3	H414 A416	H414-K418 VanDerWaalsContact O-CB 3.3Å; H414-K418 WeakPolarHBondContact O-CB 3.49Å; H414-K418 PolarHBondContact O-N 3.4Å; A416-K418 VanDerWaalsContact C-N 3.31Å; A416-K418 PolarHBondContact O-N 3.49Å
419	H	77.4	Confident	76.1	Confident	64 Å²	64	75 Å²	75	30%	0.296	37%	0.373	S	S	.	.	I	π-helix	trans	-113.7	-44.5	-176.8	-67.3	-84.4	0	0	0	111.8	Q400 H414 E415	Q400-H419 VanDerWaalsContact CB-CE1 3.42Å; Q400-H419 WeakPolarHBondContact CB-CE1 3.47Å; Q400-H419 VanDerWaalsContact CB-ND1 3.27Å; Q400-H419 WeakPolarHBondContact CB-ND1 3.49Å; Q400-H419 PolarHBondContact O-CE1 2.84Å; Q400-H419 PolarHBondContact OE1-ND1 2.79Å; H414-H419 AromaticContact CE1-CD2 3.77Å; H414-H419 AromaticContact CE1-NE2 3.52Å; H414-H419 AromaticContact NE2-CD2 3.79Å; H414-H419 AromaticContact NE2-NE2 3.52Å; E415-H419 WeakPolarHBondContact O-CA 3.39Å; E415-H419 VanDerWaalsContact O-CB 3.31Å; E415-H419 WeakPolarHBondContact O-CB 3.4Å; E415-H419 PolarHBondContact O-N 3.31Å
420	R	72	Confident	76.2	Confident	145 Å²	145	73.7 Å²	73.7	55%	0.547	37%	0.367	S	S	.	.	I	π-helix	trans	-85.3	-15	171.5	-81.7	174.6	-91.5	-88.3	-0.8	114.3	E415 A416 E422	E415-R420 PolarHBondContact O-N 2.97Å; E415-R420 IonicContact OE2-NH2 3.62Å; E415-R420 PolarHBondContact OE2-NH2 3.06Å; A416-R420 CarbonylContact O-C 3.43Å; R420-E422 HydrophobicContact CB-CB 4.17Å; R420-E422 HydrophobicContact CB-CG 4.01Å; R420-E422 PolarHBondContact O-N 2.15Å
421	G	66.9	Low	76.3	Confident	55 Å²	55	72 Å²	72	57%	0.567	37%	0.371	S	S	*	.			trans	72.2	-17.2	-172.5	0	0	0	0	0	114.5	A416 K423	A416-G421 CarbonylContact O-C 3.55Å; A416-G421 WeakPolarHBondContact O-CA 3.43Å; A416-G421 PolarHBondContact O-N 2.99Å; G421-K423 PolarHBondContact O-N 3Å; G421-K423 VanDerWaalsContact O-N 3.09Å
422	E	66.9	Low	76.2	Confident	107 Å²	107	76 Å²	76	50%	0.5	39%	0.389	S	S	.	.			trans	-52.8	106.5	170.6	-70.7	170.3	-175.6	0	0	112.1	A416 A417 R420 P424	A416-E422 CarbonylContact C-O 3.26Å; A416-E422 WeakPolarHBondContact CA-O 3.24Å; A416-E422 HydrophobicContact CB-CB 4.21Å; A416-E422 WeakPolarHBondContact CB-O 3.46Å; A416-E422 PolarHBondContact O-N 3Å; A416-E422 VanDerWaalsContact O-N 3.14Å; A416-E422 VanDerWaalsContact O-O 3.06Å; A417-E422 PolarHBondContact N-O 3.02Å; R420-E422 HydrophobicContact CB-CB 4.17Å; R420-E422 HydrophobicContact CB-CG 4.01Å; R420-E422 PolarHBondContact O-N 2.15Å; E422-P424 VanDerWaalsContact O-CD 3.31Å; E422-P424 WeakPolarHBondContact O-CD 3.21Å
423	K	69.7	Low	76.2	Confident	94 Å²	94	75.4 Å²	75.4	41%	0.409	39%	0.387	S	S	.	.			trans	-87.6	109.3	165.6	-71.6	-178.7	-163.6	165	0	107.8	G421 F425 R433	G421-K423 PolarHBondContact O-N 3Å; G421-K423 VanDerWaalsContact O-N 3.09Å; K423-F425 PolarHBondContact O-N 2.99Å; K423-F425 VanDerWaalsContact O-N 3.17Å; K423-R433 HydrophobicContact CB-CB 3.57Å; K423-R433 HydrophobicContact CD-CB 4.06Å; K423-R433 WeakPolarHBondContact CD-O 3.43Å; K423-R433 HydrophobicContact CG-CB 4.48Å; K423-R433 PolarHBondContact NZ-O 2.9Å
424	P	71.1	Confident	76.3	Confident	67 Å²	67	73.5 Å²	73.5	44%	0.435	38%	0.377	S	S	.	.	S	Bend	trans	-71.3	-14.6	-164.6	-22.1	35.2	0	0	0	115.2	A416 E422	A416-P424 HydrophobicContact CB-CG 3.8Å; E422-P424 VanDerWaalsContact O-CD 3.31Å; E422-P424 WeakPolarHBondContact O-CD 3.21Å
425	F	76.7	Confident	76	Confident	50 Å²	50	75.5 Å²	75.5	22%	0.219	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	96.1	-174	-54.8	-80.6	0	0	0	109.4	V413 K423 R433 A434 S436 R437 L440	V413-F425 HydrophobicContact CG2-CE2 4.41Å; K423-F425 PolarHBondContact O-N 2.99Å; K423-F425 VanDerWaalsContact O-N 3.17Å; F425-R433 WeakPolarHBondContact O-CA 3.42Å; F425-A434 PolarHBondContact N-O 2.9Å; F425-A434 PolarHBondContact O-N 2.83Å; F425-S436 VanDerWaalsContact CD2-CA 3.42Å; F425-R437 HydrophobicContact CD1-CB 3.93Å; F425-R437 HydrophobicContact CD1-CG 4.36Å; F425-R437 HydrophobicContact CE1-CB 3.73Å; F425-R437 HydrophobicContact CE1-CG 4.33Å; F425-R437 HydrophobicContact CZ-CB 4.19Å; F425-L440 HydrophobicContact CB-CB 3.92Å; F425-L440 HydrophobicContact CB-CD2 3.85Å; F425-L440 HydrophobicContact CB-CG 4.47Å
426	V	78.9	Confident	76.1	Confident	54 Å²	54	76.3 Å²	76.3	33%	0.327	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.2	179	-170.9	0	0	0	0	110	R433 L440	V426-R433 HydrophobicContact CG1-CG 4.25Å; V426-R433 HydrophobicContact CG2-CG 3.99Å; V426-L440 VanDerWaalsContact O-CD2 3.29Å; V426-L440 WeakPolarHBondContact O-CD2 3.26Å
427	C	84.1	Confident	76.1	Confident	2 Å²	2	84.7 Å²	84.7	1%	0.014	43%	0.432	C	S	.	.			trans	-82.9	118.4	165.9	-174.4	0	0	0	0	109.8	E429 C430 G431 H432 L440	C427-E429 VanDerWaalsContact C-N 3.26Å; C427-E429 PolarHBondContact O-N 3.22Å; C427-C430 PolarHBondContact O-N 3.08Å; C427-G431 WeakPolarHBondContact O-CA 3.2Å; C427-G431 PolarHBondContact O-N 2.87Å; C427-H432 HydrophobicContact CB-CB 4.17Å; C427-H432 WeakPolarHBondContact CB-O 3.46Å; C427-H432 PolarHBondContact N-O 3.26Å; C427-L440 HydrophobicContact CB-CD1 3.57Å
428	E	80.9	Confident	76.5	Confident	196 Å²	196	89 Å²	89	92%	0.916	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.2	176.2	-70.6	149.7	-156.6	0	0	111.7	C430	E428-C430 PolarHBondContact O-N 2.82Å
429	E	81.4	Confident	77.1	Confident	115 Å²	115	83.1 Å²	83.1	54%	0.537	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.3	-176.7	-58.4	179	-125.6	0	0	115.1	C427 H448	C427-E429 VanDerWaalsContact C-N 3.26Å; C427-E429 PolarHBondContact O-N 3.22Å; E429-H448 WeakPolarHBondContact CB-CE1 3.45Å; E429-H448 VanDerWaalsContact CB-ND1 3.27Å; E429-H448 WeakPolarHBondContact CB-ND1 3.33Å; E429-H448 WeakPolarHBondContact OE2-CB 3.3Å; E429-H448 IonicContact OE2-CE1 3.19Å; E429-H448 IonicContact OE2-CG 3.65Å; E429-H448 VanDerWaalsContact OE2-CG 3.28Å; E429-H448 IonicContact OE2-ND1 2.64Å; E429-H448 PolarHBondContact OE2-ND1 3.49Å
430	C	80.8	Confident	77.3	Confident	68 Å²	68	81.2 Å²	81.2	46%	0.459	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	9.7	177.8	69.6	0	0	0	0	116.3	C427 E428 H432 H443 H448	C427-C430 PolarHBondContact O-N 3.08Å; E428-C430 PolarHBondContact O-N 2.82Å; C430-H432 PolarHBondContact O-N 3.4Å; C430-H432 VanDerWaalsContact O-N 3.08Å; C430-H432 WeakPolarHBondContact SG-CB 3.09Å; C430-H443 VanDerWaalsContact SG-CE1 3.55Å; C430-H443 PolarHBondContact SG-NE2 2.89Å; C430-H448 PolarHBondContact SG-NE2 3.36Å
431	G	80.4	Confident	77.9	Confident	44 Å²	44	79.4 Å²	79.4	45%	0.454	42%	0.424	S	S	.	.			trans	68.1	-0.3	-175.9	0	0	0	0	0	115.5	C427 R433	C427-G431 WeakPolarHBondContact O-CA 3.2Å; C427-G431 PolarHBondContact O-N 2.87Å; G431-R433 WeakPolarHBondContact O-CG 3.4Å; G431-R433 PolarHBondContact O-N 2.97Å; G431-R433 VanDerWaalsContact O-N 3.08Å
432	H	79.5	Confident	78.6	Confident	90 Å²	90	79.8 Å²	79.8	42%	0.417	41%	0.412	S	S	.	.			trans	-62.9	114.9	-176.7	-178.3	82.4	0	0	0	111.6	C427 C430 H443	C427-H432 HydrophobicContact CB-CB 4.17Å; C427-H432 WeakPolarHBondContact CB-O 3.46Å; C427-H432 PolarHBondContact N-O 3.26Å; C430-H432 PolarHBondContact O-N 3.4Å; C430-H432 VanDerWaalsContact O-N 3.08Å; C430-H432 WeakPolarHBondContact SG-CB 3.09Å; H432-H443 AromaticContact CD2-CD2 3.96Å; H432-H443 AromaticContact CD2-CE1 3.97Å; H432-H443 AromaticContact CD2-CG 3.7Å; H432-H443 AromaticContact CD2-ND1 3.7Å; H432-H443 AromaticContact CG-CE1 3.75Å; H432-H443 AromaticContact CG-ND1 3.88Å
433	R	78.6	Confident	79.5	Confident	143 Å²	143	76 Å²	76	54%	0.54	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.1	179.4	-45.3	-165.1	176	-141.6	4.5	111.8	K423 F425 V426 G431	K423-R433 HydrophobicContact CB-CB 3.57Å; K423-R433 HydrophobicContact CD-CB 4.06Å; K423-R433 WeakPolarHBondContact CD-O 3.43Å; K423-R433 HydrophobicContact CG-CB 4.48Å; K423-R433 PolarHBondContact NZ-O 2.9Å; F425-R433 WeakPolarHBondContact O-CA 3.42Å; V426-R433 HydrophobicContact CG1-CG 4.25Å; V426-R433 HydrophobicContact CG2-CG 3.99Å; G431-R433 WeakPolarHBondContact O-CG 3.4Å; G431-R433 PolarHBondContact O-N 2.97Å; G431-R433 VanDerWaalsContact O-N 3.08Å
434	A	78.3	Confident	80.2	Confident	9 Å²	9	73.3 Å²	73.3	7%	0.074	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.1	178	0	0	0	0	0	112.1	F425 S436 L440	F425-A434 PolarHBondContact N-O 2.9Å; F425-A434 PolarHBondContact O-N 2.83Å; A434-S436 VanDerWaalsContact C-N 3.32Å; A434-S436 PolarHBondContact O-N 3.26Å; A434-L440 HydrophobicContact CB-CB 4.06Å
435	S	74.4	Confident	80.8	Confident	61 Å²	61	72.8 Å²	72.8	43%	0.427	38%	0.375	S	S	.	.	S	Bend	trans	-82.1	-3	179.3	53.8	0	0	0	0	114.4	V413	V413-S435 WeakPolarHBondContact CG1-O 3.08Å
436	S	79.5	Confident	81.1	Confident	51 Å²	51	71.1 Å²	71.1	36%	0.357	37%	0.37	S	S	.	.	S	Bend	trans	-150.9	152	176.1	65.4	0	0	0	0	111.9	F425 A434 N438 G439 L440	F425-S436 VanDerWaalsContact CD2-CA 3.42Å; A434-S436 VanDerWaalsContact C-N 3.32Å; A434-S436 PolarHBondContact O-N 3.26Å; S436-N438 VanDerWaalsContact C-N 3.3Å; S436-N438 PolarHBondContact O-N 3.5Å; S436-G439 WeakPolarHBondContact O-CA 3.42Å; S436-G439 PolarHBondContact O-N 3.29Å; S436-G439 PolarHBondContact OG-N 3.14Å; S436-G439 VanDerWaalsContact OG-N 3.09Å; S436-L440 PolarHBondContact O-N 3.34Å
437	R	77.6	Confident	81.2	Confident	183 Å²	183	73.4 Å²	73.4	69%	0.691	38%	0.38	S	S	*	.	H	α-helix	trans	-57.3	-41.9	176.6	-166.2	175.5	-178.7	90	-1.1	112.1	F425 L440 Q441	F425-R437 HydrophobicContact CD1-CB 3.93Å; F425-R437 HydrophobicContact CD1-CG 4.36Å; F425-R437 HydrophobicContact CE1-CB 3.73Å; F425-R437 HydrophobicContact CE1-CG 4.33Å; F425-R437 HydrophobicContact CZ-CB 4.19Å; R437-L440 PolarHBondContact O-N 2.96Å; R437-Q441 WeakPolarHBondContact O-CB 3.4Å; R437-Q441 PolarHBondContact O-N 3.17Å
438	N	82.1	Confident	81.1	Confident	117 Å²	117	75.8 Å²	75.8	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-65.5	-37.9	174.5	-69.6	36.7	0	0	0	111.7	S436 Q441 M442	S436-N438 VanDerWaalsContact C-N 3.3Å; S436-N438 PolarHBondContact O-N 3.5Å; N438-Q441 PolarHBondContact O-N 2.87Å; N438-M442 WeakPolarHBondContact O-CB 3.48Å; N438-M442 VanDerWaalsContact O-CG 3.23Å; N438-M442 WeakPolarHBondContact O-CG 3.3Å; N438-M442 PolarHBondContact O-N 2.97Å
439	G	81.9	Confident	81.1	Confident	30 Å²	30	74.1 Å²	74.1	31%	0.309	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-46.5	174	0	0	0	0	0	112.3	S436 M442 H443	S436-G439 WeakPolarHBondContact O-CA 3.42Å; S436-G439 PolarHBondContact O-N 3.29Å; S436-G439 PolarHBondContact OG-N 3.14Å; S436-G439 VanDerWaalsContact OG-N 3.09Å; G439-M442 PolarHBondContact O-N 3.06Å; G439-H443 WeakPolarHBondContact O-CB 3.1Å; G439-H443 PolarHBondContact O-N 2.67Å
440	L	82.9	Confident	81	Confident	25 Å²	25	73.5 Å²	73.5	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-48.3	174.4	176	60.5	0	0	0	111.7	F425 V426 C427 A434 S436 R437 M442 H443 I444	F425-L440 HydrophobicContact CB-CB 3.92Å; F425-L440 HydrophobicContact CB-CD2 3.85Å; F425-L440 HydrophobicContact CB-CG 4.47Å; V426-L440 VanDerWaalsContact O-CD2 3.29Å; V426-L440 WeakPolarHBondContact O-CD2 3.26Å; C427-L440 HydrophobicContact CB-CD1 3.57Å; A434-L440 HydrophobicContact CB-CB 4.06Å; S436-L440 PolarHBondContact O-N 3.34Å; R437-L440 PolarHBondContact O-N 2.96Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.29Å; L440-H443 WeakPolarHBondContact O-CA 3.33Å; L440-H443 WeakPolarHBondContact O-CB 3.41Å; L440-H443 PolarHBondContact O-N 3.5Å; L440-H443 VanDerWaalsContact O-N 3.07Å; L440-I444 HydrophobicContact CD1-CD1 3.98Å; L440-I444 HydrophobicContact CD1-CG1 4.18Å; L440-I444 HydrophobicContact CG-CD1 3.95Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 2.79Å
441	Q	83.3	Confident	81	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-34.6	-178.9	-165.1	178.2	21.8	0	0	112.4	R437 N438 K445	R437-Q441 WeakPolarHBondContact O-CB 3.4Å; R437-Q441 PolarHBondContact O-N 3.17Å; N438-Q441 PolarHBondContact O-N 2.87Å; Q441-K445 WeakPolarHBondContact O-CB 3.35Å; Q441-K445 WeakPolarHBondContact O-CG 3.36Å; Q441-K445 PolarHBondContact O-N 3Å; Q441-K445 VanDerWaalsContact O-N 3.09Å
442	M	82.3	Confident	81	Confident	64 Å²	64	76.7 Å²	76.7	32%	0.315	37%	0.368	S	S	.	.	H	α-helix	trans	-69.5	-34.9	171.4	-71.1	-60.8	100.6	0	0	112.2	N438 G439 L440 K445 A446	N438-M442 WeakPolarHBondContact O-CB 3.48Å; N438-M442 VanDerWaalsContact O-CG 3.23Å; N438-M442 WeakPolarHBondContact O-CG 3.3Å; N438-M442 PolarHBondContact O-N 2.97Å; G439-M442 PolarHBondContact O-N 3.06Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.29Å; M442-K445 HydrophobicContact CE-CD 3.91Å; M442-A446 WeakPolarHBondContact O-CB 3.44Å; M442-A446 PolarHBondContact O-N 3.18Å
443	H	84.8	Confident	81.1	Confident	26 Å²	26	76.6 Å²	76.6	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-50.2	173.9	158.2	78.4	0	0	0	111.7	C430 H432 G439 L440 K445 A446 I447 H448	C430-H443 VanDerWaalsContact SG-CE1 3.55Å; C430-H443 PolarHBondContact SG-NE2 2.89Å; H432-H443 AromaticContact CD2-CD2 3.96Å; H432-H443 AromaticContact CD2-CE1 3.97Å; H432-H443 AromaticContact CD2-CG 3.7Å; H432-H443 AromaticContact CD2-ND1 3.7Å; H432-H443 AromaticContact CG-CE1 3.75Å; H432-H443 AromaticContact CG-ND1 3.88Å; G439-H443 WeakPolarHBondContact O-CB 3.1Å; G439-H443 PolarHBondContact O-N 2.67Å; L440-H443 WeakPolarHBondContact O-CA 3.33Å; L440-H443 WeakPolarHBondContact O-CB 3.41Å; L440-H443 PolarHBondContact O-N 3.5Å; L440-H443 VanDerWaalsContact O-N 3.07Å; H443-K445 VanDerWaalsContact C-N 3.33Å; H443-K445 PolarHBondContact O-N 2.84Å; H443-A446 PolarHBondContact O-N 3.28Å; H443-I447 WeakPolarHBondContact O-CB 3.48Å; H443-I447 WeakPolarHBondContact O-CG1 3.39Å; H443-I447 PolarHBondContact O-N 3.38Å; H443-H448 AromaticContact CE1-NE2 3.9Å; H443-H448 AromaticContact NE2-CD2 3.75Å; H443-H448 AromaticContact NE2-NE2 3.53Å
444	I	84.3	Confident	81.4	Confident	38 Å²	38	73.1 Å²	73.1	20%	0.195	36%	0.364	C	S	.	.	I	π-helix	trans	-57	-47.4	176.6	-66.1	167.1	0	0	0	110.3	L440 H448 R449	L440-I444 HydrophobicContact CD1-CD1 3.98Å; L440-I444 HydrophobicContact CD1-CG1 4.18Å; L440-I444 HydrophobicContact CG-CD1 3.95Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 2.79Å; I444-H448 HydrophobicContact CG2-CB 4.46Å; I444-H448 WeakPolarHBondContact O-CB 3.35Å; I444-H448 PolarHBondContact O-N 3.16Å; I444-R449 HydrophobicContact CG2-CG 4.47Å; I444-R449 PolarHBondContact O-N 2.99Å
445	K	84	Confident	81.8	Confident	56 Å²	56	76 Å²	76	24%	0.243	38%	0.38	C	S	.	.	I	π-helix	trans	-60.2	-47.5	175.6	-76.6	-177.3	173.9	-67.4	0	112.6	Q441 M442 H443 N450 E451	Q441-K445 WeakPolarHBondContact O-CB 3.35Å; Q441-K445 WeakPolarHBondContact O-CG 3.36Å; Q441-K445 PolarHBondContact O-N 3Å; Q441-K445 VanDerWaalsContact O-N 3.09Å; M442-K445 HydrophobicContact CE-CD 3.91Å; H443-K445 VanDerWaalsContact C-N 3.33Å; H443-K445 PolarHBondContact O-N 2.84Å; K445-N450 CarbonylContact O-C 3.58Å; K445-N450 PolarHBondContact O-N 2.81Å; K445-N450 VanDerWaalsContact O-N 3.13Å; K445-E451 HydrophobicContact CB-CB 4.07Å; K445-E451 HydrophobicContact CG-CB 4.41Å; K445-E451 IonicContact NZ-OE1 2.99Å; K445-E451 PolarHBondContact NZ-OE1 2.85Å; K445-E451 IonicContact NZ-OE2 3.27Å; K445-E451 PolarHBondContact NZ-OE2 3.44Å; K445-E451 PolarHBondContact O-N 3.37Å
446	A	82.4	Confident	82.5	Confident	16 Å²	16	73 Å²	73	13%	0.132	36%	0.36	C	S	.	.	I	π-helix	trans	-76.9	-28.8	-172.1	0	0	0	0	0	115.2	M442 H443 S464	M442-A446 WeakPolarHBondContact O-CB 3.44Å; M442-A446 PolarHBondContact O-N 3.18Å; H443-A446 PolarHBondContact O-N 3.28Å; A446-S464 VanDerWaalsContact CB-CB 3.48Å
447	I	81.1	Confident	82.8	Confident	102 Å²	102	78.3 Å²	78.3	52%	0.523	38%	0.384	S	S	.	.	I	π-helix	trans	-108.7	-49.6	-171.9	-56.8	-57.6	0	0	0	111.5	H443 N450	H443-I447 WeakPolarHBondContact O-CB 3.48Å; H443-I447 WeakPolarHBondContact O-CG1 3.39Å; H443-I447 PolarHBondContact O-N 3.38Å; I447-N450 PolarHBondContact O-ND2 3.32Å
448	H	82.4	Confident	83.3	Confident	52 Å²	52	74.9 Å²	74.9	24%	0.241	38%	0.378	C	S	.	.	I	π-helix	trans	-84.1	-54.2	-173.3	-68.7	-97.8	0	0	0	111.1	E429 C430 H443 I444 N450	E429-H448 WeakPolarHBondContact CB-CE1 3.45Å; E429-H448 VanDerWaalsContact CB-ND1 3.27Å; E429-H448 WeakPolarHBondContact CB-ND1 3.33Å; E429-H448 WeakPolarHBondContact OE2-CB 3.3Å; E429-H448 IonicContact OE2-CE1 3.19Å; E429-H448 IonicContact OE2-CG 3.65Å; E429-H448 VanDerWaalsContact OE2-CG 3.28Å; E429-H448 IonicContact OE2-ND1 2.64Å; E429-H448 PolarHBondContact OE2-ND1 3.49Å; C430-H448 PolarHBondContact SG-NE2 3.36Å; H443-H448 AromaticContact CE1-NE2 3.9Å; H443-H448 AromaticContact NE2-CD2 3.75Å; H443-H448 AromaticContact NE2-NE2 3.53Å; I444-H448 HydrophobicContact CG2-CB 4.46Å; I444-H448 WeakPolarHBondContact O-CB 3.35Å; I444-H448 PolarHBondContact O-N 3.16Å; H448-N450 VanDerWaalsContact C-N 3.34Å; H448-N450 PolarHBondContact O-N 2.96Å
449	R	80.9	Confident	83.5	Confident	161 Å²	161	72 Å²	72	61%	0.608	37%	0.367	S	S	*	.	S	Bend	trans	-85.1	-7.5	-178.6	-56.2	-175.4	179.1	-157.8	-5.5	114.2	I444 E451	I444-R449 HydrophobicContact CG2-CG 4.47Å; I444-R449 PolarHBondContact O-N 2.99Å; R449-E451 HydrophobicContact CB-CG 3.89Å; R449-E451 WeakPolarHBondContact CD-OE1 3.36Å; R449-E451 PolarHBondContact O-N 3.28Å
450	N	79.4	Confident	83.5	Confident	101 Å²	101	73.2 Å²	73.2	54%	0.54	38%	0.379	S	S	.	.			trans	49.3	23.1	-173	-74	-81.4	0	0	0	114.8	K445 I447 H448 R452	K445-N450 CarbonylContact O-C 3.58Å; K445-N450 PolarHBondContact O-N 2.81Å; K445-N450 VanDerWaalsContact O-N 3.13Å; I447-N450 PolarHBondContact O-ND2 3.32Å; H448-N450 VanDerWaalsContact C-N 3.34Å; H448-N450 PolarHBondContact O-N 2.96Å; N450-R452 PolarHBondContact O-N 3.37Å; N450-R452 VanDerWaalsContact O-N 3.08Å
451	E	80.3	Confident	83.7	Confident	65 Å²	65	76.3 Å²	76.3	30%	0.304	39%	0.392	S	S	.	.			trans	-64	109.1	177.5	-74.9	-174.8	-125.9	0	0	110.1	K445 R449 P453	K445-E451 HydrophobicContact CB-CB 4.07Å; K445-E451 HydrophobicContact CG-CB 4.41Å; K445-E451 IonicContact NZ-OE1 2.99Å; K445-E451 PolarHBondContact NZ-OE1 2.85Å; K445-E451 IonicContact NZ-OE2 3.27Å; K445-E451 PolarHBondContact NZ-OE2 3.44Å; K445-E451 PolarHBondContact O-N 3.37Å; R449-E451 HydrophobicContact CB-CG 3.89Å; R449-E451 WeakPolarHBondContact CD-OE1 3.36Å; R449-E451 PolarHBondContact O-N 3.28Å; E451-P453 VanDerWaalsContact C-CD 3.41Å; E451-P453 WeakPolarHBondContact O-CD 3.17Å
452	R	81.4	Confident	83.8	Confident	115 Å²	115	72.6 Å²	72.6	43%	0.434	38%	0.38	S	S	.	.			trans	-121	67.7	178	-68.2	178.3	176.6	-149.4	11	111.2	N450 F454 A462 F463	N450-R452 PolarHBondContact O-N 3.37Å; N450-R452 VanDerWaalsContact O-N 3.08Å; R452-F454 PolarHBondContact O-N 3.32Å; R452-F454 VanDerWaalsContact O-N 3.1Å; R452-A462 HydrophobicContact CB-CB 3.62Å; R452-A462 PolarHBondContact NH1-O 2.88Å; R452-F463 CarbonylContact C-O 3.37Å; R452-F463 VanDerWaalsContact CA-O 3.3Å; R452-F463 WeakPolarHBondContact CA-O 3.18Å
453	P	80.5	Confident	83.9	Confident	87 Å²	87	71 Å²	71	57%	0.565	37%	0.371	S	S	*	.			trans	-69	-9.4	-170.9	28.7	-36.4	0	0	0	114.6	E451	E451-P453 VanDerWaalsContact C-CD 3.41Å; E451-P453 WeakPolarHBondContact O-CD 3.17Å
454	F	85.3	Confident	83.9	Confident	70 Å²	70	71.1 Å²	71.1	31%	0.307	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	85.8	-179.6	-55.4	-74.6	0	0	0	110.1	R452 F463 K466 L469	R452-F454 PolarHBondContact O-N 3.32Å; R452-F454 VanDerWaalsContact O-N 3.1Å; F454-F463 HydrophobicContact CB-CB 4.34Å; F454-F463 WeakPolarHBondContact CB-O 3.25Å; F454-F463 PolarHBondContact N-O 3.2Å; F454-F463 VanDerWaalsContact N-O 3.08Å; F454-F463 PolarHBondContact O-N 3.37Å; F454-K466 HydrophobicContact CD1-CB 3.87Å; F454-K466 HydrophobicContact CD1-CG 4.26Å; F454-K466 VanDerWaalsContact CD2-N 3.34Å; F454-K466 HydrophobicContact CE1-CB 3.74Å; F454-K466 HydrophobicContact CE1-CG 4.29Å; F454-K466 HydrophobicContact CE2-CB 4.48Å; F454-K466 HydrophobicContact CG-CB 4.31Å; F454-K466 HydrophobicContact CZ-CB 4.05Å; F454-L469 HydrophobicContact CB-CB 4.03Å; F454-L469 HydrophobicContact CB-CD2 3.86Å
455	V	86.4	Confident	83.9	Confident	69 Å²	69	73 Å²	73	42%	0.418	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.2	178.3	-174.8	0	0	0	0	110.9	A462 L469	V455-A462 HydrophobicContact CG2-CB 4.17Å; V455-L469 WeakPolarHBondContact O-CD2 3.11Å
456	C	90.1	Very high	83.9	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.397	C	S	.	.			trans	-82.7	114.7	169.7	-177.6	0	0	0	0	110.9	I458 C459 G460 H461 F463 L469 H476	C456-I458 PolarHBondContact O-N 3.37Å; C456-I458 VanDerWaalsContact O-N 3.08Å; C456-C459 PolarHBondContact O-N 2.93Å; C456-C459 VanDerWaalsContact SG-SG 3.69Å; C456-G460 VanDerWaalsContact O-CA 3.31Å; C456-G460 WeakPolarHBondContact O-CA 3.34Å; C456-G460 PolarHBondContact O-N 3.18Å; C456-H461 WeakPolarHBondContact CB-O 3.27Å; C456-H461 PolarHBondContact N-O 2.96Å; C456-F463 HydrophobicContact CB-CE2 4.3Å; C456-L469 HydrophobicContact CB-CD1 3.62Å; C456-H476 PolarHBondContact SG-NE2 3.04Å
457	N	86.2	Confident	84.1	Confident	161 Å²	161	81.3 Å²	81.3	86%	0.861	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.9	-179.2	-62.1	-1.9	0	0	0	114.1
458	I	87.3	Confident	84.3	Confident	111 Å²	111	79.1 Å²	79.1	57%	0.569	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-34.7	-174.9	-56.9	172.5	0	0	0	112	C456 L473 H476	C456-I458 PolarHBondContact O-N 3.37Å; C456-I458 VanDerWaalsContact O-N 3.08Å; I458-L473 HydrophobicContact CD1-CD2 4.25Å; I458-H476 HydrophobicContact CD1-CB 3.56Å; I458-H476 HydrophobicContact CG2-CB 4.21Å
459	C	86.1	Confident	84.6	Confident	58 Å²	58	77.7 Å²	77.7	39%	0.392	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	2.2	-175.3	68.6	0	0	0	0	114.9	C456 H461 H472 H476	C456-C459 PolarHBondContact O-N 2.93Å; C456-C459 VanDerWaalsContact SG-SG 3.69Å; C459-H461 PolarHBondContact O-N 3.12Å; C459-H461 VanDerWaalsContact O-N 3.14Å; C459-H461 VanDerWaalsContact SG-CB 3.56Å; C459-H472 PolarHBondContact SG-NE2 2.97Å; C459-H476 WeakPolarHBondContact CB-CE1 3.44Å; C459-H476 VanDerWaalsContact SG-CE1 3.58Å; C459-H476 PolarHBondContact SG-NE2 2.77Å
460	G	82.7	Confident	84.8	Confident	54 Å²	54	73.8 Å²	73.8	56%	0.557	40%	0.396	S	S	*	.			trans	70.6	-2.4	-177	0	0	0	0	0	115.4	C456 A462	C456-G460 VanDerWaalsContact O-CA 3.31Å; C456-G460 WeakPolarHBondContact O-CA 3.34Å; C456-G460 PolarHBondContact O-N 3.18Å; G460-A462 PolarHBondContact O-N 2.95Å
461	H	85.6	Confident	85.1	Confident	90 Å²	90	73.1 Å²	73.1	42%	0.417	39%	0.391	S	S	.	.			trans	-69.3	126.5	-176.3	-168.7	-67.5	0	0	0	111.5	C456 C459 F463	C456-H461 WeakPolarHBondContact CB-O 3.27Å; C456-H461 PolarHBondContact N-O 2.96Å; C459-H461 PolarHBondContact O-N 3.12Å; C459-H461 VanDerWaalsContact O-N 3.14Å; C459-H461 VanDerWaalsContact SG-CB 3.56Å; H461-F463 HydrophobicContact CB-CE2 4.09Å; H461-F463 HydrophobicContact CB-CZ 4.29Å; H461-F463 AromaticContact CE1-CE1 3.72Å; H461-F463 AromaticContact CE1-CZ 3.72Å; H461-F463 AromaticContact CG-CZ 3.83Å; H461-F463 AromaticContact ND1-CD2 3.94Å; H461-F463 AromaticContact ND1-CE1 3.54Å; H461-F463 AromaticContact ND1-CE2 3.34Å; H461-F463 VanDerWaalsContact ND1-CE2 3.34Å; H461-F463 WeakPolarHBondContact ND1-CE2 3.47Å; H461-F463 AromaticContact ND1-CZ 3.1Å; H461-F463 WeakPolarHBondContact ND1-CZ 3.44Å; H461-F463 WeakPolarHBondContact O-CD2 3.31Å; H461-F463 VanDerWaalsContact O-CE2 3.26Å; H461-F463 WeakPolarHBondContact O-CE2 3.45Å
462	A	85.7	Confident	85.5	Confident	29 Å²	29	71.7 Å²	71.7	24%	0.24	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.8	-176.8	0	0	0	0	0	113.2	R452 V455 G460	R452-A462 HydrophobicContact CB-CB 3.62Å; R452-A462 PolarHBondContact NH1-O 2.88Å; V455-A462 HydrophobicContact CG2-CB 4.17Å; G460-A462 PolarHBondContact O-N 2.95Å
463	F	85.9	Confident	85.7	Confident	31 Å²	31	69.1 Å²	69.1	14%	0.136	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148	-179.3	-59.5	-88.1	0	0	0	111.7	R452 F454 C456 H461 N468 L469 H472	R452-F463 CarbonylContact C-O 3.37Å; R452-F463 VanDerWaalsContact CA-O 3.3Å; R452-F463 WeakPolarHBondContact CA-O 3.18Å; F454-F463 HydrophobicContact CB-CB 4.34Å; F454-F463 WeakPolarHBondContact CB-O 3.25Å; F454-F463 PolarHBondContact N-O 3.2Å; F454-F463 VanDerWaalsContact N-O 3.08Å; F454-F463 PolarHBondContact O-N 3.37Å; C456-F463 HydrophobicContact CB-CE2 4.3Å; H461-F463 HydrophobicContact CB-CE2 4.09Å; H461-F463 HydrophobicContact CB-CZ 4.29Å; H461-F463 AromaticContact CE1-CE1 3.72Å; H461-F463 AromaticContact CE1-CZ 3.72Å; H461-F463 AromaticContact CG-CZ 3.83Å; H461-F463 AromaticContact ND1-CD2 3.94Å; H461-F463 AromaticContact ND1-CE1 3.54Å; H461-F463 AromaticContact ND1-CE2 3.34Å; H461-F463 VanDerWaalsContact ND1-CE2 3.34Å; H461-F463 WeakPolarHBondContact ND1-CE2 3.47Å; H461-F463 AromaticContact ND1-CZ 3.1Å; H461-F463 WeakPolarHBondContact ND1-CZ 3.44Å; H461-F463 WeakPolarHBondContact O-CD2 3.31Å; H461-F463 VanDerWaalsContact O-CE2 3.26Å; H461-F463 WeakPolarHBondContact O-CE2 3.45Å; F463-N468 HydrophobicContact CB-CB 4.41Å; F463-N468 HydrophobicContact CD1-CB 4.11Å; F463-L469 HydrophobicContact CB-CB 4.38Å; F463-L469 HydrophobicContact CD2-CB 4.07Å; F463-L469 HydrophobicContact CD2-CD1 3.93Å; F463-L469 HydrophobicContact CE2-CD1 4.14Å; F463-L469 HydrophobicContact CG-CB 4.4Å; F463-H472 HydrophobicContact CE1-CB 4.09Å; F463-H472 HydrophobicContact CE2-CB 3.9Å; F463-H472 AromaticContact CE2-CD2 3.56Å; F463-H472 AromaticContact CE2-CG 3.65Å; F463-H472 HydrophobicContact CZ-CB 3.51Å; F463-H472 AromaticContact CZ-CD2 3.66Å; F463-H472 AromaticContact CZ-CG 3.29Å; F463-H472 AromaticContact CZ-ND1 3.65Å
464	S	83.4	Confident	86	Confident	27 Å²	27	68.2 Å²	68.2	19%	0.189	36%	0.364	C	S	.	.	S	Bend	trans	-81.2	-11.7	177	52.5	0	0	0	0	114.4	A446	A446-S464 VanDerWaalsContact CB-CB 3.48Å
465	Q	84.6	Confident	86	Confident	79 Å²	79	68.3 Å²	68.3	37%	0.369	37%	0.37	S	S	.	.	S	Bend	trans	-140	138	-178.9	-60.3	-178.6	5.9	0	0	111.7	N467 N468 L469	Q465-N467 VanDerWaalsContact C-N 3.27Å; Q465-N467 PolarHBondContact O-N 3.35Å; Q465-N468 HydrophobicContact CB-CB 4.44Å; Q465-N468 WeakPolarHBondContact O-CB 3.47Å; Q465-N468 PolarHBondContact O-N 2.78Å; Q465-N468 VanDerWaalsContact O-N 3.09Å; Q465-L469 PolarHBondContact O-N 2.88Å; Q465-L469 VanDerWaalsContact O-N 3.16Å
466	K	84.6	Confident	85.9	Confident	125 Å²	125	69 Å²	69	54%	0.543	37%	0.368	S	S	.	.	H	α-helix	trans	-56.6	-38.4	177.6	-168.5	178	179.9	-177.8	0	112.7	F454 N468 L469 N470	F454-K466 HydrophobicContact CD1-CB 3.87Å; F454-K466 HydrophobicContact CD1-CG 4.26Å; F454-K466 VanDerWaalsContact CD2-N 3.34Å; F454-K466 HydrophobicContact CE1-CB 3.74Å; F454-K466 HydrophobicContact CE1-CG 4.29Å; F454-K466 HydrophobicContact CE2-CB 4.48Å; F454-K466 HydrophobicContact CG-CB 4.31Å; F454-K466 HydrophobicContact CZ-CB 4.05Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 2.91Å; K466-L469 PolarHBondContact O-N 3.48Å; K466-N470 PolarHBondContact O-N 2.96Å; K466-N470 PolarHBondContact O-OD1 3.34Å
467	N	85.3	Confident	85.6	Confident	121 Å²	121	72.2 Å²	72.2	65%	0.647	39%	0.391	S	S	*	.	H	α-helix	trans	-64.5	-35.5	179.3	-65.9	6.5	0	0	0	112.1	Q465 N470 M471	Q465-N467 VanDerWaalsContact C-N 3.27Å; Q465-N467 PolarHBondContact O-N 3.35Å; N467-N470 PolarHBondContact O-N 3.13Å; N467-M471 WeakPolarHBondContact O-CB 3.5Å; N467-M471 PolarHBondContact O-N 3.01Å
468	N	86.6	Confident	85.4	Confident	56 Å²	56	66.5 Å²	66.5	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-71	-37.8	175.6	-66.8	-20.3	0	0	0	111.3	F463 Q465 K466 H472	F463-N468 HydrophobicContact CB-CB 4.41Å; F463-N468 HydrophobicContact CD1-CB 4.11Å; Q465-N468 HydrophobicContact CB-CB 4.44Å; Q465-N468 WeakPolarHBondContact O-CB 3.47Å; Q465-N468 PolarHBondContact O-N 2.78Å; Q465-N468 VanDerWaalsContact O-N 3.09Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 2.91Å; N468-H472 VanDerWaalsContact O-CB 3.31Å; N468-H472 WeakPolarHBondContact O-CB 3.37Å; N468-H472 PolarHBondContact O-N 3.12Å
469	L	88.4	Confident	85.2	Confident	21 Å²	21	66 Å²	66	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-48.5	170.3	173.2	60.3	0	0	0	111.2	F454 V455 C456 F463 Q465 K466 M471 H472 L473	F454-L469 HydrophobicContact CB-CB 4.03Å; F454-L469 HydrophobicContact CB-CD2 3.86Å; V455-L469 WeakPolarHBondContact O-CD2 3.11Å; C456-L469 HydrophobicContact CB-CD1 3.62Å; F463-L469 HydrophobicContact CB-CB 4.38Å; F463-L469 HydrophobicContact CD2-CB 4.07Å; F463-L469 HydrophobicContact CD2-CD1 3.93Å; F463-L469 HydrophobicContact CE2-CD1 4.14Å; F463-L469 HydrophobicContact CG-CB 4.4Å; Q465-L469 PolarHBondContact O-N 2.88Å; Q465-L469 VanDerWaalsContact O-N 3.16Å; K466-L469 PolarHBondContact O-N 3.48Å; L469-M471 VanDerWaalsContact C-N 3.35Å; L469-M471 PolarHBondContact O-N 2.94Å; L469-H472 CarbonylContact O-C 3.52Å; L469-H472 WeakPolarHBondContact O-CA 3.28Å; L469-H472 WeakPolarHBondContact O-CB 3.42Å; L469-H472 PolarHBondContact O-N 2.96Å; L469-L473 HydrophobicContact CD1-CD1 4.31Å; L469-L473 HydrophobicContact CD1-CD2 4.33Å; L469-L473 HydrophobicContact CD1-CG 4Å; L469-L473 HydrophobicContact CG-CD1 4.15Å; L469-L473 HydrophobicContact CG-CG 4.31Å; L469-L473 WeakPolarHBondContact O-CG 3.17Å; L469-L473 PolarHBondContact O-N 3.29Å
470	N	85.6	Confident	85.1	Confident	80 Å²	80	69.4 Å²	69.4	43%	0.428	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-43.3	178.7	-73.9	12.5	0	0	0	112.1	K466 N467 H472 L473 R474	K466-N470 PolarHBondContact O-N 2.96Å; K466-N470 PolarHBondContact O-OD1 3.34Å; N467-N470 PolarHBondContact O-N 3.13Å; N470-H472 VanDerWaalsContact C-N 3.27Å; N470-H472 PolarHBondContact O-N 3.48Å; N470-L473 PolarHBondContact O-N 3.44Å; N470-R474 PolarHBondContact O-N 3.15Å
471	M	85.4	Confident	85.2	Confident	86 Å²	86	70.7 Å²	70.7	42%	0.424	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-32.7	174.1	-178.9	175.8	61.5	0	0	112.4	N467 L469 T493	N467-M471 WeakPolarHBondContact O-CB 3.5Å; N467-M471 PolarHBondContact O-N 3.01Å; L469-M471 VanDerWaalsContact C-N 3.35Å; L469-M471 PolarHBondContact O-N 2.94Å; M471-T493 HydrophobicContact CG-CG2 3.97Å; M471-T493 HydrophobicContact SD-CG2 3.57Å; M471-T493 VanDerWaalsContact SD-CG2 3.57Å
472	H	87.5	Confident	85.2	Confident	36 Å²	36	69.9 Å²	69.9	17%	0.167	36%	0.363	C	S	.	.	H	α-helix	trans	-75.2	-34.9	173.2	174	77.3	0	0	0	113.1	C459 F463 N468 L469 N470 R474 V475 H476	C459-H472 PolarHBondContact SG-NE2 2.97Å; F463-H472 HydrophobicContact CE1-CB 4.09Å; F463-H472 HydrophobicContact CE2-CB 3.9Å; F463-H472 AromaticContact CE2-CD2 3.56Å; F463-H472 AromaticContact CE2-CG 3.65Å; F463-H472 HydrophobicContact CZ-CB 3.51Å; F463-H472 AromaticContact CZ-CD2 3.66Å; F463-H472 AromaticContact CZ-CG 3.29Å; F463-H472 AromaticContact CZ-ND1 3.65Å; N468-H472 VanDerWaalsContact O-CB 3.31Å; N468-H472 WeakPolarHBondContact O-CB 3.37Å; N468-H472 PolarHBondContact O-N 3.12Å; L469-H472 CarbonylContact O-C 3.52Å; L469-H472 WeakPolarHBondContact O-CA 3.28Å; L469-H472 WeakPolarHBondContact O-CB 3.42Å; L469-H472 PolarHBondContact O-N 2.96Å; N470-H472 VanDerWaalsContact C-N 3.27Å; N470-H472 PolarHBondContact O-N 3.48Å; H472-R474 PolarHBondContact O-N 3.31Å; H472-V475 WeakPolarHBondContact O-CA 3.38Å; H472-V475 WeakPolarHBondContact O-CB 3.49Å; H472-V475 WeakPolarHBondContact O-CG2 3.38Å; H472-V475 PolarHBondContact O-N 2.85Å; H472-H476 AromaticContact CD2-NE2 3.03Å; H472-H476 PolarHBondContact CD2-NE2 3.12Å; H472-H476 AromaticContact CE1-NE2 3.02Å; H472-H476 PolarHBondContact CE1-NE2 3.19Å; H472-H476 AromaticContact NE2-CD2 3.88Å; H472-H476 AromaticContact NE2-NE2 2.15Å; H472-H476 PolarHBondContact NE2-NE2 3.34Å
473	L	86.6	Confident	85.4	Confident	60 Å²	60	73.4 Å²	73.4	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-33.5	178.7	-75	170.6	0	0	0	112	I458 L469 N470 V475 H476 S477	I458-L473 HydrophobicContact CD1-CD2 4.25Å; L469-L473 HydrophobicContact CD1-CD1 4.31Å; L469-L473 HydrophobicContact CD1-CD2 4.33Å; L469-L473 HydrophobicContact CD1-CG 4Å; L469-L473 HydrophobicContact CG-CD1 4.15Å; L469-L473 HydrophobicContact CG-CG 4.31Å; L469-L473 WeakPolarHBondContact O-CG 3.17Å; L469-L473 PolarHBondContact O-N 3.29Å; N470-L473 PolarHBondContact O-N 3.44Å; L473-V475 PolarHBondContact O-N 3.27Å; L473-H476 PolarHBondContact O-N 3.3Å; L473-S477 PolarHBondContact O-N 2.84Å; L473-S477 VanDerWaalsContact O-N 3.15Å
474	R	87	Confident	85.7	Confident	69 Å²	69	71.9 Å²	71.9	26%	0.26	37%	0.368	S	S	.	.	H	α-helix	trans	-55.2	-22.1	169.3	-66	-173.5	178.5	155.9	4.3	114.2	N470 H472 H476 S477 G478 E479 R492	N470-R474 PolarHBondContact O-N 3.15Å; H472-R474 PolarHBondContact O-N 3.31Å; R474-H476 VanDerWaalsContact C-N 3.3Å; R474-S477 WeakPolarHBondContact CA-OG 3.39Å; R474-G478 PolarHBondContact O-N 3.41Å; R474-E479 HydrophobicContact CB-CB 4.07Å; R474-E479 HydrophobicContact CG-CB 3.96Å; R474-E479 IonicContact NE-OE2 2.81Å; R474-E479 PolarHBondContact O-N 3.43Å; R474-R492 VanDerWaalsContact C-NE 3.31Å; R474-R492 HydrophobicContact CB-CG 3.81Å; R474-R492 PolarHBondContact NH1-O 3.35Å; R474-R492 PolarHBondContact O-NE 3.26Å; R474-R492 PolarHBondContact O-NH2 3.04Å
475	V	85.3	Confident	85.8	Confident	72 Å²	72	78.9 Å²	78.9	44%	0.436	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-37.5	173.9	-177.7	0	0	0	0	111	H472 L473	H472-V475 WeakPolarHBondContact O-CA 3.38Å; H472-V475 WeakPolarHBondContact O-CB 3.49Å; H472-V475 WeakPolarHBondContact O-CG2 3.38Å; H472-V475 PolarHBondContact O-N 2.85Å; L473-V475 PolarHBondContact O-N 3.27Å
476	H	84.9	Confident	85.8	Confident	82 Å²	82	80.9 Å²	80.9	38%	0.38	41%	0.409	S	S	.	.	H	α-helix	trans	-86.6	-40.8	-178.7	-55.7	-65.6	0	0	0	112.4	C456 I458 C459 H472 L473 R474 G478	C456-H476 PolarHBondContact SG-NE2 3.04Å; I458-H476 HydrophobicContact CD1-CB 3.56Å; I458-H476 HydrophobicContact CG2-CB 4.21Å; C459-H476 WeakPolarHBondContact CB-CE1 3.44Å; C459-H476 VanDerWaalsContact SG-CE1 3.58Å; C459-H476 PolarHBondContact SG-NE2 2.77Å; H472-H476 AromaticContact CD2-NE2 3.03Å; H472-H476 PolarHBondContact CD2-NE2 3.12Å; H472-H476 AromaticContact CE1-NE2 3.02Å; H472-H476 PolarHBondContact CE1-NE2 3.19Å; H472-H476 AromaticContact NE2-CD2 3.88Å; H472-H476 AromaticContact NE2-NE2 2.15Å; H472-H476 PolarHBondContact NE2-NE2 3.34Å; L473-H476 PolarHBondContact O-N 3.3Å; R474-H476 VanDerWaalsContact C-N 3.3Å; H476-G478 PolarHBondContact O-N 3.02Å
477	S	81.8	Confident	85.9	Confident	69 Å²	69	77.3 Å²	77.3	48%	0.483	40%	0.4	S	S	.	.	S	Bend	trans	-73.5	-4.4	175.9	64.1	0	0	0	0	114.2	L473 R474 E479	L473-S477 PolarHBondContact O-N 2.84Å; L473-S477 VanDerWaalsContact O-N 3.15Å; R474-S477 WeakPolarHBondContact CA-OG 3.39Å; S477-E479 WeakPolarHBondContact CB-OE1 3.39Å; S477-E479 PolarHBondContact O-N 3.28Å; S477-E479 VanDerWaalsContact OG-CD 3.26Å; S477-E479 WeakPolarHBondContact OG-CG 3.41Å; S477-E479 PolarHBondContact OG-OE1 3.44Å
478	G	82.8	Confident	85.8	Confident	41 Å²	41	73.5 Å²	73.5	42%	0.423	39%	0.389	S	S	.	.			trans	74.4	-12.2	-177.7	0	0	0	0	0	114.7	R474 H476 R480 R492	R474-G478 PolarHBondContact O-N 3.41Å; H476-G478 PolarHBondContact O-N 3.02Å; G478-R480 WeakPolarHBondContact O-CG 3.5Å; G478-R480 PolarHBondContact O-N 3.23Å; G478-R492 PolarHBondContact O-NH2 3.46Å
479	E	83.6	Confident	85.9	Confident	99 Å²	99	76.2 Å²	76.2	46%	0.463	40%	0.398	S	S	.	.			trans	-46.8	128.2	-176.1	-81.3	167.1	-113.5	0	0	114.4	R474 S477 R492	R474-E479 HydrophobicContact CB-CB 4.07Å; R474-E479 HydrophobicContact CG-CB 3.96Å; R474-E479 IonicContact NE-OE2 2.81Å; R474-E479 PolarHBondContact O-N 3.43Å; S477-E479 WeakPolarHBondContact CB-OE1 3.39Å; S477-E479 PolarHBondContact O-N 3.28Å; S477-E479 VanDerWaalsContact OG-CD 3.26Å; S477-E479 WeakPolarHBondContact OG-CG 3.41Å; S477-E479 PolarHBondContact OG-OE1 3.44Å; E479-R492 PolarHBondContact O-NE 3Å; E479-R492 PolarHBondContact O-NH2 3.12Å
480	R	83.8	Confident	85.8	Confident	130 Å²	130	77.7 Å²	77.7	49%	0.491	41%	0.408	S	S	.	.			trans	-140.3	66	179.4	-68.7	163.6	82.9	131.5	6.9	110.4	G478 Y482 T490 F491	G478-R480 WeakPolarHBondContact O-CG 3.5Å; G478-R480 PolarHBondContact O-N 3.23Å; R480-Y482 PolarHBondContact O-N 2.99Å; R480-Y482 VanDerWaalsContact O-N 3.08Å; R480-T490 VanDerWaalsContact CZ-O 3.24Å; R480-T490 PolarHBondContact NE-O 2.98Å; R480-T490 PolarHBondContact NE-OG1 2.97Å; R480-T490 PolarHBondContact NH2-O 3.09Å; R480-T490 WeakPolarHBondContact O-CB 3.4Å; R480-F491 CarbonylContact C-O 3.4Å; R480-F491 WeakPolarHBondContact CA-O 3.33Å
481	P	84.4	Confident	85.9	Confident	81 Å²	81	75.7 Å²	75.7	53%	0.526	40%	0.395	S	S	.	.			trans	-71.5	-1.7	-168.8	29.6	-36.5	0	0	0	115.4
482	Y	86.6	Confident	85.9	Confident	74 Å²	74	74.7 Å²	74.7	29%	0.29	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	105.1	-178.8	-58.7	-78.2	0	0	0	109.9	R480 T490 F491 R492 T493 Q494	R480-Y482 PolarHBondContact O-N 2.99Å; R480-Y482 VanDerWaalsContact O-N 3.08Å; Y482-T490 CarbonylContact O-C 2.94Å; Y482-T490 WeakPolarHBondContact O-CA 3.45Å; Y482-F491 PolarHBondContact N-O 3.48Å; Y482-F491 VanDerWaalsContact N-O 3.12Å; Y482-F491 WeakPolarHBondContact O-CB 3.44Å; Y482-F491 PolarHBondContact O-N 3.44Å; Y482-R492 WeakPolarHBondContact CE2-O 3.35Å; Y482-T493 VanDerWaalsContact CD2-C 3.46Å; Y482-Q494 HydrophobicContact CD1-CB 4.08Å; Y482-Q494 HydrophobicContact CE1-CB 3.9Å
483	Q	89.8	Confident	85.8	Confident	102 Å²	102	74.9 Å²	74.9	48%	0.477	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.5	-178	-166.9	172.2	27.6	0	0	112.3	G488 T490	Q483-G488 WeakPolarHBondContact CG-O 3.5Å; Q483-G488 PolarHBondContact NE2-O 3.17Å; Q483-T490 HydrophobicContact CB-CG2 4.25Å; Q483-T490 HydrophobicContact CG-CG2 3.97Å
484	C	90.8	Very high	85.8	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.394	C	S	.	.			trans	-87.3	107.7	172.1	-178.4	0	0	0	0	110.3	L486 C487 G488 K489 F491 L497 H501 H504	C484-L486 PolarHBondContact O-N 3.02Å; C484-C487 PolarHBondContact O-N 2.98Å; C484-C487 VanDerWaalsContact O-N 3.16Å; C484-G488 WeakPolarHBondContact O-CA 3.45Å; C484-G488 PolarHBondContact O-N 3.49Å; C484-K489 WeakPolarHBondContact CB-O 3.22Å; C484-K489 PolarHBondContact N-O 3.09Å; C484-F491 HydrophobicContact CB-CE2 4.35Å; C484-L497 HydrophobicContact CB-CD1 3.67Å; C484-H501 PolarHBondContact SG-CD2 3.37Å; C484-H501 PolarHBondContact SG-NE2 3.44Å; C484-H504 PolarHBondContact SG-NE2 2.85Å
485	H	86	Confident	85.7	Confident	173 Å²	173	75.6 Å²	75.6	80%	0.801	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33	179.3	-54.3	-72.4	0	0	0	112.9	C487	H485-C487 VanDerWaalsContact C-N 3.35Å; H485-C487 PolarHBondContact O-N 2.75Å
486	L	84.4	Confident	85.8	Confident	122 Å²	122	73.9 Å²	73.9	64%	0.639	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.3	-178.6	-61.1	176.1	0	0	0	115.1	C484 H504	C484-L486 PolarHBondContact O-N 3.02Å; L486-H504 HydrophobicContact CD1-CB 3.67Å
487	C	86.7	Confident	85.9	Confident	50 Å²	50	70.4 Å²	70.4	34%	0.338	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	20.2	178.9	71.8	0	0	0	0	115.9	C484 H485 K489 H500 H504	C484-C487 PolarHBondContact O-N 2.98Å; C484-C487 VanDerWaalsContact O-N 3.16Å; H485-C487 VanDerWaalsContact C-N 3.35Å; H485-C487 PolarHBondContact O-N 2.75Å; C487-K489 PolarHBondContact O-N 3.18Å; C487-K489 VanDerWaalsContact SG-CD 3.56Å; C487-H500 PolarHBondContact SG-NE2 3.09Å; C487-H504 PolarHBondContact SG-CE1 2.95Å; C487-H504 PolarHBondContact SG-NE2 3.2Å; C487-H504 VanDerWaalsContact SG-NE2 3.36Å
488	G	84.4	Confident	86.1	Confident	40 Å²	40	70.4 Å²	70.4	41%	0.412	38%	0.376	S	S	.	.			trans	66.6	-8.9	177.3	0	0	0	0	0	116.9	Q483 C484 T490	Q483-G488 WeakPolarHBondContact CG-O 3.5Å; Q483-G488 PolarHBondContact NE2-O 3.17Å; C484-G488 WeakPolarHBondContact O-CA 3.45Å; C484-G488 PolarHBondContact O-N 3.49Å; G488-T490 PolarHBondContact O-N 3.38Å
489	K	87.3	Confident	86.2	Confident	114 Å²	114	73.2 Å²	73.2	50%	0.496	38%	0.376	S	S	.	.			trans	-65.7	131.2	-173.9	-70.4	173.4	-165.2	146.1	0	111.9	C484 C487 F491	C484-K489 WeakPolarHBondContact CB-O 3.22Å; C484-K489 PolarHBondContact N-O 3.09Å; C487-K489 PolarHBondContact O-N 3.18Å; C487-K489 VanDerWaalsContact SG-CD 3.56Å; K489-F491 HydrophobicContact CB-CE2 3.67Å; K489-F491 HydrophobicContact CB-CZ 4.15Å; K489-F491 WeakPolarHBondContact O-CD2 3.46Å; K489-F491 VanDerWaalsContact O-CE2 3.29Å; K489-F491 WeakPolarHBondContact O-CE2 3.24Å
490	T	87.6	Confident	86.3	Confident	51 Å²	51	69.6 Å²	69.6	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.1	-177.5	60.2	0	0	0	0	112.8	R480 Y482 Q483 G488	R480-T490 VanDerWaalsContact CZ-O 3.24Å; R480-T490 PolarHBondContact NE-O 2.98Å; R480-T490 PolarHBondContact NE-OG1 2.97Å; R480-T490 PolarHBondContact NH2-O 3.09Å; R480-T490 WeakPolarHBondContact O-CB 3.4Å; Y482-T490 CarbonylContact O-C 2.94Å; Y482-T490 WeakPolarHBondContact O-CA 3.45Å; Q483-T490 HydrophobicContact CB-CG2 4.25Å; Q483-T490 HydrophobicContact CG-CG2 3.97Å; G488-T490 PolarHBondContact O-N 3.38Å
491	F	87.4	Confident	86.3	Confident	38 Å²	38	65.9 Å²	65.9	17%	0.167	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.5	-170.9	-67.4	-91.2	0	0	0	111.9	R480 Y482 C484 K489 L497 H500	R480-F491 CarbonylContact C-O 3.4Å; R480-F491 WeakPolarHBondContact CA-O 3.33Å; Y482-F491 PolarHBondContact N-O 3.48Å; Y482-F491 VanDerWaalsContact N-O 3.12Å; Y482-F491 WeakPolarHBondContact O-CB 3.44Å; Y482-F491 PolarHBondContact O-N 3.44Å; C484-F491 HydrophobicContact CB-CE2 4.35Å; K489-F491 HydrophobicContact CB-CE2 3.67Å; K489-F491 HydrophobicContact CB-CZ 4.15Å; K489-F491 WeakPolarHBondContact O-CD2 3.46Å; K489-F491 VanDerWaalsContact O-CE2 3.29Å; K489-F491 WeakPolarHBondContact O-CE2 3.24Å; F491-L497 HydrophobicContact CB-CB 4.33Å; F491-L497 HydrophobicContact CD2-CB 4.45Å; F491-L497 HydrophobicContact CD2-CD1 3.55Å; F491-L497 HydrophobicContact CE2-CD1 4.05Å; F491-L497 HydrophobicContact CG-CB 4.44Å; F491-L497 HydrophobicContact CG-CD1 4.33Å; F491-H500 HydrophobicContact CE1-CB 3.95Å; F491-H500 HydrophobicContact CE2-CB 4.12Å; F491-H500 AromaticContact CE2-CD2 3.29Å; F491-H500 WeakPolarHBondContact CE2-CD2 3.42Å; F491-H500 AromaticContact CE2-CG 3.88Å; F491-H500 HydrophobicContact CZ-CB 3.56Å; F491-H500 AromaticContact CZ-CD2 3.28Å; F491-H500 WeakPolarHBondContact CZ-CD2 3.48Å; F491-H500 AromaticContact CZ-CG 3.4Å; F491-H500 VanDerWaalsContact CZ-CG 3.4Å
492	R	84.8	Confident	86.4	Confident	65 Å²	65	65 Å²	65	25%	0.245	33%	0.334	C	S	.	.	S	Bend	trans	-87.9	-20.3	-173.9	-173.4	159.4	-70.9	139.6	-2.6	114.2	R474 G478 E479 Y482	R474-R492 VanDerWaalsContact C-NE 3.31Å; R474-R492 HydrophobicContact CB-CG 3.81Å; R474-R492 PolarHBondContact NH1-O 3.35Å; R474-R492 PolarHBondContact O-NE 3.26Å; R474-R492 PolarHBondContact O-NH2 3.04Å; G478-R492 PolarHBondContact O-NH2 3.46Å; E479-R492 PolarHBondContact O-NE 3Å; E479-R492 PolarHBondContact O-NH2 3.12Å; Y482-R492 WeakPolarHBondContact CE2-O 3.35Å
493	T	86	Confident	86.1	Confident	40 Å²	40	65.4 Å²	65.4	25%	0.245	34%	0.344	C	S	.	.	S	Bend	trans	-142.3	143.5	178.9	61.7	0	0	0	0	110.7	M471 Y482 A495 S496 L497	M471-T493 HydrophobicContact CG-CG2 3.97Å; M471-T493 HydrophobicContact SD-CG2 3.57Å; M471-T493 VanDerWaalsContact SD-CG2 3.57Å; Y482-T493 VanDerWaalsContact CD2-C 3.46Å; T493-A495 VanDerWaalsContact C-N 3.29Å; T493-A495 PolarHBondContact O-N 3.21Å; T493-S496 PolarHBondContact O-N 3.48Å; T493-S496 PolarHBondContact O-OG 3.25Å; T493-S496 PolarHBondContact OG1-OG 3.49Å; T493-L497 PolarHBondContact O-N 3.45Å
494	Q	86.3	Confident	85.8	Confident	83 Å²	83	64 Å²	64	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-51.8	-47.3	175.7	-174.3	62.8	32.5	0	0	111.7	Y482 S496 L497 D498	Y482-Q494 HydrophobicContact CD1-CB 4.08Å; Y482-Q494 HydrophobicContact CE1-CB 3.9Å; Q494-S496 PolarHBondContact O-N 3.45Å; Q494-L497 CarbonylContact O-C 3.52Å; Q494-L497 WeakPolarHBondContact O-CA 3.34Å; Q494-L497 VanDerWaalsContact O-CB 3.25Å; Q494-L497 WeakPolarHBondContact O-CB 3.39Å; Q494-L497 PolarHBondContact O-N 3.49Å; Q494-D498 PolarHBondContact NE2-OD1 3.09Å; Q494-D498 PolarHBondContact O-N 3.09Å
495	A	85.8	Confident	85.3	Confident	62 Å²	62	68 Å²	68	51%	0.512	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-15.9	177.8	0	0	0	0	0	115.1	T493 D498 K499	T493-A495 VanDerWaalsContact C-N 3.29Å; T493-A495 PolarHBondContact O-N 3.21Å; A495-D498 WeakPolarHBondContact CA-OD2 3.46Å; A495-D498 PolarHBondContact N-OD2 3.1Å; A495-K499 VanDerWaalsContact O-CD 3.24Å; A495-K499 WeakPolarHBondContact O-CD 3.37Å; A495-K499 WeakPolarHBondContact O-CG 3.4Å
496	S	85.9	Confident	84.9	Confident	36 Å²	36	61.9 Å²	61.9	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-92.4	-25.6	170	65.3	0	0	0	0	113.5	T493 Q494 H500	T493-S496 PolarHBondContact O-N 3.48Å; T493-S496 PolarHBondContact O-OG 3.25Å; T493-S496 PolarHBondContact OG1-OG 3.49Å; Q494-S496 PolarHBondContact O-N 3.45Å; S496-H500 PolarHBondContact O-N 2.81Å
497	L	88.6	Confident	84.7	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-68.4	-49.5	167.7	-175.3	69.1	0	0	0	110.8	C484 F491 T493 Q494 K499 H500 H501	C484-L497 HydrophobicContact CB-CD1 3.67Å; F491-L497 HydrophobicContact CB-CB 4.33Å; F491-L497 HydrophobicContact CD2-CB 4.45Å; F491-L497 HydrophobicContact CD2-CD1 3.55Å; F491-L497 HydrophobicContact CE2-CD1 4.05Å; F491-L497 HydrophobicContact CG-CB 4.44Å; F491-L497 HydrophobicContact CG-CD1 4.33Å; T493-L497 PolarHBondContact O-N 3.45Å; Q494-L497 CarbonylContact O-C 3.52Å; Q494-L497 WeakPolarHBondContact O-CA 3.34Å; Q494-L497 VanDerWaalsContact O-CB 3.25Å; Q494-L497 WeakPolarHBondContact O-CB 3.39Å; Q494-L497 PolarHBondContact O-N 3.49Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 3.26Å; L497-H500 CarbonylContact O-C 3.59Å; L497-H500 WeakPolarHBondContact O-CA 3.47Å; L497-H500 WeakPolarHBondContact O-CB 3.24Å; L497-H500 PolarHBondContact O-N 3.22Å; L497-H501 VanDerWaalsContact CD1-NE2 3.34Å; L497-H501 WeakPolarHBondContact CD1-NE2 3.29Å; L497-H501 WeakPolarHBondContact CG-NE2 3.35Å; L497-H501 PolarHBondContact O-CD2 3.33Å; L497-H501 PolarHBondContact O-N 3.45Å
498	D	85.4	Confident	84.2	Confident	69 Å²	69	64.9 Å²	64.9	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-57.2	-44	-179.8	-49.1	-37.1	0	0	0	111.7	Q494 A495 H500 H501 R502	Q494-D498 PolarHBondContact NE2-OD1 3.09Å; Q494-D498 PolarHBondContact O-N 3.09Å; A495-D498 WeakPolarHBondContact CA-OD2 3.46Å; A495-D498 PolarHBondContact N-OD2 3.1Å; D498-H500 VanDerWaalsContact C-N 3.27Å; D498-H500 PolarHBondContact O-N 3.04Å; D498-H501 PolarHBondContact O-N 2.93Å; D498-R502 PolarHBondContact O-N 2.76Å
499	K	83.8	Confident	84	Confident	100 Å²	100	65.8 Å²	65.8	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-33.7	173.9	-77.7	174.7	167.6	-155.2	0	113.1	A495 L497 E521	A495-K499 VanDerWaalsContact O-CD 3.24Å; A495-K499 WeakPolarHBondContact O-CD 3.37Å; A495-K499 WeakPolarHBondContact O-CG 3.4Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 3.26Å; K499-E521 VanDerWaalsContact CD-OE1 3.25Å; K499-E521 WeakPolarHBondContact CD-OE1 3.44Å; K499-E521 WeakPolarHBondContact CE-OE1 3.44Å; K499-E521 IonicContact NZ-OE1 3.44Å; K499-E521 PolarHBondContact NZ-OE1 2.9Å
500	H	86.4	Confident	83.6	Confident	23 Å²	23	64.1 Å²	64.1	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-77.1	-34.6	176.2	174.3	42.6	0	0	0	111.8	C487 F491 S496 L497 D498 R502 T503 H504	C487-H500 PolarHBondContact SG-NE2 3.09Å; F491-H500 HydrophobicContact CE1-CB 3.95Å; F491-H500 HydrophobicContact CE2-CB 4.12Å; F491-H500 AromaticContact CE2-CD2 3.29Å; F491-H500 WeakPolarHBondContact CE2-CD2 3.42Å; F491-H500 AromaticContact CE2-CG 3.88Å; F491-H500 HydrophobicContact CZ-CB 3.56Å; F491-H500 AromaticContact CZ-CD2 3.28Å; F491-H500 WeakPolarHBondContact CZ-CD2 3.48Å; F491-H500 AromaticContact CZ-CG 3.4Å; F491-H500 VanDerWaalsContact CZ-CG 3.4Å; S496-H500 PolarHBondContact O-N 2.81Å; L497-H500 CarbonylContact O-C 3.59Å; L497-H500 WeakPolarHBondContact O-CA 3.47Å; L497-H500 WeakPolarHBondContact O-CB 3.24Å; L497-H500 PolarHBondContact O-N 3.22Å; D498-H500 VanDerWaalsContact C-N 3.27Å; D498-H500 PolarHBondContact O-N 3.04Å; H500-R502 PolarHBondContact O-N 2.83Å; H500-T503 PolarHBondContact CE1-OG1 3.29Å; H500-T503 PolarHBondContact ND1-OG1 3.37Å; H500-T503 WeakPolarHBondContact O-CA 3.48Å; H500-T503 WeakPolarHBondContact O-CB 3.28Å; H500-T503 PolarHBondContact O-N 3.06Å; H500-T503 PolarHBondContact O-OG1 3.33Å; H500-H504 AromaticContact CE1-CE1 3.74Å; H500-H504 AromaticContact CE1-NE2 3.29Å; H500-H504 PolarHBondContact CE1-NE2 3.05Å; H500-H504 VanDerWaalsContact CE1-NE2 3.29Å; H500-H504 AromaticContact NE2-CE1 3.88Å; H500-H504 AromaticContact NE2-NE2 3.14Å; H500-H504 PolarHBondContact NE2-NE2 2.85Å; H500-H504 VanDerWaalsContact NE2-NE2 3.14Å
501	H	84.9	Confident	83.1	Confident	53 Å²	53	62.6 Å²	62.6	25%	0.245	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-35.4	176.9	-71.6	-169.3	0	0	0	112.1	C484 L497 D498 T503 H504 T505	C484-H501 PolarHBondContact SG-CD2 3.37Å; C484-H501 PolarHBondContact SG-NE2 3.44Å; L497-H501 VanDerWaalsContact CD1-NE2 3.34Å; L497-H501 WeakPolarHBondContact CD1-NE2 3.29Å; L497-H501 WeakPolarHBondContact CG-NE2 3.35Å; L497-H501 PolarHBondContact O-CD2 3.33Å; L497-H501 PolarHBondContact O-N 3.45Å; D498-H501 PolarHBondContact O-N 2.93Å; H501-T503 PolarHBondContact O-N 2.97Å; H501-H504 PolarHBondContact O-N 3.49Å; H501-T505 PolarHBondContact O-N 3.36Å; H501-T505 VanDerWaalsContact O-N 3.09Å
502	R	84.6	Confident	82.4	Confident	63 Å²	63	61.4 Å²	61.4	24%	0.238	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.9	169.7	-62.5	-177.1	-176.1	163.4	3	115.5	D498 H500 G506 E507 T520	D498-R502 PolarHBondContact O-N 2.76Å; H500-R502 PolarHBondContact O-N 2.83Å; R502-G506 CarbonylContact O-C 3.43Å; R502-G506 PolarHBondContact O-N 3.37Å; R502-E507 HydrophobicContact CB-CB 4.13Å; R502-E507 HydrophobicContact CG-CB 3.99Å; R502-E507 PolarHBondContact O-N 3.33Å; R502-T520 HydrophobicContact CB-CG2 4.32Å; R502-T520 PolarHBondContact NH1-O 2.97Å
503	T	81.6	Confident	82.1	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.503	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.8	172.9	68.1	0	0	0	0	113.2	H500 H501	H500-T503 PolarHBondContact CE1-OG1 3.29Å; H500-T503 PolarHBondContact ND1-OG1 3.37Å; H500-T503 WeakPolarHBondContact O-CA 3.48Å; H500-T503 WeakPolarHBondContact O-CB 3.28Å; H500-T503 PolarHBondContact O-N 3.06Å; H500-T503 PolarHBondContact O-OG1 3.33Å; H501-T503 PolarHBondContact O-N 2.97Å
504	H	82.8	Confident	81.3	Confident	73 Å²	73	67.5 Å²	67.5	34%	0.338	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-45.9	170.3	-57.7	-60.7	0	0	0	111.4	C484 L486 C487 H500 H501 G506	C484-H504 PolarHBondContact SG-NE2 2.85Å; L486-H504 HydrophobicContact CD1-CB 3.67Å; C487-H504 PolarHBondContact SG-CE1 2.95Å; C487-H504 PolarHBondContact SG-NE2 3.2Å; C487-H504 VanDerWaalsContact SG-NE2 3.36Å; H500-H504 AromaticContact CE1-CE1 3.74Å; H500-H504 AromaticContact CE1-NE2 3.29Å; H500-H504 PolarHBondContact CE1-NE2 3.05Å; H500-H504 VanDerWaalsContact CE1-NE2 3.29Å; H500-H504 AromaticContact NE2-CE1 3.88Å; H500-H504 AromaticContact NE2-NE2 3.14Å; H500-H504 PolarHBondContact NE2-NE2 2.85Å; H500-H504 VanDerWaalsContact NE2-NE2 3.14Å; H501-H504 PolarHBondContact O-N 3.49Å; H504-G506 PolarHBondContact O-N 2.98Å
505	T	80.8	Confident	80.7	Confident	82 Å²	82	65.3 Å²	65.3	50%	0.503	35%	0.354	S	S	.	.	S	Bend	trans	-74.1	-8.4	177.4	62	0	0	0	0	113.7	H501 E507	H501-T505 PolarHBondContact O-N 3.36Å; H501-T505 VanDerWaalsContact O-N 3.09Å; T505-E507 WeakPolarHBondContact CB-OE1 3.26Å; T505-E507 PolarHBondContact O-N 3.06Å; T505-E507 VanDerWaalsContact O-N 3.13Å; T505-E507 VanDerWaalsContact OG1-CD 3.28Å; T505-E507 WeakPolarHBondContact OG1-CG 3.46Å; T505-E507 PolarHBondContact OG1-OE1 3.29Å
506	G	77.7	Confident	79.9	Confident	46 Å²	46	69.8 Å²	69.8	47%	0.474	37%	0.37	S	S	.	.			trans	71.2	-2	-177.2	0	0	0	0	0	114.9	R502 H504 R508	R502-G506 CarbonylContact O-C 3.43Å; R502-G506 PolarHBondContact O-N 3.37Å; H504-G506 PolarHBondContact O-N 2.98Å; G506-R508 WeakPolarHBondContact O-CG 3.22Å; G506-R508 PolarHBondContact O-N 2.75Å; G506-R508 VanDerWaalsContact O-N 3.15Å
507	E	79.4	Confident	78.6	Confident	97 Å²	97	76.2 Å²	76.2	45%	0.453	39%	0.388	S	S	.	.			trans	-51.7	113.9	-175.1	-84.2	168.3	-113.9	0	0	113.7	R502 T505 P509 T520	R502-E507 HydrophobicContact CB-CB 4.13Å; R502-E507 HydrophobicContact CG-CB 3.99Å; R502-E507 PolarHBondContact O-N 3.33Å; T505-E507 WeakPolarHBondContact CB-OE1 3.26Å; T505-E507 PolarHBondContact O-N 3.06Å; T505-E507 VanDerWaalsContact O-N 3.13Å; T505-E507 VanDerWaalsContact OG1-CD 3.28Å; T505-E507 WeakPolarHBondContact OG1-CG 3.46Å; T505-E507 PolarHBondContact OG1-OE1 3.29Å; E507-P509 WeakPolarHBondContact O-CD 3.23Å; E507-T520 WeakPolarHBondContact O-CG2 3.41Å
508	R	77	Confident	77.8	Confident	137 Å²	137	82.3 Å²	82.3	52%	0.517	41%	0.411	S	S	.	.			trans	-116.4	74.9	174.5	-72	164.1	172.5	-133.2	16.6	110.5	G506 Y510 R518 F519 T520	G506-R508 WeakPolarHBondContact O-CG 3.22Å; G506-R508 PolarHBondContact O-N 2.75Å; G506-R508 VanDerWaalsContact O-N 3.15Å; R508-Y510 PolarHBondContact O-N 3.05Å; R508-R518 HydrophobicContact CB-CB 3.52Å; R508-R518 VanDerWaalsContact CD-O 3.3Å; R508-R518 WeakPolarHBondContact CD-O 3.4Å; R508-R518 HydrophobicContact CG-CB 4.44Å; R508-R518 PolarHBondContact NH1-O 2.83Å; R508-R518 PolarHBondContact O-NE 3.26Å; R508-R518 PolarHBondContact O-NH2 2.77Å; R508-F519 CarbonylContact C-O 3.47Å; R508-F519 VanDerWaalsContact CA-O 3.3Å; R508-F519 WeakPolarHBondContact CA-O 3.3Å; R508-T520 HydrophobicContact CG-CG2 4.16Å
509	P	80.5	Confident	77.3	Confident	60 Å²	60	80.3 Å²	80.3	39%	0.39	40%	0.399	S	S	.	.			trans	-68.6	-20.9	-176.4	27	-34.7	0	0	0	113.3	E507 G511	E507-P509 WeakPolarHBondContact O-CD 3.23Å; P509-G511 PolarHBondContact O-N 2.89Å
510	Y	77.9	Confident	76.9	Confident	79 Å²	79	77.5 Å²	77.5	31%	0.31	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	89.3	-177.8	-51.6	-68.9	0	0	0	110.7	R508 R518 F519 T520 K522	R508-Y510 PolarHBondContact O-N 3.05Å; Y510-R518 CarbonylContact O-C 3.53Å; Y510-R518 WeakPolarHBondContact O-CA 3.49Å; Y510-F519 PolarHBondContact N-O 2.99Å; Y510-F519 VanDerWaalsContact N-O 3.15Å; Y510-F519 PolarHBondContact O-N 3.32Å; Y510-T520 WeakPolarHBondContact CE2-O 3.3Å; Y510-K522 HydrophobicContact CD1-CB 4.08Å; Y510-K522 HydrophobicContact CD2-CB 4.5Å; Y510-K522 HydrophobicContact CE1-CB 4.07Å; Y510-K522 HydrophobicContact CE2-CB 4.46Å; Y510-K522 HydrophobicContact CG-CB 4.31Å
511	G	76.9	Confident	76.5	Confident	19 Å²	19	79.5 Å²	79.5	20%	0.196	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	164.6	168.7	0	0	0	0	0	112.6	P509 L525	P509-G511 PolarHBondContact O-N 2.89Å; G511-L525 VanDerWaalsContact O-CD1 3.25Å; G511-L525 WeakPolarHBondContact O-CD1 3.5Å; G511-L525 WeakPolarHBondContact O-CD2 3.36Å
512	C	73	Confident	76.2	Confident	12 Å²	12	83.1 Å²	83.1	8%	0.081	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.8	167	-175	0	0	0	0	109.7	I514 C515 W517 F519 L525 H528 H533	C512-I514 PolarHBondContact O-N 3.27Å; C512-C515 WeakPolarHBondContact CB-O 3.48Å; C512-C515 CarbonylContact O-C 3.44Å; C512-C515 PolarHBondContact O-N 2.92Å; C512-W517 PolarHBondContact N-O 2.86Å; C512-F519 HydrophobicContact CB-CE2 4.49Å; C512-L525 HydrophobicContact CB-CD1 3.51Å; C512-H528 VanDerWaalsContact SG-CD2 3.55Å; C512-H533 VanDerWaalsContact SG-CD2 3.59Å; C512-H533 PolarHBondContact SG-NE2 3.42Å
513	D	78.2	Confident	75.8	Confident	134 Å²	134	82.1 Å²	82.1	72%	0.717	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	12.4	-173.4	-27.9	-55.4	0	0	0	113.6	K529	D513-K529 IonicContact OD2-NZ 3.55Å; D513-K529 PolarHBondContact OD2-NZ 3.3Å
514	I	70.8	Confident	75.5	Confident	100 Å²	100	78.9 Å²	78.9	51%	0.513	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-11.8	-175.3	-41.9	174.2	0	0	0	110.9	C512 H533	C512-I514 PolarHBondContact O-N 3.27Å; I514-H533 HydrophobicContact CD1-CB 3.71Å; I514-H533 HydrophobicContact CG2-CB 4.26Å; I514-H533 WeakPolarHBondContact CG2-ND1 3.4Å; I514-H533 PolarHBondContact O-CE1 2.92Å; I514-H533 VanDerWaalsContact O-CE1 3.22Å
515	C	71.9	Confident	75.2	Confident	36 Å²	36	76.3 Å²	76.3	24%	0.243	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	158	165.8	69.9	0	0	0	0	111.2	C512 W517 H528 H533	C512-C515 WeakPolarHBondContact CB-O 3.48Å; C512-C515 CarbonylContact O-C 3.44Å; C512-C515 PolarHBondContact O-N 2.92Å; C515-W517 PolarHBondContact O-N 2.82Å; C515-H528 PolarHBondContact SG-NE2 3.33Å; C515-H528 VanDerWaalsContact SG-NE2 3.38Å; C515-H533 WeakPolarHBondContact CB-CE1 3.2Å; C515-H533 PolarHBondContact SG-CE1 3.31Å; C515-H533 PolarHBondContact SG-NE2 2.9Å
516	D	69.8	Low	75	Confident	157 Å²	157	77.2 Å²	77.2	84%	0.84	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	9.1	-168.9	-44.3	-76	0	0	0	115.9	R518	D516-R518 PolarHBondContact O-N 3.45Å; D516-R518 VanDerWaalsContact O-N 3.13Å
517	W	57.6	Low	74.4	Confident	170 Å²	170	81.3 Å²	81.3	64%	0.644	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	106.4	174.6	-93.7	38	0	0	0	111.6	C512 C515 F519	C512-W517 PolarHBondContact N-O 2.86Å; C515-W517 PolarHBondContact O-N 2.82Å; W517-F519 HydrophobicContact CB-CE2 4.14Å; W517-F519 HydrophobicContact CB-CZ 4.03Å; W517-F519 HydrophobicContact CE3-CE1 4.1Å; W517-F519 AromaticContact CE3-CZ 3.88Å; W517-F519 HydrophobicContact CE3-CZ 3.88Å; W517-F519 WeakPolarHBondContact O-CD2 3.42Å; W517-F519 WeakPolarHBondContact O-CE2 3.41Å
518	R	72.7	Confident	74	Confident	136 Å²	136	77.4 Å²	77.4	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.5	174.2	-47	-176.4	66.3	114.8	0.1	112.2	R508 Y510 D516	R508-R518 HydrophobicContact CB-CB 3.52Å; R508-R518 VanDerWaalsContact CD-O 3.3Å; R508-R518 WeakPolarHBondContact CD-O 3.4Å; R508-R518 HydrophobicContact CG-CB 4.44Å; R508-R518 PolarHBondContact NH1-O 2.83Å; R508-R518 PolarHBondContact O-NE 3.26Å; R508-R518 PolarHBondContact O-NH2 2.77Å; Y510-R518 CarbonylContact O-C 3.53Å; Y510-R518 WeakPolarHBondContact O-CA 3.49Å; D516-R518 PolarHBondContact O-N 3.45Å; D516-R518 VanDerWaalsContact O-N 3.13Å
519	F	75.7	Confident	73.6	Confident	28 Å²	28	72.9 Å²	72.9	12%	0.123	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.4	-174.9	-57.2	-87	0	0	0	113.4	R508 Y510 C512 W517 A524 L525 H528	R508-F519 CarbonylContact C-O 3.47Å; R508-F519 VanDerWaalsContact CA-O 3.3Å; R508-F519 WeakPolarHBondContact CA-O 3.3Å; Y510-F519 PolarHBondContact N-O 2.99Å; Y510-F519 VanDerWaalsContact N-O 3.15Å; Y510-F519 PolarHBondContact O-N 3.32Å; C512-F519 HydrophobicContact CB-CE2 4.49Å; W517-F519 HydrophobicContact CB-CE2 4.14Å; W517-F519 HydrophobicContact CB-CZ 4.03Å; W517-F519 HydrophobicContact CE3-CE1 4.1Å; W517-F519 AromaticContact CE3-CZ 3.88Å; W517-F519 HydrophobicContact CE3-CZ 3.88Å; W517-F519 WeakPolarHBondContact O-CD2 3.42Å; W517-F519 WeakPolarHBondContact O-CE2 3.41Å; F519-A524 HydrophobicContact CB-CB 4.2Å; F519-A524 HydrophobicContact CD1-CB 3.86Å; F519-A524 HydrophobicContact CG-CB 4.24Å; F519-L525 HydrophobicContact CB-CB 4.46Å; F519-L525 HydrophobicContact CD2-CB 3.76Å; F519-L525 HydrophobicContact CD2-CD1 3.87Å; F519-L525 HydrophobicContact CD2-CG 4.43Å; F519-L525 HydrophobicContact CE2-CB 4.39Å; F519-L525 HydrophobicContact CE2-CD1 3.91Å; F519-L525 HydrophobicContact CG-CB 4.28Å; F519-H528 HydrophobicContact CE1-CB 4.04Å; F519-H528 HydrophobicContact CE2-CB 3.83Å; F519-H528 AromaticContact CE2-CD2 3.66Å; F519-H528 AromaticContact CE2-CG 3.71Å; F519-H528 HydrophobicContact CZ-CB 3.35Å; F519-H528 AromaticContact CZ-CD2 3.73Å; F519-H528 AromaticContact CZ-CG 3.3Å; F519-H528 AromaticContact CZ-ND1 3.66Å
520	T	75.6	Confident	73	Confident	41 Å²	41	71.2 Å²	71.2	25%	0.252	35%	0.354	S	S	.	.	S	Bend	trans	-75.2	-22	173.6	54.1	0	0	0	0	113.1	R502 E507 R508 Y510	R502-T520 HydrophobicContact CB-CG2 4.32Å; R502-T520 PolarHBondContact NH1-O 2.97Å; E507-T520 WeakPolarHBondContact O-CG2 3.41Å; R508-T520 HydrophobicContact CG-CG2 4.16Å; Y510-T520 WeakPolarHBondContact CE2-O 3.3Å
521	E	77.4	Confident	72.4	Confident	65 Å²	65	68.3 Å²	68.3	30%	0.304	35%	0.345	S	S	.	.	S	Bend	trans	-132.9	137.5	-178.9	-64.4	-162.1	131.1	0	0	113.7	K499 G523 A524 L525	K499-E521 VanDerWaalsContact CD-OE1 3.25Å; K499-E521 WeakPolarHBondContact CD-OE1 3.44Å; K499-E521 WeakPolarHBondContact CE-OE1 3.44Å; K499-E521 IonicContact NZ-OE1 3.44Å; K499-E521 PolarHBondContact NZ-OE1 2.9Å; E521-G523 PolarHBondContact O-N 2.96Å; E521-A524 HydrophobicContact CB-CB 4.29Å; E521-A524 WeakPolarHBondContact O-CB 3.5Å; E521-A524 PolarHBondContact O-N 3.48Å; E521-L525 PolarHBondContact O-N 3.2Å
522	K	78.3	Confident	71.7	Confident	128 Å²	128	74.1 Å²	74.1	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-57.4	-33.5	172.1	-173.6	171.3	-178	172.5	0	113	Y510 A524 L525 L526	Y510-K522 HydrophobicContact CD1-CB 4.08Å; Y510-K522 HydrophobicContact CD2-CB 4.5Å; Y510-K522 HydrophobicContact CE1-CB 4.07Å; Y510-K522 HydrophobicContact CE2-CB 4.46Å; Y510-K522 HydrophobicContact CG-CB 4.31Å; K522-A524 VanDerWaalsContact C-N 3.31Å; K522-A524 PolarHBondContact O-N 3.01Å; K522-L525 PolarHBondContact O-N 3.14Å; K522-L526 HydrophobicContact CG-CD1 4.29Å; K522-L526 HydrophobicContact CG-CG 4.39Å; K522-L526 WeakPolarHBondContact O-CG 3.39Å; K522-L526 PolarHBondContact O-N 3.28Å
523	G	75.4	Confident	71.4	Confident	42 Å²	42	76.9 Å²	76.9	43%	0.433	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-25.6	175.9	0	0	0	0	0	114.1	E521 R527	E521-G523 PolarHBondContact O-N 2.96Å; G523-R527 WeakPolarHBondContact O-CB 3.49Å; G523-R527 PolarHBondContact O-N 2.93Å
524	A	75.6	Confident	70.7	Confident	15 Å²	15	76 Å²	76	12%	0.124	37%	0.368	C	S	.	.	H	α-helix	trans	-77.3	-40.6	171.8	0	0	0	0	0	111.2	F519 E521 K522 R527 H528	F519-A524 HydrophobicContact CB-CB 4.2Å; F519-A524 HydrophobicContact CD1-CB 3.86Å; F519-A524 HydrophobicContact CG-CB 4.24Å; E521-A524 HydrophobicContact CB-CB 4.29Å; E521-A524 WeakPolarHBondContact O-CB 3.5Å; E521-A524 PolarHBondContact O-N 3.48Å; K522-A524 VanDerWaalsContact C-N 3.31Å; K522-A524 PolarHBondContact O-N 3.01Å; A524-R527 PolarHBondContact O-N 3.36Å; A524-H528 WeakPolarHBondContact O-CB 3.43Å; A524-H528 PolarHBondContact O-N 3.21Å
525	L	77.1	Confident	69.9	Low	19 Å²	19	80.3 Å²	80.3	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-50.4	172.4	170.7	62.4	0	0	0	112.3	G511 C512 F519 E521 K522 R527 H528 K529	G511-L525 VanDerWaalsContact O-CD1 3.25Å; G511-L525 WeakPolarHBondContact O-CD1 3.5Å; G511-L525 WeakPolarHBondContact O-CD2 3.36Å; C512-L525 HydrophobicContact CB-CD1 3.51Å; F519-L525 HydrophobicContact CB-CB 4.46Å; F519-L525 HydrophobicContact CD2-CB 3.76Å; F519-L525 HydrophobicContact CD2-CD1 3.87Å; F519-L525 HydrophobicContact CD2-CG 4.43Å; F519-L525 HydrophobicContact CE2-CB 4.39Å; F519-L525 HydrophobicContact CE2-CD1 3.91Å; F519-L525 HydrophobicContact CG-CB 4.28Å; E521-L525 PolarHBondContact O-N 3.2Å; K522-L525 PolarHBondContact O-N 3.14Å; L525-R527 VanDerWaalsContact C-N 3.34Å; L525-R527 PolarHBondContact O-N 3.24Å; L525-H528 WeakPolarHBondContact O-CA 3.43Å; L525-H528 WeakPolarHBondContact O-CB 3.31Å; L525-H528 PolarHBondContact O-N 2.81Å; L525-K529 HydrophobicContact CD1-CG 4.25Å; L525-K529 PolarHBondContact O-N 2.68Å
526	L	75.6	Confident	69.1	Low	100 Å²	100	81.4 Å²	81.4	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-45.8	179.8	-74.5	173.4	0	0	0	111.6	K522 H528 K529 A530	K522-L526 HydrophobicContact CG-CD1 4.29Å; K522-L526 HydrophobicContact CG-CG 4.39Å; K522-L526 WeakPolarHBondContact O-CG 3.39Å; K522-L526 PolarHBondContact O-N 3.28Å; L526-H528 VanDerWaalsContact C-N 3.27Å; L526-H528 PolarHBondContact O-N 3.44Å; L526-K529 PolarHBondContact O-N 3.1Å; L526-A530 VanDerWaalsContact O-CB 3.3Å; L526-A530 WeakPolarHBondContact O-CB 3.32Å; L526-A530 PolarHBondContact O-N 2.89Å
527	R	66.6	Low	68.4	Low	132 Å²	132	80.7 Å²	80.7	50%	0.498	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-29.3	174.3	-179.7	175.3	59.3	-117.7	-3	113	G523 A524 L525 S531 K549	G523-R527 WeakPolarHBondContact O-CB 3.49Å; G523-R527 PolarHBondContact O-N 2.93Å; A524-R527 PolarHBondContact O-N 3.36Å; L525-R527 VanDerWaalsContact C-N 3.34Å; L525-R527 PolarHBondContact O-N 3.24Å; R527-S531 WeakPolarHBondContact O-CB 3.33Å; R527-S531 PolarHBondContact O-N 2.67Å; R527-S531 PolarHBondContact O-OG 2.81Å; R527-K549 WeakPolarHBondContact CG-O 3.11Å
528	H	70	Confident	68.4	Low	15 Å²	15	76 Å²	76	7%	0.069	38%	0.381	C	S	.	.	H	α-helix	trans	-69.7	-52.9	173.6	163.8	84.3	0	0	0	110.8	C512 C515 F519 A524 L525 L526 A530 S531 K532 H533	C512-H528 VanDerWaalsContact SG-CD2 3.55Å; C515-H528 PolarHBondContact SG-NE2 3.33Å; C515-H528 VanDerWaalsContact SG-NE2 3.38Å; F519-H528 HydrophobicContact CE1-CB 4.04Å; F519-H528 HydrophobicContact CE2-CB 3.83Å; F519-H528 AromaticContact CE2-CD2 3.66Å; F519-H528 AromaticContact CE2-CG 3.71Å; F519-H528 HydrophobicContact CZ-CB 3.35Å; F519-H528 AromaticContact CZ-CD2 3.73Å; F519-H528 AromaticContact CZ-CG 3.3Å; F519-H528 AromaticContact CZ-ND1 3.66Å; A524-H528 WeakPolarHBondContact O-CB 3.43Å; A524-H528 PolarHBondContact O-N 3.21Å; L525-H528 WeakPolarHBondContact O-CA 3.43Å; L525-H528 WeakPolarHBondContact O-CB 3.31Å; L525-H528 PolarHBondContact O-N 2.81Å; L526-H528 VanDerWaalsContact C-N 3.27Å; L526-H528 PolarHBondContact O-N 3.44Å; H528-A530 PolarHBondContact O-N 3.4Å; H528-S531 CarbonylContact O-C 3.49Å; H528-S531 PolarHBondContact O-N 3.45Å; H528-S531 PolarHBondContact O-OG 3.05Å; H528-K532 WeakPolarHBondContact O-CB 3.39Å; H528-K532 PolarHBondContact O-N 3.14Å; H528-H533 AromaticContact CD2-NE2 3.5Å; H528-H533 PolarHBondContact CD2-NE2 3.32Å; H528-H533 AromaticContact CE1-NE2 3.28Å; H528-H533 PolarHBondContact CE1-NE2 2.92Å; H528-H533 VanDerWaalsContact CE1-NE2 3.28Å; H528-H533 AromaticContact NE2-CD2 3.68Å; H528-H533 AromaticContact NE2-NE2 2.49Å; H528-H533 PolarHBondContact NE2-NE2 3.45Å
529	K	69.1	Low	67.8	Low	42 Å²	42	72 Å²	72	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-51.7	-53.7	174.6	-71.2	-165.4	173.6	-162	0	111.3	D513 L525 L526 S531 K532 H533 E534	D513-K529 IonicContact OD2-NZ 3.55Å; D513-K529 PolarHBondContact OD2-NZ 3.3Å; L525-K529 HydrophobicContact CD1-CG 4.25Å; L525-K529 PolarHBondContact O-N 2.68Å; L526-K529 PolarHBondContact O-N 3.1Å; K529-S531 PolarHBondContact O-N 2.86Å; K529-K532 PolarHBondContact O-N 3.17Å; K529-H533 PolarHBondContact O-N 2.98Å; K529-E534 PolarHBondContact O-N 3.16Å
530	A	68.2	Low	66.5	Low	26 Å²	26	74.4 Å²	74.4	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-67.6	13	176.7	0	0	0	0	0	116.2	L526 H528 E534 P538	L526-A530 VanDerWaalsContact O-CB 3.3Å; L526-A530 WeakPolarHBondContact O-CB 3.32Å; L526-A530 PolarHBondContact O-N 2.89Å; H528-A530 PolarHBondContact O-N 3.4Å; A530-E534 WeakPolarHBondContact CA-OE2 3.35Å; A530-E534 WeakPolarHBondContact CB-OE2 3.3Å; A530-E534 PolarHBondContact N-OE2 3.05Å; A530-P538 WeakPolarHBondContact O-CD 3.4Å
531	S	65.8	Low	65.6	Low	17 Å²	17	72.4 Å²	72.4	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-150.8	9.6	174.2	71.7	0	0	0	0	115.5	R527 H528 K529 K549	R527-S531 WeakPolarHBondContact O-CB 3.33Å; R527-S531 PolarHBondContact O-N 2.67Å; R527-S531 PolarHBondContact O-OG 2.81Å; H528-S531 CarbonylContact O-C 3.49Å; H528-S531 PolarHBondContact O-N 3.45Å; H528-S531 PolarHBondContact O-OG 3.05Å; K529-S531 PolarHBondContact O-N 2.86Å; S531-K549 WeakPolarHBondContact O-CE 3.11Å; S531-K549 PolarHBondContact O-NZ 3.11Å
532	K	61.3	Low	64.4	Low	141 Å²	141	74.9 Å²	74.9	61%	0.613	38%	0.382	S	S	*	.	H	α-helix	trans	-139.3	-27.8	178.9	-86.6	-63.6	-150.1	154.9	0	114.3	H528 K529	H528-K532 WeakPolarHBondContact O-CB 3.39Å; H528-K532 PolarHBondContact O-N 3.14Å; K529-K532 PolarHBondContact O-N 3.17Å
533	H	67.1	Low	62.8	Low	70 Å²	70	73.7 Å²	73.7	32%	0.324	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-34.3	-174.2	-58.2	-56.7	0	0	0	112.1	C512 I514 C515 H528 K529	C512-H533 VanDerWaalsContact SG-CD2 3.59Å; C512-H533 PolarHBondContact SG-NE2 3.42Å; I514-H533 HydrophobicContact CD1-CB 3.71Å; I514-H533 HydrophobicContact CG2-CB 4.26Å; I514-H533 WeakPolarHBondContact CG2-ND1 3.4Å; I514-H533 PolarHBondContact O-CE1 2.92Å; I514-H533 VanDerWaalsContact O-CE1 3.22Å; C515-H533 WeakPolarHBondContact CB-CE1 3.2Å; C515-H533 PolarHBondContact SG-CE1 3.31Å; C515-H533 PolarHBondContact SG-NE2 2.9Å; H528-H533 AromaticContact CD2-NE2 3.5Å; H528-H533 PolarHBondContact CD2-NE2 3.32Å; H528-H533 AromaticContact CE1-NE2 3.28Å; H528-H533 PolarHBondContact CE1-NE2 2.92Å; H528-H533 VanDerWaalsContact CE1-NE2 3.28Å; H528-H533 AromaticContact NE2-CD2 3.68Å; H528-H533 AromaticContact NE2-NE2 2.49Å; H528-H533 PolarHBondContact NE2-NE2 3.45Å; K529-H533 PolarHBondContact O-N 2.98Å
534	E	63.7	Low	61.6	Low	115 Å²	115	74.1 Å²	74.1	54%	0.537	38%	0.375	S	S	.	.	S	Bend	trans	-89.2	119.9	165.1	-63.9	160.6	177	0	0	108.5	K529 A530 G536	K529-E534 PolarHBondContact O-N 3.16Å; A530-E534 WeakPolarHBondContact CA-OE2 3.35Å; A530-E534 WeakPolarHBondContact CB-OE2 3.3Å; A530-E534 PolarHBondContact N-OE2 3.05Å; E534-G536 PolarHBondContact O-N 2.84Å
535	E	53.2	Low	60.2	Low	191 Å²	191	79.4 Å²	79.4	89%	0.893	40%	0.402	S	S	*	.			trans	-74.1	-13.9	-175.9	-64	-143.9	111.4	0	0	114.1	R537	E535-R537 PolarHBondContact O-N 3.42Å
536	G	55.5	Low	59.1	Low	59 Å²	59	84.2 Å²	84.2	61%	0.608	42%	0.422	S	S	*	.			trans	-68.4	72.6	174.5	0	0	0	0	0	113	E534 P538	E534-G536 PolarHBondContact O-N 2.84Å; G536-P538 WeakPolarHBondContact O-CA 3.26Å; G536-P538 WeakPolarHBondContact O-CD 3.42Å
537	R	55.4	Low	58	Low	142 Å²	142	81.8 Å²	81.8	54%	0.536	41%	0.411	S	S	.	.			trans	-54.4	99.9	175.8	-61.8	176.5	-172.7	179.3	7	109.9	E535 H539 T547	E535-R537 PolarHBondContact O-N 3.42Å; R537-H539 PolarHBondContact O-N 2.94Å; R537-T547 HydrophobicContact CB-CG2 4.26Å; R537-T547 VanDerWaalsContact CD-CB 3.5Å; R537-T547 WeakPolarHBondContact CD-OG1 3.44Å; R537-T547 PolarHBondContact NH1-OG1 2.94Å
538	P	57.8	Low	58.1	Low	73 Å²	73	77.4 Å²	77.4	47%	0.474	40%	0.396	S	S	.	.	S	Bend	trans	-81.2	8.3	-151.5	31.5	-36.6	0	0	0	114.3	A530 G536	A530-P538 WeakPolarHBondContact O-CD 3.4Å; G536-P538 WeakPolarHBondContact O-CA 3.26Å; G536-P538 WeakPolarHBondContact O-CD 3.42Å
539	H	59.5	Low	57.7	Low	51 Å²	51	81 Å²	81	24%	0.236	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	75.4	-172.9	-59.3	-42.8	0	0	0	109.8	R537 F548 Q551 L554	R537-H539 PolarHBondContact O-N 2.94Å; H539-F548 HydrophobicContact CB-CB 4.35Å; H539-F548 PolarHBondContact O-N 3.25Å; H539-Q551 PolarHBondContact CD2-N 3.13Å; H539-Q551 PolarHBondContact NE2-N 3.07Å; H539-L554 HydrophobicContact CB-CB 3.99Å; H539-L554 HydrophobicContact CB-CD2 3.78Å; H539-L554 HydrophobicContact CB-CG 4.48Å
540	C	48.9	Very low	57.8	Low	78 Å²	78	79.9 Å²	79.9	53%	0.527	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.2	171.4	59.8	0	0	0	0	111.9	T547 L554	C540-T547 HydrophobicContact CB-CG2 3.81Å; C540-L554 WeakPolarHBondContact O-CD1 3.49Å; C540-L554 WeakPolarHBondContact O-CD2 3.45Å
541	C	55.4	Low	57.5	Low	0 Å²	0	84.4 Å²	84.4	0%	0	43%	0.426	C	S	.	.			trans	-104.8	104.4	170.9	179.5	0	0	0	0	110.5	M543 C544 N545 K546 F548 L554 H557 L558 H561	C541-M543 PolarHBondContact O-N 3.45Å; C541-C544 PolarHBondContact O-N 3.27Å; C541-N545 VanDerWaalsContact O-CA 3.3Å; C541-N545 WeakPolarHBondContact O-CA 3.24Å; C541-N545 PolarHBondContact O-N 3.44Å; C541-K546 WeakPolarHBondContact CB-O 3.3Å; C541-K546 PolarHBondContact N-O 3.06Å; C541-F548 HydrophobicContact CB-CE2 4.23Å; C541-L554 HydrophobicContact CB-CD1 3.62Å; C541-H557 VanDerWaalsContact CB-CD2 3.49Å; C541-H557 WeakPolarHBondContact CB-CD2 3.48Å; C541-H557 PolarHBondContact SG-CD2 3.2Å; C541-H557 PolarHBondContact SG-NE2 2.93Å; C541-H557 VanDerWaalsContact SG-NE2 3.44Å; C541-L558 VanDerWaalsContact SG-CD2 3.52Å; C541-H561 PolarHBondContact SG-CD2 2.86Å; C541-H561 PolarHBondContact SG-NE2 2.93Å; C541-H561 VanDerWaalsContact SG-NE2 3.37Å
542	Y	52.8	Low	57.7	Low	116 Å²	116	88.4 Å²	88.4	46%	0.455	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-21.5	179.2	72	-84.6	0	0	0	115	L558	Y542-L558 HydrophobicContact CD1-CD2 4.24Å; Y542-L558 HydrophobicContact CE1-CD2 3.76Å
543	M	45.3	Very low	58.3	Low	104 Å²	104	86.4 Å²	86.4	51%	0.512	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.8	178	-64.9	-67.4	-58.2	0	0	114.7	C541 H561	C541-M543 PolarHBondContact O-N 3.45Å; M543-H561 HydrophobicContact CB-CB 4.49Å; M543-H561 HydrophobicContact CG-CB 4.37Å
544	C	49.2	Very low	58.5	Low	50 Å²	50	84.1 Å²	84.1	34%	0.338	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.5	18.2	178.5	69.3	0	0	0	0	114.9	C541 K546 H557 H561	C541-C544 PolarHBondContact O-N 3.27Å; C544-K546 PolarHBondContact O-N 3.21Å; C544-H557 PolarHBondContact SG-NE2 3.45Å; C544-H561 VanDerWaalsContact SG-CE1 3.51Å; C544-H561 PolarHBondContact SG-NE2 3.22Å
545	N	46	Very low	58.9	Low	126 Å²	126	84.6 Å²	84.6	67%	0.674	42%	0.423	S	S	*	.			trans	50.8	11.3	-179.3	-60.6	-18.7	0	0	0	117.4	C541	C541-N545 VanDerWaalsContact O-CA 3.3Å; C541-N545 WeakPolarHBondContact O-CA 3.24Å; C541-N545 PolarHBondContact O-N 3.44Å
546	K	53.9	Low	59.7	Low	121 Å²	121	77.2 Å²	77.2	53%	0.526	39%	0.391	S	S	.	.			trans	-69.2	134.2	173.2	-65.8	-178	-165.5	-74.1	0	110.3	C541 C544 F548	C541-K546 WeakPolarHBondContact CB-O 3.3Å; C541-K546 PolarHBondContact N-O 3.06Å; C544-K546 PolarHBondContact O-N 3.21Å; K546-F548 HydrophobicContact CB-CE2 3.98Å; K546-F548 HydrophobicContact CB-CZ 3.99Å; K546-F548 WeakPolarHBondContact O-CD2 3.27Å; K546-F548 VanDerWaalsContact O-CE2 3.22Å; K546-F548 WeakPolarHBondContact O-CE2 3.05Å
547	T	54	Low	60.5	Low	48 Å²	48	75.2 Å²	75.2	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.4	-167.7	36.8	0	0	0	0	111.8	R537 C540	R537-T547 HydrophobicContact CB-CG2 4.26Å; R537-T547 VanDerWaalsContact CD-CB 3.5Å; R537-T547 WeakPolarHBondContact CD-OG1 3.44Å; R537-T547 PolarHBondContact NH1-OG1 2.94Å; C540-T547 HydrophobicContact CB-CG2 3.81Å
548	F	68.4	Low	60.9	Low	40 Å²	40	70.5 Å²	70.5	18%	0.175	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.2	-166.7	-64.9	-80.2	0	0	0	113.5	H539 C541 K546 A550 Q553 L554 H557	H539-F548 HydrophobicContact CB-CB 4.35Å; H539-F548 PolarHBondContact O-N 3.25Å; C541-F548 HydrophobicContact CB-CE2 4.23Å; K546-F548 HydrophobicContact CB-CE2 3.98Å; K546-F548 HydrophobicContact CB-CZ 3.99Å; K546-F548 WeakPolarHBondContact O-CD2 3.27Å; K546-F548 VanDerWaalsContact O-CE2 3.22Å; K546-F548 WeakPolarHBondContact O-CE2 3.05Å; F548-A550 VanDerWaalsContact C-N 3.32Å; F548-A550 PolarHBondContact O-N 3.32Å; F548-Q553 HydrophobicContact CB-CB 4.01Å; F548-Q553 HydrophobicContact CD1-CB 3.85Å; F548-Q553 HydrophobicContact CG-CB 4.2Å; F548-L554 HydrophobicContact CB-CB 4.21Å; F548-L554 HydrophobicContact CD2-CB 4.07Å; F548-L554 HydrophobicContact CD2-CD1 3.9Å; F548-L554 HydrophobicContact CE2-CD1 4.29Å; F548-L554 HydrophobicContact CG-CB 4.33Å; F548-H557 HydrophobicContact CE1-CB 4.14Å; F548-H557 HydrophobicContact CE2-CB 3.83Å; F548-H557 AromaticContact CE2-CD2 3.45Å; F548-H557 VanDerWaalsContact CE2-CD2 3.45Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.27Å; F548-H557 AromaticContact CE2-CG 3.48Å; F548-H557 VanDerWaalsContact CE2-CG 3.48Å; F548-H557 AromaticContact CE2-ND1 3.96Å; F548-H557 AromaticContact CE2-NE2 3.9Å; F548-H557 HydrophobicContact CZ-CB 3.63Å; F548-H557 AromaticContact CZ-CD2 3.69Å; F548-H557 AromaticContact CZ-CE1 3.75Å; F548-H557 AromaticContact CZ-CG 3.27Å; F548-H557 AromaticContact CZ-ND1 3.35Å; F548-H557 VanDerWaalsContact CZ-ND1 3.35Å; F548-H557 WeakPolarHBondContact CZ-ND1 3.36Å; F548-H557 AromaticContact CZ-NE2 3.97Å
549	K	62.1	Low	61.4	Low	90 Å²	90	69.9 Å²	69.9	39%	0.391	34%	0.342	S	S	.	.	S	Bend	trans	-87.8	1.5	-176.3	-55.4	-163.7	174.4	-151.5	0	113.8	R527 S531	R527-K549 WeakPolarHBondContact CG-O 3.11Å; S531-K549 WeakPolarHBondContact O-CE 3.11Å; S531-K549 PolarHBondContact O-NZ 3.11Å
550	A	69.7	Low	61.5	Low	19 Å²	19	74 Å²	74	16%	0.157	36%	0.355	C	S	.	.	S	Bend	trans	-160.6	144.1	176.7	0	0	0	0	0	110.8	F548 E552 Q553 L554	F548-A550 VanDerWaalsContact C-N 3.32Å; F548-A550 PolarHBondContact O-N 3.32Å; A550-E552 PolarHBondContact O-N 3.26Å; A550-Q553 HydrophobicContact CB-CG 4.2Å; A550-Q553 WeakPolarHBondContact O-CB 3.46Å; A550-Q553 PolarHBondContact O-N 3.26Å; A550-L554 PolarHBondContact O-N 3.23Å
551	Q	62.4	Low	62.1	Low	121 Å²	121	73.3 Å²	73.3	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-57.9	-31.6	177.8	-159.5	-171.8	26.8	0	0	112.3	H539 L554 R555	H539-Q551 PolarHBondContact CD2-N 3.13Å; H539-Q551 PolarHBondContact NE2-N 3.07Å; Q551-L554 PolarHBondContact O-N 3.25Å; Q551-R555 WeakPolarHBondContact O-CB 3.37Å; Q551-R555 PolarHBondContact O-N 3.4Å
552	E	71	Confident	62.2	Low	102 Å²	102	81.7 Å²	81.7	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-60.5	-43.3	173.2	-170.4	60.4	-113.8	0	0	112.5	A550 R555 V556	A550-E552 PolarHBondContact O-N 3.26Å; E552-R555 PolarHBondContact O-N 3.16Å; E552-R555 IonicContact OE1-NH1 2.65Å; E552-R555 PolarHBondContact OE1-NH1 3.19Å; E552-R555 IonicContact OE2-CZ 2.67Å; E552-R555 IonicContact OE2-NH1 2.58Å; E552-R555 PolarHBondContact OE2-NH1 3.23Å; E552-V556 WeakPolarHBondContact O-CG2 3.07Å; E552-V556 PolarHBondContact O-N 2.82Å
553	Q	72.8	Confident	62.4	Low	99 Å²	99	78.7 Å²	78.7	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-68	-40.4	179.2	-65.4	173.5	-5	0	0	110.6	F548 A550 H557	F548-Q553 HydrophobicContact CB-CB 4.01Å; F548-Q553 HydrophobicContact CD1-CB 3.85Å; F548-Q553 HydrophobicContact CG-CB 4.2Å; A550-Q553 HydrophobicContact CB-CG 4.2Å; A550-Q553 WeakPolarHBondContact O-CB 3.46Å; A550-Q553 PolarHBondContact O-N 3.26Å; Q553-H557 VanDerWaalsContact O-CB 3.24Å; Q553-H557 WeakPolarHBondContact O-CB 3.42Å; Q553-H557 PolarHBondContact O-N 3.1Å
554	L	71.9	Confident	62.8	Low	22 Å²	22	77.6 Å²	77.6	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-43.6	171.4	175.1	61.7	0	0	0	111.6	H539 C540 C541 F548 A550 Q551 H557 L558	H539-L554 HydrophobicContact CB-CB 3.99Å; H539-L554 HydrophobicContact CB-CD2 3.78Å; H539-L554 HydrophobicContact CB-CG 4.48Å; C540-L554 WeakPolarHBondContact O-CD1 3.49Å; C540-L554 WeakPolarHBondContact O-CD2 3.45Å; C541-L554 HydrophobicContact CB-CD1 3.62Å; F548-L554 HydrophobicContact CB-CB 4.21Å; F548-L554 HydrophobicContact CD2-CB 4.07Å; F548-L554 HydrophobicContact CD2-CD1 3.9Å; F548-L554 HydrophobicContact CE2-CD1 4.29Å; F548-L554 HydrophobicContact CG-CB 4.33Å; A550-L554 PolarHBondContact O-N 3.23Å; Q551-L554 PolarHBondContact O-N 3.25Å; L554-H557 CarbonylContact O-C 3.02Å; L554-H557 WeakPolarHBondContact O-CB 3.38Å; L554-H557 PolarHBondContact O-N 3.37Å; L554-H557 VanDerWaalsContact O-N 3.12Å; L554-L558 HydrophobicContact CD1-CD1 3.95Å; L554-L558 HydrophobicContact CD1-CG 3.9Å; L554-L558 HydrophobicContact CD2-CD1 4.41Å; L554-L558 HydrophobicContact CG-CD1 3.84Å; L554-L558 HydrophobicContact CG-CG 4.27Å; L554-L558 WeakPolarHBondContact O-CG 3.11Å; L554-L558 PolarHBondContact O-N 2.68Å
555	R	72.2	Confident	63.3	Low	124 Å²	124	81.1 Å²	81.1	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-46.6	179.4	-161.5	-171.5	-53.6	112	-2.2	111.8	Q551 E552 H557 L558 Q559	Q551-R555 WeakPolarHBondContact O-CB 3.37Å; Q551-R555 PolarHBondContact O-N 3.4Å; E552-R555 PolarHBondContact O-N 3.16Å; E552-R555 IonicContact OE1-NH1 2.65Å; E552-R555 PolarHBondContact OE1-NH1 3.19Å; E552-R555 IonicContact OE2-CZ 2.67Å; E552-R555 IonicContact OE2-NH1 2.58Å; E552-R555 PolarHBondContact OE2-NH1 3.23Å; R555-H557 PolarHBondContact O-N 3.32Å; R555-L558 PolarHBondContact O-N 3.31Å; R555-Q559 WeakPolarHBondContact O-CB 3.44Å; R555-Q559 PolarHBondContact O-N 3.01Å
556	V	69.4	Low	64	Low	37 Å²	37	82.4 Å²	82.4	22%	0.224	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-33	173.9	169.6	0	0	0	0	111.7	E552 R560 R578	E552-V556 WeakPolarHBondContact O-CG2 3.07Å; E552-V556 PolarHBondContact O-N 2.82Å; V556-R560 PolarHBondContact O-N 3.48Å; V556-R578 HydrophobicContact CG1-CG 4.05Å
557	H	72.8	Confident	64.8	Low	17 Å²	17	80.1 Å²	80.1	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-75.5	-40.6	176.3	177.5	84.7	0	0	0	113.1	C541 C544 F548 Q553 L554 R555 Q559 R560 H561	C541-H557 VanDerWaalsContact CB-CD2 3.49Å; C541-H557 WeakPolarHBondContact CB-CD2 3.48Å; C541-H557 PolarHBondContact SG-CD2 3.2Å; C541-H557 PolarHBondContact SG-NE2 2.93Å; C541-H557 VanDerWaalsContact SG-NE2 3.44Å; C544-H557 PolarHBondContact SG-NE2 3.45Å; F548-H557 HydrophobicContact CE1-CB 4.14Å; F548-H557 HydrophobicContact CE2-CB 3.83Å; F548-H557 AromaticContact CE2-CD2 3.45Å; F548-H557 VanDerWaalsContact CE2-CD2 3.45Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.27Å; F548-H557 AromaticContact CE2-CG 3.48Å; F548-H557 VanDerWaalsContact CE2-CG 3.48Å; F548-H557 AromaticContact CE2-ND1 3.96Å; F548-H557 AromaticContact CE2-NE2 3.9Å; F548-H557 HydrophobicContact CZ-CB 3.63Å; F548-H557 AromaticContact CZ-CD2 3.69Å; F548-H557 AromaticContact CZ-CE1 3.75Å; F548-H557 AromaticContact CZ-CG 3.27Å; F548-H557 AromaticContact CZ-ND1 3.35Å; F548-H557 VanDerWaalsContact CZ-ND1 3.35Å; F548-H557 WeakPolarHBondContact CZ-ND1 3.36Å; F548-H557 AromaticContact CZ-NE2 3.97Å; Q553-H557 VanDerWaalsContact O-CB 3.24Å; Q553-H557 WeakPolarHBondContact O-CB 3.42Å; Q553-H557 PolarHBondContact O-N 3.1Å; L554-H557 CarbonylContact O-C 3.02Å; L554-H557 WeakPolarHBondContact O-CB 3.38Å; L554-H557 PolarHBondContact O-N 3.37Å; L554-H557 VanDerWaalsContact O-N 3.12Å; R555-H557 PolarHBondContact O-N 3.32Å; H557-Q559 VanDerWaalsContact C-N 3.27Å; H557-Q559 PolarHBondContact O-N 2.96Å; H557-R560 PolarHBondContact CE1-NH2 3.03Å; H557-R560 WeakPolarHBondContact O-CA 3.47Å; H557-R560 WeakPolarHBondContact O-CB 3.42Å; H557-R560 PolarHBondContact O-N 3.04Å; H557-H561 AromaticContact CD2-CD2 3.81Å; H557-H561 AromaticContact CD2-NE2 3.65Å; H557-H561 AromaticContact CE1-NE2 3.68Å; H557-H561 AromaticContact NE2-CD2 3.64Å; H557-H561 AromaticContact NE2-NE2 2.99Å; H557-H561 PolarHBondContact NE2-NE2 3.44Å; H557-H561 PolarHBondContact O-CD2 3.14Å; H557-H561 PolarHBondContact O-N 3.3Å
558	L	64.1	Low	65.7	Low	43 Å²	43	82.3 Å²	82.3	23%	0.225	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-34.8	172	-72.1	168.4	0	0	0	111.5	C541 Y542 L554 R555 R560 H561 R562	C541-L558 VanDerWaalsContact SG-CD2 3.52Å; Y542-L558 HydrophobicContact CD1-CD2 4.24Å; Y542-L558 HydrophobicContact CE1-CD2 3.76Å; L554-L558 HydrophobicContact CD1-CD1 3.95Å; L554-L558 HydrophobicContact CD1-CG 3.9Å; L554-L558 HydrophobicContact CD2-CD1 4.41Å; L554-L558 HydrophobicContact CG-CD1 3.84Å; L554-L558 HydrophobicContact CG-CG 4.27Å; L554-L558 WeakPolarHBondContact O-CG 3.11Å; L554-L558 PolarHBondContact O-N 2.68Å; R555-L558 PolarHBondContact O-N 3.31Å; L558-R560 PolarHBondContact O-N 3.33Å; L558-H561 PolarHBondContact O-N 2.86Å; L558-H561 VanDerWaalsContact O-N 3.12Å; L558-R562 PolarHBondContact O-N 3.42Å
559	Q	67.8	Low	66.1	Low	59 Å²	59	80.4 Å²	80.4	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-26.3	171.7	-165.4	68.3	0.9	0	0	112.9	R555 H557 M564	R555-Q559 WeakPolarHBondContact O-CB 3.44Å; R555-Q559 PolarHBondContact O-N 3.01Å; H557-Q559 VanDerWaalsContact C-N 3.27Å; H557-Q559 PolarHBondContact O-N 2.96Å; Q559-M564 HydrophobicContact CG-CB 4.43Å; Q559-M564 VanDerWaalsContact NE2-CB 3.3Å
560	R	62.4	Low	66.8	Low	137 Å²	137	82.4 Å²	82.4	52%	0.517	39%	0.389	S	S	.	.	H	α-helix	trans	-74.1	-35.2	173.5	-167.2	-174.5	69	138.9	12.5	112.2	V556 H557 L558 T577	V556-R560 PolarHBondContact O-N 3.48Å; H557-R560 PolarHBondContact CE1-NH2 3.03Å; H557-R560 WeakPolarHBondContact O-CA 3.47Å; H557-R560 WeakPolarHBondContact O-CB 3.42Å; H557-R560 PolarHBondContact O-N 3.04Å; L558-R560 PolarHBondContact O-N 3.33Å; R560-T577 HydrophobicContact CB-CG2 4.45Å; R560-T577 HydrophobicContact CG-CG2 4.36Å
561	H	59.8	Low	66.8	Low	64 Å²	64	85.2 Å²	85.2	30%	0.296	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-36.3	172.3	-69.8	-68.1	0	0	0	112.2	C541 M543 C544 H557 L558 G563	C541-H561 PolarHBondContact SG-CD2 2.86Å; C541-H561 PolarHBondContact SG-NE2 2.93Å; C541-H561 VanDerWaalsContact SG-NE2 3.37Å; M543-H561 HydrophobicContact CB-CB 4.49Å; M543-H561 HydrophobicContact CG-CB 4.37Å; C544-H561 VanDerWaalsContact SG-CE1 3.51Å; C544-H561 PolarHBondContact SG-NE2 3.22Å; H557-H561 AromaticContact CD2-CD2 3.81Å; H557-H561 AromaticContact CD2-NE2 3.65Å; H557-H561 AromaticContact CE1-NE2 3.68Å; H557-H561 AromaticContact NE2-CD2 3.64Å; H557-H561 AromaticContact NE2-NE2 2.99Å; H557-H561 PolarHBondContact NE2-NE2 3.44Å; H557-H561 PolarHBondContact O-CD2 3.14Å; H557-H561 PolarHBondContact O-N 3.3Å; L558-H561 PolarHBondContact O-N 2.86Å; L558-H561 VanDerWaalsContact O-N 3.12Å; H561-G563 PolarHBondContact O-N 3.07Å
562	R	59.2	Low	67.5	Low	176 Å²	176	82.3 Å²	82.3	66%	0.664	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	15.2	175.6	-68.5	-176.4	174.3	-171.8	-3.2	114.5	L558 M564	L558-R562 PolarHBondContact O-N 3.42Å; R562-M564 PolarHBondContact O-N 3.03Å
563	G	55.5	Low	67.2	Low	54 Å²	54	79.1 Å²	79.1	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-6.3	173.4	0	0	0	0	0	117.3	H561 R565	H561-G563 PolarHBondContact O-N 3.07Å; G563-R565 VanDerWaalsContact C-N 3.28Å; G563-R565 PolarHBondContact O-N 3.24Å
564	M	54.7	Low	66.9	Low	80 Å²	80	79.9 Å²	79.9	39%	0.394	39%	0.388	S	S	.	.			trans	-74.1	72	-169	-80	-148.5	-109.1	0	0	113.7	Q559 R562 K566	Q559-M564 HydrophobicContact CG-CB 4.43Å; Q559-M564 VanDerWaalsContact NE2-CB 3.3Å; R562-M564 PolarHBondContact O-N 3.03Å; M564-K566 HydrophobicContact CB-CG 4.37Å; M564-K566 PolarHBondContact O-N 3.48Å; M564-K566 WeakPolarHBondContact SD-CE 3.2Å
565	R	58.8	Low	66.8	Low	125 Å²	125	83.3 Å²	83.3	47%	0.472	40%	0.402	S	S	.	.			trans	-74.6	65.1	168.9	-64.6	171.6	174.9	-122	16.9	110.9	G563 F567 Y574 K575 F576 T577	G563-R565 VanDerWaalsContact C-N 3.28Å; G563-R565 PolarHBondContact O-N 3.24Å; R565-F567 PolarHBondContact O-N 3.49Å; R565-Y574 PolarHBondContact NH1-OH 3.06Å; R565-K575 HydrophobicContact CB-CB 3.59Å; R565-K575 VanDerWaalsContact CD-O 3.32Å; R565-K575 WeakPolarHBondContact CD-O 3.29Å; R565-K575 HydrophobicContact CG-CB 4.41Å; R565-K575 PolarHBondContact NH1-O 3.45Å; R565-F576 CarbonylContact C-O 3.51Å; R565-F576 VanDerWaalsContact CA-O 3.26Å; R565-F576 WeakPolarHBondContact CA-O 3.38Å; R565-T577 HydrophobicContact CG-CG2 4.08Å
566	K	61.9	Low	66.8	Low	152 Å²	152	78.9 Å²	78.9	66%	0.661	39%	0.386	S	S	*	.			trans	-67.6	-10.6	-173.6	-67.6	-161.4	175.2	-162.6	0	116.1	M564 F576	M564-K566 HydrophobicContact CB-CG 4.37Å; M564-K566 PolarHBondContact O-N 3.48Å; M564-K566 WeakPolarHBondContact SD-CE 3.2Å; K566-F576 PolarHBondContact N-O 3.3Å
567	F	70.3	Confident	66.7	Low	74 Å²	74	79 Å²	79	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	94.7	-171.6	-61.7	-74.3	0	0	0	110.5	R565 F576 Q579 L582	R565-F567 PolarHBondContact O-N 3.49Å; F567-F576 HydrophobicContact CB-CB 4.28Å; F567-F576 PolarHBondContact N-O 2.95Å; F567-F576 WeakPolarHBondContact O-CA 3.47Å; F567-F576 WeakPolarHBondContact O-CB 3Å; F567-F576 PolarHBondContact O-N 3.2Å; F567-Q579 HydrophobicContact CD1-CB 3.8Å; F567-Q579 HydrophobicContact CD1-CG 3.89Å; F567-Q579 HydrophobicContact CD2-CB 4.4Å; F567-Q579 VanDerWaalsContact CD2-N 3.35Å; F567-Q579 HydrophobicContact CE1-CB 3.71Å; F567-Q579 HydrophobicContact CE1-CG 3.95Å; F567-Q579 HydrophobicContact CE2-CB 4.31Å; F567-Q579 HydrophobicContact CG-CB 4.14Å; F567-Q579 HydrophobicContact CZ-CB 3.97Å; F567-L582 HydrophobicContact CB-CB 4.22Å; F567-L582 HydrophobicContact CB-CD2 3.9Å
568	E	72.3	Confident	66.4	Low	93 Å²	93	83.5 Å²	83.5	44%	0.435	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.3	-179.3	-167.5	147.3	-172.4	0	0	112	K575 L582	E568-K575 HydrophobicContact CB-CG 4.4Å; E568-K575 VanDerWaalsContact CD-CE 3.41Å; E568-K575 HydrophobicContact CG-CD 4.47Å; E568-K575 HydrophobicContact CG-CG 4.01Å; E568-K575 WeakPolarHBondContact OE1-CE 3.45Å; E568-K575 IonicContact OE1-NZ 2.68Å; E568-K575 PolarHBondContact OE1-NZ 3.13Å; E568-K575 WeakPolarHBondContact OE2-CD 3.35Å; E568-K575 VanDerWaalsContact OE2-CE 3.27Å; E568-K575 WeakPolarHBondContact OE2-CE 3.47Å; E568-K575 IonicContact OE2-NZ 3.84Å; E568-K575 PolarHBondContact OE2-NZ 3.24Å; E568-L582 WeakPolarHBondContact O-CD1 3.29Å; E568-L582 VanDerWaalsContact O-CD2 3.28Å; E568-L582 WeakPolarHBondContact O-CD2 3.39Å
569	C	77.7	Confident	66.6	Low	1 Å²	1	85.9 Å²	85.9	1%	0.007	41%	0.414	C	S	.	.			trans	-89.2	120.7	170.9	-176.9	0	0	0	0	109.9	D571 C572 G573 Y574 F576 L582 H585	C569-D571 PolarHBondContact O-N 2.91Å; C569-D571 PolarHBondContact SG-N 2.92Å; C569-C572 PolarHBondContact O-N 3.01Å; C569-G573 VanDerWaalsContact O-CA 3.31Å; C569-G573 WeakPolarHBondContact O-CA 3.24Å; C569-G573 PolarHBondContact O-N 2.87Å; C569-Y574 PolarHBondContact N-O 3.26Å; C569-F576 HydrophobicContact CB-CE2 4.27Å; C569-L582 HydrophobicContact CB-CD1 3.61Å; C569-H585 VanDerWaalsContact SG-CD2 3.55Å
570	T	75.3	Confident	67	Low	131 Å²	131	86 Å²	86	80%	0.804	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-37.9	172.2	37.4	0	0	0	0	112.4	C572	T570-C572 PolarHBondContact O-N 2.65Å
571	D	71	Confident	67.5	Low	78 Å²	78	82.8 Å²	82.8	42%	0.417	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10	-165.7	-28.3	-35.1	0	0	0	112.6	C569 H589	C569-D571 PolarHBondContact O-N 2.91Å; C569-D571 PolarHBondContact SG-N 2.92Å; D571-H589 IonicContact OD2-CD2 2.69Å; D571-H589 PolarHBondContact OD2-CD2 2.85Å; D571-H589 VanDerWaalsContact OD2-CD2 3.26Å; D571-H589 IonicContact OD2-CG 2.91Å
572	C	76.3	Confident	68.2	Low	61 Å²	61	81 Å²	81	41%	0.412	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.2	5.7	-178.8	74.7	0	0	0	0	116.6	C569 T570 Y574 H585 H589	C569-C572 PolarHBondContact O-N 3.01Å; T570-C572 PolarHBondContact O-N 2.65Å; C572-Y574 PolarHBondContact O-N 3.24Å; C572-Y574 VanDerWaalsContact O-N 3.1Å; C572-H585 PolarHBondContact SG-NE2 2.85Å; C572-H589 PolarHBondContact SG-NE2 3.03Å
573	G	64.9	Low	69	Low	34 Å²	34	80.4 Å²	80.4	35%	0.351	41%	0.405	S	S	.	.			trans	68.5	1.2	-178.2	0	0	0	0	0	116	C569 K575	C569-G573 VanDerWaalsContact O-CA 3.31Å; C569-G573 WeakPolarHBondContact O-CA 3.24Å; C569-G573 PolarHBondContact O-N 2.87Å; G573-K575 VanDerWaalsContact O-CG 3.27Å; G573-K575 WeakPolarHBondContact O-CG 3.31Å; G573-K575 PolarHBondContact O-N 2.69Å
574	Y	67.6	Low	69.9	Low	115 Å²	115	85.9 Å²	85.9	45%	0.451	41%	0.409	S	S	.	.			trans	-70.4	122.4	-176.3	-162.1	-78.6	0	0	0	111.5	R565 C569 C572 F576	R565-Y574 PolarHBondContact NH1-OH 3.06Å; C569-Y574 PolarHBondContact N-O 3.26Å; C572-Y574 PolarHBondContact O-N 3.24Å; C572-Y574 VanDerWaalsContact O-N 3.1Å; Y574-F576 HydrophobicContact CD1-CD1 4.26Å; Y574-F576 HydrophobicContact CD1-CD2 4.1Å; Y574-F576 AromaticContact CD1-CE1 3.77Å; Y574-F576 HydrophobicContact CD1-CE1 3.77Å; Y574-F576 AromaticContact CD1-CE2 3.58Å; Y574-F576 HydrophobicContact CD1-CE2 3.58Å; Y574-F576 HydrophobicContact CD1-CG 4.4Å; Y574-F576 AromaticContact CD1-CZ 3.38Å; Y574-F576 HydrophobicContact CD1-CZ 3.38Å; Y574-F576 HydrophobicContact CE1-CD1 4.38Å; Y574-F576 HydrophobicContact CE1-CE1 4.01Å; Y574-F576 HydrophobicContact CE1-CZ 4.09Å; Y574-F576 HydrophobicContact CG-CE2 4.25Å; Y574-F576 HydrophobicContact CG-CZ 4.14Å; Y574-F576 VanDerWaalsContact O-CD2 3.23Å; Y574-F576 WeakPolarHBondContact O-CD2 3.34Å; Y574-F576 VanDerWaalsContact O-CE2 3.22Å; Y574-F576 WeakPolarHBondContact O-CE2 3.48Å
575	K	69.7	Low	70.9	Confident	94 Å²	94	83.7 Å²	83.7	41%	0.409	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.1	-173.2	-41.3	-165.5	-167.8	-132.4	0	112.1	R565 E568 G573	R565-K575 HydrophobicContact CB-CB 3.59Å; R565-K575 VanDerWaalsContact CD-O 3.32Å; R565-K575 WeakPolarHBondContact CD-O 3.29Å; R565-K575 HydrophobicContact CG-CB 4.41Å; R565-K575 PolarHBondContact NH1-O 3.45Å; E568-K575 HydrophobicContact CB-CG 4.4Å; E568-K575 VanDerWaalsContact CD-CE 3.41Å; E568-K575 HydrophobicContact CG-CD 4.47Å; E568-K575 HydrophobicContact CG-CG 4.01Å; E568-K575 WeakPolarHBondContact OE1-CE 3.45Å; E568-K575 IonicContact OE1-NZ 2.68Å; E568-K575 PolarHBondContact OE1-NZ 3.13Å; E568-K575 WeakPolarHBondContact OE2-CD 3.35Å; E568-K575 VanDerWaalsContact OE2-CE 3.27Å; E568-K575 WeakPolarHBondContact OE2-CE 3.47Å; E568-K575 IonicContact OE2-NZ 3.84Å; E568-K575 PolarHBondContact OE2-NZ 3.24Å; G573-K575 VanDerWaalsContact O-CG 3.27Å; G573-K575 WeakPolarHBondContact O-CG 3.31Å; G573-K575 PolarHBondContact O-N 2.69Å
576	F	72.3	Confident	71.6	Confident	31 Å²	31	79.3 Å²	79.3	14%	0.136	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.3	-177.1	-63.3	-88.1	0	0	0	113.1	R565 K566 F567 C569 Y574 H581 L582 H585	R565-F576 CarbonylContact C-O 3.51Å; R565-F576 VanDerWaalsContact CA-O 3.26Å; R565-F576 WeakPolarHBondContact CA-O 3.38Å; K566-F576 PolarHBondContact N-O 3.3Å; F567-F576 HydrophobicContact CB-CB 4.28Å; F567-F576 PolarHBondContact N-O 2.95Å; F567-F576 WeakPolarHBondContact O-CA 3.47Å; F567-F576 WeakPolarHBondContact O-CB 3Å; F567-F576 PolarHBondContact O-N 3.2Å; C569-F576 HydrophobicContact CB-CE2 4.27Å; Y574-F576 HydrophobicContact CD1-CD1 4.26Å; Y574-F576 HydrophobicContact CD1-CD2 4.1Å; Y574-F576 AromaticContact CD1-CE1 3.77Å; Y574-F576 HydrophobicContact CD1-CE1 3.77Å; Y574-F576 AromaticContact CD1-CE2 3.58Å; Y574-F576 HydrophobicContact CD1-CE2 3.58Å; Y574-F576 HydrophobicContact CD1-CG 4.4Å; Y574-F576 AromaticContact CD1-CZ 3.38Å; Y574-F576 HydrophobicContact CD1-CZ 3.38Å; Y574-F576 HydrophobicContact CE1-CD1 4.38Å; Y574-F576 HydrophobicContact CE1-CE1 4.01Å; Y574-F576 HydrophobicContact CE1-CZ 4.09Å; Y574-F576 HydrophobicContact CG-CE2 4.25Å; Y574-F576 HydrophobicContact CG-CZ 4.14Å; Y574-F576 VanDerWaalsContact O-CD2 3.23Å; Y574-F576 WeakPolarHBondContact O-CD2 3.34Å; Y574-F576 VanDerWaalsContact O-CE2 3.22Å; Y574-F576 WeakPolarHBondContact O-CE2 3.48Å; F576-H581 HydrophobicContact CD1-CB 3.88Å; F576-H581 HydrophobicContact CG-CB 4.49Å; F576-L582 HydrophobicContact CB-CB 4.34Å; F576-L582 HydrophobicContact CD2-CB 3.93Å; F576-L582 HydrophobicContact CD2-CD1 3.96Å; F576-L582 HydrophobicContact CE2-CD1 4.16Å; F576-L582 HydrophobicContact CG-CB 4.25Å; F576-H585 HydrophobicContact CE1-CB 4.1Å; F576-H585 HydrophobicContact CE2-CB 3.95Å; F576-H585 AromaticContact CE2-CD2 3.29Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.15Å; F576-H585 AromaticContact CE2-CG 3.7Å; F576-H585 AromaticContact CE2-NE2 3.96Å; F576-H585 HydrophobicContact CZ-CB 3.47Å; F576-H585 VanDerWaalsContact CZ-CB 3.47Å; F576-H585 AromaticContact CZ-CD2 3.35Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.36Å; F576-H585 AromaticContact CZ-CG 3.27Å; F576-H585 AromaticContact CZ-ND1 3.87Å; F576-H585 AromaticContact CZ-NE2 3.93Å
577	T	66.1	Low	72.2	Confident	41 Å²	41	76.6 Å²	76.6	25%	0.252	38%	0.375	S	S	.	.	S	Bend	trans	-85.5	-9.6	174.4	53.1	0	0	0	0	114.2	R560 R565	R560-T577 HydrophobicContact CB-CG2 4.45Å; R560-T577 HydrophobicContact CG-CG2 4.36Å; R565-T577 HydrophobicContact CG-CG2 4.08Å
578	R	66.8	Low	72.2	Confident	111 Å²	111	77.3 Å²	77.3	42%	0.419	38%	0.381	S	S	.	.			trans	-141.8	130.6	-179.6	-53.5	-175.1	83.9	-179.1	6.8	111	V556 A580 H581 L582	V556-R578 HydrophobicContact CG1-CG 4.05Å; R578-A580 PolarHBondContact O-N 2.95Å; R578-H581 HydrophobicContact CB-CB 4.49Å; R578-H581 WeakPolarHBondContact O-CB 3.32Å; R578-H581 PolarHBondContact O-N 3.26Å; R578-L582 PolarHBondContact O-N 3.42Å
579	Q	69.1	Low	72.2	Confident	93 Å²	93	75.3 Å²	75.3	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-56.2	-34	176.1	-158.2	-172.4	21.7	0	0	112.8	F567 H581 L582 R583	F567-Q579 HydrophobicContact CD1-CB 3.8Å; F567-Q579 HydrophobicContact CD1-CG 3.89Å; F567-Q579 HydrophobicContact CD2-CB 4.4Å; F567-Q579 VanDerWaalsContact CD2-N 3.35Å; F567-Q579 HydrophobicContact CE1-CB 3.71Å; F567-Q579 HydrophobicContact CE1-CG 3.95Å; F567-Q579 HydrophobicContact CE2-CB 4.31Å; F567-Q579 HydrophobicContact CG-CB 4.14Å; F567-Q579 HydrophobicContact CZ-CB 3.97Å; Q579-H581 VanDerWaalsContact C-N 3.28Å; Q579-H581 PolarHBondContact O-N 2.97Å; Q579-L582 PolarHBondContact O-N 3.41Å; Q579-R583 WeakPolarHBondContact O-CG 3.45Å; Q579-R583 PolarHBondContact O-N 3.47Å; Q579-R583 VanDerWaalsContact OE1-NH2 3.16Å
580	A	75.2	Confident	71.7	Confident	60 Å²	60	82.5 Å²	82.5	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-25.6	176	0	0	0	0	0	113.9	R578 R584	R578-A580 PolarHBondContact O-N 2.95Å; A580-R584 PolarHBondContact O-N 3.16Å
581	H	72.3	Confident	71	Confident	70 Å²	70	86.2 Å²	86.2	32%	0.324	40%	0.402	S	S	.	.	H	α-helix	trans	-81.5	-40	174.1	-68.6	-164.9	0	0	0	110.4	F576 R578 Q579 R584 H585	F576-H581 HydrophobicContact CD1-CB 3.88Å; F576-H581 HydrophobicContact CG-CB 4.49Å; R578-H581 HydrophobicContact CB-CB 4.49Å; R578-H581 WeakPolarHBondContact O-CB 3.32Å; R578-H581 PolarHBondContact O-N 3.26Å; Q579-H581 VanDerWaalsContact C-N 3.28Å; Q579-H581 PolarHBondContact O-N 2.97Å; H581-R584 PolarHBondContact O-N 3.17Å; H581-H585 WeakPolarHBondContact O-CB 3.34Å; H581-H585 PolarHBondContact O-N 3.42Å
582	L	76.4	Confident	70.3	Confident	27 Å²	27	84.6 Å²	84.6	14%	0.141	40%	0.395	C	S	.	.	H	α-helix	trans	-55.7	-50.4	169.8	170.6	61.2	0	0	0	111.5	F567 E568 C569 F576 R578 Q579 R584 H585 V586	F567-L582 HydrophobicContact CB-CB 4.22Å; F567-L582 HydrophobicContact CB-CD2 3.9Å; E568-L582 WeakPolarHBondContact O-CD1 3.29Å; E568-L582 VanDerWaalsContact O-CD2 3.28Å; E568-L582 WeakPolarHBondContact O-CD2 3.39Å; C569-L582 HydrophobicContact CB-CD1 3.61Å; F576-L582 HydrophobicContact CB-CB 4.34Å; F576-L582 HydrophobicContact CD2-CB 3.93Å; F576-L582 HydrophobicContact CD2-CD1 3.96Å; F576-L582 HydrophobicContact CE2-CD1 4.16Å; F576-L582 HydrophobicContact CG-CB 4.25Å; R578-L582 PolarHBondContact O-N 3.42Å; Q579-L582 PolarHBondContact O-N 3.41Å; L582-R584 VanDerWaalsContact C-N 3.31Å; L582-R584 PolarHBondContact O-N 3.23Å; L582-H585 CarbonylContact O-C 3.55Å; L582-H585 WeakPolarHBondContact O-CA 3.41Å; L582-H585 WeakPolarHBondContact O-CB 3.34Å; L582-H585 PolarHBondContact O-N 3.16Å; L582-V586 HydrophobicContact CD1-CG2 3.78Å; L582-V586 HydrophobicContact CG-CG2 4.38Å; L582-V586 PolarHBondContact O-N 2.95Å
583	R	75.4	Confident	69.1	Low	164 Å²	164	90.6 Å²	90.6	62%	0.619	42%	0.417	S	S	*	.	H	α-helix	trans	-58	-40.7	177.9	-70.8	179.8	-167.4	-177.4	5.7	112.6	Q579 H585 Q587	Q579-R583 WeakPolarHBondContact O-CG 3.45Å; Q579-R583 PolarHBondContact O-N 3.47Å; Q579-R583 VanDerWaalsContact OE1-NH2 3.16Å; R583-H585 VanDerWaalsContact C-N 3.31Å; R583-H585 PolarHBondContact O-N 2.97Å; R583-Q587 WeakPolarHBondContact O-CB 3.49Å; R583-Q587 PolarHBondContact O-N 3.35Å; R583-Q587 VanDerWaalsContact O-N 3.16Å
584	R	74.7	Confident	68.3	Low	169 Å²	169	96.3 Å²	96.3	64%	0.638	44%	0.439	S	S	*	.	H	α-helix	trans	-64.9	-35.7	174.3	-171.7	-172.8	-62.2	137.3	0.5	112	A580 H581 L582 Q587 I588	A580-R584 PolarHBondContact O-N 3.16Å; H581-R584 PolarHBondContact O-N 3.17Å; L582-R584 VanDerWaalsContact C-N 3.31Å; L582-R584 PolarHBondContact O-N 3.23Å; R584-Q587 WeakPolarHBondContact O-CB 3.38Å; R584-Q587 PolarHBondContact O-N 3.32Å; R584-I588 PolarHBondContact O-N 3.18Å
585	H	75.5	Confident	67.4	Low	34 Å²	34	96.9 Å²	96.9	16%	0.157	44%	0.441	C	S	.	.	H	α-helix	trans	-76.9	-41.4	-178.5	170.8	70.7	0	0	0	113.3	C569 C572 F576 H581 L582 R583 Q587 I588 H589	C569-H585 VanDerWaalsContact SG-CD2 3.55Å; C572-H585 PolarHBondContact SG-NE2 2.85Å; F576-H585 HydrophobicContact CE1-CB 4.1Å; F576-H585 HydrophobicContact CE2-CB 3.95Å; F576-H585 AromaticContact CE2-CD2 3.29Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.15Å; F576-H585 AromaticContact CE2-CG 3.7Å; F576-H585 AromaticContact CE2-NE2 3.96Å; F576-H585 HydrophobicContact CZ-CB 3.47Å; F576-H585 VanDerWaalsContact CZ-CB 3.47Å; F576-H585 AromaticContact CZ-CD2 3.35Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.36Å; F576-H585 AromaticContact CZ-CG 3.27Å; F576-H585 AromaticContact CZ-ND1 3.87Å; F576-H585 AromaticContact CZ-NE2 3.93Å; H581-H585 WeakPolarHBondContact O-CB 3.34Å; H581-H585 PolarHBondContact O-N 3.42Å; L582-H585 CarbonylContact O-C 3.55Å; L582-H585 WeakPolarHBondContact O-CA 3.41Å; L582-H585 WeakPolarHBondContact O-CB 3.34Å; L582-H585 PolarHBondContact O-N 3.16Å; R583-H585 VanDerWaalsContact C-N 3.31Å; R583-H585 PolarHBondContact O-N 2.97Å; H585-Q587 PolarHBondContact O-N 2.71Å; H585-I588 WeakPolarHBondContact O-CA 3.49Å; H585-I588 VanDerWaalsContact O-CB 3.24Å; H585-I588 WeakPolarHBondContact O-CB 3.28Å; H585-I588 PolarHBondContact O-N 3.33Å; H585-H589 AromaticContact CD2-NE2 3.94Å; H585-H589 AromaticContact CE1-NE2 3.54Å; H585-H589 AromaticContact NE2-CD2 3.98Å; H585-H589 AromaticContact NE2-NE2 3.22Å; H585-H589 PolarHBondContact NE2-NE2 3.38Å; H585-H589 PolarHBondContact O-N 3.3Å
586	V	72.3	Confident	66.2	Low	33 Å²	33	95 Å²	95	20%	0.2	44%	0.44	C	S	.	.	H	α-helix	trans	-58.5	-33.4	168.4	173	0	0	0	0	110.5	L582 I588 H589 K590	L582-V586 HydrophobicContact CD1-CG2 3.78Å; L582-V586 HydrophobicContact CG-CG2 4.38Å; L582-V586 PolarHBondContact O-N 2.95Å; V586-I588 PolarHBondContact O-N 3.03Å; V586-H589 PolarHBondContact O-N 2.99Å; V586-K590 WeakPolarHBondContact O-CG 3.29Å; V586-K590 PolarHBondContact O-N 3.44Å
587	Q	75.1	Confident	65.1	Low	95 Å²	95	98.2 Å²	98.2	44%	0.444	46%	0.464	S	S	.	.	H	α-helix	trans	-70.6	-11.5	172.7	-166	57.2	80.3	0	0	114.3	R583 R584 H585 R591	R583-Q587 WeakPolarHBondContact O-CB 3.49Å; R583-Q587 PolarHBondContact O-N 3.35Å; R583-Q587 VanDerWaalsContact O-N 3.16Å; R584-Q587 WeakPolarHBondContact O-CB 3.38Å; R584-Q587 PolarHBondContact O-N 3.32Å; H585-Q587 PolarHBondContact O-N 2.71Å; Q587-R591 WeakPolarHBondContact O-CD 3.48Å; Q587-R591 VanDerWaalsContact O-CG 3.28Å; Q587-R591 WeakPolarHBondContact O-CG 3.31Å
588	I	71.2	Confident	64.3	Low	88 Å²	88	106.6 Å²	106.6	45%	0.451	49%	0.491	S	S	.	.	H	α-helix	trans	-77.9	-51.8	166.7	-57.5	172	0	0	0	108.8	R584 H585 V586 K590 R591 T592	R584-I588 PolarHBondContact O-N 3.18Å; H585-I588 WeakPolarHBondContact O-CA 3.49Å; H585-I588 VanDerWaalsContact O-CB 3.24Å; H585-I588 WeakPolarHBondContact O-CB 3.28Å; H585-I588 PolarHBondContact O-N 3.33Å; V586-I588 PolarHBondContact O-N 3.03Å; I588-K590 VanDerWaalsContact C-N 3.29Å; I588-K590 PolarHBondContact O-N 2.94Å; I588-R591 CarbonylContact O-C 3.16Å; I588-R591 WeakPolarHBondContact O-CA 3.47Å; I588-R591 WeakPolarHBondContact O-CB 3.36Å; I588-R591 PolarHBondContact O-N 3.44Å; I588-T592 HydrophobicContact CG2-CG2 4.27Å; I588-T592 PolarHBondContact O-N 3.27Å; I588-T592 VanDerWaalsContact O-N 3.12Å; I588-T592 PolarHBondContact O-OG1 3.4Å
589	H	72.3	Confident	63.6	Low	52 Å²	52	106.4 Å²	106.4	24%	0.241	50%	0.495	C	S	.	.	H	α-helix	trans	-53.6	-46.1	175.8	-61.8	-54.7	0	0	0	111.6	D571 C572 H585 V586 R591 T592	D571-H589 IonicContact OD2-CD2 2.69Å; D571-H589 PolarHBondContact OD2-CD2 2.85Å; D571-H589 VanDerWaalsContact OD2-CD2 3.26Å; D571-H589 IonicContact OD2-CG 2.91Å; C572-H589 PolarHBondContact SG-NE2 3.03Å; H585-H589 AromaticContact CD2-NE2 3.94Å; H585-H589 AromaticContact CE1-NE2 3.54Å; H585-H589 AromaticContact NE2-CD2 3.98Å; H585-H589 AromaticContact NE2-NE2 3.22Å; H585-H589 PolarHBondContact NE2-NE2 3.38Å; H585-H589 PolarHBondContact O-N 3.3Å; V586-H589 PolarHBondContact O-N 2.99Å; H589-R591 PolarHBondContact O-N 3.02Å; H589-T592 CarbonylContact O-C 3.6Å; H589-T592 PolarHBondContact O-N 2.86Å
590	K	66.6	Low	62.8	Low	151 Å²	151	110.2 Å²	110.2	66%	0.657	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	11.8	172.6	-63	-165.9	176.4	-154.8	0	115.9	V586 I588	V586-K590 WeakPolarHBondContact O-CG 3.29Å; V586-K590 PolarHBondContact O-N 3.44Å; I588-K590 VanDerWaalsContact C-N 3.29Å; I588-K590 PolarHBondContact O-N 2.94Å
591	R	60.9	Low	61.6	Low	209 Å²	209	115.4 Å²	115.4	79%	0.789	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-4.8	168.4	-77.6	176.6	170.7	-145.9	-5.3	111.9	Q587 I588 H589	Q587-R591 WeakPolarHBondContact O-CD 3.48Å; Q587-R591 VanDerWaalsContact O-CG 3.28Å; Q587-R591 WeakPolarHBondContact O-CG 3.31Å; I588-R591 CarbonylContact O-C 3.16Å; I588-R591 WeakPolarHBondContact O-CA 3.47Å; I588-R591 WeakPolarHBondContact O-CB 3.36Å; I588-R591 PolarHBondContact O-N 3.44Å; H589-R591 PolarHBondContact O-N 3.02Å
592	T	55.4	Low	60.4	Low	44 Å²	44	117.5 Å²	117.5	27%	0.27	53%	0.53	S	S	.	.			trans	-141.7	56.5	-168.3	67.5	0	0	0	0	111	I588 H589 N594 Y595	I588-T592 HydrophobicContact CG2-CG2 4.27Å; I588-T592 PolarHBondContact O-N 3.27Å; I588-T592 VanDerWaalsContact O-N 3.12Å; I588-T592 PolarHBondContact O-OG1 3.4Å; H589-T592 CarbonylContact O-C 3.6Å; H589-T592 PolarHBondContact O-N 2.86Å; T592-N594 PolarHBondContact O-N 3.35Å; T592-N594 VanDerWaalsContact O-N 3.12Å; T592-Y595 PolarHBondContact O-N 3.41Å
593	E	50.9	Low	59	Low	187 Å²	187	124.4 Å²	124.4	87%	0.874	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-23.2	166.5	-68.7	169	160	0	0	110.9
594	N	47.9	Very low	57.6	Low	154 Å²	154	121.3 Å²	121.3	82%	0.824	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.1	173.3	-66.3	-5.4	0	0	0	115.9	T592 S596	T592-N594 PolarHBondContact O-N 3.35Å; T592-N594 VanDerWaalsContact O-N 3.12Å; N594-S596 PolarHBondContact O-N 2.88Å
595	Y	49.7	Very low	56.5	Low	127 Å²	127	117.8 Å²	117.8	50%	0.498	54%	0.543	S	S	.	.			trans	-102	72.1	-179.7	-161.8	-98.7	0	0	0	112.5	T592	T592-Y595 PolarHBondContact O-N 3.41Å
596	S	44.3	Very low	55.3	Low	54 Å²	54	120.8 Å²	120.8	38%	0.378	56%	0.559	S	S	.	*			trans	-63.6	133.7	179.5	-179.3	0	0	0	0	112.7	N594 R598 Q599	N594-S596 PolarHBondContact O-N 2.88Å; S596-R598 PolarHBondContact O-N 3.43Å; S596-R598 PolarHBondContact OG-N 2.96Å; S596-Q599 PolarHBondContact O-N 3.24Å
597	P	49.9	Very low	54.1	Low	99 Å²	99	124.3 Å²	124.3	64%	0.643	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-22.5	174.5	-28.7	36.1	0	0	0	115.4	Q599 R600	P597-Q599 VanDerWaalsContact C-N 3.31Å; P597-Q599 PolarHBondContact O-N 2.68Å; P597-R600 PolarHBondContact O-N 3.36Å
598	R	47.6	Very low	52.6	Low	217 Å²	217	126.9 Å²	126.9	82%	0.819	59%	0.593	S	S	*	*	H	α-helix	trans	-57.8	-39.2	177.8	-78.8	-176.3	170	169.9	-3.4	112.8	S596 R600 K601 L602	S596-R598 PolarHBondContact O-N 3.43Å; S596-R598 PolarHBondContact OG-N 2.96Å; R598-R600 PolarHBondContact O-N 3.32Å; R598-R600 VanDerWaalsContact O-N 3.14Å; R598-K601 PolarHBondContact O-N 2.81Å; R598-L602 PolarHBondContact O-N 3.5Å
599	Q	54	Low	51.4	Low	108 Å²	108	130.2 Å²	130.2	51%	0.505	61%	0.606	S	S	.	*	H	α-helix	trans	-63.3	-22.5	-178.4	-69.4	178.9	-11.3	0	0	113.1	S596 P597 R603	S596-Q599 PolarHBondContact O-N 3.24Å; P597-Q599 VanDerWaalsContact C-N 3.31Å; P597-Q599 PolarHBondContact O-N 2.68Å; Q599-R603 PolarHBondContact O-N 2.85Å
600	R	51.4	Low	50.3	Low	173 Å²	173	134.4 Å²	134.4	65%	0.653	63%	0.629	S	S	*	*	H	α-helix	trans	-75.3	-30.3	175.4	-169.5	173.9	-176.1	167.7	4.1	113.2	P597 R598 N604	P597-R600 PolarHBondContact O-N 3.36Å; R598-R600 PolarHBondContact O-N 3.32Å; R598-R600 VanDerWaalsContact O-N 3.14Å; R600-N604 WeakPolarHBondContact O-CB 3.44Å; R600-N604 PolarHBondContact O-N 3.15Å; R600-N604 PolarHBondContact O-OD1 3.3Å
601	K	49.9	Very low	49.2	Very low	168 Å²	168	134 Å²	134	73%	0.73	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-43.4	171.2	-96.9	-165.6	170.5	-167.1	0	110.6	R598 N604 L605	R598-K601 PolarHBondContact O-N 2.81Å; K601-N604 PolarHBondContact O-N 3.2Å; K601-N604 VanDerWaalsContact O-N 3.11Å; K601-L605 PolarHBondContact O-N 3.1Å; K601-L605 VanDerWaalsContact O-N 3.07Å
602	L	47.7	Very low	47.9	Very low	114 Å²	114	132.5 Å²	132.5	60%	0.597	64%	0.636	S	S	*	*	H	α-helix	trans	-61.4	-47.7	-178.9	-145.7	75.9	0	0	0	112.4	R598 N604 L605 I606	R598-L602 PolarHBondContact O-N 3.5Å; L602-N604 PolarHBondContact O-N 2.99Å; L602-L605 PolarHBondContact O-N 3.43Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L602-I606 WeakPolarHBondContact O-CG1 3.24Å; L602-I606 PolarHBondContact O-N 3.49Å
603	R	47	Very low	47.1	Very low	172 Å²	172	137 Å²	137	65%	0.649	66%	0.659	S	S	*	*	H	α-helix	trans	-66.5	-19.7	176	-175.3	172.7	-75.5	135	-4.4	113.7	Q599 V607	Q599-R603 PolarHBondContact O-N 2.85Å; R603-V607 WeakPolarHBondContact O-CG2 3.33Å
604	N	46.4	Very low	46.8	Very low	99 Å²	99	132.6 Å²	132.6	53%	0.529	65%	0.646	S	S	.	*	H	α-helix	trans	-83.2	-26.3	173.5	-90.2	53.3	0	0	0	112.7	R600 K601 L602	R600-N604 WeakPolarHBondContact O-CB 3.44Å; R600-N604 PolarHBondContact O-N 3.15Å; R600-N604 PolarHBondContact O-OD1 3.3Å; K601-N604 PolarHBondContact O-N 3.2Å; K601-N604 VanDerWaalsContact O-N 3.11Å; L602-N604 PolarHBondContact O-N 2.99Å
605	L	50.5	Low	46.1	Very low	95 Å²	95	132.1 Å²	132.1	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-75.3	-42.6	175.9	-73.5	163.8	0	0	0	111.8	K601 L602 V607 Q608	K601-L605 PolarHBondContact O-N 3.1Å; K601-L605 VanDerWaalsContact O-N 3.07Å; L602-L605 PolarHBondContact O-N 3.43Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L605-V607 PolarHBondContact O-N 3.21Å; L605-Q608 WeakPolarHBondContact O-CB 3.42Å; L605-Q608 PolarHBondContact O-N 3.34Å
606	I	49.5	Very low	45.3	Very low	98 Å²	98	134 Å²	134	50%	0.503	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-15.8	177.5	-63.6	163.4	0	0	0	112.6	L602	L602-I606 WeakPolarHBondContact O-CG1 3.24Å; L602-I606 PolarHBondContact O-N 3.49Å
607	V	47.8	Very low	44.6	Very low	106 Å²	106	136.4 Å²	136.4	64%	0.642	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.3	175.9	178.1	0	0	0	0	112	R603 L605	R603-V607 WeakPolarHBondContact O-CG2 3.33Å; L605-V607 PolarHBondContact O-N 3.21Å
608	Q	43.5	Very low	43.6	Very low	150 Å²	150	141 Å²	141	70%	0.701	69%	0.687	S	S	*	*	S	Bend	trans	-111.8	4.5	176.7	-59.5	-168.7	-104.9	0	0	113.4	L605	L605-Q608 WeakPolarHBondContact O-CB 3.42Å; L605-Q608 PolarHBondContact O-N 3.34Å
609	E	45.9	Very low	42.7	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	68%	0.681	S	S	*	*	S	Bend	trans	-110.3	20.2	-176.2	-65.3	176.1	152.4	0	0	112.7
610	I	49.4	Very low	41.5	Very low	139 Å²	139	135.9 Å²	135.9	71%	0.713	70%	0.696	S	S	*	*	S	Bend	trans	-126.3	-21	-174.8	-63.8	-179.8	0	0	0	113.6
611	D	42.9	Very low	40.5	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	71%	0.706	S	S	*	*	S	Bend	trans	-109.6	88.4	179.3	-72.9	-49.3	0	0	0	111
612	E	34.1	Very low	39.4	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.822	70%	0.703	S	S	*	*			trans	159.5	132.7	163.3	-91.7	176.1	-143.1	0	0	106.2
613	N	37.8	Very low	38.5	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	71%	0.711	S	S	*	*			cis	-154.7	-172.3	7.3	-113.4	-31.7	0	0	0	110.2
614	P	46	Very low	37.6	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	72%	0.721	S	S	*	*			trans	-119.8	-171.5	-139.2	47	-40.6	0	0	0	119
615	D	32.1	Very low	36.7	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	73%	0.731	S	S	*	*			trans	73.5	155.3	154.1	-58.9	-34.6	0	0	0	119.4
616	E	34.3	Very low	35.7	Very low	165 Å²	165	138.1 Å²	138.1	77%	0.771	75%	0.747	S	S	*	*			cis	-154.2	153.5	7.1	-149.4	177.4	-151	0	0	113.8
617	S	29.6	Very low	34.6	Very low	106 Å²	106	140 Å²	140	74%	0.741	76%	0.762	S	S	*	*			trans	63	163.1	158	78.7	0	0	0	0	119.4
618	E	29.1	Very low	33.5	Very low	194 Å²	194	139.1 Å²	139.1	91%	0.907	77%	0.766	S	S	*	*			cis	-141.3	-174.1	-5.9	-145.7	-179.9	-154.6	0	0	110.4
619	A	28.8	Very low	32.6	Very low	85 Å²	85	141.3 Å²	141.3	70%	0.702	77%	0.774	S	S	*	*			trans	-110.7	154.7	-160.5	0	0	0	0	0	116.8
620	T	27.9	Very low	31.5	Very low	134 Å²	134	139.3 Å²	139.3	82%	0.822	78%	0.776	S	S	*	*			trans	-161.3	130.3	140.1	3.8	0	0	0	0	115.6
621	Q	31.2	Very low	30.4	Very low	182 Å²	182	138 Å²	138	85%	0.85	78%	0.779	S	S	*	*			trans	0.9	137.1	152.7	-51.3	170.7	14	0	0	120.6
622	S	27.1	Very low	30	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	78%	0.782	S	S	*	*				158.5	118.7	95.3	-163.2	0	0	0	0	117.7
623	T	28.1	Very low	29.7	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	78%	0.782	S	S	*	*			trans	66.4	148.3	147.3	61.2	0	0	0	0	125.4
624	K	28.5	Very low	29.6	Very low	194 Å²	194	136 Å²	136	84%	0.843	78%	0.781	S	S	*	*			trans	68.4	88.1	147.8	-86.2	-174.4	171.9	-179.3	0	122.7
625	A	27.5	Very low	28.6	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	79%	0.788	S	S	*	*				56.1	148.9	99.2	0	0	0	0	0	123.9
626	Q	29.1	Very low	28.3	Very low	179 Å²	179	132.9 Å²	132.9	84%	0.836	78%	0.784	S	S	*	*			trans	87.9	104.1	151.6	-79.8	178.1	-14.2	0	0	122.4
627	V	25.9	Very low	27.8	Very low	136 Å²	136	129.9 Å²	129.9	82%	0.824	78%	0.781	S	S	*	*				67	149.2	112.8	173.1	0	0	0	0	121
628	A	25.5	Very low	27.9	Very low	88 Å²	88	132.2 Å²	132.2	73%	0.727	78%	0.78	S	S	*	*			trans	75.9	127.7	178.2	0	0	0	0	0	115.2
629	K	24.7	Very low	27.8	Very low	196 Å²	196	131 Å²	131	85%	0.852	78%	0.775	S	S	*	*			cis	93.4	126.4	13.9	-159.3	-174.5	180	-176	0	115.3
630	C	21.9	Very low	27.6	Very low	117 Å²	117	131 Å²	131	79%	0.791	78%	0.775	S	S	*	*			trans	80.2	136.6	175.1	-67.5	0	0	0	0	118.4
631	S	26.8	Very low	27.5	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	77%	0.769	S	S	*	*			trans	-69.3	169.2	165	-27.4	0	0	0	0	111.2
632	P	34.9	Very low	27.2	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	76%	0.763	S	S	*	*				-146.3	175.9	67.9	40.8	-22.1	0	0	0	117.1
633	E	26.6	Very low	27	Very low	178 Å²	178	129 Å²	129	83%	0.832	77%	0.769	S	S	*	*			trans	-63.4	161.6	155.6	-114.5	179.1	-126.4	0	0	110.6
634	P	36.7	Very low	26.8	Very low	112 Å²	112	129.6 Å²	129.6	73%	0.727	77%	0.767	S	S	*	*				-154.3	-179	61.2	42.9	-22.7	0	0	0	117.8
635	A	24	Very low	26.7	Very low	92 Å²	92	125 Å²	125	76%	0.76	76%	0.759	S	S	*	*			trans	54.4	148.1	140.1	0	0	0	0	0	121.4
636	A	25.3	Very low	26.6	Very low	82 Å²	82	126.1 Å²	126.1	68%	0.678	76%	0.762	S	S	*	*			cis	-170.5	-173.1	-10.2	0	0	0	0	0	109
637	S	25.6	Very low	27	Very low	101 Å²	101	124 Å²	124	71%	0.706	76%	0.763	S	S	*	*			trans	76.3	152.6	160.7	-13.9	0	0	0	0	116.1
638	Q	30.2	Very low	26.9	Very low	156 Å²	156	120.6 Å²	120.6	73%	0.729	76%	0.756	S	S	*	*			cis	-164.7	148.4	-6.3	-125.9	163.1	-3	0	0	110.9
639	Q	27	Very low	27	Very low	169 Å²	169	124 Å²	124	79%	0.79	77%	0.768	S	S	*	*			trans	52	155.9	138.5	-76.4	170.2	-38.8	0	0	121.8
640	A	25.3	Very low	26.9	Very low	85 Å²	85	117.4 Å²	117.4	70%	0.702	76%	0.755	S	S	*	*			cis	-165.6	-176.5	-9.6	0	0	0	0	0	111
641	A	24.9	Very low	27.1	Very low	86 Å²	86	119.6 Å²	119.6	71%	0.711	76%	0.759	S	S	*	*			trans	80.2	144.9	158.8	0	0	0	0	0	118.5
642	N	25.6	Very low	27.1	Very low	136 Å²	136	118 Å²	118	73%	0.727	75%	0.747	S	S	*	*			cis	-166	-178.7	-19.6	-113.1	11.4	0	0	0	110
643	D	23.3	Very low	26.7	Very low	148 Å²	148	119.4 Å²	119.4	79%	0.791	74%	0.743	S	S	*	*			trans	70.8	148.4	156.7	-54.8	-26.2	0	0	0	118.8
644	D	23.4	Very low	26.7	Very low	138 Å²	138	118.1 Å²	118.1	74%	0.738	74%	0.742	S	S	*	*			cis	-163.3	170.6	-20.2	175.5	47.7	0	0	0	110.3
645	S	26	Very low	26.2	Very low	97 Å²	97	116.4 Å²	116.4	68%	0.678	74%	0.738	S	S	*	*			trans	83.1	137	152.7	-89.3	0	0	0	0	121.5
646	S	25.8	Very low	26.2	Very low	114 Å²	114	118 Å²	118	80%	0.797	74%	0.738	S	S	*	*			trans	-141.3	150.9	166.2	-69.2	0	0	0	0	108.6
647	P	37.4	Very low	26.2	Very low	134 Å²	134	121 Å²	121	87%	0.87	74%	0.739	S	S	*	*				-141.9	174.7	116.3	35.6	-21.5	0	0	0	112.1
648	G	24.5	Very low	26.4	Very low	65 Å²	65	123.2 Å²	123.2	67%	0.67	74%	0.738	S	S	*	*			cis	142.4	140	-4.1	0	0	0	0	0	112
649	V	26.3	Very low	26.2	Very low	161 Å²	161	123.4 Å²	123.4	98%	0.976	74%	0.739	S	S	*	*			trans	69.3	138.9	176.5	-162.6	0	0	0	0	115.3
650	G	23.7	Very low	26.2	Very low	56 Å²	56	118.7 Å²	118.7	58%	0.577	73%	0.729	S	S	*	*			cis	160.7	156.4	-11.1	0	0	0	0	0	113.2
651	N	25	Very low	26.1	Very low	163 Å²	163	120.5 Å²	120.5	87%	0.872	73%	0.732	S	S	*	*			trans	58.5	158.5	162.8	-73.4	21.4	0	0	0	119.1
652	S	27	Very low	26.2	Very low	78 Å²	78	121.6 Å²	121.6	55%	0.545	73%	0.734	S	S	.	*			cis	-160.7	164	0.5	-126.4	0	0	0	0	111.7
653	Q	28	Very low	26.2	Very low	157 Å²	157	121.4 Å²	121.4	73%	0.734	73%	0.733	S	S	*	*			trans	67.2	124.4	147.1	-75.7	159.5	-50	0	0	118.5
654	D	25.1	Very low	26.4	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	73%	0.731	S	S	*	*				79.2	142.3	69.5	-69	-38.1	0	0	0	112.3
655	A	26.5	Very low	26.7	Very low	77 Å²	77	123.7 Å²	123.7	64%	0.636	74%	0.735	S	S	*	*			cis	-163.2	171.6	8.4	0	0	0	0	0	112.2
656	V	24.9	Very low	26.8	Very low	125 Å²	125	129.5 Å²	129.5	76%	0.758	74%	0.742	S	S	*	*			trans	66.5	140.2	138.4	165.8	0	0	0	0	119
657	M	25.3	Very low	26.8	Very low	144 Å²	144	130.8 Å²	130.8	71%	0.709	74%	0.735	S	S	*	*			cis	-170.1	167.1	-15.8	-108.8	-162.4	-41.3	0	0	109
658	E	28.4	Very low	26.5	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.692	74%	0.735	S	S	*	*			trans	44.5	154.1	140.3	-59.2	-31.8	71.1	0	0	121.6
659	E	26.6	Very low	26.6	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	74%	0.739	S	S	*	*			cis	-151	156.6	-1.8	-126.2	-169.3	138.8	0	0	108.5
660	A	26.5	Very low	27	Very low	70 Å²	70	138.4 Å²	138.4	58%	0.579	73%	0.733	S	S	*	*				51.6	142.1	100.3	0	0	0	0	0	117
661	T	24.6	Very low	27.2	Very low	124 Å²	124	143 Å²	143	76%	0.761	75%	0.75	S	S	*	*			cis	-167.2	167.2	-3	13.7	0	0	0	0	110.3
662	S	26.2	Very low	27.3	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	74%	0.742	S	S	*	*			trans	61.9	162.4	145.2	57.3	0	0	0	0	120.9
663	N	25.9	Very low	27.4	Very low	133 Å²	133	143.5 Å²	143.5	71%	0.711	76%	0.757	S	S	*	*			cis	-166.5	175.9	-44.8	-143.5	34.5	0	0	0	107.6
664	E	27.8	Very low	27.5	Very low	157 Å²	157	142 Å²	142	73%	0.734	76%	0.759	S	S	*	*			trans	65.3	122.1	164.2	-73.1	148.6	-142.9	0	0	117.1
665	E	28.8	Very low	27.5	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	76%	0.759	S	S	*	*				77.8	103	66.4	-73.2	-158.8	170.5	0	0	115.8
666	R	27.8	Very low	27.8	Very low	218 Å²	218	145.7 Å²	145.7	82%	0.823	76%	0.764	S	S	*	*				176.6	142	119.2	-95.2	-179.1	116.6	109.6	8.8	116.9
667	E	26.5	Very low	28	Very low	141 Å²	141	148.4 Å²	148.4	66%	0.659	77%	0.768	S	S	*	*			trans	30	113.2	139.7	-57.8	-175.2	110	0	0	124.6
668	R	30.7	Very low	28.3	Very low	228 Å²	228	149.1 Å²	149.1	86%	0.86	77%	0.774	S	S	*	*				67	148.7	119	-179.3	178.5	-85.5	-116.6	1.4	122.4
669	S	27	Very low	28.4	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	78%	0.781	S	S	*	*			trans	77.4	161.3	163.8	70.6	0	0	0	0	118.2
670	E	34.1	Very low	28.7	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	78%	0.781	S	S	*	*				-168.9	101.1	-53.3	-123.1	178.4	-167.6	0	0	108.9
671	T	28.6	Very low	29	Very low	152 Å²	152	152.5 Å²	152.5	93%	0.933	79%	0.785	S	S	*	*			trans	-159	151.7	171	41	0	0	0	0	110.2
672	G	27.2	Very low	29.2	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	79%	0.787	S	S	*	*			cis	162.7	-2.5	-1.3	0	0	0	0	0	117.9
673	E	30	Very low	29.4	Very low	184 Å²	184	158 Å²	158	86%	0.86	80%	0.796	S	S	*	*			trans	-136.6	134.3	-179.8	-74.7	163.8	-171.5	0	0	108.8
674	T	29.2	Very low	29.5	Very low	126 Å²	126	158 Å²	158	77%	0.773	80%	0.8	S	S	*	*			cis	73	84.3	35.9	74.7	0	0	0	0	116.2
675	F	24.8	Very low	29.8	Very low	184 Å²	184	155.2 Å²	155.2	81%	0.807	80%	0.798	S	S	*	*			trans	-140.8	148.2	137.6	-153.3	-102.8	0	0	0	111.5
676	T	32.6	Very low	29.9	Very low	120 Å²	120	153.8 Å²	153.8	74%	0.736	80%	0.796	S	S	*	*			trans	-124.4	137.7	179.5	50	0	0	0	0	108.9
677	E	28.7	Very low	30.1	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	79%	0.789	S	S	*	*			trans	-142.7	122.7	156.2	-143.7	163.7	-149.7	0	0	112.4
678	L	33	Very low	30.2	Very low	159 Å²	159	150.4 Å²	150.4	83%	0.832	80%	0.795	S	S	*	*			trans	-101.2	140.2	162.2	-80.4	160.5	0	0	0	106.4
679	H	30.1	Very low	30.1	Very low	181 Å²	181	147.2 Å²	147.2	84%	0.838	79%	0.789	S	S	*	*			trans	-136.7	146.7	139.5	-141.4	-86.8	0	0	0	111.9
680	Q	33.1	Very low	30.3	Very low	160 Å²	160	146.8 Å²	146.8	75%	0.748	79%	0.787	S	S	*	*			trans	-125.9	-173.2	-171.4	-164.2	-179.5	-4.7	0	0	108.6
681	T	32.4	Very low	30.2	Very low	109 Å²	109	144.7 Å²	144.7	67%	0.669	79%	0.786	S	S	*	*			trans	80.4	151	170	80.2	0	0	0	0	113.5
682	Q	28.2	Very low	31.1	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	78%	0.777	S	S	*	*			cis	-125	143.5	14.9	-67.2	168.7	-19.2	0	0	113.5
683	L	30.4	Very low	31.3	Very low	180 Å²	180	147 Å²	147	94%	0.942	78%	0.781	S	S	*	*			trans	-97.6	147.7	144.8	-78.1	168.1	0	0	0	106.4
684	V	29.2	Very low	31.8	Very low	133 Å²	133	144.9 Å²	144.9	81%	0.806	77%	0.773	S	S	*	*			trans	-113.7	137.1	176.9	179.9	0	0	0	0	109.4
685	S	33.5	Very low	32.4	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	77%	0.774	S	S	*	*			trans	-151.4	131.1	173.5	56.1	0	0	0	0	108.9
686	D	30.7	Very low	33.1	Very low	147 Å²	147	150.8 Å²	150.8	79%	0.786	79%	0.794	S	S	*	*			trans	-167.3	116.6	154.7	-91.6	-32.8	0	0	0	105.9
687	T	32.8	Very low	33.2	Very low	112 Å²	112	152.4 Å²	152.4	69%	0.687	80%	0.797	S	S	*	*				77.5	114.1	68.3	65.8	0	0	0	0	113.8
688	F	27.4	Very low	33.4	Very low	176 Å²	176	150.8 Å²	150.8	77%	0.772	80%	0.795	S	S	*	*			trans	157	147.6	151.8	-102.9	-126.8	0	0	0	108.3
689	E	29.3	Very low	33.4	Very low	160 Å²	160	150.4 Å²	150.4	75%	0.748	79%	0.793	S	S	*	*			cis	-149.3	-175	-11	-149	177.2	-180	0	0	108.9
690	S	32	Very low	33.6	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	79%	0.79	S	S	*	*			trans	-117.4	126.4	177.3	176.8	0	0	0	0	110.8
691	T	31.9	Very low	33.6	Very low	139 Å²	139	147.9 Å²	147.9	85%	0.853	79%	0.793	S	S	*	*			trans	-125	146.8	165.7	51.6	0	0	0	0	110.2
692	V	45.6	Very low	33.7	Very low	123 Å²	123	150.5 Å²	150.5	75%	0.745	80%	0.801	S	S	*	*			trans	-122.3	134.1	178.9	-175	0	0	0	0	107.2
693	D	32	Very low	34.1	Very low	147 Å²	147	149.2 Å²	149.2	79%	0.786	80%	0.802	S	S	*	*			trans	169.6	150.6	152.2	-83.7	-24.4	0	0	0	105.7
694	M	40.2	Very low	34.4	Very low	138 Å²	138	146.8 Å²	146.8	68%	0.68	79%	0.791	S	S	*	*			cis	125.1	123.4	8.1	-169.6	178.5	89.1	0	0	107.1
695	E	42.7	Very low	34.8	Very low	169 Å²	169	148 Å²	148	79%	0.79	79%	0.79	S	S	*	*			trans	64.2	151.1	-179.3	-68.4	155.1	-173.1	0	0	115.1
696	E	40	Very low	35	Very low	266 Å²	266	152.5 Å²	152.5	100%	1.243	80%	0.8	S	S	*	*			cis	-133.5	0	2.6	-161.4	176.8	-158.4	0	0	110.9

Retrieved 696 of 696 residues in 348.3 ms (Link to these results)

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