A0A3Q0KC67_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB (A0A5K4E9V0), UniProt , Accession A0A3Q0KC67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 705 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	58.4	Low	77.5	Confident	200 Å²	200	124.4 Å²	124.4	99%	0.985	61%	0.613	S	S	*	*				0	-47.6	0	-148.6	178.2	-78.7	0	0	111.2	D3 F4 L5	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.87Å; M1-F4 PolarHBondContact O-N 3Å; M1-L5 PolarHBondContact O-N 3.18Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2	N	67.4	Low	78.1	Confident	129 Å²	129	119.2 Å²	119.2	69%	0.69	59%	0.593	S	S	*	*	H	α-helix	trans	-57.7	-39	173.3	-77.7	-8.8	0	0	0	114	L5 K6	N2-L5 PolarHBondContact O-N 3.27Å; N2-K6 WeakPolarHBondContact O-CB 3.46Å; N2-K6 WeakPolarHBondContact O-CG 3.25Å; N2-K6 PolarHBondContact O-N 2.79Å
3	D	77	Confident	78.3	Confident	115 Å²	115	110.2 Å²	110.2	62%	0.615	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-42.2	-179.8	-57.3	-37	0	0	0	112.5	M1 L5 K6 E7	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.87Å; D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 2.92Å; D3-K6 PolarHBondContact O-N 2.82Å; D3-E7 PolarHBondContact O-N 2.79Å
4	F	81.8	Confident	78.5	Confident	143 Å²	143	104.6 Å²	104.6	63%	0.627	53%	0.533	S	S	*	.	H	α-helix	trans	-59.8	-44.1	173.9	176.6	-95.4	0	0	0	111.8	M1 K6 E7 H8	M1-F4 PolarHBondContact O-N 3Å; F4-K6 VanDerWaalsContact C-N 3.34Å; F4-K6 PolarHBondContact O-N 3.36Å; F4-E7 PolarHBondContact O-N 3.16Å; F4-H8 WeakPolarHBondContact O-CB 3.45Å; F4-H8 PolarHBondContact O-N 2.88Å
5	L	77.3	Confident	78.8	Confident	101 Å²	101	102.1 Å²	102.1	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178.6	-151.5	103.2	0	0	0	111.2	M1 N2 D3 H8 I9	M1-L5 PolarHBondContact O-N 3.18Å; M1-L5 VanDerWaalsContact O-N 3.11Å; N2-L5 PolarHBondContact O-N 3.27Å; D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 2.92Å; L5-H8 PolarHBondContact O-N 3.48Å; L5-I9 HydrophobicContact CD2-CD1 3.88Å; L5-I9 HydrophobicContact CG-CD1 4.27Å; L5-I9 WeakPolarHBondContact O-CB 3.15Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.26Å
6	K	79.9	Confident	79.1	Confident	143 Å²	143	97.9 Å²	97.9	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-46.7	174.9	-78.1	178.7	177.9	-178.8	0	112.1	N2 D3 F4 K10	N2-K6 WeakPolarHBondContact O-CB 3.46Å; N2-K6 WeakPolarHBondContact O-CG 3.25Å; N2-K6 PolarHBondContact O-N 2.79Å; D3-K6 PolarHBondContact O-N 2.82Å; F4-K6 VanDerWaalsContact C-N 3.34Å; F4-K6 PolarHBondContact O-N 3.36Å; K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 PolarHBondContact O-N 2.85Å
7	E	81.1	Confident	79.2	Confident	144 Å²	144	94 Å²	94	67%	0.673	49%	0.485	S	S	*	.	H	α-helix	trans	-63.2	-43.1	176.9	-79.8	-171.6	155.3	0	0	111.8	D3 F4 K10 S11	D3-E7 PolarHBondContact O-N 2.79Å; F4-E7 PolarHBondContact O-N 3.16Å; E7-K10 PolarHBondContact O-N 3.44Å; E7-S11 PolarHBondContact O-N 2.91Å
8	H	82.6	Confident	79.5	Confident	107 Å²	107	95.4 Å²	95.4	50%	0.495	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-47.1	178.5	-175.6	59.4	0	0	0	111.9	F4 L5 K10 S11 V12	F4-H8 WeakPolarHBondContact O-CB 3.45Å; F4-H8 PolarHBondContact O-N 2.88Å; L5-H8 PolarHBondContact O-N 3.48Å; H8-K10 VanDerWaalsContact C-N 3.27Å; H8-K10 PolarHBondContact O-N 3.38Å; H8-S11 PolarHBondContact O-N 2.87Å; H8-V12 WeakPolarHBondContact O-CG2 3.48Å; H8-V12 PolarHBondContact O-N 3.37Å
9	I	82	Confident	79.7	Confident	80 Å²	80	93.4 Å²	93.4	41%	0.41	48%	0.479	S	S	.	.	H	α-helix	trans	-58.2	-43.6	175.3	-69.9	166	0	0	0	110.1	L5 V12 S13	L5-I9 HydrophobicContact CD2-CD1 3.88Å; L5-I9 HydrophobicContact CG-CD1 4.27Å; L5-I9 WeakPolarHBondContact O-CB 3.15Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.26Å; I9-V12 PolarHBondContact O-N 2.9Å; I9-S13 VanDerWaalsContact O-CB 3.26Å; I9-S13 WeakPolarHBondContact O-CB 3.15Å; I9-S13 PolarHBondContact O-N 3.28Å; I9-S13 PolarHBondContact O-OG 3.45Å
10	K	81.5	Confident	79.8	Confident	130 Å²	130	89.3 Å²	89.3	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-47.2	178.3	-168.4	168.7	-172.1	178.7	0	111.8	K6 E7 H8 S13 G14	K6-K10 WeakPolarHBondContact O-CB 3.44Å; K6-K10 PolarHBondContact O-N 2.85Å; E7-K10 PolarHBondContact O-N 3.44Å; H8-K10 VanDerWaalsContact C-N 3.27Å; H8-K10 PolarHBondContact O-N 3.38Å; K10-S13 WeakPolarHBondContact CA-OG 3.33Å; K10-S13 PolarHBondContact O-N 3.16Å; K10-S13 PolarHBondContact O-OG 3.29Å; K10-G14 PolarHBondContact O-N 3.49Å
11	S	84	Confident	79.9	Confident	76 Å²	76	91.7 Å²	91.7	53%	0.531	47%	0.468	S	S	.	.	H	α-helix	trans	-60.4	-48.9	176.5	-174.8	0	0	0	0	111.9	E7 H8 S13 G14 T15	E7-S11 PolarHBondContact O-N 2.91Å; H8-S11 PolarHBondContact O-N 2.87Å; S11-S13 PolarHBondContact O-N 3.16Å; S11-G14 PolarHBondContact O-N 3.41Å; S11-T15 PolarHBondContact O-N 2.88Å; S11-T15 VanDerWaalsContact O-N 3.12Å; S11-T15 PolarHBondContact O-OG1 3.45Å
12	V	84.4	Confident	81.1	Confident	62 Å²	62	89.1 Å²	89.1	38%	0.376	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-43.3	-179.5	172.5	0	0	0	0	110.8	H8 I9 G14 T15 V16	H8-V12 WeakPolarHBondContact O-CG2 3.48Å; H8-V12 PolarHBondContact O-N 3.37Å; I9-V12 PolarHBondContact O-N 2.9Å; V12-G14 VanDerWaalsContact C-N 3.32Å; V12-G14 PolarHBondContact O-N 3.27Å; V12-T15 PolarHBondContact O-N 3.18Å; V12-V16 HydrophobicContact CG1-CG2 4.25Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 3.18Å
13	S	80.5	Confident	81.6	Confident	3 Å²	3	84.3 Å²	84.3	2%	0.021	43%	0.434	C	S	.	.	H	α-helix	trans	-62.6	-36.8	177.7	63.1	0	0	0	0	113	I9 K10 S11 V16 L17 Q91	I9-S13 VanDerWaalsContact O-CB 3.26Å; I9-S13 WeakPolarHBondContact O-CB 3.15Å; I9-S13 PolarHBondContact O-N 3.28Å; I9-S13 PolarHBondContact O-OG 3.45Å; K10-S13 WeakPolarHBondContact CA-OG 3.33Å; K10-S13 PolarHBondContact O-N 3.16Å; K10-S13 PolarHBondContact O-OG 3.29Å; S11-S13 PolarHBondContact O-N 3.16Å; S13-V16 PolarHBondContact O-N 3.46Å; S13-L17 PolarHBondContact O-N 3.4Å; S13-Q91 VanDerWaalsContact OG-CG 3.24Å; S13-Q91 WeakPolarHBondContact OG-CG 3.33Å
14	G	81.5	Confident	81.4	Confident	31 Å²	31	81.7 Å²	81.7	32%	0.32	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-48.1	173.6	0	0	0	0	0	111.9	K10 S11 V12 V16 L17 E18	K10-G14 PolarHBondContact O-N 3.49Å; S11-G14 PolarHBondContact O-N 3.41Å; V12-G14 VanDerWaalsContact C-N 3.32Å; V12-G14 PolarHBondContact O-N 3.27Å; G14-V16 PolarHBondContact O-N 2.95Å; G14-L17 PolarHBondContact O-N 3.06Å; G14-E18 PolarHBondContact O-N 3.12Å
15	T	82.6	Confident	81.3	Confident	68 Å²	68	82.1 Å²	82.1	42%	0.417	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-37.7	177.5	-50.1	0	0	0	0	112.4	S11 V12 L17 E18 L19	S11-T15 PolarHBondContact O-N 2.88Å; S11-T15 VanDerWaalsContact O-N 3.12Å; S11-T15 PolarHBondContact O-OG1 3.45Å; V12-T15 PolarHBondContact O-N 3.18Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-E18 PolarHBondContact O-N 3.25Å; T15-L19 HydrophobicContact CG2-CD1 4.09Å; T15-L19 HydrophobicContact CG2-CG 4.4Å; T15-L19 WeakPolarHBondContact O-CB 3.27Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å
16	V	83.3	Confident	81.4	Confident	35 Å²	35	78.4 Å²	78.4	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-43.5	175.3	168.4	0	0	0	0	110.9	V12 S13 G14 L19 I20 L43 I89	V12-V16 HydrophobicContact CG1-CG2 4.25Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 3.18Å; S13-V16 PolarHBondContact O-N 3.46Å; G14-V16 PolarHBondContact O-N 2.95Å; V16-L19 PolarHBondContact O-N 3.38Å; V16-I20 HydrophobicContact CG1-CD1 3.73Å; V16-I20 HydrophobicContact CG1-CG1 4.46Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 3Å; V16-L43 HydrophobicContact CG1-CD1 3.78Å; V16-I89 HydrophobicContact CB-CD1 4.44Å; V16-I89 HydrophobicContact CG1-CD1 4.41Å; V16-I89 HydrophobicContact CG2-CD1 4.41Å
17	L	81.8	Confident	81.7	Confident	31 Å²	31	74.8 Å²	74.8	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.8	-176.3	65.9	0	0	0	111.6	S13 G14 T15 I20 Q21 L84 N87	S13-L17 PolarHBondContact O-N 3.4Å; G14-L17 PolarHBondContact O-N 3.06Å; T15-L17 VanDerWaalsContact C-N 3.34Å; L17-I20 PolarHBondContact O-N 3.02Å; L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.27Å; L17-Q21 PolarHBondContact O-N 3.4Å; L17-L84 HydrophobicContact CD1-CD1 4.22Å; L17-N87 HydrophobicContact CD1-CB 3.81Å
18	E	83.5	Confident	81.9	Confident	119 Å²	119	68 Å²	68	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-48.5	175.8	-73.4	174.1	178.1	0	0	111.5	G14 T15 I20 Q21 E22	G14-E18 PolarHBondContact O-N 3.12Å; T15-E18 PolarHBondContact O-N 3.25Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.23Å; E18-Q21 WeakPolarHBondContact O-CB 3.38Å; E18-Q21 PolarHBondContact O-N 3.29Å; E18-Q21 VanDerWaalsContact O-N 3.15Å; E18-E22 WeakPolarHBondContact O-CG 3.48Å; E18-E22 PolarHBondContact O-N 3Å
19	L	83.9	Confident	82.1	Confident	57 Å²	57	64 Å²	64	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-41.3	179.2	-72.3	169.8	0	0	0	112.5	T15 V16 E22 G23 V24	T15-L19 HydrophobicContact CG2-CD1 4.09Å; T15-L19 HydrophobicContact CG2-CG 4.4Å; T15-L19 WeakPolarHBondContact O-CB 3.27Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å; V16-L19 PolarHBondContact O-N 3.38Å; L19-E22 PolarHBondContact O-N 3.4Å; L19-G23 PolarHBondContact O-N 3.15Å; L19-V24 HydrophobicContact CB-CB 4.47Å; L19-V24 HydrophobicContact CD2-CB 4.19Å; L19-V24 HydrophobicContact CD2-CG1 4.34Å; L19-V24 PolarHBondContact O-N 3.02Å
20	I	82	Confident	82.4	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-38.9	176.8	-67.4	167.2	0	0	0	111	V16 L17 E18 E22 G23 L43 N87	V16-I20 HydrophobicContact CG1-CD1 3.73Å; V16-I20 HydrophobicContact CG1-CG1 4.46Å; V16-I20 VanDerWaalsContact O-CG1 3.27Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 3Å; L17-I20 PolarHBondContact O-N 3.02Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 3.23Å; I20-E22 VanDerWaalsContact C-N 3.32Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 3.36Å; I20-L43 HydrophobicContact CD1-CD1 3.38Å; I20-N87 HydrophobicContact CD1-CB 4.12Å
21	Q	81.2	Confident	82.7	Confident	141 Å²	141	54.3 Å²	54.3	66%	0.659	30%	0.301	S	S	*	.	H	α-helix	trans	-65.1	-36.4	176.3	-75	177.2	-5	0	0	112.2	L17 E18 G23	L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.27Å; L17-Q21 PolarHBondContact O-N 3.4Å; E18-Q21 WeakPolarHBondContact O-CB 3.38Å; E18-Q21 PolarHBondContact O-N 3.29Å; E18-Q21 VanDerWaalsContact O-N 3.15Å; Q21-G23 PolarHBondContact O-N 2.94Å
22	E	83.1	Confident	82.7	Confident	145 Å²	145	50.7 Å²	50.7	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.3	171.9	-68.7	-177.7	169.6	0	0	113.1	E18 L19 I20 V24	E18-E22 WeakPolarHBondContact O-CG 3.48Å; E18-E22 PolarHBondContact O-N 3Å; L19-E22 PolarHBondContact O-N 3.4Å; I20-E22 VanDerWaalsContact C-N 3.32Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 HydrophobicContact CB-CG2 3.91Å
23	G	78	Confident	82.5	Confident	29 Å²	29	52.6 Å²	52.6	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	13	-177.1	0	0	0	0	0	113.7	L19 I20 Q21 S26	L19-G23 PolarHBondContact O-N 3.15Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 3.36Å; Q21-G23 PolarHBondContact O-N 2.94Å; G23-S26 WeakPolarHBondContact CA-OG 3.21Å; G23-S26 PolarHBondContact O-OG 3.41Å
24	V	74.4	Confident	82.5	Confident	59 Å²	59	55.5 Å²	55.5	36%	0.358	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	124.9	177.6	-168.1	0	0	0	0	108.1	L19 E22 S26	L19-V24 HydrophobicContact CB-CB 4.47Å; L19-V24 HydrophobicContact CD2-CB 4.19Å; L19-V24 HydrophobicContact CD2-CG1 4.34Å; L19-V24 PolarHBondContact O-N 3.02Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 HydrophobicContact CB-CG2 3.91Å; V24-S26 PolarHBondContact O-N 3.27Å
25	F	78.1	Confident	82.7	Confident	152 Å²	152	60 Å²	60	67%	0.667	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	10	-173	-49.3	-75.5	0	0	0	116.2	N27 N40	F25-N27 PolarHBondContact O-N 3.37Å; F25-N27 VanDerWaalsContact O-N 3.16Å; F25-N40 PolarHBondContact O-ND2 3.12Å
26	S	81.1	Confident	83	Confident	24 Å²	24	61.6 Å²	61.6	17%	0.168	33%	0.333	C	S	.	.			trans	-76	102.5	170.5	57	0	0	0	0	109.9	G23 V24 S39	G23-S26 WeakPolarHBondContact CA-OG 3.21Å; G23-S26 PolarHBondContact O-OG 3.41Å; V24-S26 PolarHBondContact O-N 3.27Å; S26-S39 CarbonylContact C-O 3.53Å; S26-S39 VanDerWaalsContact CA-O 3.27Å; S26-S39 WeakPolarHBondContact CA-O 3.22Å
27	N	84.4	Confident	83.1	Confident	66 Å²	66	61.9 Å²	61.9	35%	0.353	33%	0.331	S	S	.	.			trans	-106.5	0.6	-178.9	65.6	-17.1	0	0	0	113.2	F25 S39 N40 S41 P65	F25-N27 PolarHBondContact O-N 3.37Å; F25-N27 VanDerWaalsContact O-N 3.16Å; N27-S39 PolarHBondContact N-O 3.31Å; N27-N40 VanDerWaalsContact OD1-CA 3.27Å; N27-N40 WeakPolarHBondContact OD1-CA 3.48Å; N27-S41 PolarHBondContact ND2-OG 2.88Å; N27-S41 PolarHBondContact OD1-N 3.48Å; N27-P65 WeakPolarHBondContact O-CD 3.2Å
28	V	86.4	Confident	83.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.7	178.2	-177.3	0	0	0	0	109.9	V30 S39 L44 F55 P65 L67	V28-V30 HydrophobicContact CG1-CG2 4.35Å; V28-S39 PolarHBondContact N-O 3.34Å; V28-S39 PolarHBondContact O-N 2.89Å; V28-S39 VanDerWaalsContact O-O 3.13Å; V28-L44 HydrophobicContact CB-CD1 4.34Å; V28-L44 HydrophobicContact CG1-CD1 4.12Å; V28-F55 HydrophobicContact CG1-CE1 4.27Å; V28-F55 HydrophobicContact CG1-CZ 4.09Å; V28-F55 HydrophobicContact CG2-CE1 4.03Å; V28-F55 HydrophobicContact CG2-CZ 3.95Å; V28-P65 HydrophobicContact CG1-CG 4.39Å; V28-P65 HydrophobicContact CG2-CG 3.91Å; V28-L67 HydrophobicContact CG1-CD1 3.79Å; V28-L67 HydrophobicContact CG1-CG 4.23Å
29	T	87.4	Confident	83.6	Confident	24 Å²	24	60.2 Å²	60.2	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.1	170.5	-56.9	0	0	0	0	109.4	V31 E36 F37 P65 R66 L67	T29-V31 HydrophobicContact CG2-CG2 4.18Å; T29-E36 HydrophobicContact CG2-CB 3.88Å; T29-E36 HydrophobicContact CG2-CG 4.41Å; T29-F37 WeakPolarHBondContact CA-O 3.48Å; T29-P65 PolarHBondContact N-O 3.49Å; T29-R66 CarbonylContact O-C 3.59Å; T29-R66 WeakPolarHBondContact O-CA 3.4Å; T29-L67 PolarHBondContact O-N 3.42Å
30	V	87.4	Confident	83.9	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.4	175.4	-177.2	0	0	0	0	108.6	V28 F37 L44 F51 L67 I69 L79 M83	V28-V30 HydrophobicContact CG1-CG2 4.35Å; V30-F37 HydrophobicContact CB-CB 4.5Å; V30-F37 PolarHBondContact N-O 3.18Å; V30-F37 PolarHBondContact O-N 3.2Å; V30-L44 HydrophobicContact CG2-CD1 4.08Å; V30-F51 HydrophobicContact CG1-CZ 4.4Å; V30-F51 HydrophobicContact CG2-CE1 4.14Å; V30-F51 HydrophobicContact CG2-CZ 4.1Å; V30-L67 CarbonylContact C-O 3.56Å; V30-L67 WeakPolarHBondContact CA-O 3.47Å; V30-I69 HydrophobicContact CG1-CD1 3.49Å; V30-I69 VanDerWaalsContact CG1-CD1 3.49Å; V30-I69 HydrophobicContact CG1-CG1 4.01Å; V30-L79 HydrophobicContact CG1-CD2 4.23Å; V30-M83 HydrophobicContact CG2-CE 4.2Å; V30-M83 HydrophobicContact CG2-SD 4.43Å
31	V	87.6	Confident	84.1	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.6	-176.9	-173.2	0	0	0	0	109.9	T29 Y35 E36 R66 L67 E68 I69	T29-V31 HydrophobicContact CG2-CG2 4.18Å; V31-Y35 VanDerWaalsContact CA-O 3.26Å; V31-Y35 WeakPolarHBondContact CA-O 2.99Å; V31-E36 HydrophobicContact CG1-CG 4.47Å; V31-E36 HydrophobicContact CG2-CG 4.02Å; V31-R66 HydrophobicContact CG2-CG 3.82Å; V31-L67 PolarHBondContact N-O 3.48Å; V31-E68 HydrophobicContact CB-CG 4.49Å; V31-E68 CarbonylContact O-C 3.59Å; V31-E68 WeakPolarHBondContact O-CA 3.3Å; V31-I69 PolarHBondContact O-N 3.18Å
32	I	85.3	Confident	84.4	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.6	169.8	-161	164.7	0	0	0	109.7	G34 Y35 F37 I69 V74 H76 L79	I32-G34 PolarHBondContact O-N 3.26Å; I32-Y35 PolarHBondContact N-O 2.67Å; I32-Y35 PolarHBondContact O-N 3.27Å; I32-F37 HydrophobicContact CG2-CE2 4.06Å; I32-I69 HydrophobicContact CD1-CG2 4.35Å; I32-V74 HydrophobicContact CD1-CB 3.82Å; I32-V74 HydrophobicContact CD1-CG1 3.66Å; I32-V74 WeakPolarHBondContact CD1-O 3.33Å; I32-H76 HydrophobicContact CG2-CB 4.18Å; I32-L79 HydrophobicContact CB-CD2 3.64Å; I32-L79 HydrophobicContact CD1-CD2 4.11Å; I32-L79 HydrophobicContact CG1-CD2 4.5Å; I32-L79 HydrophobicContact CG2-CB 4.33Å; I32-L79 HydrophobicContact CG2-CD2 3.37Å; I32-L79 HydrophobicContact CG2-CG 4.44Å
33	S	78.7	Confident	84.7	Confident	102 Å²	102	54.1 Å²	54.1	71%	0.713	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	35.1	176.2	-57.2	0	0	0	0	114.4
34	G	80.6	Confident	85.3	Confident	63 Å²	63	52.8 Å²	52.8	65%	0.649	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-7.8	-178.7	0	0	0	0	0	116.4	I32	I32-G34 PolarHBondContact O-N 3.26Å
35	Y	86	Confident	86	Confident	125 Å²	125	51 Å²	51	49%	0.49	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.5	173.8	-66.6	-86.7	0	0	0	110.9	V31 I32 H76	V31-Y35 VanDerWaalsContact CA-O 3.26Å; V31-Y35 WeakPolarHBondContact CA-O 2.99Å; I32-Y35 PolarHBondContact N-O 2.67Å; I32-Y35 PolarHBondContact O-N 3.27Å; Y35-H76 HydrophobicContact CD2-CB 3.85Å; Y35-H76 HydrophobicContact CE2-CB 4.2Å; Y35-H76 AromaticContact CE2-CD2 3.96Å; Y35-H76 AromaticContact CE2-CG 3.98Å; Y35-H76 HydrophobicContact CG-CB 4.43Å
36	E	88	Confident	86.5	Confident	102 Å²	102	47.8 Å²	47.8	48%	0.477	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.2	-178	-57.5	-173.3	-175	0	0	111.4	T29 V31 R66	T29-E36 HydrophobicContact CG2-CB 3.88Å; T29-E36 HydrophobicContact CG2-CG 4.41Å; V31-E36 HydrophobicContact CG1-CG 4.47Å; V31-E36 HydrophobicContact CG2-CG 4.02Å; E36-R66 VanDerWaalsContact CD-NH1 3.3Å; E36-R66 IonicContact OE1-CZ 3.52Å; E36-R66 IonicContact OE1-NH1 2.65Å; E36-R66 PolarHBondContact OE1-NH1 2.57Å; E36-R66 IonicContact OE1-NH2 3.09Å; E36-R66 PolarHBondContact OE1-NH2 3.37Å; E36-R66 IonicContact OE2-NH1 2.67Å
37	F	87.5	Confident	87	Confident	41 Å²	41	48.5 Å²	48.5	18%	0.18	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.4	178.6	-60.1	-83.4	0	0	0	109.9	T29 V30 I32 L79 M83	T29-F37 WeakPolarHBondContact CA-O 3.48Å; V30-F37 HydrophobicContact CB-CB 4.5Å; V30-F37 PolarHBondContact N-O 3.18Å; V30-F37 PolarHBondContact O-N 3.2Å; I32-F37 HydrophobicContact CG2-CE2 4.06Å; F37-L79 HydrophobicContact CD2-CD2 3.94Å; F37-L79 HydrophobicContact CD2-CG 4.43Å; F37-L79 HydrophobicContact CE2-CD2 3.93Å; F37-L79 HydrophobicContact CE2-CG 4.33Å; F37-M83 HydrophobicContact CB-CB 4.41Å; F37-M83 HydrophobicContact CB-CE 4.06Å; F37-M83 HydrophobicContact CB-CG 3.97Å; F37-M83 HydrophobicContact CD1-CB 4.29Å; F37-M83 HydrophobicContact CD1-CG 4.36Å; F37-M83 HydrophobicContact CG-CB 4.46Å; F37-M83 HydrophobicContact CG-CG 4.07Å
38	K	87	Confident	87.4	Confident	116 Å²	116	45.4 Å²	45.4	50%	0.504	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.5	176.1	-66.2	-173.6	-179.8	-175.4	0	110.9	N87	K38-N87 PolarHBondContact O-ND2 2.83Å
39	S	88.5	Confident	87.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-175.3	176.8	-167.8	0	0	0	0	111.1	S26 N27 V28 N87	S26-S39 CarbonylContact C-O 3.53Å; S26-S39 VanDerWaalsContact CA-O 3.27Å; S26-S39 WeakPolarHBondContact CA-O 3.22Å; N27-S39 PolarHBondContact N-O 3.31Å; V28-S39 PolarHBondContact N-O 3.34Å; V28-S39 PolarHBondContact O-N 2.89Å; V28-S39 VanDerWaalsContact O-O 3.13Å; S39-N87 WeakPolarHBondContact CB-OD1 3.27Å; S39-N87 PolarHBondContact OG-OD1 3.41Å
40	N	88.5	Confident	87.8	Confident	32 Å²	32	49.6 Å²	49.6	17%	0.171	28%	0.279	C	S	.	.			trans	-110.1	134.2	176.6	-175.2	-78.4	0	0	0	110.4	F25 N27 L42 L43 L44	F25-N40 PolarHBondContact O-ND2 3.12Å; N27-N40 VanDerWaalsContact OD1-CA 3.27Å; N27-N40 WeakPolarHBondContact OD1-CA 3.48Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 2.89Å; N40-L42 WeakPolarHBondContact OD1-CA 3.5Å; N40-L42 WeakPolarHBondContact OD1-CB 3.36Å; N40-L42 PolarHBondContact OD1-N 3.11Å; N40-L43 HydrophobicContact CB-CB 4.33Å; N40-L43 HydrophobicContact CB-CD1 4.03Å; N40-L43 HydrophobicContact CB-CG 4.18Å; N40-L43 PolarHBondContact O-N 2.76Å; N40-L43 VanDerWaalsContact O-N 3.16Å; N40-L44 PolarHBondContact O-N 3.16Å
41	S	87.3	Confident	87.9	Confident	34 Å²	34	49.6 Å²	49.6	24%	0.238	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-36.5	-179.2	59.5	0	0	0	0	113	N27 A45 F55	N27-S41 PolarHBondContact ND2-OG 2.88Å; N27-S41 PolarHBondContact OD1-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.34Å; S41-A45 PolarHBondContact O-N 3.02Å; S41-F55 WeakPolarHBondContact O-CE2 3.49Å
42	L	87.4	Confident	88	Confident	130 Å²	130	56.3 Å²	56.3	68%	0.681	30%	0.304	S	S	*	.	H	α-helix	trans	-66.6	-44.1	178.2	-176.7	65.4	0	0	0	110.9	N40 A45 S46	N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 2.89Å; N40-L42 WeakPolarHBondContact OD1-CA 3.5Å; N40-L42 WeakPolarHBondContact OD1-CB 3.36Å; N40-L42 PolarHBondContact OD1-N 3.11Å; L42-A45 PolarHBondContact O-N 3.39Å; L42-S46 WeakPolarHBondContact O-CB 3.26Å; L42-S46 PolarHBondContact O-N 3.33Å; L42-S46 PolarHBondContact O-OG 3.38Å; L42-S46 VanDerWaalsContact O-OG 3.12Å
43	L	88.9	Confident	88.2	Confident	30 Å²	30	59 Å²	59	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-47	178	-70.4	175.4	0	0	0	111	V16 I20 N40 S46 S47 I86	V16-L43 HydrophobicContact CG1-CD1 3.78Å; I20-L43 HydrophobicContact CD1-CD1 3.38Å; N40-L43 HydrophobicContact CB-CB 4.33Å; N40-L43 HydrophobicContact CB-CD1 4.03Å; N40-L43 HydrophobicContact CB-CG 4.18Å; N40-L43 PolarHBondContact O-N 2.76Å; N40-L43 VanDerWaalsContact O-N 3.16Å; L43-S46 WeakPolarHBondContact CA-OG 3.39Å; L43-S46 PolarHBondContact O-N 2.84Å; L43-S46 PolarHBondContact O-OG 3.25Å; L43-S47 WeakPolarHBondContact O-CB 3.44Å; L43-S47 PolarHBondContact O-N 2.99Å; L43-S47 VanDerWaalsContact O-N 3.12Å; L43-S47 PolarHBondContact O-OG 3.14Å; L43-S47 VanDerWaalsContact O-OG 3.14Å; L43-I86 HydrophobicContact CB-CG2 4.25Å
44	L	90.3	Very high	88.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-50.2	176.3	-71.7	171.3	0	0	0	111.7	V28 V30 N40 S46 S47 S48 F51 F55 M83 I86	V28-L44 HydrophobicContact CB-CD1 4.34Å; V28-L44 HydrophobicContact CG1-CD1 4.12Å; V30-L44 HydrophobicContact CG2-CD1 4.08Å; N40-L44 PolarHBondContact O-N 3.16Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.39Å; L44-S47 PolarHBondContact O-N 3.44Å; L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 3.41Å; L44-F51 HydrophobicContact CB-CB 3.93Å; L44-F51 HydrophobicContact CB-CD2 3.89Å; L44-F51 HydrophobicContact CB-CG 3.92Å; L44-F51 HydrophobicContact CD2-CD2 3.67Å; L44-F51 HydrophobicContact CD2-CE2 3.59Å; L44-F51 HydrophobicContact CD2-CG 4.38Å; L44-F51 HydrophobicContact CD2-CZ 4.23Å; L44-F51 HydrophobicContact CG-CD2 4.26Å; L44-F55 HydrophobicContact CB-CE2 3.82Å; L44-F55 HydrophobicContact CB-CZ 4.36Å; L44-F55 HydrophobicContact CD1-CE2 4.39Å; L44-F55 HydrophobicContact CD1-CZ 4.1Å; L44-M83 HydrophobicContact CD2-CE 3.8Å; L44-M83 HydrophobicContact CD2-SD 3.86Å; L44-I86 HydrophobicContact CD2-CD1 3.9Å; L44-I86 HydrophobicContact CD2-CG2 4.06Å
45	A	89.5	Confident	88.8	Confident	22 Å²	22	54.8 Å²	54.8	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-32.3	179	0	0	0	0	0	113.5	S41 L42 R52 F55	S41-A45 WeakPolarHBondContact O-CB 3.34Å; S41-A45 PolarHBondContact O-N 3.02Å; L42-A45 PolarHBondContact O-N 3.39Å; A45-R52 HydrophobicContact CB-CB 4.33Å; A45-R52 HydrophobicContact CB-CG 4.45Å; A45-R52 WeakPolarHBondContact O-CB 3.49Å; A45-F55 HydrophobicContact CB-CD2 4Å
46	S	89.6	Confident	88.6	Confident	85 Å²	85	52.4 Å²	52.4	59%	0.594	28%	0.281	S	S	*	.	H	α-helix	trans	-74.3	-29.8	179.2	68.9	0	0	0	0	113.2	L42 L43 L44	L42-S46 WeakPolarHBondContact O-CB 3.26Å; L42-S46 PolarHBondContact O-N 3.33Å; L42-S46 PolarHBondContact O-OG 3.38Å; L42-S46 VanDerWaalsContact O-OG 3.12Å; L43-S46 WeakPolarHBondContact CA-OG 3.39Å; L43-S46 PolarHBondContact O-N 2.84Å; L43-S46 PolarHBondContact O-OG 3.25Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.39Å
47	S	90.5	Very high	87.9	Confident	39 Å²	39	56.7 Å²	56.7	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-102	-18.9	-173.4	-56.1	0	0	0	0	113.7	L43 L44	L43-S47 WeakPolarHBondContact O-CB 3.44Å; L43-S47 PolarHBondContact O-N 2.99Å; L43-S47 VanDerWaalsContact O-N 3.12Å; L43-S47 PolarHBondContact O-OG 3.14Å; L43-S47 VanDerWaalsContact O-OG 3.14Å; L44-S47 PolarHBondContact O-N 3.44Å
48	S	93.3	Very high	87.1	Confident	1 Å²	1	58 Å²	58	1%	0.007	31%	0.305	C	S	.	.			trans	-134.5	122.1	-173.6	162.3	0	0	0	0	110.6	L44 Y50 F51 R52 L111	L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 3.41Å; S48-Y50 VanDerWaalsContact C-N 3.25Å; S48-Y50 PolarHBondContact O-N 2.89Å; S48-Y50 PolarHBondContact OG-N 2.98Å; S48-F51 PolarHBondContact O-N 3.28Å; S48-F51 VanDerWaalsContact OG-CD2 3.28Å; S48-F51 WeakPolarHBondContact OG-CD2 3.39Å; S48-F51 PolarHBondContact OG-N 3.08Å; S48-F51 VanDerWaalsContact OG-N 3.15Å; S48-R52 WeakPolarHBondContact O-CB 3.48Å; S48-R52 PolarHBondContact O-N 2.63Å; S48-L111 WeakPolarHBondContact CB-O 3.41Å; S48-L111 PolarHBondContact OG-O 3.28Å
49	D	91.7	Very high	86	Confident	42 Å²	42	60.1 Å²	60.1	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-31.8	175.1	-76.6	-35.8	0	0	0	111.7	R52 A53 Q112 H114	D49-R52 PolarHBondContact O-N 2.96Å; D49-R52 IonicContact OD1-CZ 2.73Å; D49-R52 IonicContact OD1-NE 3.39Å; D49-R52 IonicContact OD1-NH1 2.75Å; D49-R52 PolarHBondContact OD1-NH1 2.77Å; D49-R52 VanDerWaalsContact OD1-NH1 3.08Å; D49-R52 IonicContact OD1-NH2 3.02Å; D49-R52 PolarHBondContact OD1-NH2 3.03Å; D49-A53 WeakPolarHBondContact O-CB 3.24Å; D49-A53 PolarHBondContact O-N 3.24Å; D49-Q112 HydrophobicContact CB-CB 4Å; D49-Q112 VanDerWaalsContact CB-OE1 3.23Å; D49-Q112 PolarHBondContact N-O 2.93Å; D49-H114 IonicContact OD2-CD2 2.95Å; D49-H114 PolarHBondContact OD2-CD2 3.42Å; D49-H114 IonicContact OD2-CE1 2.64Å; D49-H114 IonicContact OD2-NE2 3.08Å; D49-H114 PolarHBondContact OD2-NE2 2.66Å
50	Y	90.7	Very high	84.4	Confident	72 Å²	72	67.8 Å²	67.8	28%	0.282	36%	0.358	S	S	.	.	H	α-helix	trans	-58.5	-53.2	174.2	176.2	-92.3	0	0	0	111.3	S48 R52 A53 L54 L111	S48-Y50 VanDerWaalsContact C-N 3.25Å; S48-Y50 PolarHBondContact O-N 2.89Å; S48-Y50 PolarHBondContact OG-N 2.98Å; Y50-R52 VanDerWaalsContact C-N 3.34Å; Y50-R52 PolarHBondContact O-N 2.95Å; Y50-A53 PolarHBondContact O-N 2.65Å; Y50-L54 HydrophobicContact CE1-CD2 4.2Å; Y50-L54 WeakPolarHBondContact O-CB 3.28Å; Y50-L54 PolarHBondContact O-N 3.08Å; Y50-L111 WeakPolarHBondContact CB-O 3.47Å; Y50-L111 HydrophobicContact CD1-CD2 3.81Å; Y50-L111 HydrophobicContact CE1-CD2 4.2Å; Y50-L111 HydrophobicContact CG-CD2 4.34Å
51	F	89.7	Confident	82.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-67.5	-36.1	178.8	-71.8	-57	0	0	0	111.8	V30 L44 S48 A53 L54 F55 L67 I69 L111	V30-F51 HydrophobicContact CG1-CZ 4.4Å; V30-F51 HydrophobicContact CG2-CE1 4.14Å; V30-F51 HydrophobicContact CG2-CZ 4.1Å; L44-F51 HydrophobicContact CB-CB 3.93Å; L44-F51 HydrophobicContact CB-CD2 3.89Å; L44-F51 HydrophobicContact CB-CG 3.92Å; L44-F51 HydrophobicContact CD2-CD2 3.67Å; L44-F51 HydrophobicContact CD2-CE2 3.59Å; L44-F51 HydrophobicContact CD2-CG 4.38Å; L44-F51 HydrophobicContact CD2-CZ 4.23Å; L44-F51 HydrophobicContact CG-CD2 4.26Å; S48-F51 PolarHBondContact O-N 3.28Å; S48-F51 VanDerWaalsContact OG-CD2 3.28Å; S48-F51 WeakPolarHBondContact OG-CD2 3.39Å; S48-F51 PolarHBondContact OG-N 3.08Å; S48-F51 VanDerWaalsContact OG-N 3.15Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.73Å; F51-L54 HydrophobicContact CD1-CD2 4.2Å; F51-L54 PolarHBondContact O-N 2.91Å; F51-F55 HydrophobicContact CB-CD2 4.17Å; F51-F55 HydrophobicContact CB-CE2 3.76Å; F51-F55 HydrophobicContact CD1-CE2 4.45Å; F51-F55 HydrophobicContact CD1-CZ 4.39Å; F51-F55 HydrophobicContact CG-CE2 4.4Å; F51-F55 WeakPolarHBondContact O-CD2 3.39Å; F51-F55 WeakPolarHBondContact O-CG 3.39Å; F51-F55 PolarHBondContact O-N 3.33Å; F51-L67 HydrophobicContact CD1-CD1 4.33Å; F51-L67 HydrophobicContact CE1-CD1 4.29Å; F51-I69 HydrophobicContact CE1-CD1 4.49Å; F51-I69 HydrophobicContact CZ-CD1 4.19Å; F51-L111 HydrophobicContact CE2-CD1 4.28Å; F51-L111 HydrophobicContact CE2-CD2 3.91Å; F51-L111 HydrophobicContact CZ-CD2 3.84Å
52	R	89.8	Confident	81.1	Confident	145 Å²	145	75.1 Å²	75.1	55%	0.547	41%	0.405	S	S	.	.	H	α-helix	trans	-58.1	-47	174.4	-165.9	175	73	-149.9	-8.7	111.6	A45 S48 D49 Y50 S56	A45-R52 HydrophobicContact CB-CB 4.33Å; A45-R52 HydrophobicContact CB-CG 4.45Å; A45-R52 WeakPolarHBondContact O-CB 3.49Å; S48-R52 WeakPolarHBondContact O-CB 3.48Å; S48-R52 PolarHBondContact O-N 2.63Å; D49-R52 PolarHBondContact O-N 2.96Å; D49-R52 IonicContact OD1-CZ 2.73Å; D49-R52 IonicContact OD1-NE 3.39Å; D49-R52 IonicContact OD1-NH1 2.75Å; D49-R52 PolarHBondContact OD1-NH1 2.77Å; D49-R52 VanDerWaalsContact OD1-NH1 3.08Å; D49-R52 IonicContact OD1-NH2 3.02Å; D49-R52 PolarHBondContact OD1-NH2 3.03Å; Y50-R52 VanDerWaalsContact C-N 3.34Å; Y50-R52 PolarHBondContact O-N 2.95Å; R52-S56 WeakPolarHBondContact O-CB 3.42Å; R52-S56 PolarHBondContact O-N 2.85Å; R52-S56 PolarHBondContact O-OG 2.87Å
53	A	88.4	Confident	79.6	Confident	58 Å²	58	77 Å²	77	48%	0.479	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-46.5	176.7	0	0	0	0	0	111.2	D49 Y50 F51 F55 S56 F57	D49-A53 WeakPolarHBondContact O-CB 3.24Å; D49-A53 PolarHBondContact O-N 3.24Å; Y50-A53 PolarHBondContact O-N 2.65Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.73Å; A53-F55 PolarHBondContact O-N 2.75Å; A53-S56 PolarHBondContact O-N 3.28Å; A53-S56 PolarHBondContact O-OG 2.94Å; A53-F57 PolarHBondContact O-N 3.45Å
54	L	86.5	Confident	78.2	Confident	45 Å²	45	83.1 Å²	83.1	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-58.6	-48.5	180	-171.9	68.2	0	0	0	112.3	Y50 F51 F57 Q58 L67	Y50-L54 HydrophobicContact CE1-CD2 4.2Å; Y50-L54 WeakPolarHBondContact O-CB 3.28Å; Y50-L54 PolarHBondContact O-N 3.08Å; F51-L54 HydrophobicContact CD1-CD2 4.2Å; F51-L54 PolarHBondContact O-N 2.91Å; L54-F57 PolarHBondContact O-N 2.97Å; L54-Q58 PolarHBondContact O-N 3.44Å; L54-L67 HydrophobicContact CD2-CD1 3.55Å; L54-L67 HydrophobicContact CD2-CD2 3.75Å; L54-L67 HydrophobicContact CD2-CG 4.22Å; L54-L67 HydrophobicContact CG-CD2 4.46Å
55	F	85	Confident	77.1	Confident	31 Å²	31	84.7 Å²	84.7	14%	0.136	45%	0.448	C	S	.	.	H	α-helix	trans	-71.4	-30.4	179.4	-62.3	-47.7	0	0	0	113.2	V28 S41 L44 A45 F51 A53 F57 Q58 Q59 L67	V28-F55 HydrophobicContact CG1-CE1 4.27Å; V28-F55 HydrophobicContact CG1-CZ 4.09Å; V28-F55 HydrophobicContact CG2-CE1 4.03Å; V28-F55 HydrophobicContact CG2-CZ 3.95Å; S41-F55 WeakPolarHBondContact O-CE2 3.49Å; L44-F55 HydrophobicContact CB-CE2 3.82Å; L44-F55 HydrophobicContact CB-CZ 4.36Å; L44-F55 HydrophobicContact CD1-CE2 4.39Å; L44-F55 HydrophobicContact CD1-CZ 4.1Å; A45-F55 HydrophobicContact CB-CD2 4Å; F51-F55 HydrophobicContact CB-CD2 4.17Å; F51-F55 HydrophobicContact CB-CE2 3.76Å; F51-F55 HydrophobicContact CD1-CE2 4.45Å; F51-F55 HydrophobicContact CD1-CZ 4.39Å; F51-F55 HydrophobicContact CG-CE2 4.4Å; F51-F55 WeakPolarHBondContact O-CD2 3.39Å; F51-F55 WeakPolarHBondContact O-CG 3.39Å; F51-F55 PolarHBondContact O-N 3.33Å; A53-F55 PolarHBondContact O-N 2.75Å; F55-F57 PolarHBondContact O-N 3.12Å; F55-Q58 PolarHBondContact O-N 3.36Å; F55-Q59 WeakPolarHBondContact O-CG 3.4Å; F55-Q59 PolarHBondContact O-N 2.98Å; F55-L67 HydrophobicContact CE1-CD1 3.66Å; F55-L67 HydrophobicContact CZ-CD1 3.92Å
56	S	82.3	Confident	76.7	Confident	75 Å²	75	90.9 Å²	90.9	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-31.9	173.7	72.8	0	0	0	0	112.2	R52 A53	R52-S56 WeakPolarHBondContact O-CB 3.42Å; R52-S56 PolarHBondContact O-N 2.85Å; R52-S56 PolarHBondContact O-OG 2.87Å; A53-S56 PolarHBondContact O-N 3.28Å; A53-S56 PolarHBondContact O-OG 2.94Å
57	F	73.7	Confident	76.2	Confident	192 Å²	192	87.6 Å²	87.6	84%	0.842	44%	0.442	S	S	*	.	H	α-helix	trans	-79.9	-29.5	177	-157.4	-93	0	0	0	112.7	A53 L54 F55	A53-F57 PolarHBondContact O-N 3.45Å; L54-F57 PolarHBondContact O-N 2.97Å; F55-F57 PolarHBondContact O-N 3.12Å
58	Q	71.5	Confident	75.8	Confident	69 Å²	69	91.3 Å²	91.3	32%	0.322	46%	0.456	S	S	.	.			trans	-96.2	15.9	-175.2	-74.7	-174	-19.8	0	0	115	L54 F55 N60 S61	L54-Q58 PolarHBondContact O-N 3.44Å; F55-Q58 PolarHBondContact O-N 3.36Å; Q58-N60 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-N 3.15Å; Q58-S61 PolarHBondContact O-OG 3.28Å
59	Q	62.3	Low	75.2	Confident	161 Å²	161	91.8 Å²	91.8	75%	0.752	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12	-175.8	-75.1	-170.9	-16.3	0	0	115.7	F55	F55-Q59 WeakPolarHBondContact O-CG 3.4Å; F55-Q59 PolarHBondContact O-N 2.98Å
60	N	55.3	Low	74.5	Confident	161 Å²	161	97.6 Å²	97.6	86%	0.861	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	4.8	-176.6	-67.3	-23.6	0	0	0	115.9	Q58	Q58-N60 PolarHBondContact O-N 3.48Å
61	S	56.6	Low	73.9	Confident	70 Å²	70	95.1 Å²	95.1	49%	0.49	47%	0.474	S	S	.	.			trans	-93.3	123.5	175.5	52.2	0	0	0	0	111.8	Q58	Q58-S61 PolarHBondContact O-N 3.15Å; Q58-S61 PolarHBondContact O-OG 3.28Å
62	V	49.6	Very low	73.3	Confident	150 Å²	150	103 Å²	103	91%	0.909	52%	0.516	S	S	*	.			trans	-86.2	-12.5	-170.9	179.9	0	0	0	0	113.7
63	E	55.7	Low	72.7	Confident	169 Å²	169	104.6 Å²	104.6	79%	0.79	52%	0.523	S	S	*	.	S	Bend	trans	-94.7	149.3	-178.8	-67.1	-174.4	166.3	0	0	112.1	P65	E63-P65 WeakPolarHBondContact O-CD 3.34Å
64	E	60.2	Low	72.6	Confident	158 Å²	158	102.1 Å²	102.1	74%	0.738	50%	0.503	S	S	*	.			trans	-45.3	107	172.7	-73.6	-177.5	165.3	0	0	109.7	R66	E64-R66 PolarHBondContact O-N 3.39Å
65	P	67.5	Low	72.8	Confident	34 Å²	34	101.6 Å²	101.6	22%	0.221	50%	0.502	C	S	.	.			trans	-71.3	105.4	-171.9	27.2	-34.1	0	0	0	108.8	N27 V28 T29 E63 L67	N27-P65 WeakPolarHBondContact O-CD 3.2Å; V28-P65 HydrophobicContact CG1-CG 4.39Å; V28-P65 HydrophobicContact CG2-CG 3.91Å; T29-P65 PolarHBondContact N-O 3.49Å; E63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-L67 HydrophobicContact CB-CD2 4.37Å; P65-L67 HydrophobicContact CB-CG 4.4Å; P65-L67 PolarHBondContact O-N 2.85Å
66	R	80	Confident	72.9	Confident	152 Å²	152	103.9 Å²	103.9	57%	0.574	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	102.5	165.9	-169.5	178.4	170.6	111.4	1.8	107.8	T29 V31 E36 E64	T29-R66 CarbonylContact O-C 3.59Å; T29-R66 WeakPolarHBondContact O-CA 3.4Å; V31-R66 HydrophobicContact CG2-CG 3.82Å; E36-R66 VanDerWaalsContact CD-NH1 3.3Å; E36-R66 IonicContact OE1-CZ 3.52Å; E36-R66 IonicContact OE1-NH1 2.65Å; E36-R66 PolarHBondContact OE1-NH1 2.57Å; E36-R66 IonicContact OE1-NH2 3.09Å; E36-R66 PolarHBondContact OE1-NH2 3.37Å; E36-R66 IonicContact OE2-NH1 2.67Å; E64-R66 PolarHBondContact O-N 3.39Å
67	L	80.1	Confident	73.4	Confident	16 Å²	16	102 Å²	102	8%	0.084	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.5	-174.9	-67.9	178.4	0	0	0	110.5	V28 T29 V30 V31 F51 L54 F55 P65	V28-L67 HydrophobicContact CG1-CD1 3.79Å; V28-L67 HydrophobicContact CG1-CG 4.23Å; T29-L67 PolarHBondContact O-N 3.42Å; V30-L67 CarbonylContact C-O 3.56Å; V30-L67 WeakPolarHBondContact CA-O 3.47Å; V31-L67 PolarHBondContact N-O 3.48Å; F51-L67 HydrophobicContact CD1-CD1 4.33Å; F51-L67 HydrophobicContact CE1-CD1 4.29Å; L54-L67 HydrophobicContact CD2-CD1 3.55Å; L54-L67 HydrophobicContact CD2-CD2 3.75Å; L54-L67 HydrophobicContact CD2-CG 4.22Å; L54-L67 HydrophobicContact CG-CD2 4.46Å; F55-L67 HydrophobicContact CE1-CD1 3.66Å; F55-L67 HydrophobicContact CZ-CD1 3.92Å; P65-L67 HydrophobicContact CB-CD2 4.37Å; P65-L67 HydrophobicContact CB-CG 4.4Å; P65-L67 PolarHBondContact O-N 2.85Å
68	E	81.8	Confident	74.2	Confident	117 Å²	117	92.9 Å²	92.9	55%	0.547	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.5	176.4	-163	-177.7	-175.8	0	0	110.5	V31 K70	V31-E68 HydrophobicContact CB-CG 4.49Å; V31-E68 CarbonylContact O-C 3.59Å; V31-E68 WeakPolarHBondContact O-CA 3.3Å; E68-K70 HydrophobicContact CG-CG 4.29Å; E68-K70 PolarHBondContact O-N 3.45Å; E68-K70 WeakPolarHBondContact OE1-CE 3.3Å; E68-K70 IonicContact OE1-NZ 2.77Å; E68-K70 WeakPolarHBondContact OE2-CE 3.44Å; E68-K70 IonicContact OE2-NZ 3.85Å; E68-K70 PolarHBondContact OE2-NZ 3.15Å
69	I	80.3	Confident	75.1	Confident	10 Å²	10	89.6 Å²	89.6	5%	0.051	44%	0.443	C	S	.	.			trans	-86.6	109.1	174	-59.2	176.7	0	0	0	107.7	V30 V31 I32 F51 C71 L79 F110 L111	V30-I69 HydrophobicContact CG1-CD1 3.49Å; V30-I69 VanDerWaalsContact CG1-CD1 3.49Å; V30-I69 HydrophobicContact CG1-CG1 4.01Å; V31-I69 PolarHBondContact O-N 3.18Å; I32-I69 HydrophobicContact CD1-CG2 4.35Å; F51-I69 HydrophobicContact CE1-CD1 4.49Å; F51-I69 HydrophobicContact CZ-CD1 4.19Å; I69-C71 HydrophobicContact CG2-CB 4.16Å; I69-L79 HydrophobicContact CD1-CD1 4.49Å; I69-F110 HydrophobicContact CG2-CE1 4.08Å; I69-L111 HydrophobicContact CD1-CD2 4.01Å
70	K	77.4	Confident	76.5	Confident	164 Å²	164	83.8 Å²	83.8	71%	0.713	42%	0.421	S	S	*	.			trans	-99.4	86.1	173	-65.5	-176.2	-176.7	173.5	0	109	E68	E68-K70 HydrophobicContact CG-CG 4.29Å; E68-K70 PolarHBondContact O-N 3.45Å; E68-K70 WeakPolarHBondContact OE1-CE 3.3Å; E68-K70 IonicContact OE1-NZ 2.77Å; E68-K70 WeakPolarHBondContact OE2-CE 3.44Å; E68-K70 IonicContact OE2-NZ 3.85Å; E68-K70 PolarHBondContact OE2-NZ 3.15Å
71	C	78.1	Confident	78.2	Confident	20 Å²	20	77.7 Å²	77.7	14%	0.135	39%	0.387	C	S	.	.			trans	-136	116.5	174.7	-169.7	0	0	0	0	109.8	I69 Y73 V74 F110	I69-C71 HydrophobicContact CG2-CB 4.16Å; C71-Y73 PolarHBondContact O-N 2.88Å; C71-V74 HydrophobicContact CB-CB 4.42Å; C71-V74 HydrophobicContact CB-CG2 4.15Å; C71-V74 PolarHBondContact O-N 3.22Å; C71-F110 HydrophobicContact CB-CE1 4.31Å; C71-F110 HydrophobicContact CB-CE2 4.36Å; C71-F110 HydrophobicContact CB-CZ 3.99Å
72	D	77.6	Confident	79.8	Confident	166 Å²	166	74.4 Å²	74.4	89%	0.888	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21	-178.6	-61.3	-24.3	0	0	0	112.6
73	Y	77.8	Confident	81.7	Confident	178 Å²	178	67.4 Å²	67.4	70%	0.698	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.8	-178.4	-58.1	-73.3	0	0	0	113.5	C71 V106	C71-Y73 PolarHBondContact O-N 2.88Å; Y73-V106 VanDerWaalsContact O-CG1 3.23Å; Y73-V106 WeakPolarHBondContact O-CG1 3.37Å
74	V	85.9	Confident	83.3	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.042	30%	0.299	C	S	.	.	S	Bend	trans	-94.5	112.8	-176.3	-179.7	0	0	0	0	109.5	I32 C71 L79 A107 F110	I32-V74 HydrophobicContact CD1-CB 3.82Å; I32-V74 HydrophobicContact CD1-CG1 3.66Å; I32-V74 WeakPolarHBondContact CD1-O 3.33Å; C71-V74 HydrophobicContact CB-CB 4.42Å; C71-V74 HydrophobicContact CB-CG2 4.15Å; C71-V74 PolarHBondContact O-N 3.22Å; V74-L79 HydrophobicContact CG1-CB 4.22Å; V74-A107 HydrophobicContact CG1-CB 3.93Å; V74-F110 HydrophobicContact CG2-CB 3.95Å; V74-F110 HydrophobicContact CG2-CD1 3.81Å; V74-F110 HydrophobicContact CG2-CE1 4.48Å; V74-F110 HydrophobicContact CG2-CG 3.82Å
75	S	89.1	Confident	84.7	Confident	33 Å²	33	55.7 Å²	55.7	23%	0.231	27%	0.268	C	S	.	.			trans	-73.7	151.3	175.2	89	0	0	0	0	111	V77 G78 L79 D103	S75-V77 PolarHBondContact O-N 2.87Å; S75-V77 PolarHBondContact OG-N 3.35Å; S75-G78 PolarHBondContact O-N 2.92Å; S75-G78 PolarHBondContact OG-N 3.26Å; S75-L79 PolarHBondContact O-N 2.78Å; S75-D103 WeakPolarHBondContact CB-OD2 3.42Å; S75-D103 WeakPolarHBondContact OG-CB 3.26Å; S75-D103 PolarHBondContact OG-OD2 2.93Å
76	H	89.1	Confident	85.7	Confident	79 Å²	79	54.1 Å²	54.1	37%	0.366	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-28.2	174.3	77.2	-74.2	0	0	0	112.2	I32 Y35 S80	I32-H76 HydrophobicContact CG2-CB 4.18Å; Y35-H76 HydrophobicContact CD2-CB 3.85Å; Y35-H76 HydrophobicContact CE2-CB 4.2Å; Y35-H76 AromaticContact CE2-CD2 3.96Å; Y35-H76 AromaticContact CE2-CG 3.98Å; Y35-H76 HydrophobicContact CG-CB 4.43Å; H76-S80 WeakPolarHBondContact O-CB 3.41Å; H76-S80 PolarHBondContact O-N 3.01Å; H76-S80 PolarHBondContact O-OG 2.69Å
77	V	91.2	Very high	86	Confident	36 Å²	36	47.7 Å²	47.7	22%	0.218	23%	0.234	C	C	.	.	H	α-helix	trans	-71.4	-43.9	176.6	-174.7	0	0	0	0	110.8	S75 S80 H81 D100	S75-V77 PolarHBondContact O-N 2.87Å; S75-V77 PolarHBondContact OG-N 3.35Å; V77-S80 PolarHBondContact O-N 3.26Å; V77-S80 PolarHBondContact O-OG 3.41Å; V77-H81 PolarHBondContact O-N 2.89Å; V77-H81 PolarHBondContact O-ND1 2.83Å; V77-D100 HydrophobicContact CG1-CB 4.42Å
78	G	90.6	Very high	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-46.8	174.2	0	0	0	0	0	111.3	S75 S80 H81 V82 A107	S75-G78 PolarHBondContact O-N 2.92Å; S75-G78 PolarHBondContact OG-N 3.26Å; G78-S80 PolarHBondContact O-N 3.25Å; G78-H81 PolarHBondContact O-N 2.84Å; G78-V82 WeakPolarHBondContact O-CG2 3.21Å; G78-V82 PolarHBondContact O-N 2.77Å; G78-V82 VanDerWaalsContact O-N 3.09Å; G78-A107 VanDerWaalsContact C-CB 3.49Å
79	L	91.2	Very high	86.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-40.8	179.5	-172.6	66	0	0	0	112.4	V30 I32 F37 I69 V74 S75 H81 V82 M83 L111	V30-L79 HydrophobicContact CG1-CD2 4.23Å; I32-L79 HydrophobicContact CB-CD2 3.64Å; I32-L79 HydrophobicContact CD1-CD2 4.11Å; I32-L79 HydrophobicContact CG1-CD2 4.5Å; I32-L79 HydrophobicContact CG2-CB 4.33Å; I32-L79 HydrophobicContact CG2-CD2 3.37Å; I32-L79 HydrophobicContact CG2-CG 4.44Å; F37-L79 HydrophobicContact CD2-CD2 3.94Å; F37-L79 HydrophobicContact CD2-CG 4.43Å; F37-L79 HydrophobicContact CE2-CD2 3.93Å; F37-L79 HydrophobicContact CE2-CG 4.33Å; I69-L79 HydrophobicContact CD1-CD1 4.49Å; V74-L79 HydrophobicContact CG1-CB 4.22Å; S75-L79 PolarHBondContact O-N 2.78Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 2.77Å; L79-V82 PolarHBondContact O-N 3.39Å; L79-M83 HydrophobicContact CD1-CG 4.17Å; L79-M83 HydrophobicContact CG-CG 4.07Å; L79-M83 WeakPolarHBondContact O-CB 3.33Å; L79-M83 VanDerWaalsContact O-CG 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.41Å; L79-M83 PolarHBondContact O-N 3.3Å; L79-L111 HydrophobicContact CD1-CD1 3.43Å; L79-L111 VanDerWaalsContact CD1-CD1 3.43Å
80	S	90.7	Very high	86.1	Confident	40 Å²	40	45.5 Å²	45.5	28%	0.28	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-43.9	-179.1	69.7	0	0	0	0	111.6	H76 V77 G78 M83 L84	H76-S80 WeakPolarHBondContact O-CB 3.41Å; H76-S80 PolarHBondContact O-N 3.01Å; H76-S80 PolarHBondContact O-OG 2.69Å; V77-S80 PolarHBondContact O-N 3.26Å; V77-S80 PolarHBondContact O-OG 3.41Å; G78-S80 PolarHBondContact O-N 3.25Å; S80-M83 PolarHBondContact O-N 2.89Å; S80-L84 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 3.33Å
81	H	91.4	Very high	86	Confident	33 Å²	33	41.1 Å²	41.1	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-40.5	175.9	-73.8	98.2	0	0	0	112.4	V77 G78 L79 L84 F85 D100 V104	V77-H81 PolarHBondContact O-N 2.89Å; V77-H81 PolarHBondContact O-ND1 2.83Å; G78-H81 PolarHBondContact O-N 2.84Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 2.77Å; H81-L84 PolarHBondContact O-N 3.13Å; H81-F85 VanDerWaalsContact O-CB 3.27Å; H81-F85 WeakPolarHBondContact O-CB 2.97Å; H81-F85 PolarHBondContact O-N 3.04Å; H81-D100 IonicContact CE1-OD2 3.99Å; H81-D100 PolarHBondContact CE1-OD2 3.46Å; H81-D100 IonicContact NE2-OD2 3.39Å; H81-V104 HydrophobicContact CB-CG1 4.44Å; H81-V104 HydrophobicContact CB-CG2 3.62Å
82	V	91.3	Very high	85.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-44	175.4	175.1	0	0	0	0	110.9	G78 L79 F85 I86 V104 A107 L111 V113 L116	G78-V82 WeakPolarHBondContact O-CG2 3.21Å; G78-V82 PolarHBondContact O-N 2.77Å; G78-V82 VanDerWaalsContact O-N 3.09Å; L79-V82 PolarHBondContact O-N 3.39Å; V82-F85 WeakPolarHBondContact O-CB 3.12Å; V82-F85 PolarHBondContact O-N 3.36Å; V82-I86 HydrophobicContact CG1-CD1 4Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.17Å; V82-V104 HydrophobicContact CG2-CG1 4.34Å; V82-A107 HydrophobicContact CG2-CB 3.71Å; V82-L111 HydrophobicContact CB-CD1 4.48Å; V82-L111 HydrophobicContact CG1-CD1 3.81Å; V82-V113 HydrophobicContact CG1-CG2 3.97Å; V82-L116 HydrophobicContact CB-CD2 4.41Å; V82-L116 HydrophobicContact CG2-CD2 3.84Å
83	M	89.6	Confident	85.3	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-41.5	177.6	-70.8	-58.2	-60.9	0	0	111.6	V30 F37 L44 L79 S80 F85 I86 N87	V30-M83 HydrophobicContact CG2-CE 4.2Å; V30-M83 HydrophobicContact CG2-SD 4.43Å; F37-M83 HydrophobicContact CB-CB 4.41Å; F37-M83 HydrophobicContact CB-CE 4.06Å; F37-M83 HydrophobicContact CB-CG 3.97Å; F37-M83 HydrophobicContact CD1-CB 4.29Å; F37-M83 HydrophobicContact CD1-CG 4.36Å; F37-M83 HydrophobicContact CG-CB 4.46Å; F37-M83 HydrophobicContact CG-CG 4.07Å; L44-M83 HydrophobicContact CD2-CE 3.8Å; L44-M83 HydrophobicContact CD2-SD 3.86Å; L79-M83 HydrophobicContact CD1-CG 4.17Å; L79-M83 HydrophobicContact CG-CG 4.07Å; L79-M83 WeakPolarHBondContact O-CB 3.33Å; L79-M83 VanDerWaalsContact O-CG 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.41Å; L79-M83 PolarHBondContact O-N 3.3Å; S80-M83 PolarHBondContact O-N 2.89Å; M83-F85 VanDerWaalsContact C-N 3.33Å; M83-I86 PolarHBondContact O-N 2.94Å; M83-N87 VanDerWaalsContact O-CB 3.3Å; M83-N87 WeakPolarHBondContact O-CB 3.42Å; M83-N87 VanDerWaalsContact O-CG 3.27Å; M83-N87 PolarHBondContact O-N 3.42Å
84	L	87.9	Confident	85	Confident	61 Å²	61	34.1 Å²	34.1	32%	0.319	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-40.8	174.3	-174	65	0	0	0	111.3	L17 S80 H81 S88 V92	L17-L84 HydrophobicContact CD1-CD1 4.22Å; S80-L84 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 3.33Å; H81-L84 PolarHBondContact O-N 3.13Å; L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 3.21Å; L84-S88 PolarHBondContact O-OG 3.09Å; L84-V92 HydrophobicContact CD2-CB 4.5Å; L84-V92 HydrophobicContact CD2-CG1 3.67Å; L84-V92 HydrophobicContact CG-CB 4.4Å; L84-V92 HydrophobicContact CG-CG1 4.08Å
85	F	89.3	Confident	84.5	Confident	20 Å²	20	37 Å²	37	9%	0.088	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-45.8	175.5	177.8	-90.6	0	0	0	111.5	H81 V82 M83 S88 I89 G90 H93 V113 L116	H81-F85 VanDerWaalsContact O-CB 3.27Å; H81-F85 WeakPolarHBondContact O-CB 2.97Å; H81-F85 PolarHBondContact O-N 3.04Å; V82-F85 WeakPolarHBondContact O-CB 3.12Å; V82-F85 PolarHBondContact O-N 3.36Å; M83-F85 VanDerWaalsContact C-N 3.33Å; F85-S88 PolarHBondContact O-OG 3.06Å; F85-I89 PolarHBondContact O-N 3.4Å; F85-G90 VanDerWaalsContact CE2-CA 3.44Å; F85-G90 PolarHBondContact O-N 3Å; F85-H93 HydrophobicContact CD2-CB 4.36Å; F85-H93 HydrophobicContact CE2-CB 4.17Å; F85-V113 HydrophobicContact CD1-CG1 4.22Å; F85-V113 HydrophobicContact CE1-CG1 4.01Å; F85-L116 HydrophobicContact CB-CD2 4.08Å; F85-L116 HydrophobicContact CD1-CB 4.18Å; F85-L116 HydrophobicContact CD1-CD2 3.96Å; F85-L116 HydrophobicContact CD2-CD1 3.95Å; F85-L116 HydrophobicContact CD2-CD2 4.39Å; F85-L116 HydrophobicContact CE1-CB 3.93Å; F85-L116 HydrophobicContact CE2-CD1 4.04Å; F85-L116 HydrophobicContact CG-CD1 4.29Å; F85-L116 HydrophobicContact CG-CD2 3.89Å; F85-L116 HydrophobicContact CG-CG 4.5Å; F85-L116 HydrophobicContact CZ-CB 4.1Å; F85-L116 HydrophobicContact CZ-CD1 4.47Å
86	I	89.6	Confident	84.2	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-49.7	177.7	-66.6	171.5	0	0	0	110.8	L43 L44 V82 M83 S88 I89 V113	L43-I86 HydrophobicContact CB-CG2 4.25Å; L44-I86 HydrophobicContact CD2-CD1 3.9Å; L44-I86 HydrophobicContact CD2-CG2 4.06Å; V82-I86 HydrophobicContact CG1-CD1 4Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.17Å; M83-I86 PolarHBondContact O-N 2.94Å; I86-S88 PolarHBondContact O-N 3.06Å; I86-I89 PolarHBondContact O-N 2.96Å; I86-I89 VanDerWaalsContact O-N 3.08Å; I86-V113 HydrophobicContact CD1-CG2 4.13Å
87	N	85.6	Confident	84.2	Confident	17 Å²	17	34.2 Å²	34.2	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-28.5	-178.1	-73.4	-13.4	0	0	0	112.6	L17 I20 K38 S39 M83	L17-N87 HydrophobicContact CD1-CB 3.81Å; I20-N87 HydrophobicContact CD1-CB 4.12Å; K38-N87 PolarHBondContact O-ND2 2.83Å; S39-N87 WeakPolarHBondContact CB-OD1 3.27Å; S39-N87 PolarHBondContact OG-OD1 3.41Å; M83-N87 VanDerWaalsContact O-CB 3.3Å; M83-N87 WeakPolarHBondContact O-CB 3.42Å; M83-N87 VanDerWaalsContact O-CG 3.27Å; M83-N87 PolarHBondContact O-N 3.42Å
88	S	83.9	Confident	83.8	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.7	176.4	66.2	0	0	0	0	114.3	L84 F85 I86 G90 Q91 V92	L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 3.21Å; L84-S88 PolarHBondContact O-OG 3.09Å; F85-S88 PolarHBondContact O-OG 3.06Å; I86-S88 PolarHBondContact O-N 3.06Å; S88-G90 PolarHBondContact O-N 3.45Å; S88-G90 VanDerWaalsContact O-N 3.15Å; S88-Q91 PolarHBondContact O-N 3.45Å; S88-V92 VanDerWaalsContact CB-CG2 3.49Å; S88-V92 WeakPolarHBondContact OG-CG2 3.09Å
89	I	83	Confident	83.7	Confident	79 Å²	79	44.8 Å²	44.8	41%	0.405	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	38.3	-177.8	-41.5	-179.1	0	0	0	111	V16 F85 I86 Q91	V16-I89 HydrophobicContact CB-CD1 4.44Å; V16-I89 HydrophobicContact CG1-CD1 4.41Å; V16-I89 HydrophobicContact CG2-CD1 4.41Å; F85-I89 PolarHBondContact O-N 3.4Å; I86-I89 PolarHBondContact O-N 2.96Å; I86-I89 VanDerWaalsContact O-N 3.08Å; I89-Q91 PolarHBondContact O-N 3.14Å
90	G	78.2	Confident	83.7	Confident	16 Å²	16	46.2 Å²	46.2	17%	0.165	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	5.7	175.8	0	0	0	0	0	117	F85 S88 V92 H93	F85-G90 VanDerWaalsContact CE2-CA 3.44Å; F85-G90 PolarHBondContact O-N 3Å; S88-G90 PolarHBondContact O-N 3.45Å; S88-G90 VanDerWaalsContact O-N 3.15Å; G90-V92 VanDerWaalsContact C-N 3.3Å; G90-V92 PolarHBondContact O-N 3.47Å; G90-H93 PolarHBondContact O-ND1 3.43Å
91	Q	74.8	Confident	83.7	Confident	73 Å²	73	45.7 Å²	45.7	34%	0.341	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67.6	-29.2	178	-72.8	-72.6	-30	0	0	113.2	S13 S88 I89 H93	S13-Q91 VanDerWaalsContact OG-CG 3.24Å; S13-Q91 WeakPolarHBondContact OG-CG 3.33Å; S88-Q91 PolarHBondContact O-N 3.45Å; I89-Q91 PolarHBondContact O-N 3.14Å; Q91-H93 VanDerWaalsContact C-N 3.26Å; Q91-H93 PolarHBondContact O-N 3.32Å
92	V	72.1	Confident	83.7	Confident	44 Å²	44	47 Å²	47	27%	0.267	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-92.6	27.7	-170.1	-172.3	0	0	0	0	112.2	L84 S88 G90 D94 S95	L84-V92 HydrophobicContact CD2-CB 4.5Å; L84-V92 HydrophobicContact CD2-CG1 3.67Å; L84-V92 HydrophobicContact CG-CB 4.4Å; L84-V92 HydrophobicContact CG-CG1 4.08Å; S88-V92 VanDerWaalsContact CB-CG2 3.49Å; S88-V92 WeakPolarHBondContact OG-CG2 3.09Å; G90-V92 VanDerWaalsContact C-N 3.3Å; G90-V92 PolarHBondContact O-N 3.47Å; V92-D94 VanDerWaalsContact C-N 3.34Å; V92-D94 PolarHBondContact O-N 3.46Å; V92-S95 WeakPolarHBondContact CG1-OG 3.33Å; V92-S95 PolarHBondContact O-OG 2.85Å
93	H	69.6	Low	83.7	Confident	53 Å²	53	49.9 Å²	49.9	25%	0.245	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-73.1	-24.3	-177.6	64.9	-82	0	0	0	113.9	F85 G90 Q91 M119 R123	F85-H93 HydrophobicContact CD2-CB 4.36Å; F85-H93 HydrophobicContact CE2-CB 4.17Å; G90-H93 PolarHBondContact O-ND1 3.43Å; Q91-H93 VanDerWaalsContact C-N 3.26Å; Q91-H93 PolarHBondContact O-N 3.32Å; H93-M119 HydrophobicContact CB-CE 4.15Å; H93-M119 HydrophobicContact CB-SD 3.62Å; H93-R123 PolarHBondContact O-NH1 3.09Å; H93-R123 PolarHBondContact O-NH2 3.17Å
94	D	70.1	Confident	83.9	Confident	119 Å²	119	49.8 Å²	49.8	64%	0.636	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-82.3	-10.9	-178	-71.4	-26.5	0	0	0	114.4	V92 I96 R123	V92-D94 VanDerWaalsContact C-N 3.34Å; V92-D94 PolarHBondContact O-N 3.46Å; D94-I96 VanDerWaalsContact C-N 3.34Å; D94-R123 IonicContact OD1-NH2 3.96Å; D94-R123 PolarHBondContact OD1-NH2 3.11Å
95	S	75.4	Confident	84.2	Confident	67 Å²	67	46.9 Å²	46.9	47%	0.469	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-86.5	-3.6	-178	68.6	0	0	0	0	114.2	V92 P97	V92-S95 WeakPolarHBondContact CG1-OG 3.33Å; V92-S95 PolarHBondContact O-OG 2.85Å; S95-P97 WeakPolarHBondContact O-CD 3.32Å
96	I	84.1	Confident	84.4	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.046	25%	0.253	C	S	.	.			trans	-74	119.2	-176.4	-52	174.7	0	0	0	108.1	D94 D100 Y101 V104 L116 M120	D94-I96 VanDerWaalsContact C-N 3.34Å; I96-D100 HydrophobicContact CG2-CB 4.3Å; I96-Y101 HydrophobicContact CB-CE1 4.22Å; I96-Y101 HydrophobicContact CG2-CD1 3.84Å; I96-Y101 HydrophobicContact CG2-CE1 3.93Å; I96-Y101 WeakPolarHBondContact O-CE1 3.3Å; I96-V104 HydrophobicContact CD1-CG1 4.18Å; I96-V104 HydrophobicContact CG2-CG2 3.89Å; I96-L116 HydrophobicContact CD1-CD1 4.35Å; I96-M120 HydrophobicContact CD1-SD 4.01Å
97	P	87.7	Confident	84.5	Confident	45 Å²	45	46.6 Å²	46.6	29%	0.292	25%	0.252	S	S	.	.			trans	-72.8	152.7	177.6	32.5	-35	0	0	0	110.4	S95 E99 D100 Y101	S95-P97 WeakPolarHBondContact O-CD 3.32Å; P97-E99 HydrophobicContact CB-CG 4.07Å; P97-E99 HydrophobicContact CG-CG 4.07Å; P97-E99 PolarHBondContact O-N 2.94Å; P97-E99 VanDerWaalsContact O-N 3.17Å; P97-D100 HydrophobicContact CG-CB 4.07Å; P97-D100 WeakPolarHBondContact CG-OD2 3.36Å; P97-D100 PolarHBondContact O-N 2.99Å; P97-D100 VanDerWaalsContact O-N 3.09Å; P97-Y101 WeakPolarHBondContact O-CD1 3.46Å; P97-Y101 VanDerWaalsContact O-CE1 3.27Å; P97-Y101 WeakPolarHBondContact O-CE1 3.4Å
98	T	84.7	Confident	84.9	Confident	101 Å²	101	45.8 Å²	45.8	62%	0.62	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-61	-27	-175.9	49.3	0	0	0	0	113.6	D100 Y101	T98-D100 VanDerWaalsContact C-N 3.31Å; T98-D100 PolarHBondContact O-N 2.95Å; T98-Y101 HydrophobicContact CG2-CE2 3.93Å
99	E	87.8	Confident	85.4	Confident	158 Å²	158	46.1 Å²	46.1	74%	0.738	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66.8	-30.6	177.4	62.4	-164	162.4	0	0	113	P97	P97-E99 HydrophobicContact CB-CG 4.07Å; P97-E99 HydrophobicContact CG-CG 4.07Å; P97-E99 PolarHBondContact O-N 2.94Å; P97-E99 VanDerWaalsContact O-N 3.17Å
100	D	90.1	Very high	85.8	Confident	29 Å²	29	45.5 Å²	45.5	16%	0.155	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-90.4	-1.5	-176.6	-67.7	-22.2	0	0	0	112.8	V77 H81 I96 P97 T98 Q102 D103 V104	V77-D100 HydrophobicContact CG1-CB 4.42Å; H81-D100 IonicContact CE1-OD2 3.99Å; H81-D100 PolarHBondContact CE1-OD2 3.46Å; H81-D100 IonicContact NE2-OD2 3.39Å; I96-D100 HydrophobicContact CG2-CB 4.3Å; P97-D100 HydrophobicContact CG-CB 4.07Å; P97-D100 WeakPolarHBondContact CG-OD2 3.36Å; P97-D100 PolarHBondContact O-N 2.99Å; P97-D100 VanDerWaalsContact O-N 3.09Å; T98-D100 VanDerWaalsContact C-N 3.31Å; T98-D100 PolarHBondContact O-N 2.95Å; D100-Q102 VanDerWaalsContact C-N 3.29Å; D100-Q102 PolarHBondContact O-N 3.21Å; D100-D103 PolarHBondContact O-N 3.4Å; D100-D103 VanDerWaalsContact O-N 3.16Å; D100-V104 HydrophobicContact CB-CG2 4.4Å; D100-V104 WeakPolarHBondContact O-CG2 3.25Å; D100-V104 PolarHBondContact O-N 2.83Å
101	Y	91.3	Very high	86.4	Confident	30 Å²	30	44.7 Å²	44.7	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-39.7	-172	-77.2	6.2	0	0	0	113.4	I96 P97 T98 Y105 M120 R123 T127	I96-Y101 HydrophobicContact CB-CE1 4.22Å; I96-Y101 HydrophobicContact CG2-CD1 3.84Å; I96-Y101 HydrophobicContact CG2-CE1 3.93Å; I96-Y101 WeakPolarHBondContact O-CE1 3.3Å; P97-Y101 WeakPolarHBondContact O-CD1 3.46Å; P97-Y101 VanDerWaalsContact O-CE1 3.27Å; P97-Y101 WeakPolarHBondContact O-CE1 3.4Å; T98-Y101 HydrophobicContact CG2-CE2 3.93Å; Y101-Y105 VanDerWaalsContact O-CB 3.27Å; Y101-Y105 WeakPolarHBondContact O-CB 3.37Å; Y101-Y105 PolarHBondContact O-N 3.16Å; Y101-M120 VanDerWaalsContact CA-CE 3.47Å; Y101-M120 HydrophobicContact CD1-CE 3.55Å; Y101-M120 HydrophobicContact CD2-CE 4.35Å; Y101-M120 HydrophobicContact CE1-CE 4.26Å; Y101-M120 HydrophobicContact CG-CE 3.58Å; Y101-M120 WeakPolarHBondContact O-CE 3.27Å; Y101-R123 HydrophobicContact CD2-CB 4.02Å; Y101-R123 HydrophobicContact CE2-CB 3.73Å; Y101-R123 HydrophobicContact CE2-CG 4.4Å; Y101-T127 HydrophobicContact CD2-CG2 4.11Å; Y101-T127 HydrophobicContact CE2-CG2 4.13Å
102	Q	91.2	Very high	87.3	Confident	59 Å²	59	45.3 Å²	45.3	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-67.2	-45.4	179.3	-65.1	-179.1	24.4	0	0	111.1	D100 V104 Y105 V106 L124 L139	D100-Q102 VanDerWaalsContact C-N 3.29Å; D100-Q102 PolarHBondContact O-N 3.21Å; Q102-V104 PolarHBondContact O-N 3.06Å; Q102-Y105 PolarHBondContact O-N 2.78Å; Q102-V106 VanDerWaalsContact O-CG2 3.27Å; Q102-V106 WeakPolarHBondContact O-CG2 3.5Å; Q102-V106 PolarHBondContact O-N 2.98Å; Q102-L124 HydrophobicContact CG-CD2 4.03Å; Q102-L139 HydrophobicContact CB-CD1 4.23Å; Q102-L139 HydrophobicContact CG-CD1 4.41Å
103	D	91.2	Very high	88.3	Confident	62 Å²	62	43.2 Å²	43.2	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-43.1	179.9	-81.7	9.9	0	0	0	111.9	S75 D100 V106 A107	S75-D103 WeakPolarHBondContact CB-OD2 3.42Å; S75-D103 WeakPolarHBondContact OG-CB 3.26Å; S75-D103 PolarHBondContact OG-OD2 2.93Å; D100-D103 PolarHBondContact O-N 3.4Å; D100-D103 VanDerWaalsContact O-N 3.16Å; D103-V106 PolarHBondContact O-N 3.37Å; D103-A107 WeakPolarHBondContact O-CB 3.39Å; D103-A107 PolarHBondContact O-N 3.49Å
104	V	93.7	Very high	89.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-38.6	176.5	-177.1	0	0	0	0	111.3	H81 V82 I96 D100 Q102 A107 S108 L116 M120	H81-V104 HydrophobicContact CB-CG1 4.44Å; H81-V104 HydrophobicContact CB-CG2 3.62Å; V82-V104 HydrophobicContact CG2-CG1 4.34Å; I96-V104 HydrophobicContact CD1-CG1 4.18Å; I96-V104 HydrophobicContact CG2-CG2 3.89Å; D100-V104 HydrophobicContact CB-CG2 4.4Å; D100-V104 WeakPolarHBondContact O-CG2 3.25Å; D100-V104 PolarHBondContact O-N 2.83Å; Q102-V104 PolarHBondContact O-N 3.06Å; V104-A107 PolarHBondContact O-N 2.98Å; V104-S108 VanDerWaalsContact O-CB 3.25Å; V104-S108 WeakPolarHBondContact O-CB 3.37Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 2.98Å; V104-L116 HydrophobicContact CG1-CD1 4.39Å; V104-L116 HydrophobicContact CG1-CD2 3.99Å; V104-L116 HydrophobicContact CG1-CG 4.27Å; V104-M120 HydrophobicContact CB-CE 4.29Å; V104-M120 HydrophobicContact CB-CG 4.43Å; V104-M120 HydrophobicContact CB-SD 4.45Å; V104-M120 HydrophobicContact CG1-CG 3.93Å; V104-M120 HydrophobicContact CG1-SD 4.12Å
105	Y	94.2	Very high	90.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-46	175.8	176.7	-99	0	0	0	111.7	Y101 Q102 S108 S109 Q117 M120 L124 L139 F143 D145 L148	Y101-Y105 VanDerWaalsContact O-CB 3.27Å; Y101-Y105 WeakPolarHBondContact O-CB 3.37Å; Y101-Y105 PolarHBondContact O-N 3.16Å; Q102-Y105 PolarHBondContact O-N 2.78Å; Y105-S108 PolarHBondContact O-OG 2.85Å; Y105-S108 VanDerWaalsContact O-OG 3.06Å; Y105-S109 VanDerWaalsContact O-CB 3.29Å; Y105-S109 WeakPolarHBondContact O-CB 3.15Å; Y105-S109 PolarHBondContact O-N 3.44Å; Y105-S109 PolarHBondContact O-OG 2.96Å; Y105-Q117 HydrophobicContact CD2-CG 4.46Å; Y105-Q117 HydrophobicContact CE2-CG 3.96Å; Y105-M120 HydrophobicContact CD2-CB 4.01Å; Y105-L124 HydrophobicContact CD1-CD1 4.07Å; Y105-L124 HydrophobicContact CD2-CD1 3.9Å; Y105-L124 HydrophobicContact CG-CD1 3.59Å; Y105-L139 HydrophobicContact CD1-CB 4.32Å; Y105-L139 HydrophobicContact CE1-CB 4.07Å; Y105-F143 HydrophobicContact CD1-CD2 4.42Å; Y105-F143 AromaticContact CE1-CD2 3.78Å; Y105-F143 HydrophobicContact CE1-CD2 3.78Å; Y105-F143 HydrophobicContact CE1-CE2 4.48Å; Y105-D145 WeakPolarHBondContact OH-CB 3.4Å; Y105-D145 PolarHBondContact OH-OD2 3.44Å; Y105-L148 HydrophobicContact CE2-CD2 4.19Å
106	V	93.7	Very high	91.1	Very high	15 Å²	15	40.3 Å²	40.3	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-48.9	176.7	171.9	0	0	0	0	111	Y73 Q102 D103 S109 F110 L139 F143	Y73-V106 VanDerWaalsContact O-CG1 3.23Å; Y73-V106 WeakPolarHBondContact O-CG1 3.37Å; Q102-V106 VanDerWaalsContact O-CG2 3.27Å; Q102-V106 WeakPolarHBondContact O-CG2 3.5Å; Q102-V106 PolarHBondContact O-N 2.98Å; D103-V106 PolarHBondContact O-N 3.37Å; V106-S109 PolarHBondContact O-N 3.01Å; V106-F110 WeakPolarHBondContact O-CB 3.39Å; V106-F110 PolarHBondContact O-N 3.46Å; V106-L139 HydrophobicContact CG2-CD1 4.21Å; V106-L139 HydrophobicContact CG2-CD2 3.61Å; V106-F143 HydrophobicContact CB-CE2 4.25Å; V106-F143 HydrophobicContact CB-CZ 4.38Å; V106-F143 HydrophobicContact CG1-CE2 4.25Å; V106-F143 HydrophobicContact CG1-CZ 3.98Å; V106-F143 HydrophobicContact CG2-CE2 4.05Å
107	A	93.4	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-44.3	-178.8	0	0	0	0	0	112.4	V74 G78 V82 D103 V104 F110 L111	V74-A107 HydrophobicContact CG1-CB 3.93Å; G78-A107 VanDerWaalsContact C-CB 3.49Å; V82-A107 HydrophobicContact CG2-CB 3.71Å; D103-A107 WeakPolarHBondContact O-CB 3.39Å; D103-A107 PolarHBondContact O-N 3.49Å; V104-A107 PolarHBondContact O-N 2.98Å; A107-F110 PolarHBondContact O-N 3.3Å; A107-L111 WeakPolarHBondContact O-CB 3.19Å; A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.22Å
108	S	93.5	Very high	91.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-37.7	179.3	58.6	0	0	0	0	112.6	V104 Y105 Q112 V113	V104-S108 VanDerWaalsContact O-CB 3.25Å; V104-S108 WeakPolarHBondContact O-CB 3.37Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 2.98Å; Y105-S108 PolarHBondContact O-OG 2.85Å; Y105-S108 VanDerWaalsContact O-OG 3.06Å; S108-Q112 PolarHBondContact O-N 3Å; S108-V113 PolarHBondContact O-N 2.85Å
109	S	93.4	Very high	91.9	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-45.9	176.3	-55	0	0	0	0	111.3	Y105 V106 L111 Q112 Q117 F143	Y105-S109 VanDerWaalsContact O-CB 3.29Å; Y105-S109 WeakPolarHBondContact O-CB 3.15Å; Y105-S109 PolarHBondContact O-N 3.44Å; Y105-S109 PolarHBondContact O-OG 2.96Å; V106-S109 PolarHBondContact O-N 3.01Å; S109-L111 PolarHBondContact O-N 3.49Å; S109-Q112 PolarHBondContact O-N 3.3Å; S109-Q112 VanDerWaalsContact O-N 3.13Å; S109-Q117 WeakPolarHBondContact OG-CG 3.4Å; S109-Q117 PolarHBondContact OG-NE2 3.18Å; S109-F143 VanDerWaalsContact CB-CG 3.42Å
110	F	92.2	Very high	92.1	Very high	65 Å²	65	37 Å²	37	29%	0.285	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-44.5	177.5	-179.1	-96.3	0	0	0	112.3	I69 C71 V74 V106 A107 Q112 F143	I69-F110 HydrophobicContact CG2-CE1 4.08Å; C71-F110 HydrophobicContact CB-CE1 4.31Å; C71-F110 HydrophobicContact CB-CE2 4.36Å; C71-F110 HydrophobicContact CB-CZ 3.99Å; V74-F110 HydrophobicContact CG2-CB 3.95Å; V74-F110 HydrophobicContact CG2-CD1 3.81Å; V74-F110 HydrophobicContact CG2-CE1 4.48Å; V74-F110 HydrophobicContact CG2-CG 3.82Å; V106-F110 WeakPolarHBondContact O-CB 3.39Å; V106-F110 PolarHBondContact O-N 3.46Å; A107-F110 PolarHBondContact O-N 3.3Å; F110-Q112 PolarHBondContact O-N 2.76Å; F110-F143 HydrophobicContact CB-CE1 4.42Å
111	L	91.3	Very high	92.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.5	178.1	-67.1	174.5	0	0	0	113.5	S48 Y50 F51 I69 L79 V82 A107 S109 V113	S48-L111 WeakPolarHBondContact CB-O 3.41Å; S48-L111 PolarHBondContact OG-O 3.28Å; Y50-L111 WeakPolarHBondContact CB-O 3.47Å; Y50-L111 HydrophobicContact CD1-CD2 3.81Å; Y50-L111 HydrophobicContact CE1-CD2 4.2Å; Y50-L111 HydrophobicContact CG-CD2 4.34Å; F51-L111 HydrophobicContact CE2-CD1 4.28Å; F51-L111 HydrophobicContact CE2-CD2 3.91Å; F51-L111 HydrophobicContact CZ-CD2 3.84Å; I69-L111 HydrophobicContact CD1-CD2 4.01Å; L79-L111 HydrophobicContact CD1-CD1 3.43Å; L79-L111 VanDerWaalsContact CD1-CD1 3.43Å; V82-L111 HydrophobicContact CB-CD1 4.48Å; V82-L111 HydrophobicContact CG1-CD1 3.81Å; A107-L111 WeakPolarHBondContact O-CB 3.19Å; A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.22Å; S109-L111 PolarHBondContact O-N 3.49Å; L111-V113 VanDerWaalsContact C-N 3.29Å; L111-V113 HydrophobicContact CB-CG2 4.12Å; L111-V113 PolarHBondContact O-N 2.98Å
112	Q	93.2	Very high	92.1	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	43.6	179.5	-55.6	178.7	-0.8	0	0	112.7	D49 S108 S109 F110 H114	D49-Q112 HydrophobicContact CB-CB 4Å; D49-Q112 VanDerWaalsContact CB-OE1 3.23Å; D49-Q112 PolarHBondContact N-O 2.93Å; S108-Q112 PolarHBondContact O-N 3Å; S109-Q112 PolarHBondContact O-N 3.3Å; S109-Q112 VanDerWaalsContact O-N 3.13Å; F110-Q112 PolarHBondContact O-N 2.76Å; Q112-H114 VanDerWaalsContact C-N 3.35Å; Q112-H114 PolarHBondContact O-N 3.4Å
113	V	93.5	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.			trans	-89.8	76.7	170.6	-174	0	0	0	0	107.8	V82 F85 I86 S108 L111 C115 L116 Q117	V82-V113 HydrophobicContact CG1-CG2 3.97Å; F85-V113 HydrophobicContact CD1-CG1 4.22Å; F85-V113 HydrophobicContact CE1-CG1 4.01Å; I86-V113 HydrophobicContact CD1-CG2 4.13Å; S108-V113 PolarHBondContact O-N 2.85Å; L111-V113 VanDerWaalsContact C-N 3.29Å; L111-V113 HydrophobicContact CB-CG2 4.12Å; L111-V113 PolarHBondContact O-N 2.98Å; V113-C115 VanDerWaalsContact C-N 3.28Å; V113-C115 PolarHBondContact O-N 3.16Å; V113-L116 HydrophobicContact CB-CB 4.33Å; V113-L116 HydrophobicContact CG1-CB 3.73Å; V113-L116 PolarHBondContact O-N 3.39Å; V113-Q117 PolarHBondContact O-N 3.28Å
114	H	91.2	Very high	91.8	Very high	100 Å²	100	36.4 Å²	36.4	46%	0.463	18%	0.178	S	C	.	.	H	α-helix	trans	-55.3	-37.8	-168.3	-61.2	-65.7	0	0	0	114.4	D49 Q112 K118	D49-H114 IonicContact OD2-CD2 2.95Å; D49-H114 PolarHBondContact OD2-CD2 3.42Å; D49-H114 IonicContact OD2-CE1 2.64Å; D49-H114 IonicContact OD2-NE2 3.08Å; D49-H114 PolarHBondContact OD2-NE2 2.66Å; Q112-H114 VanDerWaalsContact C-N 3.35Å; Q112-H114 PolarHBondContact O-N 3.4Å; H114-K118 WeakPolarHBondContact O-CB 3.33Å; H114-K118 PolarHBondContact O-N 3.3Å
115	C	90.4	Very high	91.4	Very high	77 Å²	77	38 Å²	38	52%	0.52	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-40.8	179.6	54.9	0	0	0	0	112.1	V113 M119	V113-C115 VanDerWaalsContact C-N 3.28Å; V113-C115 PolarHBondContact O-N 3.16Å; C115-M119 PolarHBondContact O-N 3.39Å
116	L	91.7	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74	-43.1	177.2	-176.9	58.1	0	0	0	110.9	V82 F85 I96 V104 V113 K118 M119 M120	V82-L116 HydrophobicContact CB-CD2 4.41Å; V82-L116 HydrophobicContact CG2-CD2 3.84Å; F85-L116 HydrophobicContact CB-CD2 4.08Å; F85-L116 HydrophobicContact CD1-CB 4.18Å; F85-L116 HydrophobicContact CD1-CD2 3.96Å; F85-L116 HydrophobicContact CD2-CD1 3.95Å; F85-L116 HydrophobicContact CD2-CD2 4.39Å; F85-L116 HydrophobicContact CE1-CB 3.93Å; F85-L116 HydrophobicContact CE2-CD1 4.04Å; F85-L116 HydrophobicContact CG-CD1 4.29Å; F85-L116 HydrophobicContact CG-CD2 3.89Å; F85-L116 HydrophobicContact CG-CG 4.5Å; F85-L116 HydrophobicContact CZ-CB 4.1Å; F85-L116 HydrophobicContact CZ-CD1 4.47Å; I96-L116 HydrophobicContact CD1-CD1 4.35Å; V104-L116 HydrophobicContact CG1-CD1 4.39Å; V104-L116 HydrophobicContact CG1-CD2 3.99Å; V104-L116 HydrophobicContact CG1-CG 4.27Å; V113-L116 HydrophobicContact CB-CB 4.33Å; V113-L116 HydrophobicContact CG1-CB 3.73Å; V113-L116 PolarHBondContact O-N 3.39Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.22Å; L116-M119 PolarHBondContact O-N 2.83Å; L116-M119 VanDerWaalsContact O-N 3.16Å; L116-M120 HydrophobicContact CD1-CG 4Å; L116-M120 HydrophobicContact CD1-SD 4.3Å; L116-M120 HydrophobicContact CG-CG 4.23Å; L116-M120 WeakPolarHBondContact O-CB 3.29Å; L116-M120 VanDerWaalsContact O-CG 3.3Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 2.64Å
117	Q	92.4	Very high	90.3	Very high	33 Å²	33	43 Å²	43	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-54	-49.8	174.8	178.3	-174.7	8.7	0	0	111.1	Y105 S109 V113 M119 M120 S121	Y105-Q117 HydrophobicContact CD2-CG 4.46Å; Y105-Q117 HydrophobicContact CE2-CG 3.96Å; S109-Q117 WeakPolarHBondContact OG-CG 3.4Å; S109-Q117 PolarHBondContact OG-NE2 3.18Å; V113-Q117 PolarHBondContact O-N 3.28Å; Q117-M119 VanDerWaalsContact C-N 3.33Å; Q117-M119 PolarHBondContact O-N 3.24Å; Q117-M120 PolarHBondContact O-N 3.46Å; Q117-S121 WeakPolarHBondContact O-CB 3.23Å; Q117-S121 PolarHBondContact O-N 3.23Å
118	K	91.1	Very high	89.7	Confident	153 Å²	153	44.4 Å²	44.4	67%	0.665	24%	0.238	S	C	*	.	H	α-helix	trans	-62.2	-39.7	179.5	-172.3	174.5	-176.2	176.6	0	112.4	H114 L116 L122	H114-K118 WeakPolarHBondContact O-CB 3.33Å; H114-K118 PolarHBondContact O-N 3.3Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.22Å; K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 2.97Å
119	M	90.3	Very high	89.2	Confident	59 Å²	59	46.7 Å²	46.7	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-44	176.1	-177.5	-179.5	-73.7	0	0	111.6	H93 C115 L116 Q117 S121 L122 R123	H93-M119 HydrophobicContact CB-CE 4.15Å; H93-M119 HydrophobicContact CB-SD 3.62Å; C115-M119 PolarHBondContact O-N 3.39Å; L116-M119 PolarHBondContact O-N 2.83Å; L116-M119 VanDerWaalsContact O-N 3.16Å; Q117-M119 VanDerWaalsContact C-N 3.33Å; Q117-M119 PolarHBondContact O-N 3.24Å; M119-S121 VanDerWaalsContact C-N 3.35Å; M119-L122 PolarHBondContact O-N 3.27Å; M119-R123 PolarHBondContact O-N 3.22Å
120	M	92.1	Very high	88.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-36.7	178.7	-68.5	-47.2	-54.6	0	0	112.1	I96 Y101 V104 Y105 L116 Q117 R123 L124	I96-M120 HydrophobicContact CD1-SD 4.01Å; Y101-M120 VanDerWaalsContact CA-CE 3.47Å; Y101-M120 HydrophobicContact CD1-CE 3.55Å; Y101-M120 HydrophobicContact CD2-CE 4.35Å; Y101-M120 HydrophobicContact CE1-CE 4.26Å; Y101-M120 HydrophobicContact CG-CE 3.58Å; Y101-M120 WeakPolarHBondContact O-CE 3.27Å; V104-M120 HydrophobicContact CB-CE 4.29Å; V104-M120 HydrophobicContact CB-CG 4.43Å; V104-M120 HydrophobicContact CB-SD 4.45Å; V104-M120 HydrophobicContact CG1-CG 3.93Å; V104-M120 HydrophobicContact CG1-SD 4.12Å; Y105-M120 HydrophobicContact CD2-CB 4.01Å; L116-M120 HydrophobicContact CD1-CG 4Å; L116-M120 HydrophobicContact CD1-SD 4.3Å; L116-M120 HydrophobicContact CG-CG 4.23Å; L116-M120 WeakPolarHBondContact O-CB 3.29Å; L116-M120 VanDerWaalsContact O-CG 3.3Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 2.64Å; Q117-M120 PolarHBondContact O-N 3.46Å; M120-R123 PolarHBondContact O-N 3.5Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 WeakPolarHBondContact O-CG 3.27Å; M120-L124 PolarHBondContact O-N 2.72Å
121	S	91.4	Very high	88.2	Confident	7 Å²	7	51.2 Å²	51.2	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-52.6	172.4	-177.1	0	0	0	0	111	Q117 M119 R123 L124 E125 D145	Q117-S121 WeakPolarHBondContact O-CB 3.23Å; Q117-S121 PolarHBondContact O-N 3.23Å; M119-S121 VanDerWaalsContact C-N 3.35Å; S121-R123 VanDerWaalsContact C-N 3.31Å; S121-R123 PolarHBondContact O-N 3.06Å; S121-L124 PolarHBondContact O-N 2.81Å; S121-E125 WeakPolarHBondContact O-CG 3.1Å; S121-E125 PolarHBondContact O-N 2.99Å; S121-D145 WeakPolarHBondContact CB-OD2 3.34Å; S121-D145 PolarHBondContact OG-OD2 2.94Å
122	L	88.6	Confident	88.1	Confident	103 Å²	103	52.4 Å²	52.4	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-35.7	176.5	-69.5	170.8	0	0	0	113.5	K118 M119	K118-L122 WeakPolarHBondContact O-CG 3.34Å; K118-L122 PolarHBondContact O-N 2.97Å; M119-L122 PolarHBondContact O-N 3.27Å
123	R	88.3	Confident	87.9	Confident	55 Å²	55	48.3 Å²	48.3	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-71.7	-40.4	176.6	-74.6	-172.8	175.5	177.4	1	112	H93 D94 Y101 M119 M120 S121 E125 G126 T127	H93-R123 PolarHBondContact O-NH1 3.09Å; H93-R123 PolarHBondContact O-NH2 3.17Å; D94-R123 IonicContact OD1-NH2 3.96Å; D94-R123 PolarHBondContact OD1-NH2 3.11Å; Y101-R123 HydrophobicContact CD2-CB 4.02Å; Y101-R123 HydrophobicContact CE2-CB 3.73Å; Y101-R123 HydrophobicContact CE2-CG 4.4Å; M119-R123 PolarHBondContact O-N 3.22Å; M120-R123 PolarHBondContact O-N 3.5Å; S121-R123 VanDerWaalsContact C-N 3.31Å; S121-R123 PolarHBondContact O-N 3.06Å; R123-E125 VanDerWaalsContact C-N 3.32Å; R123-E125 PolarHBondContact O-N 2.9Å; R123-G126 PolarHBondContact O-N 3.44Å; R123-T127 PolarHBondContact O-N 3.16Å
124	L	89.4	Confident	87.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-39.7	176.1	-78.4	171.9	0	0	0	111.5	Q102 Y105 M120 S121 G126 T127 L128 I136 L148	Q102-L124 HydrophobicContact CG-CD2 4.03Å; Y105-L124 HydrophobicContact CD1-CD1 4.07Å; Y105-L124 HydrophobicContact CD2-CD1 3.9Å; Y105-L124 HydrophobicContact CG-CD1 3.59Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 WeakPolarHBondContact O-CG 3.27Å; M120-L124 PolarHBondContact O-N 2.72Å; S121-L124 PolarHBondContact O-N 2.81Å; L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.13Å; L124-T127 WeakPolarHBondContact CA-OG1 3.27Å; L124-T127 PolarHBondContact O-N 3.07Å; L124-T127 PolarHBondContact O-OG1 3.41Å; L124-L128 PolarHBondContact O-N 2.94Å; L124-I136 HydrophobicContact CD2-CD1 4.06Å; L124-I136 HydrophobicContact CD2-CG1 4.3Å; L124-L148 HydrophobicContact CB-CD1 4.28Å; L124-L148 HydrophobicContact CD1-CD2 4.28Å
125	E	84.3	Confident	87.7	Confident	34 Å²	34	47.9 Å²	47.9	16%	0.159	27%	0.266	C	S	.	.	H	α-helix	trans	-54.1	-43.5	173.6	-68.9	174.9	168.4	0	0	112.3	S121 R123 T127 L128 L148 K151	S121-E125 WeakPolarHBondContact O-CG 3.1Å; S121-E125 PolarHBondContact O-N 2.99Å; R123-E125 VanDerWaalsContact C-N 3.32Å; R123-E125 PolarHBondContact O-N 2.9Å; E125-T127 PolarHBondContact O-N 3.47Å; E125-L128 WeakPolarHBondContact O-CG 3.33Å; E125-L128 PolarHBondContact O-N 3.2Å; E125-L148 HydrophobicContact CG-CD1 3.55Å; E125-K151 HydrophobicContact CB-CD 4.44Å; E125-K151 VanDerWaalsContact CD-CD 3.42Å; E125-K151 HydrophobicContact CG-CD 3.83Å; E125-K151 VanDerWaalsContact OE1-CD 3.31Å; E125-K151 WeakPolarHBondContact OE1-CD 3.21Å; E125-K151 IonicContact OE1-NZ 3.69Å; E125-K151 PolarHBondContact OE1-NZ 3.27Å; E125-K151 IonicContact OE2-NZ 3.06Å; E125-K151 PolarHBondContact OE2-NZ 2.99Å
126	G	79.4	Confident	87.7	Confident	72 Å²	72	44.2 Å²	44.2	74%	0.742	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.5	179.1	0	0	0	0	0	114.6	R123 L124	R123-G126 PolarHBondContact O-N 3.44Å; L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.13Å
127	T	85.1	Confident	87.7	Confident	47 Å²	47	44.3 Å²	44.3	29%	0.288	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	4.2	-179.7	61.1	0	0	0	0	113.7	Y101 R123 L124 E125 C129 N132	Y101-T127 HydrophobicContact CD2-CG2 4.11Å; Y101-T127 HydrophobicContact CE2-CG2 4.13Å; R123-T127 PolarHBondContact O-N 3.16Å; L124-T127 WeakPolarHBondContact CA-OG1 3.27Å; L124-T127 PolarHBondContact O-N 3.07Å; L124-T127 PolarHBondContact O-OG1 3.41Å; E125-T127 PolarHBondContact O-N 3.47Å; T127-C129 PolarHBondContact O-N 2.94Å; T127-N132 PolarHBondContact O-ND2 3.21Å
128	L	81.3	Confident	87.6	Confident	30 Å²	30	44.9 Å²	44.9	16%	0.157	25%	0.245	C	C	.	.			trans	-57.4	126.5	-178.9	-74.7	169.3	0	0	0	111.4	L124 E125 N132 V133 I136 A152 F155	L124-L128 PolarHBondContact O-N 2.94Å; E125-L128 WeakPolarHBondContact O-CG 3.33Å; E125-L128 PolarHBondContact O-N 3.2Å; L128-N132 WeakPolarHBondContact CA-OD1 3.46Å; L128-V133 HydrophobicContact CD2-CB 4.48Å; L128-V133 HydrophobicContact CD2-CG2 4.36Å; L128-I136 HydrophobicContact CD2-CB 4.18Å; L128-I136 HydrophobicContact CD2-CD1 3.85Å; L128-I136 HydrophobicContact CD2-CG2 4.01Å; L128-A152 HydrophobicContact CD2-CB 4.18Å; L128-F155 HydrophobicContact CB-CD2 4.31Å; L128-F155 HydrophobicContact CB-CG 4.31Å; L128-F155 HydrophobicContact CD1-CB 4.4Å
129	C	83	Confident	87.6	Confident	47 Å²	47	39.1 Å²	39.1	32%	0.318	22%	0.222	S	C	.	.			trans	-142.6	170.5	174.8	72.3	0	0	0	0	110.5	T127 D131 N132 V133	T127-C129 PolarHBondContact O-N 2.94Å; C129-D131 PolarHBondContact O-N 3.42Å; C129-N132 PolarHBondContact N-OD1 3Å; C129-N132 PolarHBondContact O-N 3.4Å; C129-N132 PolarHBondContact O-OD1 3Å; C129-N132 VanDerWaalsContact O-OD1 3.09Å; C129-N132 PolarHBondContact SG-ND2 2.83Å; C129-N132 VanDerWaalsContact SG-ND2 3.43Å; C129-V133 WeakPolarHBondContact O-CB 3.12Å; C129-V133 PolarHBondContact O-N 3.2Å
130	T	80.3	Confident	87.7	Confident	44 Å²	44	36.3 Å²	36.3	27%	0.27	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.5	-179.9	50	0	0	0	0	113	E159 L162	T130-E159 HydrophobicContact CG2-CB 4.29Å; T130-L162 HydrophobicContact CG2-CB 4.03Å
131	D	84.8	Confident	87.6	Confident	127 Å²	127	40.7 Å²	40.7	68%	0.679	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-24.6	-175	-57.4	-17.3	0	0	0	113.1	C129	C129-D131 PolarHBondContact O-N 3.42Å
132	N	88.3	Confident	87.5	Confident	24 Å²	24	45.3 Å²	45.3	13%	0.128	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-15.5	-174.4	73.2	13.5	0	0	0	114.3	T127 L128 C129 L134 K135 I136	T127-N132 PolarHBondContact O-ND2 3.21Å; L128-N132 WeakPolarHBondContact CA-OD1 3.46Å; C129-N132 PolarHBondContact N-OD1 3Å; C129-N132 PolarHBondContact O-N 3.4Å; C129-N132 PolarHBondContact O-OD1 3Å; C129-N132 VanDerWaalsContact O-OD1 3.09Å; C129-N132 PolarHBondContact SG-ND2 2.83Å; C129-N132 VanDerWaalsContact SG-ND2 3.43Å; N132-L134 VanDerWaalsContact C-N 3.29Å; N132-L134 PolarHBondContact O-N 2.59Å; N132-K135 PolarHBondContact O-N 2.83Å; N132-K135 VanDerWaalsContact O-N 3.08Å; N132-I136 HydrophobicContact CB-CD1 4.16Å; N132-I136 WeakPolarHBondContact O-CG1 3.31Å; N132-I136 PolarHBondContact O-N 3.3Å
133	V	88.6	Confident	87.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-56.1	-42.1	-173.6	60.9	0	0	0	0	112.4	L128 C129 I136 M137 A152 F155 L156	L128-V133 HydrophobicContact CD2-CB 4.48Å; L128-V133 HydrophobicContact CD2-CG2 4.36Å; C129-V133 WeakPolarHBondContact O-CB 3.12Å; C129-V133 PolarHBondContact O-N 3.2Å; V133-I136 PolarHBondContact O-N 3.31Å; V133-M137 WeakPolarHBondContact O-CB 3.2Å; V133-M137 PolarHBondContact O-N 2.92Å; V133-A152 HydrophobicContact CG2-CB 4.38Å; V133-A152 WeakPolarHBondContact CG2-O 3.37Å; V133-F155 HydrophobicContact CB-CD1 4.01Å; V133-F155 HydrophobicContact CB-CE1 4.44Å; V133-F155 HydrophobicContact CG1-CD1 4.5Å; V133-F155 HydrophobicContact CG2-CB 4.44Å; V133-F155 HydrophobicContact CG2-CD1 3.84Å; V133-L156 HydrophobicContact CG1-CD1 3.73Å; V133-L156 HydrophobicContact CG2-CB 3.96Å; V133-L156 HydrophobicContact CG2-CD1 4.14Å
134	L	91	Very high	87.6	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-40.6	-179.8	-71.5	170.2	0	0	0	111.9	N132 M137 N138 L156 I163 D169 F170 L173	N132-L134 VanDerWaalsContact C-N 3.29Å; N132-L134 PolarHBondContact O-N 2.59Å; L134-M137 HydrophobicContact CD2-CE 4.03Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 3.41Å; L134-N138 PolarHBondContact O-ND2 3.48Å; L134-L156 HydrophobicContact CD2-CD1 3.5Å; L134-L156 VanDerWaalsContact CD2-CD1 3.5Å; L134-L156 HydrophobicContact CD2-CD2 4.33Å; L134-L156 HydrophobicContact CG-CD1 3.95Å; L134-I163 HydrophobicContact CD1-CG2 4.13Å; L134-D169 HydrophobicContact CB-CB 3.88Å; L134-D169 HydrophobicContact CD1-CB 4.26Å; L134-F170 HydrophobicContact CD1-CB 3.73Å; L134-F170 HydrophobicContact CD1-CD2 4.09Å; L134-F170 HydrophobicContact CD1-CG 4.43Å; L134-F170 HydrophobicContact CD2-CD2 4.5Å; L134-L173 HydrophobicContact CD2-CD1 4.22Å; L134-L173 HydrophobicContact CD2-CD2 4.45Å
135	K	90	Very high	87.7	Confident	86 Å²	86	47 Å²	47	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-48.7	176.3	-64.2	-177.2	-173	177.8	0	110.9	N132 M137 N138 L139 D169	N132-K135 PolarHBondContact O-N 2.83Å; N132-K135 VanDerWaalsContact O-N 3.08Å; K135-M137 VanDerWaalsContact C-N 3.33Å; K135-M137 PolarHBondContact O-N 2.87Å; K135-N138 PolarHBondContact O-N 3.43Å; K135-N138 VanDerWaalsContact O-N 3.17Å; K135-L139 WeakPolarHBondContact O-CG 3.42Å; K135-L139 PolarHBondContact O-N 3.28Å; K135-D169 VanDerWaalsContact CE-OD1 3.28Å; K135-D169 WeakPolarHBondContact CE-OD1 3.44Å; K135-D169 WeakPolarHBondContact CE-OD2 3.35Å; K135-D169 HydrophobicContact CG-CB 4.35Å; K135-D169 WeakPolarHBondContact CG-OD1 3.31Å; K135-D169 IonicContact NZ-OD2 3Å
136	I	91	Very high	87.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-41.7	-179.9	-66.7	171.1	0	0	0	110.5	L124 L128 N132 V133 N138 L139 A140 L148 A152	L124-I136 HydrophobicContact CD2-CD1 4.06Å; L124-I136 HydrophobicContact CD2-CG1 4.3Å; L128-I136 HydrophobicContact CD2-CB 4.18Å; L128-I136 HydrophobicContact CD2-CD1 3.85Å; L128-I136 HydrophobicContact CD2-CG2 4.01Å; N132-I136 HydrophobicContact CB-CD1 4.16Å; N132-I136 WeakPolarHBondContact O-CG1 3.31Å; N132-I136 PolarHBondContact O-N 3.3Å; V133-I136 PolarHBondContact O-N 3.31Å; I136-N138 VanDerWaalsContact C-N 3.35Å; I136-N138 PolarHBondContact O-N 3.35Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-A140 VanDerWaalsContact O-CB 3.31Å; I136-A140 WeakPolarHBondContact O-CB 3.44Å; I136-A140 PolarHBondContact O-N 3.22Å; I136-L148 HydrophobicContact CG2-CD1 3.91Å; I136-L148 HydrophobicContact CG2-CD2 4.03Å; I136-L148 HydrophobicContact CG2-CG 3.98Å; I136-A152 HydrophobicContact CG2-CB 4.5Å
137	M	91.5	Very high	88.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-43.7	174.3	-177.5	-170.2	67.6	0	0	111.8	V133 L134 K135 A140 H141 F149 A152 I153 L156 L173 I181	V133-M137 WeakPolarHBondContact O-CB 3.2Å; V133-M137 PolarHBondContact O-N 2.92Å; L134-M137 HydrophobicContact CD2-CE 4.03Å; K135-M137 VanDerWaalsContact C-N 3.33Å; K135-M137 PolarHBondContact O-N 2.87Å; M137-A140 PolarHBondContact O-N 3.48Å; M137-H141 WeakPolarHBondContact O-CB 3.37Å; M137-H141 PolarHBondContact O-N 3.36Å; M137-F149 HydrophobicContact CG-CD2 3.78Å; M137-F149 HydrophobicContact CG-CE2 3.46Å; M137-F149 VanDerWaalsContact CG-CE2 3.46Å; M137-F149 HydrophobicContact CG-CZ 4.23Å; M137-F149 WeakPolarHBondContact O-CD2 3.47Å; M137-F149 HydrophobicContact SD-CE2 4.24Å; M137-A152 HydrophobicContact CB-CB 3.99Å; M137-I153 HydrophobicContact SD-CB 4.49Å; M137-I153 HydrophobicContact SD-CG1 4.39Å; M137-L156 HydrophobicContact SD-CD2 4.03Å; M137-L173 HydrophobicContact CE-CD2 3.85Å; M137-I181 HydrophobicContact CE-CD1 4.13Å
138	N	90.3	Very high	88.4	Confident	45 Å²	45	48 Å²	48	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.1	-73.8	-23.3	0	0	0	111.9	L134 K135 I136 H141 L142 Q177	L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 3.41Å; L134-N138 PolarHBondContact O-ND2 3.48Å; K135-N138 PolarHBondContact O-N 3.43Å; K135-N138 VanDerWaalsContact O-N 3.17Å; I136-N138 VanDerWaalsContact C-N 3.35Å; I136-N138 PolarHBondContact O-N 3.35Å; N138-H141 PolarHBondContact O-N 2.85Å; N138-L142 WeakPolarHBondContact O-CB 3.12Å; N138-L142 PolarHBondContact O-N 3.42Å; N138-Q177 PolarHBondContact OD1-NE2 3.48Å
139	L	90.5	Very high	88.8	Confident	32 Å²	32	47 Å²	47	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-43.7	176.6	-70.6	177.6	0	0	0	112.1	Q102 Y105 V106 K135 I136 H141 L142 F143	Q102-L139 HydrophobicContact CB-CD1 4.23Å; Q102-L139 HydrophobicContact CG-CD1 4.41Å; Y105-L139 HydrophobicContact CD1-CB 4.32Å; Y105-L139 HydrophobicContact CE1-CB 4.07Å; V106-L139 HydrophobicContact CG2-CD1 4.21Å; V106-L139 HydrophobicContact CG2-CD2 3.61Å; K135-L139 WeakPolarHBondContact O-CG 3.42Å; K135-L139 PolarHBondContact O-N 3.28Å; I136-L139 PolarHBondContact O-N 3.33Å; L139-H141 VanDerWaalsContact C-N 3.28Å; L139-H141 PolarHBondContact O-N 3.01Å; L139-L142 PolarHBondContact O-N 2.72Å; L139-F143 HydrophobicContact CD2-CE2 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.31Å; L139-F143 PolarHBondContact O-N 2.95Å; L139-F143 VanDerWaalsContact O-N 3.13Å
140	A	92.1	Very high	88.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-40.7	176.7	0	0	0	0	0	111.3	I136 M137 D144 D145 L148 F149	I136-A140 VanDerWaalsContact O-CB 3.31Å; I136-A140 WeakPolarHBondContact O-CB 3.44Å; I136-A140 PolarHBondContact O-N 3.22Å; M137-A140 PolarHBondContact O-N 3.48Å; A140-D144 PolarHBondContact O-N 2.8Å; A140-D145 HydrophobicContact CB-CB 4.47Å; A140-D145 PolarHBondContact O-N 3.31Å; A140-L148 HydrophobicContact CB-CB 3.95Å; A140-L148 HydrophobicContact CB-CD2 3.95Å; A140-L148 HydrophobicContact CB-CG 3.84Å; A140-F149 HydrophobicContact CB-CB 3.83Å
141	H	89.9	Confident	88.6	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-67.3	-38.8	174.9	-171.7	45.7	0	0	0	112.9	M137 N138 L139 F143 D144 F149	M137-H141 WeakPolarHBondContact O-CB 3.37Å; M137-H141 PolarHBondContact O-N 3.36Å; N138-H141 PolarHBondContact O-N 2.85Å; L139-H141 VanDerWaalsContact C-N 3.28Å; L139-H141 PolarHBondContact O-N 3.01Å; H141-F143 VanDerWaalsContact C-N 3.31Å; H141-F143 PolarHBondContact O-N 2.96Å; H141-D144 PolarHBondContact O-N 2.91Å; H141-F149 HydrophobicContact CB-CD2 3.86Å; H141-F149 HydrophobicContact CB-CE2 3.95Å
142	L	89	Confident	88.6	Confident	104 Å²	104	47.1 Å²	47.1	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-35.4	-179.3	-178.8	64.8	0	0	0	112.7	N138 L139	N138-L142 WeakPolarHBondContact O-CB 3.12Å; N138-L142 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 2.72Å
143	F	89.5	Confident	88.4	Confident	44 Å²	44	46.4 Å²	46.4	19%	0.193	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	14	-177.5	-66.3	-68.3	0	0	0	113.9	Y105 V106 S109 F110 L139 H141 D145	Y105-F143 HydrophobicContact CD1-CD2 4.42Å; Y105-F143 AromaticContact CE1-CD2 3.78Å; Y105-F143 HydrophobicContact CE1-CD2 3.78Å; Y105-F143 HydrophobicContact CE1-CE2 4.48Å; V106-F143 HydrophobicContact CB-CE2 4.25Å; V106-F143 HydrophobicContact CB-CZ 4.38Å; V106-F143 HydrophobicContact CG1-CE2 4.25Å; V106-F143 HydrophobicContact CG1-CZ 3.98Å; V106-F143 HydrophobicContact CG2-CE2 4.05Å; S109-F143 VanDerWaalsContact CB-CG 3.42Å; F110-F143 HydrophobicContact CB-CE1 4.42Å; L139-F143 HydrophobicContact CD2-CE2 4.44Å; L139-F143 WeakPolarHBondContact O-CD2 3.31Å; L139-F143 PolarHBondContact O-N 2.95Å; L139-F143 VanDerWaalsContact O-N 3.13Å; H141-F143 VanDerWaalsContact C-N 3.31Å; H141-F143 PolarHBondContact O-N 2.96Å; F143-D145 PolarHBondContact O-N 3.02Å
144	D	90.3	Very high	87.7	Confident	135 Å²	135	51 Å²	51	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.9	-179.4	-63.7	-42	0	0	0	114.1	A140 H141 E146	A140-D144 PolarHBondContact O-N 2.8Å; H141-D144 PolarHBondContact O-N 2.91Å; D144-E146 PolarHBondContact O-N 3.19Å; D144-E146 VanDerWaalsContact O-N 3.11Å
145	D	90.8	Very high	87	Confident	17 Å²	17	53.6 Å²	53.6	9%	0.091	26%	0.264	C	S	.	.			trans	-83.7	81.7	172	-170.1	-21	0	0	0	109.9	Y105 S121 A140 F143 P147 L148 F149	Y105-D145 WeakPolarHBondContact OH-CB 3.4Å; Y105-D145 PolarHBondContact OH-OD2 3.44Å; S121-D145 WeakPolarHBondContact CB-OD2 3.34Å; S121-D145 PolarHBondContact OG-OD2 2.94Å; A140-D145 HydrophobicContact CB-CB 4.47Å; A140-D145 PolarHBondContact O-N 3.31Å; F143-D145 PolarHBondContact O-N 3.02Å; D145-P147 WeakPolarHBondContact OD1-CD 3.43Å; D145-L148 HydrophobicContact CB-CB 4.2Å; D145-L148 VanDerWaalsContact CG-CB 3.49Å; D145-L148 PolarHBondContact O-N 3.42Å; D145-L148 WeakPolarHBondContact OD1-CB 3.29Å; D145-L148 PolarHBondContact OD1-N 2.89Å; D145-L148 VanDerWaalsContact OD1-N 3.07Å; D145-F149 WeakPolarHBondContact O-CB 3.5Å; D145-F149 PolarHBondContact O-N 3.49Å
146	E	89.9	Confident	86.7	Confident	90 Å²	90	49.6 Å²	49.6	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-56.4	-44.4	178.2	-83.8	-71.6	154.6	0	0	114.2	D144 F149 K150	D144-E146 PolarHBondContact O-N 3.19Å; D144-E146 VanDerWaalsContact O-N 3.11Å; E146-F149 PolarHBondContact O-N 3.43Å; E146-K150 WeakPolarHBondContact O-CB 3.44Å; E146-K150 WeakPolarHBondContact O-CG 3.2Å; E146-K150 PolarHBondContact O-N 3.4Å; E146-K150 WeakPolarHBondContact OE2-CE 3.46Å
147	P	86.5	Confident	86.2	Confident	83 Å²	83	51.1 Å²	51.1	54%	0.539	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-50.1	175.1	-26	32.1	0	0	0	113.6	D145 K150 K151	D145-P147 WeakPolarHBondContact OD1-CD 3.43Å; P147-K150 PolarHBondContact O-N 2.82Å; P147-K151 PolarHBondContact O-N 3.02Å
148	L	88.5	Confident	85.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-42.4	-179.9	-177.3	60.4	0	0	0	111	Y105 L124 E125 I136 A140 D145 K150 K151 A152	Y105-L148 HydrophobicContact CE2-CD2 4.19Å; L124-L148 HydrophobicContact CB-CD1 4.28Å; L124-L148 HydrophobicContact CD1-CD2 4.28Å; E125-L148 HydrophobicContact CG-CD1 3.55Å; I136-L148 HydrophobicContact CG2-CD1 3.91Å; I136-L148 HydrophobicContact CG2-CD2 4.03Å; I136-L148 HydrophobicContact CG2-CG 3.98Å; A140-L148 HydrophobicContact CB-CB 3.95Å; A140-L148 HydrophobicContact CB-CD2 3.95Å; A140-L148 HydrophobicContact CB-CG 3.84Å; D145-L148 HydrophobicContact CB-CB 4.2Å; D145-L148 VanDerWaalsContact CG-CB 3.49Å; D145-L148 PolarHBondContact O-N 3.42Å; D145-L148 WeakPolarHBondContact OD1-CB 3.29Å; D145-L148 PolarHBondContact OD1-N 2.89Å; D145-L148 VanDerWaalsContact OD1-N 3.07Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 2.9Å; L148-K151 PolarHBondContact O-N 3.17Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.46Å
149	F	89.4	Confident	84.2	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.044	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-45.7	177.9	-178.3	-89.6	0	0	0	111.5	M137 A140 H141 D145 E146 K151 A152 I153 K180	M137-F149 HydrophobicContact CG-CD2 3.78Å; M137-F149 HydrophobicContact CG-CE2 3.46Å; M137-F149 VanDerWaalsContact CG-CE2 3.46Å; M137-F149 HydrophobicContact CG-CZ 4.23Å; M137-F149 WeakPolarHBondContact O-CD2 3.47Å; M137-F149 HydrophobicContact SD-CE2 4.24Å; A140-F149 HydrophobicContact CB-CB 3.83Å; H141-F149 HydrophobicContact CB-CD2 3.86Å; H141-F149 HydrophobicContact CB-CE2 3.95Å; D145-F149 WeakPolarHBondContact O-CB 3.5Å; D145-F149 PolarHBondContact O-N 3.49Å; E146-F149 PolarHBondContact O-N 3.43Å; F149-K151 PolarHBondContact O-N 3.45Å; F149-A152 PolarHBondContact O-N 3.37Å; F149-I153 HydrophobicContact CE1-CB 4.38Å; F149-I153 HydrophobicContact CE1-CD1 3.99Å; F149-I153 HydrophobicContact CE1-CG2 4.32Å; F149-I153 HydrophobicContact CZ-CD1 4.03Å; F149-I153 WeakPolarHBondContact O-CB 3.42Å; F149-I153 WeakPolarHBondContact O-CG2 3.5Å; F149-I153 PolarHBondContact O-N 2.73Å; F149-K180 HydrophobicContact CE1-CD 4.31Å; F149-K180 HydrophobicContact CZ-CD 4.16Å
150	K	83.5	Confident	83.9	Confident	122 Å²	122	55 Å²	55	53%	0.53	27%	0.268	S	S	.	.	H	α-helix	trans	-62.6	-41.8	178.9	-77.2	178.3	-176.2	178.1	0	112.4	E146 P147 L148 I153 L154	E146-K150 WeakPolarHBondContact O-CB 3.44Å; E146-K150 WeakPolarHBondContact O-CG 3.2Å; E146-K150 PolarHBondContact O-N 3.4Å; E146-K150 WeakPolarHBondContact OE2-CE 3.46Å; P147-K150 PolarHBondContact O-N 2.82Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 2.9Å; K150-I153 WeakPolarHBondContact O-CG2 3.15Å; K150-L154 WeakPolarHBondContact O-CB 3.34Å; K150-L154 WeakPolarHBondContact O-CD1 3.44Å; K150-L154 WeakPolarHBondContact O-CG 3.15Å; K150-L154 PolarHBondContact O-N 3.45Å; K150-L154 VanDerWaalsContact O-N 3.11Å
151	K	76.4	Confident	83.2	Confident	98 Å²	98	59.8 Å²	59.8	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-42.9	176.2	-77.9	-179.4	-176.6	160.3	0	112.1	E125 P147 L148 F149 I153 L154 F155	E125-K151 HydrophobicContact CB-CD 4.44Å; E125-K151 VanDerWaalsContact CD-CD 3.42Å; E125-K151 HydrophobicContact CG-CD 3.83Å; E125-K151 VanDerWaalsContact OE1-CD 3.31Å; E125-K151 WeakPolarHBondContact OE1-CD 3.21Å; E125-K151 IonicContact OE1-NZ 3.69Å; E125-K151 PolarHBondContact OE1-NZ 3.27Å; E125-K151 IonicContact OE2-NZ 3.06Å; E125-K151 PolarHBondContact OE2-NZ 2.99Å; P147-K151 PolarHBondContact O-N 3.02Å; L148-K151 PolarHBondContact O-N 3.17Å; F149-K151 PolarHBondContact O-N 3.45Å; K151-I153 PolarHBondContact O-N 2.85Å; K151-L154 PolarHBondContact O-N 3.44Å; K151-F155 WeakPolarHBondContact O-CB 3.48Å; K151-F155 PolarHBondContact O-N 2.95Å
152	A	83.6	Confident	82.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-43.6	178.2	0	0	0	0	0	111.8	L128 V133 I136 M137 L148 F149 F155 L156	L128-A152 HydrophobicContact CD2-CB 4.18Å; V133-A152 HydrophobicContact CG2-CB 4.38Å; V133-A152 WeakPolarHBondContact CG2-O 3.37Å; I136-A152 HydrophobicContact CG2-CB 4.5Å; M137-A152 HydrophobicContact CB-CB 3.99Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.46Å; F149-A152 PolarHBondContact O-N 3.37Å; A152-F155 PolarHBondContact O-N 3.08Å; A152-L156 WeakPolarHBondContact O-CB 3.27Å; A152-L156 PolarHBondContact O-N 3.23Å
153	I	83.8	Confident	82.4	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.046	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-34.4	178.8	-159.5	171.9	0	0	0	112.6	M137 F149 K150 K151 L156 W157 K180	M137-I153 HydrophobicContact SD-CB 4.49Å; M137-I153 HydrophobicContact SD-CG1 4.39Å; F149-I153 HydrophobicContact CE1-CB 4.38Å; F149-I153 HydrophobicContact CE1-CD1 3.99Å; F149-I153 HydrophobicContact CE1-CG2 4.32Å; F149-I153 HydrophobicContact CZ-CD1 4.03Å; F149-I153 WeakPolarHBondContact O-CB 3.42Å; F149-I153 WeakPolarHBondContact O-CG2 3.5Å; F149-I153 PolarHBondContact O-N 2.73Å; K150-I153 WeakPolarHBondContact O-CG2 3.15Å; K151-I153 PolarHBondContact O-N 2.85Å; I153-L156 WeakPolarHBondContact O-CB 3.18Å; I153-L156 PolarHBondContact O-N 3.33Å; I153-W157 HydrophobicContact CD1-CH2 3.83Å; I153-W157 HydrophobicContact CD1-CZ2 3.48Å; I153-W157 VanDerWaalsContact CD1-CZ2 3.48Å; I153-W157 HydrophobicContact CG1-CD2 4.15Å; I153-W157 HydrophobicContact CG1-CE3 4.45Å; I153-W157 HydrophobicContact CG1-CH2 4.04Å; I153-W157 HydrophobicContact CG1-CZ2 3.69Å; I153-W157 HydrophobicContact CG1-CZ3 4.41Å; I153-W157 HydrophobicContact CG2-CH2 4.32Å; I153-W157 HydrophobicContact CG2-CZ3 4.23Å; I153-W157 PolarHBondContact O-N 3.29Å; I153-K180 HydrophobicContact CD1-CG 4.35Å
154	L	75.4	Confident	82.2	Confident	98 Å²	98	58.8 Å²	58.8	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-42.8	173.3	-74.1	168.9	0	0	0	111.3	K150 K151 W157 H158	K150-L154 WeakPolarHBondContact O-CB 3.34Å; K150-L154 WeakPolarHBondContact O-CD1 3.44Å; K150-L154 WeakPolarHBondContact O-CG 3.15Å; K150-L154 PolarHBondContact O-N 3.45Å; K150-L154 VanDerWaalsContact O-N 3.11Å; K151-L154 PolarHBondContact O-N 3.44Å; L154-W157 HydrophobicContact CD2-CE3 4.08Å; L154-W157 HydrophobicContact CD2-CZ3 4.23Å; L154-W157 PolarHBondContact O-N 2.99Å; L154-H158 WeakPolarHBondContact O-CB 3.47Å; L154-H158 PolarHBondContact O-N 3.09Å
155	F	75.6	Confident	82	Confident	60 Å²	60	53.5 Å²	53.5	26%	0.263	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-45	173.9	-174.1	-85.1	0	0	0	111.3	L128 V133 K151 A152 W157 H158 E159	L128-F155 HydrophobicContact CB-CD2 4.31Å; L128-F155 HydrophobicContact CB-CG 4.31Å; L128-F155 HydrophobicContact CD1-CB 4.4Å; V133-F155 HydrophobicContact CB-CD1 4.01Å; V133-F155 HydrophobicContact CB-CE1 4.44Å; V133-F155 HydrophobicContact CG1-CD1 4.5Å; V133-F155 HydrophobicContact CG2-CB 4.44Å; V133-F155 HydrophobicContact CG2-CD1 3.84Å; K151-F155 WeakPolarHBondContact O-CB 3.48Å; K151-F155 PolarHBondContact O-N 2.95Å; A152-F155 PolarHBondContact O-N 3.08Å; F155-W157 VanDerWaalsContact C-N 3.29Å; F155-W157 PolarHBondContact O-N 2.8Å; F155-H158 PolarHBondContact O-N 3.43Å; F155-E159 HydrophobicContact CE1-CB 4.31Å; F155-E159 HydrophobicContact CE1-CG 4.05Å; F155-E159 HydrophobicContact CE2-CG 4.3Å; F155-E159 HydrophobicContact CZ-CG 3.91Å; F155-E159 PolarHBondContact O-N 3.27Å
156	L	83.6	Confident	81.8	Confident	2 Å²	2	58 Å²	58	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-55.5	-45.5	175.7	-173.7	82.5	0	0	0	111.5	V133 L134 M137 A152 I153 F160 I163 I181	V133-L156 HydrophobicContact CG1-CD1 3.73Å; V133-L156 HydrophobicContact CG2-CB 3.96Å; V133-L156 HydrophobicContact CG2-CD1 4.14Å; L134-L156 HydrophobicContact CD2-CD1 3.5Å; L134-L156 VanDerWaalsContact CD2-CD1 3.5Å; L134-L156 HydrophobicContact CD2-CD2 4.33Å; L134-L156 HydrophobicContact CG-CD1 3.95Å; M137-L156 HydrophobicContact SD-CD2 4.03Å; A152-L156 WeakPolarHBondContact O-CB 3.27Å; A152-L156 PolarHBondContact O-N 3.23Å; I153-L156 WeakPolarHBondContact O-CB 3.18Å; I153-L156 PolarHBondContact O-N 3.33Å; L156-F160 WeakPolarHBondContact O-CA 3.38Å; L156-F160 WeakPolarHBondContact O-CB 3.49Å; L156-F160 PolarHBondContact O-N 3.29Å; L156-F160 VanDerWaalsContact O-N 3.09Å; L156-I163 HydrophobicContact CD1-CD1 3.25Å; L156-I163 HydrophobicContact CG-CD1 3.85Å; L156-I181 HydrophobicContact CD2-CD1 3.9Å; L156-I181 HydrophobicContact CD2-CG1 3.92Å; L156-I181 HydrophobicContact CD2-CG2 4.13Å
157	W	80.3	Confident	81.7	Confident	32 Å²	32	55 Å²	55	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-39.8	178.2	-72.8	-29	0	0	0	112.3	I153 L154 F155 I181 S184 Q186 I187 N188	I153-W157 HydrophobicContact CD1-CH2 3.83Å; I153-W157 HydrophobicContact CD1-CZ2 3.48Å; I153-W157 VanDerWaalsContact CD1-CZ2 3.48Å; I153-W157 HydrophobicContact CG1-CD2 4.15Å; I153-W157 HydrophobicContact CG1-CE3 4.45Å; I153-W157 HydrophobicContact CG1-CH2 4.04Å; I153-W157 HydrophobicContact CG1-CZ2 3.69Å; I153-W157 HydrophobicContact CG1-CZ3 4.41Å; I153-W157 HydrophobicContact CG2-CH2 4.32Å; I153-W157 HydrophobicContact CG2-CZ3 4.23Å; I153-W157 PolarHBondContact O-N 3.29Å; L154-W157 HydrophobicContact CD2-CE3 4.08Å; L154-W157 HydrophobicContact CD2-CZ3 4.23Å; L154-W157 PolarHBondContact O-N 2.99Å; F155-W157 VanDerWaalsContact C-N 3.29Å; F155-W157 PolarHBondContact O-N 2.8Å; W157-I181 PolarHBondContact NE1-O 3.4Å; W157-I181 VanDerWaalsContact NE1-O 3.13Å; W157-S184 VanDerWaalsContact CE2-CB 3.47Å; W157-S184 VanDerWaalsContact CH2-OG 3.25Å; W157-S184 WeakPolarHBondContact CH2-OG 3.38Å; W157-S184 WeakPolarHBondContact CZ2-OG 3.43Å; W157-Q186 HydrophobicContact CD2-CB 3.97Å; W157-Q186 HydrophobicContact CE3-CB 3.55Å; W157-Q186 HydrophobicContact CE3-CG 4.25Å; W157-Q186 HydrophobicContact CG-CB 4.4Å; W157-Q186 HydrophobicContact CZ3-CB 4.06Å; W157-Q186 HydrophobicContact CZ3-CG 4.3Å; W157-I187 HydrophobicContact CG-CG1 4.37Å; W157-N188 WeakPolarHBondContact O-CA 3.49Å; W157-N188 WeakPolarHBondContact O-CB 3.49Å; W157-N188 PolarHBondContact O-N 2.77Å
158	H	68.8	Low	81.7	Confident	106 Å²	106	54.7 Å²	54.7	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-43.4	179.8	-174.2	-88.6	0	0	0	113.1	L154 F155 N188	L154-H158 WeakPolarHBondContact O-CB 3.47Å; L154-H158 PolarHBondContact O-N 3.09Å; F155-H158 PolarHBondContact O-N 3.43Å; H158-N188 VanDerWaalsContact O-CB 3.26Å; H158-N188 WeakPolarHBondContact O-CB 3.35Å; H158-N188 PolarHBondContact O-ND2 3.44Å
159	E	72	Confident	81.6	Confident	52 Å²	52	56.2 Å²	56.2	24%	0.243	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	18.5	-177.8	-63.2	-57.9	148.6	0	0	112.7	T130 F155 Q161 L162	T130-E159 HydrophobicContact CG2-CB 4.29Å; F155-E159 HydrophobicContact CE1-CB 4.31Å; F155-E159 HydrophobicContact CE1-CG 4.05Å; F155-E159 HydrophobicContact CE2-CG 4.3Å; F155-E159 HydrophobicContact CZ-CG 3.91Å; F155-E159 PolarHBondContact O-N 3.27Å; E159-Q161 PolarHBondContact O-N 3.06Å; E159-Q161 VanDerWaalsContact O-N 3.12Å; E159-L162 PolarHBondContact O-N 2.99Å; E159-L162 WeakPolarHBondContact OE2-CD1 3.28Å
160	F	82.8	Confident	81.6	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55	-40.3	-168.5	-168.7	-96.3	0	0	0	113	L156 L162 I163 Y165 I181 F182 I187 I189 V195 A198	L156-F160 WeakPolarHBondContact O-CA 3.38Å; L156-F160 WeakPolarHBondContact O-CB 3.49Å; L156-F160 PolarHBondContact O-N 3.29Å; L156-F160 VanDerWaalsContact O-N 3.09Å; F160-L162 PolarHBondContact O-N 3.43Å; F160-I163 HydrophobicContact CD2-CD1 3.93Å; F160-I163 HydrophobicContact CE2-CD1 4.48Å; F160-I163 HydrophobicContact CG-CD1 4.48Å; F160-I163 WeakPolarHBondContact O-CB 2.81Å; F160-I163 PolarHBondContact O-N 3.24Å; F160-Y165 HydrophobicContact CD1-CE1 4.43Å; F160-Y165 AromaticContact CE1-CE1 3.89Å; F160-Y165 HydrophobicContact CE1-CE1 3.89Å; F160-Y165 AromaticContact CZ-CE1 3.98Å; F160-Y165 HydrophobicContact CZ-CE1 3.98Å; F160-Y165 PolarHBondContact O-OH 3.33Å; F160-I181 HydrophobicContact CE2-CG2 4.06Å; F160-F182 HydrophobicContact CE1-CE1 4.04Å; F160-F182 HydrophobicContact CE2-CE1 4.22Å; F160-F182 HydrophobicContact CE2-CZ 4.28Å; F160-F182 HydrophobicContact CZ-CD1 4.48Å; F160-F182 AromaticContact CZ-CE1 3.42Å; F160-F182 HydrophobicContact CZ-CE1 3.42Å; F160-F182 VanDerWaalsContact CZ-CE1 3.42Å; F160-F182 AromaticContact CZ-CZ 3.6Å; F160-F182 HydrophobicContact CZ-CZ 3.6Å; F160-I187 HydrophobicContact CB-CG2 3.65Å; F160-I187 HydrophobicContact CD1-CG2 3.59Å; F160-I187 HydrophobicContact CD2-CG2 3.92Å; F160-I187 HydrophobicContact CE1-CG2 4.24Å; F160-I187 HydrophobicContact CG-CG2 3.41Å; F160-I187 VanDerWaalsContact CG-CG2 3.41Å; F160-I189 HydrophobicContact CD1-CG2 3.7Å; F160-I189 HydrophobicContact CE1-CG2 4.44Å; F160-V195 HydrophobicContact CE1-CG2 4.43Å; F160-A198 HydrophobicContact CE1-CB 4.34Å; F160-A198 HydrophobicContact CZ-CB 4.16Å
161	Q	77.6	Confident	81.8	Confident	100 Å²	100	50.5 Å²	50.5	47%	0.467	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21.5	-179.5	-171.8	164.5	-24.8	0	0	113.9	E159 S190	E159-Q161 PolarHBondContact O-N 3.06Å; E159-Q161 VanDerWaalsContact O-N 3.12Å; Q161-S190 PolarHBondContact NE2-OG 3.41Å; Q161-S190 PolarHBondContact OE1-OG 3.19Å
162	L	77.7	Confident	82.4	Confident	117 Å²	117	50.6 Å²	50.6	61%	0.613	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-94.3	-2.9	179.8	-59	-174.9	0	0	0	113.5	T130 E159 F160	T130-L162 HydrophobicContact CG2-CB 4.03Å; E159-L162 PolarHBondContact O-N 2.99Å; E159-L162 WeakPolarHBondContact OE2-CD1 3.28Å; F160-L162 PolarHBondContact O-N 3.43Å
163	I	84.7	Confident	82.7	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.051	26%	0.257	C	S	.	.	S	Bend	trans	-74.5	135.6	-177.1	-62.1	175.7	0	0	0	110.6	L134 L156 F160 Y165	L134-I163 HydrophobicContact CD1-CG2 4.13Å; L156-I163 HydrophobicContact CD1-CD1 3.25Å; L156-I163 HydrophobicContact CG-CD1 3.85Å; F160-I163 HydrophobicContact CD2-CD1 3.93Å; F160-I163 HydrophobicContact CE2-CD1 4.48Å; F160-I163 HydrophobicContact CG-CD1 4.48Å; F160-I163 WeakPolarHBondContact O-CB 2.81Å; F160-I163 PolarHBondContact O-N 3.24Å; I163-Y165 HydrophobicContact CB-CD1 4.44Å; I163-Y165 HydrophobicContact CB-CE1 4.07Å; I163-Y165 HydrophobicContact CG2-CD1 4.29Å; I163-Y165 HydrophobicContact CG2-CE1 4.39Å; I163-Y165 PolarHBondContact O-N 2.8Å; I163-Y165 VanDerWaalsContact O-N 3.15Å
164	D	84.9	Confident	83	Confident	92 Å²	92	53.8 Å²	53.8	49%	0.492	28%	0.277	S	S	.	.			trans	-75.4	101.1	168.4	-177.6	12.9	0	0	0	111.2	F166 S167	D164-F166 PolarHBondContact O-N 2.94Å; D164-F166 WeakPolarHBondContact OD1-CB 3.49Å; D164-F166 PolarHBondContact OD1-N 3.46Å; D164-S167 VanDerWaalsContact O-CB 3.27Å; D164-S167 WeakPolarHBondContact O-CB 3.31Å; D164-S167 PolarHBondContact O-N 2.65Å; D164-S167 VanDerWaalsContact O-N 3.16Å; D164-S167 PolarHBondContact O-OG 2.91Å
165	Y	86.7	Confident	83.7	Confident	25 Å²	25	52 Å²	52	10%	0.098	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.3	177.1	-47.3	-51.3	0	0	0	113.4	F160 I163 S167 F170 V194 A198 V201	F160-Y165 HydrophobicContact CD1-CE1 4.43Å; F160-Y165 AromaticContact CE1-CE1 3.89Å; F160-Y165 HydrophobicContact CE1-CE1 3.89Å; F160-Y165 AromaticContact CZ-CE1 3.98Å; F160-Y165 HydrophobicContact CZ-CE1 3.98Å; F160-Y165 PolarHBondContact O-OH 3.33Å; I163-Y165 HydrophobicContact CB-CD1 4.44Å; I163-Y165 HydrophobicContact CB-CE1 4.07Å; I163-Y165 HydrophobicContact CG2-CD1 4.29Å; I163-Y165 HydrophobicContact CG2-CE1 4.39Å; I163-Y165 PolarHBondContact O-N 2.8Å; I163-Y165 VanDerWaalsContact O-N 3.15Å; Y165-S167 VanDerWaalsContact C-N 3.29Å; Y165-F170 HydrophobicContact CD1-CD2 4.45Å; Y165-F170 HydrophobicContact CD1-CE1 4.5Å; Y165-F170 HydrophobicContact CD1-CE2 4.2Å; Y165-F170 HydrophobicContact CD1-CZ 4.23Å; Y165-F170 VanDerWaalsContact O-CD1 3.25Å; Y165-F170 WeakPolarHBondContact O-CD1 3.48Å; Y165-V194 HydrophobicContact CE2-CG1 4.16Å; Y165-V194 WeakPolarHBondContact OH-CG1 3.41Å; Y165-A198 HydrophobicContact CD1-CB 3.72Å; Y165-A198 HydrophobicContact CD2-CB 4.23Å; Y165-A198 HydrophobicContact CE1-CB 3.88Å; Y165-A198 HydrophobicContact CE2-CB 4.38Å; Y165-A198 HydrophobicContact CG-CB 3.93Å; Y165-V201 WeakPolarHBondContact O-CG1 3.34Å
166	F	85.5	Confident	84.4	Confident	111 Å²	111	57.3 Å²	57.3	49%	0.487	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.5	177.4	-61.1	-84.4	0	0	0	112.8	D164 V201 K240	D164-F166 PolarHBondContact O-N 2.94Å; D164-F166 WeakPolarHBondContact OD1-CB 3.49Å; D164-F166 PolarHBondContact OD1-N 3.46Å; F166-V201 HydrophobicContact CD1-CG1 3.79Å; F166-V201 HydrophobicContact CD1-CG2 4.36Å; F166-V201 HydrophobicContact CE1-CG1 3.93Å; F166-V201 HydrophobicContact CE1-CG2 3.72Å; F166-V201 HydrophobicContact CE2-CG2 4.26Å; F166-V201 HydrophobicContact CG-CG1 4.28Å; F166-V201 HydrophobicContact CZ-CG2 3.65Å; F166-K240 HydrophobicContact CZ-CD 4.04Å
167	S	88.2	Confident	84.7	Confident	27 Å²	27	58.3 Å²	58.3	19%	0.189	30%	0.298	C	S	.	.	S	Bend	trans	-59.1	144.3	174.8	66.8	0	0	0	0	111.5	D164 Y165 D169 F170 V171	D164-S167 VanDerWaalsContact O-CB 3.27Å; D164-S167 WeakPolarHBondContact O-CB 3.31Å; D164-S167 PolarHBondContact O-N 2.65Å; D164-S167 VanDerWaalsContact O-N 3.16Å; D164-S167 PolarHBondContact O-OG 2.91Å; Y165-S167 VanDerWaalsContact C-N 3.29Å; S167-D169 PolarHBondContact O-N 2.92Å; S167-D169 VanDerWaalsContact O-N 3.17Å; S167-F170 PolarHBondContact O-N 2.98Å; S167-F170 WeakPolarHBondContact OG-CB 3.28Å; S167-F170 PolarHBondContact OG-N 3.22Å; S167-V171 WeakPolarHBondContact O-CG2 3.3Å; S167-V171 PolarHBondContact O-N 2.83Å; S167-V171 VanDerWaalsContact O-N 3.11Å
168	S	86.4	Confident	85.2	Confident	76 Å²	76	56.8 Å²	56.8	53%	0.531	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-32.3	175.9	54.2	0	0	0	0	112.2	N172	S168-N172 VanDerWaalsContact O-CB 3.23Å; S168-N172 WeakPolarHBondContact O-CB 3.41Å; S168-N172 PolarHBondContact O-N 3.39Å; S168-N172 PolarHBondContact O-ND2 3.39Å
169	D	86.7	Confident	86.2	Confident	32 Å²	32	53.3 Å²	53.3	17%	0.171	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-39.2	-176.9	-56.5	-53.3	0	0	0	111.8	L134 K135 S167	L134-D169 HydrophobicContact CB-CB 3.88Å; L134-D169 HydrophobicContact CD1-CB 4.26Å; K135-D169 VanDerWaalsContact CE-OD1 3.28Å; K135-D169 WeakPolarHBondContact CE-OD1 3.44Å; K135-D169 WeakPolarHBondContact CE-OD2 3.35Å; K135-D169 HydrophobicContact CG-CB 4.35Å; K135-D169 WeakPolarHBondContact CG-OD1 3.31Å; K135-D169 IonicContact NZ-OD2 3Å; S167-D169 PolarHBondContact O-N 2.92Å; S167-D169 VanDerWaalsContact O-N 3.17Å
170	F	89.2	Confident	86.9	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-45.7	176.1	-173.6	-92.3	0	0	0	111.1	L134 Y165 S167 N172 L173 F182 A198 W202	L134-F170 HydrophobicContact CD1-CB 3.73Å; L134-F170 HydrophobicContact CD1-CD2 4.09Å; L134-F170 HydrophobicContact CD1-CG 4.43Å; L134-F170 HydrophobicContact CD2-CD2 4.5Å; Y165-F170 HydrophobicContact CD1-CD2 4.45Å; Y165-F170 HydrophobicContact CD1-CE1 4.5Å; Y165-F170 HydrophobicContact CD1-CE2 4.2Å; Y165-F170 HydrophobicContact CD1-CZ 4.23Å; Y165-F170 VanDerWaalsContact O-CD1 3.25Å; Y165-F170 WeakPolarHBondContact O-CD1 3.48Å; S167-F170 PolarHBondContact O-N 2.98Å; S167-F170 WeakPolarHBondContact OG-CB 3.28Å; S167-F170 PolarHBondContact OG-N 3.22Å; F170-N172 PolarHBondContact O-N 2.77Å; F170-L173 HydrophobicContact CD2-CD1 3.8Å; F170-L173 HydrophobicContact CE2-CD1 4.01Å; F170-L173 HydrophobicContact CG-CD1 4.28Å; F170-L173 VanDerWaalsContact O-CB 3.3Å; F170-L173 WeakPolarHBondContact O-CB 3.34Å; F170-L173 WeakPolarHBondContact O-CD1 3.44Å; F170-L173 WeakPolarHBondContact O-CG 3.29Å; F170-L173 PolarHBondContact O-N 2.92Å; F170-L173 VanDerWaalsContact O-N 3.13Å; F170-F182 HydrophobicContact CE2-CZ 4.4Å; F170-F182 HydrophobicContact CZ-CE2 4.18Å; F170-F182 AromaticContact CZ-CZ 3.94Å; F170-F182 HydrophobicContact CZ-CZ 3.94Å; F170-A198 HydrophobicContact CE1-CB 4.39Å; F170-A198 WeakPolarHBondContact CE1-O 3.32Å; F170-A198 HydrophobicContact CZ-CB 3.91Å; F170-W202 HydrophobicContact CE1-CB 4.01Å
171	V	88.5	Confident	87.2	Confident	10 Å²	10	55.7 Å²	55.7	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-28.6	-176.3	176.3	0	0	0	0	112.2	S167 L173 V201 H205 R210	S167-V171 WeakPolarHBondContact O-CG2 3.3Å; S167-V171 PolarHBondContact O-N 2.83Å; S167-V171 VanDerWaalsContact O-N 3.11Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-V201 HydrophobicContact CG2-CG1 4.32Å; V171-H205 HydrophobicContact CG1-CB 3.19Å; V171-H205 WeakPolarHBondContact CG1-CD2 3.41Å; V171-H205 WeakPolarHBondContact CG1-ND1 3.19Å; V171-R210 VanDerWaalsContact O-CZ 3.3Å; V171-R210 PolarHBondContact O-NH1 3.35Å; V171-R210 PolarHBondContact O-NH2 3.44Å
172	N	89.1	Confident	87.8	Confident	101 Å²	101	50.9 Å²	50.9	54%	0.54	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.1	177	-72.5	-30.4	0	0	0	114.6	S168 F170 T174	S168-N172 VanDerWaalsContact O-CB 3.23Å; S168-N172 WeakPolarHBondContact O-CB 3.41Å; S168-N172 PolarHBondContact O-N 3.39Å; S168-N172 PolarHBondContact O-ND2 3.39Å; F170-N172 PolarHBondContact O-N 2.77Å; N172-T174 PolarHBondContact O-N 2.87Å
173	L	90	Very high	88.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.261	C	S	.	.			trans	-56.8	139.7	176.2	-70.1	172.4	0	0	0	111.6	L134 M137 F170 V171 Q177 I178 I181 W202	L134-L173 HydrophobicContact CD2-CD1 4.22Å; L134-L173 HydrophobicContact CD2-CD2 4.45Å; M137-L173 HydrophobicContact CE-CD2 3.85Å; F170-L173 HydrophobicContact CD2-CD1 3.8Å; F170-L173 HydrophobicContact CE2-CD1 4.01Å; F170-L173 HydrophobicContact CG-CD1 4.28Å; F170-L173 VanDerWaalsContact O-CB 3.3Å; F170-L173 WeakPolarHBondContact O-CB 3.34Å; F170-L173 WeakPolarHBondContact O-CD1 3.44Å; F170-L173 WeakPolarHBondContact O-CG 3.29Å; F170-L173 PolarHBondContact O-N 2.92Å; F170-L173 VanDerWaalsContact O-N 3.13Å; V171-L173 VanDerWaalsContact C-N 3.32Å; L173-Q177 HydrophobicContact CB-CB 4.5Å; L173-Q177 HydrophobicContact CD2-CB 4.18Å; L173-I178 HydrophobicContact CB-CD1 3.94Å; L173-I178 HydrophobicContact CB-CG1 4.07Å; L173-I178 HydrophobicContact CD1-CD1 3.96Å; L173-I181 HydrophobicContact CD1-CD1 3.85Å; L173-W202 PolarHBondContact O-NE1 3.19Å
174	T	90	Very high	88.1	Confident	74 Å²	74	51.1 Å²	51.1	45%	0.454	27%	0.266	S	S	.	.			trans	-76.2	158.9	177.2	63.1	0	0	0	0	111.1	N172 K176 Q177 I178	N172-T174 PolarHBondContact O-N 2.87Å; T174-K176 PolarHBondContact O-N 3.37Å; T174-Q177 PolarHBondContact O-N 2.96Å; T174-Q177 VanDerWaalsContact OG1-CG 3.29Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.25Å; T174-Q177 PolarHBondContact OG1-N 3.47Å; T174-Q177 PolarHBondContact OG1-OE1 3.32Å; T174-I178 WeakPolarHBondContact O-CG1 3.21Å; T174-I178 PolarHBondContact O-N 3.17Å
175	T	89.9	Confident	87.6	Confident	60 Å²	60	49.3 Å²	49.3	37%	0.368	26%	0.256	S	S	.	.	H	α-helix	trans	-54.5	-39	175.6	48.3	0	0	0	0	112.3	I178 T179 W202 F213	T175-I178 PolarHBondContact O-N 3.11Å; T175-T179 PolarHBondContact O-N 2.95Å; T175-T179 PolarHBondContact O-OG1 3.01Å; T175-W202 HydrophobicContact CG2-CH2 3.89Å; T175-W202 HydrophobicContact CG2-CZ2 4.19Å; T175-F213 HydrophobicContact CG2-CB 4.24Å; T175-F213 HydrophobicContact CG2-CD1 4.06Å; T175-F213 HydrophobicContact CG2-CD2 3.83Å; T175-F213 HydrophobicContact CG2-CE1 4.38Å; T175-F213 HydrophobicContact CG2-CE2 4.17Å; T175-F213 HydrophobicContact CG2-CG 3.76Å; T175-F213 HydrophobicContact CG2-CZ 4.43Å
176	K	88.7	Confident	86.8	Confident	173 Å²	173	52.7 Å²	52.7	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-41.6	176.8	-67.5	-175.6	180	179.6	0	112.6	T174 K180	T174-K176 PolarHBondContact O-N 3.37Å; K176-K180 WeakPolarHBondContact O-CB 3.19Å; K176-K180 PolarHBondContact O-N 3.06Å
177	Q	90	Very high	86.5	Confident	22 Å²	22	47.4 Å²	47.4	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-42.9	178.3	-71.2	167.8	-44.4	0	0	111	N138 L173 T174 T179 K180 I181	N138-Q177 PolarHBondContact OD1-NE2 3.48Å; L173-Q177 HydrophobicContact CB-CB 4.5Å; L173-Q177 HydrophobicContact CD2-CB 4.18Å; T174-Q177 PolarHBondContact O-N 2.96Å; T174-Q177 VanDerWaalsContact OG1-CG 3.29Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.25Å; T174-Q177 PolarHBondContact OG1-N 3.47Å; T174-Q177 PolarHBondContact OG1-OE1 3.32Å; Q177-T179 VanDerWaalsContact C-N 3.34Å; Q177-T179 PolarHBondContact O-N 3.18Å; Q177-K180 PolarHBondContact O-N 2.95Å; Q177-K180 VanDerWaalsContact O-N 3.13Å; Q177-I181 WeakPolarHBondContact O-CB 3.19Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 VanDerWaalsContact O-CG1 3.23Å; Q177-I181 WeakPolarHBondContact O-CG1 3.25Å; Q177-I181 PolarHBondContact O-N 3.35Å
178	I	91.4	Very high	85.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-48.3	173.7	-68.8	-67.4	0	0	0	110.5	L173 T174 T175 K180 I181 F182 W202 F213 L221	L173-I178 HydrophobicContact CB-CD1 3.94Å; L173-I178 HydrophobicContact CB-CG1 4.07Å; L173-I178 HydrophobicContact CD1-CD1 3.96Å; T174-I178 WeakPolarHBondContact O-CG1 3.21Å; T174-I178 PolarHBondContact O-N 3.17Å; T175-I178 PolarHBondContact O-N 3.11Å; I178-K180 VanDerWaalsContact C-N 3.35Å; I178-K180 PolarHBondContact O-N 3.38Å; I178-I181 PolarHBondContact O-N 3.48Å; I178-F182 HydrophobicContact CB-CD2 4.48Å; I178-F182 HydrophobicContact CD1-CD2 4.27Å; I178-F182 HydrophobicContact CD1-CE2 3.8Å; I178-F182 HydrophobicContact CG2-CD2 3.83Å; I178-F182 HydrophobicContact CG2-CE2 4.3Å; I178-F182 WeakPolarHBondContact O-CB 3.46Å; I178-F182 VanDerWaalsContact O-CD2 3.31Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 2.86Å; I178-W202 HydrophobicContact CD1-CD2 4.1Å; I178-W202 HydrophobicContact CD1-CG 3.94Å; I178-W202 HydrophobicContact CG1-CD2 4Å; I178-W202 HydrophobicContact CG1-CG 4.33Å; I178-W202 HydrophobicContact CG1-CZ2 3.94Å; I178-F213 HydrophobicContact CG2-CE1 4.21Å; I178-L221 HydrophobicContact CG2-CD1 4.22Å
179	T	90.1	Very high	84.9	Confident	34 Å²	34	44.3 Å²	44.3	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-46.9	175	-54.7	0	0	0	0	111.5	T175 Q177 I181 Q183 F213 L221	T175-T179 PolarHBondContact O-N 2.95Å; T175-T179 PolarHBondContact O-OG1 3.01Å; Q177-T179 VanDerWaalsContact C-N 3.34Å; Q177-T179 PolarHBondContact O-N 3.18Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.05Å; T179-Q183 HydrophobicContact CG2-CB 4.5Å; T179-Q183 WeakPolarHBondContact O-CB 3.35Å; T179-Q183 PolarHBondContact O-N 2.91Å; T179-F213 WeakPolarHBondContact OG1-CZ 3.31Å; T179-L221 HydrophobicContact CG2-CD2 4.44Å
180	K	87.7	Confident	83.8	Confident	101 Å²	101	44 Å²	44	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-37.3	-178.3	-165.2	168.1	-175.8	-179.1	0	112.9	F149 I153 K176 Q177 I178	F149-K180 HydrophobicContact CE1-CD 4.31Å; F149-K180 HydrophobicContact CZ-CD 4.16Å; I153-K180 HydrophobicContact CD1-CG 4.35Å; K176-K180 WeakPolarHBondContact O-CB 3.19Å; K176-K180 PolarHBondContact O-N 3.06Å; Q177-K180 PolarHBondContact O-N 2.95Å; Q177-K180 VanDerWaalsContact O-N 3.13Å; I178-K180 VanDerWaalsContact C-N 3.35Å; I178-K180 PolarHBondContact O-N 3.38Å
181	I	89.3	Confident	82.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-72.6	-53.1	179.2	-65.9	162.1	0	0	0	110.1	M137 L156 W157 F160 L173 Q177 I178 T179 S184 I187	M137-I181 HydrophobicContact CE-CD1 4.13Å; L156-I181 HydrophobicContact CD2-CD1 3.9Å; L156-I181 HydrophobicContact CD2-CG1 3.92Å; L156-I181 HydrophobicContact CD2-CG2 4.13Å; W157-I181 PolarHBondContact NE1-O 3.4Å; W157-I181 VanDerWaalsContact NE1-O 3.13Å; F160-I181 HydrophobicContact CE2-CG2 4.06Å; L173-I181 HydrophobicContact CD1-CD1 3.85Å; Q177-I181 WeakPolarHBondContact O-CB 3.19Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 VanDerWaalsContact O-CG1 3.23Å; Q177-I181 WeakPolarHBondContact O-CG1 3.25Å; Q177-I181 PolarHBondContact O-N 3.35Å; I178-I181 PolarHBondContact O-N 3.48Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.05Å; I181-S184 WeakPolarHBondContact O-CB 3.31Å; I181-S184 PolarHBondContact O-N 3.13Å; I181-I187 VanDerWaalsContact O-CD1 3.23Å; I181-I187 WeakPolarHBondContact O-CD1 3.3Å
182	F	89.5	Confident	82.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-87	-16.1	-169	-70.3	-71.9	0	0	0	115.1	F160 F170 I178 S184 I187 V195 A198 I199 L221 R294	F160-F182 HydrophobicContact CE1-CE1 4.04Å; F160-F182 HydrophobicContact CE2-CE1 4.22Å; F160-F182 HydrophobicContact CE2-CZ 4.28Å; F160-F182 HydrophobicContact CZ-CD1 4.48Å; F160-F182 AromaticContact CZ-CE1 3.42Å; F160-F182 HydrophobicContact CZ-CE1 3.42Å; F160-F182 VanDerWaalsContact CZ-CE1 3.42Å; F160-F182 AromaticContact CZ-CZ 3.6Å; F160-F182 HydrophobicContact CZ-CZ 3.6Å; F170-F182 HydrophobicContact CE2-CZ 4.4Å; F170-F182 HydrophobicContact CZ-CE2 4.18Å; F170-F182 AromaticContact CZ-CZ 3.94Å; F170-F182 HydrophobicContact CZ-CZ 3.94Å; I178-F182 HydrophobicContact CB-CD2 4.48Å; I178-F182 HydrophobicContact CD1-CD2 4.27Å; I178-F182 HydrophobicContact CD1-CE2 3.8Å; I178-F182 HydrophobicContact CG2-CD2 3.83Å; I178-F182 HydrophobicContact CG2-CE2 4.3Å; I178-F182 WeakPolarHBondContact O-CB 3.46Å; I178-F182 VanDerWaalsContact O-CD2 3.31Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 2.86Å; F182-S184 VanDerWaalsContact C-N 3.26Å; F182-I187 HydrophobicContact CD1-CD1 4.04Å; F182-V195 HydrophobicContact CD1-CB 4.31Å; F182-V195 HydrophobicContact CD1-CG1 3.52Å; F182-V195 HydrophobicContact CD1-CG2 4.11Å; F182-V195 HydrophobicContact CE1-CB 4.25Å; F182-V195 HydrophobicContact CE1-CG1 3.81Å; F182-V195 HydrophobicContact CE1-CG2 4.1Å; F182-A198 HydrophobicContact CE1-CB 4.27Å; F182-A198 HydrophobicContact CZ-CB 3.9Å; F182-I199 HydrophobicContact CB-CD1 4.4Å; F182-I199 HydrophobicContact CD1-CD1 4.08Å; F182-I199 HydrophobicContact CD1-CG1 4.28Å; F182-I199 HydrophobicContact CD2-CD1 4.23Å; F182-I199 HydrophobicContact CD2-CG1 4Å; F182-I199 HydrophobicContact CE1-CD1 4.34Å; F182-I199 HydrophobicContact CE1-CG1 4.11Å; F182-I199 HydrophobicContact CE2-CG1 3.83Å; F182-I199 HydrophobicContact CG-CD1 3.98Å; F182-I199 HydrophobicContact CG-CG1 4.2Å; F182-I199 HydrophobicContact CZ-CG1 3.87Å; F182-L221 HydrophobicContact CB-CB 4.23Å; F182-L221 HydrophobicContact CB-CD2 4.02Å; F182-R294 PolarHBondContact O-NH1 3.03Å; F182-R294 PolarHBondContact O-NH2 2.94Å
183	Q	86.6	Confident	82.2	Confident	112 Å²	112	45.1 Å²	45.1	52%	0.523	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.4	171.2	-163.8	175	8	0	0	111.9	T179	T179-Q183 HydrophobicContact CG2-CB 4.5Å; T179-Q183 WeakPolarHBondContact O-CB 3.35Å; T179-Q183 PolarHBondContact O-N 2.91Å
184	S	81.3	Confident	81.9	Confident	20 Å²	20	45.9 Å²	45.9	14%	0.14	23%	0.228	C	C	.	.			trans	-72.4	137.2	178.6	-174.2	0	0	0	0	111.7	W157 I181 F182 Q186 I187 R294	W157-S184 VanDerWaalsContact CE2-CB 3.47Å; W157-S184 VanDerWaalsContact CH2-OG 3.25Å; W157-S184 WeakPolarHBondContact CH2-OG 3.38Å; W157-S184 WeakPolarHBondContact CZ2-OG 3.43Å; I181-S184 WeakPolarHBondContact O-CB 3.31Å; I181-S184 PolarHBondContact O-N 3.13Å; F182-S184 VanDerWaalsContact C-N 3.26Å; S184-Q186 PolarHBondContact O-N 2.81Å; S184-Q186 PolarHBondContact OG-N 2.83Å; S184-I187 WeakPolarHBondContact O-CG1 3.23Å; S184-R294 PolarHBondContact O-NH1 3.1Å
185	D	74.7	Confident	81.9	Confident	53 Å²	53	42.3 Å²	42.3	28%	0.283	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.3	174.7	-58.5	-30.5	0	0	0	111.1	I187 R223 K289 R294 V295	D185-I187 VanDerWaalsContact C-N 3.33Å; D185-I187 PolarHBondContact O-N 2.89Å; D185-R223 IonicContact OD1-CZ 3.58Å; D185-R223 IonicContact OD1-NH2 3.35Å; D185-R223 PolarHBondContact OD1-NH2 2.72Å; D185-K289 IonicContact OD2-NZ 2.87Å; D185-K289 PolarHBondContact OD2-NZ 3.02Å; D185-R294 WeakPolarHBondContact O-CB 3.33Å; D185-V295 HydrophobicContact CB-CG2 4Å; D185-V295 WeakPolarHBondContact O-CB 3.44Å; D185-V295 VanDerWaalsContact O-CG2 3.3Å; D185-V295 WeakPolarHBondContact O-CG2 3.5Å; D185-V295 PolarHBondContact O-N 2.97Å
186	Q	69.8	Low	81.8	Confident	96 Å²	96	39.5 Å²	39.5	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.6	-172.8	-62.2	-62.8	-26.4	0	0	115.8	W157 S184 N188	W157-Q186 HydrophobicContact CD2-CB 3.97Å; W157-Q186 HydrophobicContact CE3-CB 3.55Å; W157-Q186 HydrophobicContact CE3-CG 4.25Å; W157-Q186 HydrophobicContact CG-CB 4.4Å; W157-Q186 HydrophobicContact CZ3-CB 4.06Å; W157-Q186 HydrophobicContact CZ3-CG 4.3Å; S184-Q186 PolarHBondContact O-N 2.81Å; S184-Q186 PolarHBondContact OG-N 2.83Å; Q186-N188 PolarHBondContact O-N 2.93Å
187	I	78.7	Confident	81.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.			trans	-65.3	128.9	-177.2	-44.5	174	0	0	0	110.1	W157 F160 I181 F182 S184 D185 I189 V195 R294 G296	W157-I187 HydrophobicContact CG-CG1 4.37Å; F160-I187 HydrophobicContact CB-CG2 3.65Å; F160-I187 HydrophobicContact CD1-CG2 3.59Å; F160-I187 HydrophobicContact CD2-CG2 3.92Å; F160-I187 HydrophobicContact CE1-CG2 4.24Å; F160-I187 HydrophobicContact CG-CG2 3.41Å; F160-I187 VanDerWaalsContact CG-CG2 3.41Å; I181-I187 VanDerWaalsContact O-CD1 3.23Å; I181-I187 WeakPolarHBondContact O-CD1 3.3Å; F182-I187 HydrophobicContact CD1-CD1 4.04Å; S184-I187 WeakPolarHBondContact O-CG1 3.23Å; D185-I187 VanDerWaalsContact C-N 3.33Å; D185-I187 PolarHBondContact O-N 2.89Å; I187-I189 HydrophobicContact CG2-CG2 3.95Å; I187-I189 PolarHBondContact O-N 3.16Å; I187-V195 HydrophobicContact CD1-CG2 4.48Å; I187-R294 WeakPolarHBondContact O-CB 3.12Å; I187-G296 VanDerWaalsContact O-CA 3.23Å; I187-G296 WeakPolarHBondContact O-CA 3.46Å; I187-G296 PolarHBondContact O-N 3.12Å
188	N	70.1	Confident	81.9	Confident	28 Å²	28	31.9 Å²	31.9	15%	0.15	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-88.4	99.6	177.3	-161.5	23.8	0	0	0	113	W157 H158 Q186 G296 T297	W157-N188 WeakPolarHBondContact O-CA 3.49Å; W157-N188 WeakPolarHBondContact O-CB 3.49Å; W157-N188 PolarHBondContact O-N 2.77Å; H158-N188 VanDerWaalsContact O-CB 3.26Å; H158-N188 WeakPolarHBondContact O-CB 3.35Å; H158-N188 PolarHBondContact O-ND2 3.44Å; Q186-N188 PolarHBondContact O-N 2.93Å; N188-G296 VanDerWaalsContact CA-CA 3.41Å; N188-G296 VanDerWaalsContact OD1-CA 3.27Å; N188-G296 WeakPolarHBondContact OD1-CA 3.46Å; N188-T297 PolarHBondContact OD1-N 3.06Å
189	I	71.2	Confident	81.9	Confident	11 Å²	11	32 Å²	32	6%	0.056	16%	0.157	C	C	.	.			trans	-141.6	137.4	-177.9	54.7	176.5	0	0	0	110.6	F160 I187 E192 V194 V195 R294 G296	F160-I189 HydrophobicContact CD1-CG2 3.7Å; F160-I189 HydrophobicContact CE1-CG2 4.44Å; I187-I189 HydrophobicContact CG2-CG2 3.95Å; I187-I189 PolarHBondContact O-N 3.16Å; I189-E192 WeakPolarHBondContact CD1-OE2 3.49Å; I189-V194 HydrophobicContact CG2-CB 4.21Å; I189-V194 HydrophobicContact CG2-CG1 4.19Å; I189-V195 HydrophobicContact CD1-CB 4.37Å; I189-V195 HydrophobicContact CD1-CG2 3.38Å; I189-V195 HydrophobicContact CG2-CG2 4.39Å; I189-R294 HydrophobicContact CD1-CB 4.45Å; I189-R294 HydrophobicContact CD1-CG 4.25Å; I189-R294 HydrophobicContact CG1-CB 4.31Å; I189-G296 CarbonylContact C-O 3.51Å; I189-G296 PolarHBondContact N-O 2.74Å
190	S	64	Low	81.9	Confident	24 Å²	24	30.3 Å²	30.3	17%	0.168	15%	0.147	C	C	.	.	S	Bend	trans	-66.2	-37.8	170.5	47.1	0	0	0	0	113.8	Q161	Q161-S190 PolarHBondContact NE2-OG 3.41Å; Q161-S190 PolarHBondContact OE1-OG 3.19Å
191	Q	70.8	Confident	82.1	Confident	74 Å²	74	26 Å²	26	35%	0.346	13%	0.129	S	C	.	.			trans	-144.2	142	-173.7	-62.1	177.7	-4.7	0	0	110.2	R193 V194 E231	Q191-R193 HydrophobicContact CB-CB 4.21Å; Q191-R193 PolarHBondContact O-N 3.38Å; Q191-R193 VanDerWaalsContact O-N 3.12Å; Q191-V194 PolarHBondContact O-N 3.23Å; Q191-V194 VanDerWaalsContact O-N 3.1Å; Q191-E231 PolarHBondContact OE1-OE1 3.39Å
192	E	79.9	Confident	82.2	Confident	10 Å²	10	26.1 Å²	26.1	5%	0.047	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-18.7	177.1	-167.1	72.1	-173.6	0	0	112.2	I189 V194 V195 L196 V222 R223 L226 I227 R294	I189-E192 WeakPolarHBondContact CD1-OE2 3.49Å; E192-V194 PolarHBondContact O-N 3.17Å; E192-V195 WeakPolarHBondContact O-CB 3.49Å; E192-V195 PolarHBondContact O-N 2.87Å; E192-V195 VanDerWaalsContact O-N 3.09Å; E192-L196 PolarHBondContact O-N 2.75Å; E192-L196 VanDerWaalsContact O-N 3.15Å; E192-V222 HydrophobicContact CG-CG1 4.18Å; E192-R223 HydrophobicContact CG-CB 3.87Å; E192-R223 PolarHBondContact OE1-N 2.69Å; E192-L226 HydrophobicContact CB-CB 4.02Å; E192-I227 HydrophobicContact CB-CG1 3.99Å; E192-I227 HydrophobicContact CG-CD1 4.36Å; E192-I227 HydrophobicContact CG-CG1 4.2Å; E192-R294 IonicContact OE1-CZ 2.82Å; E192-R294 IonicContact OE1-NE 3.6Å; E192-R294 PolarHBondContact OE1-NE 2.83Å; E192-R294 IonicContact OE1-NH2 3.34Å; E192-R294 PolarHBondContact OE1-NH2 2.85Å; E192-R294 IonicContact OE2-CZ 3.53Å; E192-R294 IonicContact OE2-NE 3.36Å; E192-R294 PolarHBondContact OE2-NE 2.88Å; E192-R294 IonicContact OE2-NH2 2.82Å
193	R	83.3	Confident	82.3	Confident	53 Å²	53	26.1 Å²	26.1	20%	0.2	13%	0.129	C	C	.	.	H	α-helix	trans	-47.2	-42.5	168.8	169.3	176.3	179.2	164.3	6.1	112.5	Q191 V195 L196 E197 E234 I235	Q191-R193 HydrophobicContact CB-CB 4.21Å; Q191-R193 PolarHBondContact O-N 3.38Å; Q191-R193 VanDerWaalsContact O-N 3.12Å; R193-V195 VanDerWaalsContact C-N 3.31Å; R193-V195 PolarHBondContact O-N 2.77Å; R193-L196 PolarHBondContact O-N 2.87Å; R193-L196 VanDerWaalsContact O-N 3.17Å; R193-E197 HydrophobicContact CG-CG 4.29Å; R193-E197 IonicContact CZ-OE1 2.95Å; R193-E197 IonicContact NE-OE1 3.88Å; R193-E197 PolarHBondContact NE-OE1 3Å; R193-E197 IonicContact NH2-OE1 3.61Å; R193-E197 PolarHBondContact NH2-OE1 2.75Å; R193-E197 WeakPolarHBondContact O-CG 3.27Å; R193-E197 PolarHBondContact O-N 2.89Å; R193-E234 IonicContact CZ-OE2 3.64Å; R193-E234 IonicContact NH1-OE2 3.73Å; R193-E234 PolarHBondContact NH1-OE2 3.05Å; R193-E234 IonicContact NH2-OE2 2.76Å; R193-I235 HydrophobicContact CG-CD1 3.92Å
194	V	83.8	Confident	82.4	Confident	17 Å²	17	22.1 Å²	22.1	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-176.7	-179.6	0	0	0	0	111	Y165 I189 Q191 E192 E197 A198	Y165-V194 HydrophobicContact CE2-CG1 4.16Å; Y165-V194 WeakPolarHBondContact OH-CG1 3.41Å; I189-V194 HydrophobicContact CG2-CB 4.21Å; I189-V194 HydrophobicContact CG2-CG1 4.19Å; Q191-V194 PolarHBondContact O-N 3.23Å; Q191-V194 VanDerWaalsContact O-N 3.1Å; E192-V194 PolarHBondContact O-N 3.17Å; V194-E197 PolarHBondContact O-N 3.18Å; V194-A198 WeakPolarHBondContact O-CB 3.18Å; V194-A198 PolarHBondContact O-N 3.02Å
195	V	88.7	Confident	82.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-42.4	175.4	163.8	0	0	0	0	111	F160 F182 I187 I189 E192 R193 A198 I199 V222	F160-V195 HydrophobicContact CE1-CG2 4.43Å; F182-V195 HydrophobicContact CD1-CB 4.31Å; F182-V195 HydrophobicContact CD1-CG1 3.52Å; F182-V195 HydrophobicContact CD1-CG2 4.11Å; F182-V195 HydrophobicContact CE1-CB 4.25Å; F182-V195 HydrophobicContact CE1-CG1 3.81Å; F182-V195 HydrophobicContact CE1-CG2 4.1Å; I187-V195 HydrophobicContact CD1-CG2 4.48Å; I189-V195 HydrophobicContact CD1-CB 4.37Å; I189-V195 HydrophobicContact CD1-CG2 3.38Å; I189-V195 HydrophobicContact CG2-CG2 4.39Å; E192-V195 WeakPolarHBondContact O-CB 3.49Å; E192-V195 PolarHBondContact O-N 2.87Å; E192-V195 VanDerWaalsContact O-N 3.09Å; R193-V195 VanDerWaalsContact C-N 3.31Å; R193-V195 PolarHBondContact O-N 2.77Å; V195-A198 PolarHBondContact O-N 3.25Å; V195-I199 HydrophobicContact CG1-CD1 3.84Å; V195-I199 WeakPolarHBondContact O-CG1 3Å; V195-I199 PolarHBondContact O-N 3.44Å; V195-V222 HydrophobicContact CG1-CG2 4.24Å
196	L	88.8	Confident	83.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-46.7	177.4	179.7	60.4	0	0	0	111.6	E192 R193 A198 I199 L200 V222 I227 L232 I235 L251	E192-L196 PolarHBondContact O-N 2.75Å; E192-L196 VanDerWaalsContact O-N 3.15Å; R193-L196 PolarHBondContact O-N 2.87Å; R193-L196 VanDerWaalsContact O-N 3.17Å; L196-A198 PolarHBondContact O-N 2.96Å; L196-I199 PolarHBondContact O-N 3.11Å; L196-L200 HydrophobicContact CD1-CD1 4.26Å; L196-L200 HydrophobicContact CD1-CG 4.24Å; L196-L200 HydrophobicContact CG-CD1 4.04Å; L196-L200 HydrophobicContact CG-CG 4.45Å; L196-L200 WeakPolarHBondContact O-CB 3.34Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.03Å; L196-L200 PolarHBondContact O-N 2.85Å; L196-V222 HydrophobicContact CB-CG1 4.21Å; L196-V222 HydrophobicContact CD1-CG1 4.36Å; L196-V222 HydrophobicContact CD1-CG2 4.2Å; L196-I227 HydrophobicContact CB-CD1 3.75Å; L196-I227 HydrophobicContact CD2-CD1 3.57Å; L196-I227 HydrophobicContact CG-CD1 4.24Å; L196-L232 HydrophobicContact CD2-CD1 4.02Å; L196-I235 HydrophobicContact CD2-CD1 3.77Å; L196-I235 HydrophobicContact CG-CD1 4.4Å; L196-L251 HydrophobicContact CD1-CD1 3.73Å; L196-L251 HydrophobicContact CD1-CD2 3.8Å; L196-L251 HydrophobicContact CD1-CG 4.43Å; L196-L251 HydrophobicContact CD2-CD1 4.42Å
197	E	89.3	Confident	84.2	Confident	35 Å²	35	23.3 Å²	23.3	16%	0.164	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-45.3	176.9	-73.1	-177.3	168.5	0	0	111.3	R193 V194 I199 L200 V201 I235 Y241	R193-E197 HydrophobicContact CG-CG 4.29Å; R193-E197 IonicContact CZ-OE1 2.95Å; R193-E197 IonicContact NE-OE1 3.88Å; R193-E197 PolarHBondContact NE-OE1 3Å; R193-E197 IonicContact NH2-OE1 3.61Å; R193-E197 PolarHBondContact NH2-OE1 2.75Å; R193-E197 WeakPolarHBondContact O-CG 3.27Å; R193-E197 PolarHBondContact O-N 2.89Å; V194-E197 PolarHBondContact O-N 3.18Å; E197-I199 PolarHBondContact O-N 2.85Å; E197-L200 PolarHBondContact O-N 3.3Å; E197-V201 WeakPolarHBondContact O-CG2 3.41Å; E197-V201 PolarHBondContact O-N 3.42Å; E197-I235 HydrophobicContact CG-CD1 4.28Å; E197-I235 HydrophobicContact CG-CG1 4.21Å; E197-Y241 HydrophobicContact CG-CE2 4.37Å
198	A	90.9	Very high	84.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.1	0	0	0	0	0	112.2	F160 Y165 F170 F182 V194 V195 L196 L200 V201 W202	F160-A198 HydrophobicContact CE1-CB 4.34Å; F160-A198 HydrophobicContact CZ-CB 4.16Å; Y165-A198 HydrophobicContact CD1-CB 3.72Å; Y165-A198 HydrophobicContact CD2-CB 4.23Å; Y165-A198 HydrophobicContact CE1-CB 3.88Å; Y165-A198 HydrophobicContact CE2-CB 4.38Å; Y165-A198 HydrophobicContact CG-CB 3.93Å; F170-A198 HydrophobicContact CE1-CB 4.39Å; F170-A198 WeakPolarHBondContact CE1-O 3.32Å; F170-A198 HydrophobicContact CZ-CB 3.91Å; F182-A198 HydrophobicContact CE1-CB 4.27Å; F182-A198 HydrophobicContact CZ-CB 3.9Å; V194-A198 WeakPolarHBondContact O-CB 3.18Å; V194-A198 PolarHBondContact O-N 3.02Å; V195-A198 PolarHBondContact O-N 3.25Å; L196-A198 PolarHBondContact O-N 2.96Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 2.96Å; A198-V201 PolarHBondContact O-N 3.33Å; A198-W202 PolarHBondContact O-N 3.33Å; A198-W202 VanDerWaalsContact O-N 3.12Å
199	I	91.6	Very high	85.4	Confident	2 Å²	2	38 Å²	38	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-37.5	177.2	-69.6	167.2	0	0	0	111.4	F182 V195 L196 E197 W202 L203 F214 L221 V222	F182-I199 HydrophobicContact CB-CD1 4.4Å; F182-I199 HydrophobicContact CD1-CD1 4.08Å; F182-I199 HydrophobicContact CD1-CG1 4.28Å; F182-I199 HydrophobicContact CD2-CD1 4.23Å; F182-I199 HydrophobicContact CD2-CG1 4Å; F182-I199 HydrophobicContact CE1-CD1 4.34Å; F182-I199 HydrophobicContact CE1-CG1 4.11Å; F182-I199 HydrophobicContact CE2-CG1 3.83Å; F182-I199 HydrophobicContact CG-CD1 3.98Å; F182-I199 HydrophobicContact CG-CG1 4.2Å; F182-I199 HydrophobicContact CZ-CG1 3.87Å; V195-I199 HydrophobicContact CG1-CD1 3.84Å; V195-I199 WeakPolarHBondContact O-CG1 3Å; V195-I199 PolarHBondContact O-N 3.44Å; L196-I199 PolarHBondContact O-N 3.11Å; E197-I199 PolarHBondContact O-N 2.85Å; I199-W202 PolarHBondContact O-N 2.87Å; I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 PolarHBondContact O-N 2.9Å; I199-F214 HydrophobicContact CG2-CD2 3.84Å; I199-F214 HydrophobicContact CG2-CE2 3.7Å; I199-L221 HydrophobicContact CD1-CB 3.87Å; I199-V222 HydrophobicContact CD1-CG2 3.49Å; I199-V222 VanDerWaalsContact CD1-CG2 3.49Å
200	L	90.3	Very high	86.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-42.2	176.4	-74.1	172.6	0	0	0	111.9	L196 E197 A198 W202 L203 C204 I235 Y241 L248 L251	L196-L200 HydrophobicContact CD1-CD1 4.26Å; L196-L200 HydrophobicContact CD1-CG 4.24Å; L196-L200 HydrophobicContact CG-CD1 4.04Å; L196-L200 HydrophobicContact CG-CG 4.45Å; L196-L200 WeakPolarHBondContact O-CB 3.34Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.03Å; L196-L200 PolarHBondContact O-N 2.85Å; E197-L200 PolarHBondContact O-N 3.3Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 2.96Å; L200-W202 VanDerWaalsContact C-N 3.3Å; L200-W202 PolarHBondContact O-N 3.13Å; L200-L203 PolarHBondContact O-N 3.39Å; L200-L203 VanDerWaalsContact O-N 3.16Å; L200-C204 WeakPolarHBondContact O-CB 3.41Å; L200-C204 PolarHBondContact O-N 3.43Å; L200-C204 PolarHBondContact O-SG 3.15Å; L200-I235 HydrophobicContact CD1-CG2 3.38Å; L200-Y241 HydrophobicContact CB-CD1 3.77Å; L200-Y241 HydrophobicContact CB-CE1 4.09Å; L200-Y241 HydrophobicContact CB-CG 4.21Å; L200-Y241 HydrophobicContact CD1-CD2 4.23Å; L200-Y241 HydrophobicContact CD1-CG 4.17Å; L200-L248 HydrophobicContact CD1-CD2 4.01Å; L200-L248 HydrophobicContact CD2-CD2 4.15Å; L200-L251 HydrophobicContact CD2-CD1 4.12Å
201	V	91.1	Very high	87.3	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-45.9	174.3	175.6	0	0	0	0	110.6	Y165 F166 V171 E197 A198 L203 C204 Y241	Y165-V201 WeakPolarHBondContact O-CG1 3.34Å; F166-V201 HydrophobicContact CD1-CG1 3.79Å; F166-V201 HydrophobicContact CD1-CG2 4.36Å; F166-V201 HydrophobicContact CE1-CG1 3.93Å; F166-V201 HydrophobicContact CE1-CG2 3.72Å; F166-V201 HydrophobicContact CE2-CG2 4.26Å; F166-V201 HydrophobicContact CG-CG1 4.28Å; F166-V201 HydrophobicContact CZ-CG2 3.65Å; V171-V201 HydrophobicContact CG2-CG1 4.32Å; E197-V201 WeakPolarHBondContact O-CG2 3.41Å; E197-V201 PolarHBondContact O-N 3.42Å; A198-V201 PolarHBondContact O-N 3.33Å; V201-L203 PolarHBondContact O-N 3.01Å; V201-C204 PolarHBondContact O-N 3.43Å; V201-Y241 HydrophobicContact CG2-CE1 3.82Å
202	W	92.8	Very high	87.9	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-42	175.5	179.4	87.1	0	0	0	112.1	F170 L173 T175 I178 A198 I199 L200 R210 F213	F170-W202 HydrophobicContact CE1-CB 4.01Å; L173-W202 PolarHBondContact O-NE1 3.19Å; T175-W202 HydrophobicContact CG2-CH2 3.89Å; T175-W202 HydrophobicContact CG2-CZ2 4.19Å; I178-W202 HydrophobicContact CD1-CD2 4.1Å; I178-W202 HydrophobicContact CD1-CG 3.94Å; I178-W202 HydrophobicContact CG1-CD2 4Å; I178-W202 HydrophobicContact CG1-CG 4.33Å; I178-W202 HydrophobicContact CG1-CZ2 3.94Å; A198-W202 PolarHBondContact O-N 3.33Å; A198-W202 VanDerWaalsContact O-N 3.12Å; I199-W202 PolarHBondContact O-N 2.87Å; L200-W202 VanDerWaalsContact C-N 3.3Å; L200-W202 PolarHBondContact O-N 3.13Å; W202-R210 HydrophobicContact CH2-CB 3.91Å; W202-R210 HydrophobicContact CH2-CG 3.58Å; W202-R210 HydrophobicContact CZ2-CG 3.93Å; W202-R210 HydrophobicContact CZ3-CB 3.8Å; W202-R210 HydrophobicContact CZ3-CG 3.92Å; W202-R210 VanDerWaalsContact NE1-NH1 3.19Å; W202-R210 PolarHBondContact O-NH1 2.85Å; W202-F213 AromaticContact CH2-CD1 3.93Å; W202-F213 HydrophobicContact CH2-CD1 3.93Å; W202-F213 HydrophobicContact CH2-CE1 4.22Å; W202-F213 HydrophobicContact CZ3-CD1 4.01Å; W202-F213 HydrophobicContact CZ3-CE1 4.29Å
203	L	90.1	Very high	88.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-42.1	178.8	-177.6	64.1	0	0	0	112.3	I199 L200 V201 H205 D206 V207 R210 M211 F214 A244 A247	I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 PolarHBondContact O-N 2.9Å; L200-L203 PolarHBondContact O-N 3.39Å; L200-L203 VanDerWaalsContact O-N 3.16Å; V201-L203 PolarHBondContact O-N 3.01Å; L203-H205 PolarHBondContact O-N 2.95Å; L203-D206 CarbonylContact O-C 3.56Å; L203-D206 PolarHBondContact O-N 3.42Å; L203-V207 WeakPolarHBondContact O-CA 3.4Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 3.5Å; L203-R210 HydrophobicContact CD1-CB 3.62Å; L203-M211 HydrophobicContact CD2-CE 4.45Å; L203-F214 HydrophobicContact CD1-CB 4.08Å; L203-F214 HydrophobicContact CD2-CB 4.34Å; L203-F214 HydrophobicContact CD2-CD1 4.19Å; L203-F214 HydrophobicContact CD2-CD2 4.11Å; L203-F214 HydrophobicContact CD2-CE2 4.49Å; L203-F214 HydrophobicContact CD2-CG 3.95Å; L203-A244 HydrophobicContact CD2-CB 3.86Å; L203-A244 HydrophobicContact CG-CB 4.17Å; L203-A247 HydrophobicContact CD2-CB 3.41Å; L203-A247 VanDerWaalsContact CD2-CB 3.41Å
204	C	88.6	Confident	88.5	Confident	29 Å²	29	40.6 Å²	40.6	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-23.7	-176	-75.2	0	0	0	0	113.9	L200 V201	L200-C204 WeakPolarHBondContact O-CB 3.41Å; L200-C204 PolarHBondContact O-N 3.43Å; L200-C204 PolarHBondContact O-SG 3.15Å; V201-C204 PolarHBondContact O-N 3.43Å
205	H	87.7	Confident	88.4	Confident	124 Å²	124	43.2 Å²	43.2	57%	0.574	21%	0.206	S	C	*	.	H	α-helix	trans	-73.4	-35.8	178.7	-176.1	-94.9	0	0	0	114.2	V171 L203	V171-H205 HydrophobicContact CG1-CB 3.19Å; V171-H205 WeakPolarHBondContact CG1-CD2 3.41Å; V171-H205 WeakPolarHBondContact CG1-ND1 3.19Å; L203-H205 PolarHBondContact O-N 2.95Å
206	D	88.6	Confident	88	Confident	33 Å²	33	48.5 Å²	48.5	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	-142.1	72.7	175.1	-172.7	-9.9	0	0	0	110.2	L203 T208 R209 R210	L203-D206 CarbonylContact O-C 3.56Å; L203-D206 PolarHBondContact O-N 3.42Å; D206-T208 PolarHBondContact O-N 2.82Å; D206-T208 PolarHBondContact OD1-OG1 2.88Å; D206-R209 PolarHBondContact O-N 2.86Å; D206-R209 PolarHBondContact OD1-N 2.8Å; D206-R209 VanDerWaalsContact OD1-N 3.12Å; D206-R209 WeakPolarHBondContact OD2-CD 3.16Å; D206-R209 WeakPolarHBondContact OD2-CG 3.38Å; D206-R209 IonicContact OD2-CZ 3.16Å; D206-R209 IonicContact OD2-NE 3.86Å; D206-R209 PolarHBondContact OD2-NE 3.23Å; D206-R210 HydrophobicContact CB-CG 4.41Å; D206-R210 WeakPolarHBondContact O-CB 3.25Å; D206-R210 VanDerWaalsContact O-CG 3.28Å; D206-R210 WeakPolarHBondContact O-CG 3.46Å; D206-R210 PolarHBondContact O-N 3.13Å; D206-R210 VanDerWaalsContact O-N 3.1Å
207	V	87.4	Confident	87.7	Confident	37 Å²	37	50.7 Å²	50.7	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-41.6	-178.4	-176.5	0	0	0	0	110.6	L203 R209 R210 M211 A243	L203-V207 WeakPolarHBondContact O-CA 3.4Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 3.5Å; V207-R209 PolarHBondContact O-N 3.24Å; V207-R210 PolarHBondContact O-N 2.93Å; V207-M211 HydrophobicContact CG1-CE 3.66Å; V207-M211 WeakPolarHBondContact O-CB 3.23Å; V207-M211 PolarHBondContact O-N 3.47Å; V207-A243 HydrophobicContact CG2-CB 4.4Å
208	T	86	Confident	87.4	Confident	130 Å²	130	49.3 Å²	49.3	80%	0.798	24%	0.24	S	C	*	.	H	α-helix	trans	-57.7	-47.7	-176.2	27	0	0	0	0	113.8	D206	D206-T208 PolarHBondContact O-N 2.82Å; D206-T208 PolarHBondContact OD1-OG1 2.88Å
209	R	87.6	Confident	86.8	Confident	206 Å²	206	50.2 Å²	50.2	78%	0.777	24%	0.244	S	C	*	.	H	α-helix	trans	-87.7	-27	-177.3	-59.5	-175.9	-148.3	-175.3	5	112.8	D206 V207	D206-R209 PolarHBondContact O-N 2.86Å; D206-R209 PolarHBondContact OD1-N 2.8Å; D206-R209 VanDerWaalsContact OD1-N 3.12Å; D206-R209 WeakPolarHBondContact OD2-CD 3.16Å; D206-R209 WeakPolarHBondContact OD2-CG 3.38Å; D206-R209 IonicContact OD2-CZ 3.16Å; D206-R209 IonicContact OD2-NE 3.86Å; D206-R209 PolarHBondContact OD2-NE 3.23Å; V207-R209 PolarHBondContact O-N 3.24Å
210	R	89.8	Confident	86.2	Confident	30 Å²	30	54 Å²	54	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-94.5	-18.6	-170.4	-62.7	173.8	180	-171.8	-5.2	113.4	V171 W202 L203 D206 V207 E212 F213 F214	V171-R210 VanDerWaalsContact O-CZ 3.3Å; V171-R210 PolarHBondContact O-NH1 3.35Å; V171-R210 PolarHBondContact O-NH2 3.44Å; W202-R210 HydrophobicContact CH2-CB 3.91Å; W202-R210 HydrophobicContact CH2-CG 3.58Å; W202-R210 HydrophobicContact CZ2-CG 3.93Å; W202-R210 HydrophobicContact CZ3-CB 3.8Å; W202-R210 HydrophobicContact CZ3-CG 3.92Å; W202-R210 VanDerWaalsContact NE1-NH1 3.19Å; W202-R210 PolarHBondContact O-NH1 2.85Å; L203-R210 HydrophobicContact CD1-CB 3.62Å; D206-R210 HydrophobicContact CB-CG 4.41Å; D206-R210 WeakPolarHBondContact O-CB 3.25Å; D206-R210 VanDerWaalsContact O-CG 3.28Å; D206-R210 WeakPolarHBondContact O-CG 3.46Å; D206-R210 PolarHBondContact O-N 3.13Å; D206-R210 VanDerWaalsContact O-N 3.1Å; V207-R210 PolarHBondContact O-N 2.93Å; R210-E212 PolarHBondContact O-N 3.1Å; R210-F213 PolarHBondContact O-N 3.46Å; R210-F214 WeakPolarHBondContact O-CB 3.45Å; R210-F214 PolarHBondContact O-N 3.36Å
211	M	85.8	Confident	86	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-40.9	-178.8	-177.1	63.8	70	0	0	113.1	L203 V207 F214 K215 D246 A247	L203-M211 HydrophobicContact CD2-CE 4.45Å; V207-M211 HydrophobicContact CG1-CE 3.66Å; V207-M211 WeakPolarHBondContact O-CB 3.23Å; V207-M211 PolarHBondContact O-N 3.47Å; M211-F214 PolarHBondContact O-N 2.83Å; M211-K215 HydrophobicContact CG-CD 4.21Å; M211-K215 HydrophobicContact CG-CG 4.49Å; M211-K215 WeakPolarHBondContact O-CB 3.28Å; M211-K215 WeakPolarHBondContact O-CG 3.44Å; M211-K215 PolarHBondContact O-N 2.84Å; M211-K215 HydrophobicContact SD-CG 4.4Å; M211-D246 HydrophobicContact CE-CB 3.84Å; M211-D246 HydrophobicContact SD-CB 4.24Å; M211-A247 HydrophobicContact CE-CB 3.96Å; M211-A247 HydrophobicContact SD-CB 4.06Å
212	E	84.7	Confident	85.7	Confident	144 Å²	144	53.7 Å²	53.7	67%	0.673	26%	0.26	S	S	*	.	H	α-helix	trans	-66.2	-42.3	179.2	-169.2	172.3	-170.1	0	0	111.6	R210 K215 N216	R210-E212 PolarHBondContact O-N 3.1Å; E212-K215 PolarHBondContact O-N 3.12Å; E212-N216 PolarHBondContact O-N 3.42Å; E212-N216 PolarHBondContact O-ND2 2.96Å
213	F	88.2	Confident	85	Confident	36 Å²	36	54.2 Å²	54.2	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-45.1	172.8	172.1	-95.5	0	0	0	111.7	T175 I178 T179 W202 R210 N216 N217 L221	T175-F213 HydrophobicContact CG2-CB 4.24Å; T175-F213 HydrophobicContact CG2-CD1 4.06Å; T175-F213 HydrophobicContact CG2-CD2 3.83Å; T175-F213 HydrophobicContact CG2-CE1 4.38Å; T175-F213 HydrophobicContact CG2-CE2 4.17Å; T175-F213 HydrophobicContact CG2-CG 3.76Å; T175-F213 HydrophobicContact CG2-CZ 4.43Å; I178-F213 HydrophobicContact CG2-CE1 4.21Å; T179-F213 WeakPolarHBondContact OG1-CZ 3.31Å; W202-F213 AromaticContact CH2-CD1 3.93Å; W202-F213 HydrophobicContact CH2-CD1 3.93Å; W202-F213 HydrophobicContact CH2-CE1 4.22Å; W202-F213 HydrophobicContact CZ3-CD1 4.01Å; W202-F213 HydrophobicContact CZ3-CE1 4.29Å; R210-F213 PolarHBondContact O-N 3.46Å; F213-N216 PolarHBondContact O-N 2.82Å; F213-N217 VanDerWaalsContact CD2-ND2 3.32Å; F213-N217 WeakPolarHBondContact CD2-ND2 3.23Å; F213-N217 HydrophobicContact CE1-CB 4.46Å; F213-N217 HydrophobicContact CE2-CB 4.31Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.49Å; F213-N217 HydrophobicContact CZ-CB 4.19Å; F213-N217 WeakPolarHBondContact O-CB 3.3Å; F213-N217 PolarHBondContact O-N 3.36Å; F213-N217 PolarHBondContact O-ND2 3.48Å; F213-L221 HydrophobicContact CE1-CD1 3.93Å; F213-L221 HydrophobicContact CZ-CD1 4.18Å
214	F	86	Confident	84.3	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-50.2	178.9	-179.6	-94.1	0	0	0	111.2	I199 L203 R210 M211 N216 N217 F218 A247 L251	I199-F214 HydrophobicContact CG2-CD2 3.84Å; I199-F214 HydrophobicContact CG2-CE2 3.7Å; L203-F214 HydrophobicContact CD1-CB 4.08Å; L203-F214 HydrophobicContact CD2-CB 4.34Å; L203-F214 HydrophobicContact CD2-CD1 4.19Å; L203-F214 HydrophobicContact CD2-CD2 4.11Å; L203-F214 HydrophobicContact CD2-CE2 4.49Å; L203-F214 HydrophobicContact CD2-CG 3.95Å; R210-F214 WeakPolarHBondContact O-CB 3.45Å; R210-F214 PolarHBondContact O-N 3.36Å; M211-F214 PolarHBondContact O-N 2.83Å; F214-N216 PolarHBondContact O-N 2.75Å; F214-N216 VanDerWaalsContact O-N 3.14Å; F214-N217 PolarHBondContact O-N 2.88Å; F214-N217 VanDerWaalsContact O-N 3.13Å; F214-F218 HydrophobicContact CD1-CB 4.33Å; F214-F218 HydrophobicContact CD2-CB 4.09Å; F214-F218 HydrophobicContact CE1-CB 4Å; F214-F218 HydrophobicContact CE1-CG 4.28Å; F214-F218 HydrophobicContact CE2-CB 3.76Å; F214-F218 HydrophobicContact CG-CB 4.37Å; F214-F218 HydrophobicContact CZ-CB 3.71Å; F214-F218 HydrophobicContact CZ-CG 4.31Å; F214-F218 WeakPolarHBondContact O-CB 3.48Å; F214-F218 WeakPolarHBondContact O-CD1 3.47Å; F214-F218 PolarHBondContact O-N 2.96Å; F214-A247 HydrophobicContact CD1-CB 3.84Å; F214-A247 HydrophobicContact CE1-CB 3.56Å; F214-A247 HydrophobicContact CZ-CB 4.22Å; F214-L251 HydrophobicContact CE1-CG 4.42Å; F214-L251 HydrophobicContact CZ-CD1 4.03Å; F214-L251 HydrophobicContact CZ-CD2 4.01Å; F214-L251 HydrophobicContact CZ-CG 4.02Å
215	K	81.6	Confident	83.4	Confident	71 Å²	71	53.6 Å²	53.6	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-51.6	-38.7	177.2	-79.6	174.7	177.9	179.6	0	112.8	M211 E212 F218 L250	M211-K215 HydrophobicContact CG-CD 4.21Å; M211-K215 HydrophobicContact CG-CG 4.49Å; M211-K215 WeakPolarHBondContact O-CB 3.28Å; M211-K215 WeakPolarHBondContact O-CG 3.44Å; M211-K215 PolarHBondContact O-N 2.84Å; M211-K215 HydrophobicContact SD-CG 4.4Å; E212-K215 PolarHBondContact O-N 3.12Å; K215-F218 WeakPolarHBondContact O-CD1 3.4Å; K215-L250 HydrophobicContact CD-CD1 4.26Å; K215-L250 HydrophobicContact CG-CD1 3.62Å
216	N	80.5	Confident	82.3	Confident	112 Å²	112	49.1 Å²	49.1	60%	0.599	24%	0.238	S	C	*	.	H	α-helix	trans	-85.3	-24.1	-176.7	-65.9	-19	0	0	0	114	E212 F213 F214	E212-N216 PolarHBondContact O-N 3.42Å; E212-N216 PolarHBondContact O-ND2 2.96Å; F213-N216 PolarHBondContact O-N 2.82Å; F214-N216 PolarHBondContact O-N 2.75Å; F214-N216 VanDerWaalsContact O-N 3.14Å
217	N	83.7	Confident	81.5	Confident	46 Å²	46	47.6 Å²	47.6	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-120.6	-11.6	-168.7	-65.3	-82.6	0	0	0	115.2	F213 F214 L219 H220 L221	F213-N217 VanDerWaalsContact CD2-ND2 3.32Å; F213-N217 WeakPolarHBondContact CD2-ND2 3.23Å; F213-N217 HydrophobicContact CE1-CB 4.46Å; F213-N217 HydrophobicContact CE2-CB 4.31Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.49Å; F213-N217 HydrophobicContact CZ-CB 4.19Å; F213-N217 WeakPolarHBondContact O-CB 3.3Å; F213-N217 PolarHBondContact O-N 3.36Å; F213-N217 PolarHBondContact O-ND2 3.48Å; F214-N217 PolarHBondContact O-N 2.88Å; F214-N217 VanDerWaalsContact O-N 3.13Å; N217-L219 PolarHBondContact O-N 2.8Å; N217-L219 VanDerWaalsContact O-N 3.11Å; N217-H220 PolarHBondContact O-N 3.37Å; N217-L221 HydrophobicContact CB-CD1 4.03Å; N217-L221 HydrophobicContact CB-CG 4.3Å; N217-L221 WeakPolarHBondContact O-CG 3.17Å; N217-L221 PolarHBondContact O-N 3.29Å; N217-L221 VanDerWaalsContact O-N 3.16Å
218	F	82.1	Confident	80.7	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-35.5	-171.5	76.6	-80.9	0	0	0	113.6	F214 K215 H220 L221 V222 L224 L251 A254	F214-F218 HydrophobicContact CD1-CB 4.33Å; F214-F218 HydrophobicContact CD2-CB 4.09Å; F214-F218 HydrophobicContact CE1-CB 4Å; F214-F218 HydrophobicContact CE1-CG 4.28Å; F214-F218 HydrophobicContact CE2-CB 3.76Å; F214-F218 HydrophobicContact CG-CB 4.37Å; F214-F218 HydrophobicContact CZ-CB 3.71Å; F214-F218 HydrophobicContact CZ-CG 4.31Å; F214-F218 WeakPolarHBondContact O-CB 3.48Å; F214-F218 WeakPolarHBondContact O-CD1 3.47Å; F214-F218 PolarHBondContact O-N 2.96Å; K215-F218 WeakPolarHBondContact O-CD1 3.4Å; F218-H220 VanDerWaalsContact C-N 3.25Å; F218-H220 PolarHBondContact O-N 3.09Å; F218-L221 PolarHBondContact O-N 2.81Å; F218-V222 PolarHBondContact O-N 3.18Å; F218-L224 HydrophobicContact CD2-CD1 3.49Å; F218-L224 VanDerWaalsContact CD2-CD1 3.49Å; F218-L224 HydrophobicContact CE2-CD1 3.34Å; F218-L251 HydrophobicContact CD2-CD2 4.09Å; F218-A254 HydrophobicContact CE2-CB 3.77Å; F218-A254 HydrophobicContact CZ-CB 3.97Å
219	L	77.9	Confident	80	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-26.1	175.8	-73.1	172.3	0	0	0	113.4	N217 L224 Q290	N217-L219 PolarHBondContact O-N 2.8Å; N217-L219 VanDerWaalsContact O-N 3.11Å; L219-L224 HydrophobicContact CD2-CD1 4Å; L219-Q290 PolarHBondContact O-NE2 3.35Å
220	H	80.6	Confident	79.2	Confident	82 Å²	82	43.3 Å²	43.3	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-90.7	-19.9	177.3	-61.3	-62.9	0	0	0	112.7	N217 F218 S284	N217-H220 PolarHBondContact O-N 3.37Å; F218-H220 VanDerWaalsContact C-N 3.25Å; F218-H220 PolarHBondContact O-N 3.09Å; H220-S284 PolarHBondContact CE1-OG 3.02Å; H220-S284 PolarHBondContact NE2-OG 3.28Å; H220-S284 VanDerWaalsContact NE2-OG 3.16Å
221	L	84.8	Confident	78.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-96.1	-33.5	-177.9	-58.4	176.1	0	0	0	112.3	I178 T179 F182 I199 F213 N217 F218 R294	I178-L221 HydrophobicContact CG2-CD1 4.22Å; T179-L221 HydrophobicContact CG2-CD2 4.44Å; F182-L221 HydrophobicContact CB-CB 4.23Å; F182-L221 HydrophobicContact CB-CD2 4.02Å; I199-L221 HydrophobicContact CD1-CB 3.87Å; F213-L221 HydrophobicContact CE1-CD1 3.93Å; F213-L221 HydrophobicContact CZ-CD1 4.18Å; N217-L221 HydrophobicContact CB-CD1 4.03Å; N217-L221 HydrophobicContact CB-CG 4.3Å; N217-L221 WeakPolarHBondContact O-CG 3.17Å; N217-L221 PolarHBondContact O-N 3.29Å; N217-L221 VanDerWaalsContact O-N 3.16Å; F218-L221 PolarHBondContact O-N 2.81Å; L221-R294 PolarHBondContact O-NH2 2.99Å
222	V	85.3	Confident	78.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.205	C	C	.	.			trans	-120.5	130	-176.4	-174.7	0	0	0	0	110	E192 V195 L196 I199 F218 L224 I227	E192-V222 HydrophobicContact CG-CG1 4.18Å; V195-V222 HydrophobicContact CG1-CG2 4.24Å; L196-V222 HydrophobicContact CB-CG1 4.21Å; L196-V222 HydrophobicContact CD1-CG1 4.36Å; L196-V222 HydrophobicContact CD1-CG2 4.2Å; I199-V222 HydrophobicContact CD1-CG2 3.49Å; I199-V222 VanDerWaalsContact CD1-CG2 3.49Å; F218-V222 PolarHBondContact O-N 3.18Å; V222-L224 HydrophobicContact CG1-CG 4.29Å; V222-L224 PolarHBondContact O-N 2.86Å; V222-I227 HydrophobicContact CG1-CD1 3.75Å
223	R	78.3	Confident	77.8	Confident	14 Å²	14	39.3 Å²	39.3	5%	0.053	19%	0.192	C	C	.	.			trans	-85.2	70.4	173.4	-58	-174.4	-170.3	150.9	5.2	110.6	D185 E192 P225 L226 K289 Q290 R292 P293 R294	D185-R223 IonicContact OD1-CZ 3.58Å; D185-R223 IonicContact OD1-NH2 3.35Å; D185-R223 PolarHBondContact OD1-NH2 2.72Å; E192-R223 HydrophobicContact CG-CB 3.87Å; E192-R223 PolarHBondContact OE1-N 2.69Å; R223-P225 VanDerWaalsContact C-N 3.26Å; R223-P225 WeakPolarHBondContact O-CD 3.45Å; R223-P225 VanDerWaalsContact O-N 3.11Å; R223-L226 HydrophobicContact CB-CD1 3.81Å; R223-L226 HydrophobicContact CB-CG 4.17Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.3Å; R223-K289 VanDerWaalsContact CD-O 3.3Å; R223-K289 WeakPolarHBondContact CD-O 3.46Å; R223-K289 PolarHBondContact NE-O 3.32Å; R223-Q290 WeakPolarHBondContact CB-O 3.46Å; R223-R292 WeakPolarHBondContact CD-O 3.1Å; R223-R292 PolarHBondContact NE-O 2.79Å; R223-R292 PolarHBondContact NH1-O 3.24Å; R223-P293 PolarHBondContact NH1-O 2.79Å; R223-R294 VanDerWaalsContact CZ-CG 3.42Å
224	L	75.3	Confident	77.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-46.7	-34.8	-178.9	-91.8	156	0	0	0	116.3	F218 L219 V222 L226 I227 L251 A254 H255 L258	F218-L224 HydrophobicContact CD2-CD1 3.49Å; F218-L224 VanDerWaalsContact CD2-CD1 3.49Å; F218-L224 HydrophobicContact CE2-CD1 3.34Å; L219-L224 HydrophobicContact CD2-CD1 4Å; V222-L224 HydrophobicContact CG1-CG 4.29Å; V222-L224 PolarHBondContact O-N 2.86Å; L224-L226 PolarHBondContact O-N 2.92Å; L224-I227 PolarHBondContact O-N 2.75Å; L224-L251 HydrophobicContact CD1-CD2 4.14Å; L224-L251 HydrophobicContact CD2-CD2 3.88Å; L224-L251 HydrophobicContact CG-CD2 4.35Å; L224-A254 HydrophobicContact CD1-CB 4.17Å; L224-H255 HydrophobicContact CD2-CB 4.32Å; L224-H255 PolarHBondContact O-ND1 3.22Å; L224-L258 HydrophobicContact CB-CD1 3.73Å
225	P	68.7	Low	77.4	Confident	17 Å²	17	42.6 Å²	42.6	11%	0.11	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.4	174.9	-25.5	35.8	0	0	0	114.2	R223 L258 Q290 Y291	R223-P225 VanDerWaalsContact C-N 3.26Å; R223-P225 WeakPolarHBondContact O-CD 3.45Å; R223-P225 VanDerWaalsContact O-N 3.11Å; P225-L258 HydrophobicContact CG-CD1 4.2Å; P225-L258 HydrophobicContact CG-CD2 4.09Å; P225-Q290 HydrophobicContact CG-CB 4.39Å; P225-Y291 HydrophobicContact CB-CD1 3.74Å; P225-Y291 HydrophobicContact CB-CE1 3.67Å; P225-Y291 HydrophobicContact CG-CD1 3.99Å; P225-Y291 HydrophobicContact CG-CE1 3.68Å
226	L	65.7	Low	77.5	Confident	30 Å²	30	41.7 Å²	41.7	16%	0.157	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-87.9	-3.5	-177.6	-58.3	178.7	0	0	0	113.7	E192 R223 L224 P293 M704	E192-L226 HydrophobicContact CB-CB 4.02Å; R223-L226 HydrophobicContact CB-CD1 3.81Å; R223-L226 HydrophobicContact CB-CG 4.17Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.3Å; L224-L226 PolarHBondContact O-N 2.92Å; L226-P293 HydrophobicContact CD1-CB 4.27Å; L226-P293 HydrophobicContact CD1-CG 4.34Å; L226-M704 VanDerWaalsContact C-CE 3.43Å; L226-M704 WeakPolarHBondContact O-CE 3.4Å
227	I	71.9	Confident	77.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-95.8	126	177.8	-58.7	178.8	0	0	0	108	E192 L196 V222 L224 E231 L232 H255 M704	E192-I227 HydrophobicContact CB-CG1 3.99Å; E192-I227 HydrophobicContact CG-CD1 4.36Å; E192-I227 HydrophobicContact CG-CG1 4.2Å; L196-I227 HydrophobicContact CB-CD1 3.75Å; L196-I227 HydrophobicContact CD2-CD1 3.57Å; L196-I227 HydrophobicContact CG-CD1 4.24Å; V222-I227 HydrophobicContact CG1-CD1 3.75Å; L224-I227 PolarHBondContact O-N 2.75Å; I227-E231 HydrophobicContact CG2-CB 4.05Å; I227-L232 HydrophobicContact CG2-CB 4.26Å; I227-H255 PolarHBondContact O-CE1 2.69Å; I227-M704 VanDerWaalsContact C-CE 3.47Å
228	T	69.3	Low	77.7	Confident	39 Å²	39	40.7 Å²	40.7	24%	0.239	21%	0.208	C	C	.	.			trans	-69.9	155	-179.8	69.1	0	0	0	0	110.6	N230 E231 L232 M704	T228-N230 PolarHBondContact O-N 2.98Å; T228-E231 PolarHBondContact N-OE2 2.93Å; T228-E231 PolarHBondContact O-N 3.12Å; T228-E231 VanDerWaalsContact OG1-CB 3.31Å; T228-E231 WeakPolarHBondContact OG1-CB 3.34Å; T228-E231 WeakPolarHBondContact OG1-CG 3.41Å; T228-E231 PolarHBondContact OG1-N 2.87Å; T228-E231 PolarHBondContact OG1-OE2 3.34Å; T228-E231 VanDerWaalsContact OG1-OE2 3.13Å; T228-L232 PolarHBondContact O-N 2.93Å; T228-M704 HydrophobicContact CG2-CE 3.65Å; T228-M704 HydrophobicContact CG2-CG 4.37Å; T228-M704 HydrophobicContact CG2-SD 3.44Å; T228-M704 WeakPolarHBondContact CG2-SD 3.2Å
229	R	72.6	Confident	77.8	Confident	121 Å²	121	45.2 Å²	45.2	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-38.9	173.1	-174.1	-179.4	-176.8	80.4	0.1	111.9	L232 M233 N256	R229-L232 PolarHBondContact O-N 3.11Å; R229-M233 HydrophobicContact CG-CG 4.44Å; R229-M233 WeakPolarHBondContact O-CG 3.44Å; R229-M233 PolarHBondContact O-N 2.81Å; R229-N256 PolarHBondContact NH1-OD1 2.99Å
230	N	71.3	Confident	78.1	Confident	123 Å²	123	50.5 Å²	50.5	66%	0.658	26%	0.26	S	S	*	.	H	α-helix	trans	-66.4	-47	-179.2	-68.7	-12.9	0	0	0	111.2	T228 L232 M233 E234	T228-N230 PolarHBondContact O-N 2.98Å; N230-L232 VanDerWaalsContact C-N 3.32Å; N230-L232 PolarHBondContact O-N 3.15Å; N230-M233 PolarHBondContact O-N 3.28Å; N230-E234 WeakPolarHBondContact O-CG 3.49Å; N230-E234 PolarHBondContact O-N 3.34Å
231	E	73.1	Confident	78.2	Confident	27 Å²	27	47 Å²	47	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-44.6	175.2	-73.3	160.7	176.6	0	0	111.4	Q191 I227 T228 M233 E234 I235	Q191-E231 PolarHBondContact OE1-OE1 3.39Å; I227-E231 HydrophobicContact CG2-CB 4.05Å; T228-E231 PolarHBondContact N-OE2 2.93Å; T228-E231 PolarHBondContact O-N 3.12Å; T228-E231 VanDerWaalsContact OG1-CB 3.31Å; T228-E231 WeakPolarHBondContact OG1-CB 3.34Å; T228-E231 WeakPolarHBondContact OG1-CG 3.41Å; T228-E231 PolarHBondContact OG1-N 2.87Å; T228-E231 PolarHBondContact OG1-OE2 3.34Å; T228-E231 VanDerWaalsContact OG1-OE2 3.13Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.92Å; E231-E234 WeakPolarHBondContact O-CB 3.29Å; E231-E234 PolarHBondContact O-N 2.8Å; E231-I235 VanDerWaalsContact O-CG1 3.24Å; E231-I235 WeakPolarHBondContact O-CG1 3.25Å; E231-I235 PolarHBondContact O-N 2.67Å
232	L	78.5	Confident	77.9	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41.5	178.3	-174.2	65.5	0	0	0	111.7	L196 I227 T228 R229 N230 E234 I235 I236 L251 F252 H255	L196-L232 HydrophobicContact CD2-CD1 4.02Å; I227-L232 HydrophobicContact CG2-CB 4.26Å; T228-L232 PolarHBondContact O-N 2.93Å; R229-L232 PolarHBondContact O-N 3.11Å; N230-L232 VanDerWaalsContact C-N 3.32Å; N230-L232 PolarHBondContact O-N 3.15Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-I235 PolarHBondContact O-N 3.27Å; L232-I236 HydrophobicContact CD1-CD1 4.45Å; L232-I236 HydrophobicContact CG-CD1 3.94Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.16Å; L232-L251 HydrophobicContact CD1-CB 4.3Å; L232-F252 HydrophobicContact CD2-CD2 4.39Å; L232-H255 HydrophobicContact CD2-CB 3.56Å
233	M	79.2	Confident	77.6	Confident	79 Å²	79	53.9 Å²	53.9	39%	0.389	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-36	177.6	-68.6	-62	-73.4	0	0	112.2	R229 N230 E231 I236 S237 F252	R229-M233 HydrophobicContact CG-CG 4.44Å; R229-M233 WeakPolarHBondContact O-CG 3.44Å; R229-M233 PolarHBondContact O-N 2.81Å; N230-M233 PolarHBondContact O-N 3.28Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.92Å; M233-I236 PolarHBondContact O-N 3.28Å; M233-I236 HydrophobicContact SD-CD1 4.39Å; M233-S237 WeakPolarHBondContact O-CB 3.47Å; M233-S237 PolarHBondContact O-N 2.84Å; M233-S237 PolarHBondContact O-OG 3.01Å; M233-F252 HydrophobicContact SD-CD2 4.13Å; M233-F252 HydrophobicContact SD-CE2 3.61Å
234	E	82.8	Confident	77.9	Confident	106 Å²	106	53.2 Å²	53.2	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-44	171.8	-74.9	-179.3	-175.2	0	0	111.7	R193 N230 E231 L232 S237 N238	R193-E234 IonicContact CZ-OE2 3.64Å; R193-E234 IonicContact NH1-OE2 3.73Å; R193-E234 PolarHBondContact NH1-OE2 3.05Å; R193-E234 IonicContact NH2-OE2 2.76Å; N230-E234 WeakPolarHBondContact O-CG 3.49Å; N230-E234 PolarHBondContact O-N 3.34Å; E231-E234 WeakPolarHBondContact O-CB 3.29Å; E231-E234 PolarHBondContact O-N 2.8Å; L232-E234 VanDerWaalsContact C-N 3.35Å; E234-S237 PolarHBondContact O-N 2.71Å; E234-N238 PolarHBondContact O-N 3.34Å; E234-N238 VanDerWaalsContact O-N 3.14Å
235	I	83	Confident	78.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-45.9	177.2	-65.7	164.1	0	0	0	110.5	R193 L196 E197 L200 E231 L232 S237 N238 Y241 L248	R193-I235 HydrophobicContact CG-CD1 3.92Å; L196-I235 HydrophobicContact CD2-CD1 3.77Å; L196-I235 HydrophobicContact CG-CD1 4.4Å; E197-I235 HydrophobicContact CG-CD1 4.28Å; E197-I235 HydrophobicContact CG-CG1 4.21Å; L200-I235 HydrophobicContact CD1-CG2 3.38Å; E231-I235 VanDerWaalsContact O-CG1 3.24Å; E231-I235 WeakPolarHBondContact O-CG1 3.25Å; E231-I235 PolarHBondContact O-N 2.67Å; L232-I235 PolarHBondContact O-N 3.27Å; I235-S237 VanDerWaalsContact C-N 3.27Å; I235-S237 PolarHBondContact O-N 2.92Å; I235-N238 WeakPolarHBondContact O-CB 3.46Å; I235-N238 PolarHBondContact O-N 2.78Å; I235-N238 VanDerWaalsContact O-N 3.14Å; I235-Y241 HydrophobicContact CG2-CD2 3.83Å; I235-Y241 HydrophobicContact CG2-CE2 4.02Å; I235-Y241 WeakPolarHBondContact O-CD2 3.24Å; I235-L248 HydrophobicContact CG2-CD2 4.35Å
236	I	83.2	Confident	78.7	Confident	52 Å²	52	61 Å²	61	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-36.4	178.2	-67.7	165.6	0	0	0	111.4	L232 M233 N238 L248 F252	L232-I236 HydrophobicContact CD1-CD1 4.45Å; L232-I236 HydrophobicContact CG-CD1 3.94Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.16Å; M233-I236 PolarHBondContact O-N 3.28Å; M233-I236 HydrophobicContact SD-CD1 4.39Å; I236-N238 VanDerWaalsContact C-N 3.25Å; I236-N238 PolarHBondContact O-N 2.9Å; I236-L248 HydrophobicContact CG1-CB 4.35Å; I236-L248 HydrophobicContact CG1-CD2 4.27Å; I236-F252 HydrophobicContact CD1-CB 3.99Å; I236-F252 HydrophobicContact CD1-CD2 3.79Å; I236-F252 HydrophobicContact CD1-CG 4.26Å
237	S	84	Confident	79.6	Confident	93 Å²	93	59.5 Å²	59.5	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-76.7	-12.8	-180	-56	0	0	0	0	113.1	M233 E234 I235 P239	M233-S237 WeakPolarHBondContact O-CB 3.47Å; M233-S237 PolarHBondContact O-N 2.84Å; M233-S237 PolarHBondContact O-OG 3.01Å; E234-S237 PolarHBondContact O-N 2.71Å; I235-S237 VanDerWaalsContact C-N 3.27Å; I235-S237 PolarHBondContact O-N 2.92Å; S237-P239 WeakPolarHBondContact O-CD 3.17Å
238	N	84.6	Confident	80.2	Confident	44 Å²	44	59.7 Å²	59.7	24%	0.235	33%	0.327	C	S	.	.			trans	-76.5	120.2	-175.9	-168.1	-26	0	0	0	110.9	E234 I235 I236 K240 Y241	E234-N238 PolarHBondContact O-N 3.34Å; E234-N238 VanDerWaalsContact O-N 3.14Å; I235-N238 WeakPolarHBondContact O-CB 3.46Å; I235-N238 PolarHBondContact O-N 2.78Å; I235-N238 VanDerWaalsContact O-N 3.14Å; I236-N238 VanDerWaalsContact C-N 3.25Å; I236-N238 PolarHBondContact O-N 2.9Å; N238-K240 PolarHBondContact O-N 3.01Å; N238-K240 WeakPolarHBondContact OD1-CB 3.46Å; N238-K240 WeakPolarHBondContact OD1-CG 3.27Å; N238-K240 PolarHBondContact OD1-N 3.08Å; N238-K240 VanDerWaalsContact OD1-N 3.15Å; N238-Y241 HydrophobicContact CB-CD2 3.87Å; N238-Y241 HydrophobicContact CB-CE2 4.01Å; N238-Y241 PolarHBondContact O-N 2.93Å; N238-Y241 VanDerWaalsContact O-N 3.16Å
239	P	84.1	Confident	80.7	Confident	100 Å²	100	63 Å²	63	65%	0.649	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61.8	-22.2	-177.1	24.3	-34.4	0	0	0	113.3	S237 Y241 S242	S237-P239 WeakPolarHBondContact O-CD 3.17Å; P239-Y241 PolarHBondContact O-N 3.18Å; P239-S242 WeakPolarHBondContact O-CB 3.34Å; P239-S242 PolarHBondContact O-N 2.86Å; P239-S242 PolarHBondContact O-OG 2.8Å
240	K	83.3	Confident	81.1	Confident	130 Å²	130	58 Å²	58	57%	0.565	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-58.1	-29.7	177.7	-66.8	-177	-179.4	-174.2	0	113.2	F166 N238	F166-K240 HydrophobicContact CZ-CD 4.04Å; N238-K240 PolarHBondContact O-N 3.01Å; N238-K240 WeakPolarHBondContact OD1-CB 3.46Å; N238-K240 WeakPolarHBondContact OD1-CG 3.27Å; N238-K240 PolarHBondContact OD1-N 3.08Å; N238-K240 VanDerWaalsContact OD1-N 3.15Å
241	Y	83.6	Confident	81.7	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.035	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-103.4	1.5	-175.5	-48	-52	0	0	0	113.6	E197 L200 V201 I235 N238 P239 A243 A244	E197-Y241 HydrophobicContact CG-CE2 4.37Å; L200-Y241 HydrophobicContact CB-CD1 3.77Å; L200-Y241 HydrophobicContact CB-CE1 4.09Å; L200-Y241 HydrophobicContact CB-CG 4.21Å; L200-Y241 HydrophobicContact CD1-CD2 4.23Å; L200-Y241 HydrophobicContact CD1-CG 4.17Å; V201-Y241 HydrophobicContact CG2-CE1 3.82Å; I235-Y241 HydrophobicContact CG2-CD2 3.83Å; I235-Y241 HydrophobicContact CG2-CE2 4.02Å; I235-Y241 WeakPolarHBondContact O-CD2 3.24Å; N238-Y241 HydrophobicContact CB-CD2 3.87Å; N238-Y241 HydrophobicContact CB-CE2 4.01Å; N238-Y241 PolarHBondContact O-N 2.93Å; N238-Y241 VanDerWaalsContact O-N 3.16Å; P239-Y241 PolarHBondContact O-N 3.18Å; Y241-A243 PolarHBondContact O-N 2.91Å; Y241-A243 VanDerWaalsContact O-N 3.08Å; Y241-A244 PolarHBondContact O-N 2.95Å
242	S	78.3	Confident	82.1	Confident	80 Å²	80	53.8 Å²	53.8	56%	0.559	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.4	-175.1	58.7	0	0	0	0	114.1	P239 A244 N245	P239-S242 WeakPolarHBondContact O-CB 3.34Å; P239-S242 PolarHBondContact O-N 2.86Å; P239-S242 PolarHBondContact O-OG 2.8Å; S242-A244 PolarHBondContact O-N 3.04Å; S242-N245 PolarHBondContact O-N 3.31Å
243	A	79.6	Confident	82.1	Confident	66 Å²	66	56.9 Å²	56.9	55%	0.545	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61.7	-26.2	176	0	0	0	0	0	113.4	V207 Y241	V207-A243 HydrophobicContact CG2-CB 4.4Å; Y241-A243 PolarHBondContact O-N 2.91Å; Y241-A243 VanDerWaalsContact O-N 3.08Å
244	A	82.8	Confident	82	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-105.9	44	-179	0	0	0	0	0	112.1	L203 Y241 S242 D246 A247 L248	L203-A244 HydrophobicContact CD2-CB 3.86Å; L203-A244 HydrophobicContact CG-CB 4.17Å; Y241-A244 PolarHBondContact O-N 2.95Å; S242-A244 PolarHBondContact O-N 3.04Å; A244-D246 VanDerWaalsContact C-N 3.29Å; A244-D246 PolarHBondContact O-N 3.35Å; A244-A247 HydrophobicContact CB-CB 4.23Å; A244-A247 WeakPolarHBondContact O-CB 3.35Å; A244-A247 PolarHBondContact O-N 3.04Å; A244-L248 PolarHBondContact O-N 2.79Å; A244-L248 VanDerWaalsContact O-N 3.09Å
245	N	81.4	Confident	81.7	Confident	88 Å²	88	48.4 Å²	48.4	47%	0.471	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-40	-174.5	-160.4	10.3	0	0	0	113.4	S242 A247 L248 Q249	S242-N245 PolarHBondContact O-N 3.31Å; N245-A247 VanDerWaalsContact C-N 3.3Å; N245-A247 PolarHBondContact O-N 2.89Å; N245-L248 PolarHBondContact O-N 2.89Å; N245-Q249 WeakPolarHBondContact O-CG 3.34Å; N245-Q249 PolarHBondContact O-N 2.59Å
246	D	81.3	Confident	81.2	Confident	92 Å²	92	50.4 Å²	50.4	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-40	176.6	-66.9	-5.9	0	0	0	112.1	M211 A244 Q249 L250	M211-D246 HydrophobicContact CE-CB 3.84Å; M211-D246 HydrophobicContact SD-CB 4.24Å; A244-D246 VanDerWaalsContact C-N 3.29Å; A244-D246 PolarHBondContact O-N 3.35Å; D246-Q249 PolarHBondContact O-N 3.02Å; D246-L250 WeakPolarHBondContact O-CB 3.37Å; D246-L250 WeakPolarHBondContact O-CD1 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.48Å; D246-L250 PolarHBondContact O-N 3.48Å
247	A	83.5	Confident	80.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-39.6	177.5	0	0	0	0	0	111.5	L203 M211 F214 A244 N245 L250 L251	L203-A247 HydrophobicContact CD2-CB 3.41Å; L203-A247 VanDerWaalsContact CD2-CB 3.41Å; M211-A247 HydrophobicContact CE-CB 3.96Å; M211-A247 HydrophobicContact SD-CB 4.06Å; F214-A247 HydrophobicContact CD1-CB 3.84Å; F214-A247 HydrophobicContact CE1-CB 3.56Å; F214-A247 HydrophobicContact CZ-CB 4.22Å; A244-A247 HydrophobicContact CB-CB 4.23Å; A244-A247 WeakPolarHBondContact O-CB 3.35Å; A244-A247 PolarHBondContact O-N 3.04Å; N245-A247 VanDerWaalsContact C-N 3.3Å; N245-A247 PolarHBondContact O-N 2.89Å; A247-L250 WeakPolarHBondContact O-CB 3.22Å; A247-L250 PolarHBondContact O-N 2.93Å; A247-L251 WeakPolarHBondContact O-CB 3.25Å; A247-L251 WeakPolarHBondContact O-CD1 3.42Å; A247-L251 VanDerWaalsContact O-CG 3.23Å; A247-L251 WeakPolarHBondContact O-CG 3.09Å; A247-L251 PolarHBondContact O-N 2.91Å
248	L	83.7	Confident	79.4	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-42.3	175.4	-66.3	175.3	0	0	0	111.7	L200 I235 I236 A244 N245 L251 F252	L200-L248 HydrophobicContact CD1-CD2 4.01Å; L200-L248 HydrophobicContact CD2-CD2 4.15Å; I235-L248 HydrophobicContact CG2-CD2 4.35Å; I236-L248 HydrophobicContact CG1-CB 4.35Å; I236-L248 HydrophobicContact CG1-CD2 4.27Å; A244-L248 PolarHBondContact O-N 2.79Å; A244-L248 VanDerWaalsContact O-N 3.09Å; N245-L248 PolarHBondContact O-N 2.89Å; L248-L251 HydrophobicContact CD2-CD1 4.45Å; L248-L251 PolarHBondContact O-N 3.32Å; L248-F252 PolarHBondContact O-N 2.9Å
249	Q	81.3	Confident	77.9	Confident	107 Å²	107	47.7 Å²	47.7	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-42.1	174.6	-71.3	-179.4	11.1	0	0	112	N245 D246 F252 L253	N245-Q249 WeakPolarHBondContact O-CG 3.34Å; N245-Q249 PolarHBondContact O-N 2.59Å; D246-Q249 PolarHBondContact O-N 3.02Å; Q249-F252 PolarHBondContact O-N 3.04Å; Q249-L253 WeakPolarHBondContact O-CG 2.99Å; Q249-L253 PolarHBondContact O-N 3.49Å
250	L	81.4	Confident	76.3	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.7	-73.7	163.3	0	0	0	112	K215 D246 A247 F252 L253 A254 W276	K215-L250 HydrophobicContact CD-CD1 4.26Å; K215-L250 HydrophobicContact CG-CD1 3.62Å; D246-L250 WeakPolarHBondContact O-CB 3.37Å; D246-L250 WeakPolarHBondContact O-CD1 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.48Å; D246-L250 PolarHBondContact O-N 3.48Å; A247-L250 WeakPolarHBondContact O-CB 3.22Å; A247-L250 PolarHBondContact O-N 2.93Å; L250-F252 VanDerWaalsContact C-N 3.33Å; L250-F252 PolarHBondContact O-N 3.3Å; L250-L253 PolarHBondContact O-N 3.41Å; L250-A254 VanDerWaalsContact O-CB 3.3Å; L250-A254 WeakPolarHBondContact O-CB 3.43Å; L250-A254 PolarHBondContact O-N 3.26Å; L250-W276 HydrophobicContact CD2-CH2 3.88Å; L250-W276 HydrophobicContact CD2-CZ2 3.36Å
251	L	83.8	Confident	74.4	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-42.3	176.9	-72.3	162	0	0	0	111.5	L196 L200 F214 F218 L224 L232 A247 L248 A254 H255	L196-L251 HydrophobicContact CD1-CD1 3.73Å; L196-L251 HydrophobicContact CD1-CD2 3.8Å; L196-L251 HydrophobicContact CD1-CG 4.43Å; L196-L251 HydrophobicContact CD2-CD1 4.42Å; L200-L251 HydrophobicContact CD2-CD1 4.12Å; F214-L251 HydrophobicContact CE1-CG 4.42Å; F214-L251 HydrophobicContact CZ-CD1 4.03Å; F214-L251 HydrophobicContact CZ-CD2 4.01Å; F214-L251 HydrophobicContact CZ-CG 4.02Å; F218-L251 HydrophobicContact CD2-CD2 4.09Å; L224-L251 HydrophobicContact CD1-CD2 4.14Å; L224-L251 HydrophobicContact CD2-CD2 3.88Å; L224-L251 HydrophobicContact CG-CD2 4.35Å; L232-L251 HydrophobicContact CD1-CB 4.3Å; A247-L251 WeakPolarHBondContact O-CB 3.25Å; A247-L251 WeakPolarHBondContact O-CD1 3.42Å; A247-L251 VanDerWaalsContact O-CG 3.23Å; A247-L251 WeakPolarHBondContact O-CG 3.09Å; A247-L251 PolarHBondContact O-N 2.91Å; L248-L251 HydrophobicContact CD2-CD1 4.45Å; L248-L251 PolarHBondContact O-N 3.32Å; L251-A254 PolarHBondContact O-N 3.21Å; L251-H255 VanDerWaalsContact O-CB 3.28Å; L251-H255 WeakPolarHBondContact O-CB 3.21Å; L251-H255 PolarHBondContact O-N 2.81Å
252	F	81.6	Confident	72.2	Confident	62 Å²	62	50.9 Å²	50.9	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-44.7	177.4	-173.3	-103.5	0	0	0	112.4	L232 M233 I236 L248 Q249 L250 N256	L232-F252 HydrophobicContact CD2-CD2 4.39Å; M233-F252 HydrophobicContact SD-CD2 4.13Å; M233-F252 HydrophobicContact SD-CE2 3.61Å; I236-F252 HydrophobicContact CD1-CB 3.99Å; I236-F252 HydrophobicContact CD1-CD2 3.79Å; I236-F252 HydrophobicContact CD1-CG 4.26Å; L248-F252 PolarHBondContact O-N 2.9Å; Q249-F252 PolarHBondContact O-N 3.04Å; L250-F252 VanDerWaalsContact C-N 3.33Å; L250-F252 PolarHBondContact O-N 3.3Å; F252-N256 WeakPolarHBondContact CD1-ND2 3.31Å; F252-N256 WeakPolarHBondContact CE1-ND2 3.28Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.32Å; F252-N256 VanDerWaalsContact O-CG 3.25Å; F252-N256 PolarHBondContact O-N 3.32Å; F252-N256 VanDerWaalsContact O-N 3.08Å; F252-N256 PolarHBondContact O-ND2 3.25Å; F252-N256 VanDerWaalsContact O-ND2 3.15Å
253	L	78	Confident	70.2	Confident	67 Å²	67	50.5 Å²	50.5	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-43.9	176.4	-72.1	169.9	0	0	0	111.9	Q249 L250 N256 S257	Q249-L253 WeakPolarHBondContact O-CG 2.99Å; Q249-L253 PolarHBondContact O-N 3.49Å; L250-L253 PolarHBondContact O-N 3.41Å; L253-N256 PolarHBondContact O-N 3.03Å; L253-S257 PolarHBondContact O-N 3.04Å; L253-S257 VanDerWaalsContact O-N 3.08Å; L253-S257 PolarHBondContact O-OG 2.86Å
254	A	77.7	Confident	68.2	Low	4 Å²	4	51.7 Å²	51.7	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.6	0	0	0	0	0	111.8	F218 L224 L250 L251 N256 S257 L258	F218-A254 HydrophobicContact CE2-CB 3.77Å; F218-A254 HydrophobicContact CZ-CB 3.97Å; L224-A254 HydrophobicContact CD1-CB 4.17Å; L250-A254 VanDerWaalsContact O-CB 3.3Å; L250-A254 WeakPolarHBondContact O-CB 3.43Å; L250-A254 PolarHBondContact O-N 3.26Å; L251-A254 PolarHBondContact O-N 3.21Å; A254-N256 PolarHBondContact O-N 3.35Å; A254-S257 WeakPolarHBondContact CA-OG 3.25Å; A254-S257 PolarHBondContact O-N 3.38Å; A254-S257 PolarHBondContact O-OG 3.47Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 WeakPolarHBondContact O-CD1 3.4Å; A254-L258 WeakPolarHBondContact O-CG 3.24Å; A254-L258 PolarHBondContact O-N 2.74Å
255	H	76	Confident	66	Low	2 Å²	2	57.8 Å²	57.8	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-39.1	179.2	-175	73.9	0	0	0	112.5	L224 I227 L232 L251 N259	L224-H255 HydrophobicContact CD2-CB 4.32Å; L224-H255 PolarHBondContact O-ND1 3.22Å; I227-H255 PolarHBondContact O-CE1 2.69Å; L232-H255 HydrophobicContact CD2-CB 3.56Å; L251-H255 VanDerWaalsContact O-CB 3.28Å; L251-H255 WeakPolarHBondContact O-CB 3.21Å; L251-H255 PolarHBondContact O-N 2.81Å; H255-N259 PolarHBondContact CE1-ND2 3.27Å; H255-N259 PolarHBondContact NE2-ND2 2.78Å; H255-N259 VanDerWaalsContact NE2-ND2 3.11Å; H255-N259 PolarHBondContact O-N 2.9Å
256	N	71.6	Confident	63.8	Low	42 Å²	42	59.1 Å²	59.1	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-67	-39.6	176.5	-70.6	-29.1	0	0	0	112.5	R229 F252 L253 A254 Q260	R229-N256 PolarHBondContact NH1-OD1 2.99Å; F252-N256 WeakPolarHBondContact CD1-ND2 3.31Å; F252-N256 WeakPolarHBondContact CE1-ND2 3.28Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.32Å; F252-N256 VanDerWaalsContact O-CG 3.25Å; F252-N256 PolarHBondContact O-N 3.32Å; F252-N256 VanDerWaalsContact O-N 3.08Å; F252-N256 PolarHBondContact O-ND2 3.25Å; F252-N256 VanDerWaalsContact O-ND2 3.15Å; L253-N256 PolarHBondContact O-N 3.03Å; A254-N256 PolarHBondContact O-N 3.35Å; N256-Q260 PolarHBondContact O-N 2.84Å
257	S	66.8	Low	61.5	Low	18 Å²	18	56.5 Å²	56.5	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-70.8	-33.1	179.1	46.1	0	0	0	0	112.8	L253 A254	L253-S257 PolarHBondContact O-N 3.04Å; L253-S257 VanDerWaalsContact O-N 3.08Å; L253-S257 PolarHBondContact O-OG 2.86Å; A254-S257 WeakPolarHBondContact CA-OG 3.25Å; A254-S257 PolarHBondContact O-N 3.38Å; A254-S257 PolarHBondContact O-OG 3.47Å
258	L	63.4	Low	59.1	Low	20 Å²	20	64.6 Å²	64.6	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-36.4	174.7	-84.5	162.8	0	0	0	113.6	L224 P225 A254 L285	L224-L258 HydrophobicContact CB-CD1 3.73Å; P225-L258 HydrophobicContact CG-CD1 4.2Å; P225-L258 HydrophobicContact CG-CD2 4.09Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 WeakPolarHBondContact O-CD1 3.4Å; A254-L258 WeakPolarHBondContact O-CG 3.24Å; A254-L258 PolarHBondContact O-N 2.74Å; L258-L285 HydrophobicContact CD2-CD2 3.18Å; L258-L285 HydrophobicContact CG-CD2 3.84Å
259	N	52.6	Low	56.8	Low	94 Å²	94	73.4 Å²	73.4	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-90.3	-9	-175.1	-73.8	-23.8	0	0	0	114.3	H255	H255-N259 PolarHBondContact CE1-ND2 3.27Å; H255-N259 PolarHBondContact NE2-ND2 2.78Å; H255-N259 VanDerWaalsContact NE2-ND2 3.11Å; H255-N259 PolarHBondContact O-N 2.9Å
260	Q	50.4	Low	54.6	Low	105 Å²	105	73.1 Å²	73.1	49%	0.491	38%	0.376	S	S	.	.			trans	-137.7	97.3	175.5	-71.3	-161.7	-3.9	0	0	111.2	N256 S262 F263	N256-Q260 PolarHBondContact O-N 2.84Å; Q260-S262 PolarHBondContact O-N 3Å; Q260-S262 VanDerWaalsContact O-N 3.08Å; Q260-F263 HydrophobicContact CB-CB 4.26Å; Q260-F263 WeakPolarHBondContact O-CB 3.46Å; Q260-F263 PolarHBondContact O-N 3.3Å
261	P	43.1	Very low	52.2	Low	111 Å²	111	76.8 Å²	76.8	72%	0.721	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-59	-24.3	177.4	-21	30.7	0	0	0	113.2	F263	P261-F263 VanDerWaalsContact C-N 3.26Å; P261-F263 PolarHBondContact O-N 3.42Å
262	S	38.9	Very low	50	Low	91 Å²	91	78.1 Å²	78.1	64%	0.636	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.3	177.4	44.9	0	0	0	0	114.3	Q260	Q260-S262 PolarHBondContact O-N 3Å; Q260-S262 VanDerWaalsContact O-N 3.08Å
263	F	35.9	Very low	47.8	Very low	72 Å²	72	79.8 Å²	79.8	32%	0.316	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-85.4	-10.7	-175.9	-144.5	-94.9	0	0	0	113.9	Q260 P261 N265 E266 L267	Q260-F263 HydrophobicContact CB-CB 4.26Å; Q260-F263 WeakPolarHBondContact O-CB 3.46Å; Q260-F263 PolarHBondContact O-N 3.3Å; P261-F263 VanDerWaalsContact C-N 3.26Å; P261-F263 PolarHBondContact O-N 3.42Å; F263-N265 PolarHBondContact O-N 3.48Å; F263-E266 HydrophobicContact CE1-CB 4.35Å; F263-E266 WeakPolarHBondContact CE2-OE2 3.46Å; F263-E266 HydrophobicContact CZ-CB 4.35Å; F263-E266 WeakPolarHBondContact CZ-OE2 3.41Å; F263-E266 PolarHBondContact O-N 3.32Å; F263-E266 VanDerWaalsContact O-N 3.11Å; F263-L267 HydrophobicContact CD1-CD1 4.33Å; F263-L267 HydrophobicContact CD1-CG 4.17Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 PolarHBondContact O-N 3Å
264	L	36.9	Very low	45.9	Very low	90 Å²	90	83.3 Å²	83.3	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-29.4	175	-74.7	170.2	0	0	0	112.3
265	N	36.5	Very low	44.2	Very low	128 Å²	128	87.8 Å²	87.8	68%	0.684	47%	0.471	S	S	*	.	H	α-helix	trans	-77.9	-18.4	178	-73.4	-10.2	0	0	0	114	F263	F263-N265 PolarHBondContact O-N 3.48Å
266	E	35.4	Very low	42.3	Very low	116 Å²	116	90.4 Å²	90.4	54%	0.542	48%	0.481	S	S	.	.	H	α-helix	trans	-91.2	-22.8	176.2	-78.6	-165.2	153.3	0	0	112.9	F263 E268 K269	F263-E266 HydrophobicContact CE1-CB 4.35Å; F263-E266 WeakPolarHBondContact CE2-OE2 3.46Å; F263-E266 HydrophobicContact CZ-CB 4.35Å; F263-E266 WeakPolarHBondContact CZ-OE2 3.41Å; F263-E266 PolarHBondContact O-N 3.32Å; F263-E266 VanDerWaalsContact O-N 3.11Å; E266-E268 VanDerWaalsContact C-N 3.26Å; E266-E268 PolarHBondContact O-N 3.37Å; E266-K269 PolarHBondContact O-N 3.43Å
267	L	33.8	Very low	40.7	Very low	37 Å²	37	90.6 Å²	90.6	19%	0.194	49%	0.493	C	S	.	.	H	α-helix	trans	-71	-18	175.3	-75.2	163.8	0	0	0	113.4	F263 K269 I270 I272	F263-L267 HydrophobicContact CD1-CD1 4.33Å; F263-L267 HydrophobicContact CD1-CG 4.17Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 PolarHBondContact O-N 3Å; L267-K269 PolarHBondContact O-N 3.46Å; L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-O 3.12Å; L267-I272 HydrophobicContact CD2-CD1 3.83Å
268	E	33.1	Very low	39.4	Very low	170 Å²	170	94.7 Å²	94.7	79%	0.794	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.8	170.1	-78	-170.2	154.6	0	0	113.4	E266	E266-E268 VanDerWaalsContact C-N 3.26Å; E266-E268 PolarHBondContact O-N 3.37Å
269	K	35.5	Very low	38.1	Very low	189 Å²	189	100.7 Å²	100.7	82%	0.822	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.5	179.6	-73.2	-179.7	-179.8	171.7	0	114.4	E266 L267	E266-K269 PolarHBondContact O-N 3.43Å; L267-K269 PolarHBondContact O-N 3.46Å
270	I	33.3	Very low	37.3	Very low	101 Å²	101	104.9 Å²	104.9	52%	0.518	56%	0.559	S	S	.	*	S	Bend	trans	-99	125.5	174.9	-54.8	177.6	0	0	0	106	L267 I272	L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-O 3.12Å; I270-I272 HydrophobicContact CB-CD1 4.14Å; I270-I272 HydrophobicContact CB-CG1 4.26Å; I270-I272 HydrophobicContact CG2-CD1 3.97Å; I270-I272 HydrophobicContact CG2-CG1 3.91Å; I270-I272 PolarHBondContact O-N 3.43Å
271	S	32.7	Very low	36.7	Very low	93 Å²	93	101.8 Å²	101.8	65%	0.65	55%	0.546	S	S	*	.	S	Bend	trans	-59.2	70.3	-178.1	-175.6	0	0	0	0	113
272	I	35.8	Very low	36.5	Very low	29 Å²	29	100.1 Å²	100.1	15%	0.149	53%	0.533	C	S	.	.			trans	-107.8	-0.7	179.1	-56.5	173.9	0	0	0	110.3	L267 I270 D274 I275 W276	L267-I272 HydrophobicContact CD2-CD1 3.83Å; I270-I272 HydrophobicContact CB-CD1 4.14Å; I270-I272 HydrophobicContact CB-CG1 4.26Å; I270-I272 HydrophobicContact CG2-CD1 3.97Å; I270-I272 HydrophobicContact CG2-CG1 3.91Å; I270-I272 PolarHBondContact O-N 3.43Å; I272-D274 PolarHBondContact O-N 2.85Å; I272-I275 HydrophobicContact CG2-CB 4.31Å; I272-I275 PolarHBondContact O-N 2.85Å; I272-W276 HydrophobicContact CG2-CD2 4.04Å; I272-W276 HydrophobicContact CG2-CE3 3.21Å; I272-W276 HydrophobicContact CG2-CZ3 3.57Å; I272-W276 PolarHBondContact O-N 3.48Å
273	S	35.5	Very low	36.4	Very low	97 Å²	97	101.5 Å²	101.5	68%	0.678	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.6	170.7	54	0	0	0	0	113.4
274	D	39.2	Very low	36.7	Very low	140 Å²	140	98.6 Å²	98.6	75%	0.749	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.5	-178.7	-62.9	-13.4	0	0	0	113.4	I272	I272-D274 PolarHBondContact O-N 2.85Å
275	I	42.7	Very low	37	Very low	99 Å²	99	96.3 Å²	96.3	51%	0.508	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-27.2	-177.1	-59.7	177	0	0	0	111.8	I272	I272-I275 HydrophobicContact CG2-CB 4.31Å; I272-I275 PolarHBondContact O-N 2.85Å
276	W	35.9	Very low	37.5	Very low	56 Å²	56	96.4 Å²	96.4	21%	0.212	51%	0.509	C	S	.	.			trans	-133.4	120.2	-178.8	-67.9	-43.6	0	0	0	112.6	L250 I272 S278 L281	L250-W276 HydrophobicContact CD2-CH2 3.88Å; L250-W276 HydrophobicContact CD2-CZ2 3.36Å; I272-W276 HydrophobicContact CG2-CD2 4.04Å; I272-W276 HydrophobicContact CG2-CE3 3.21Å; I272-W276 HydrophobicContact CG2-CZ3 3.57Å; I272-W276 PolarHBondContact O-N 3.48Å; W276-S278 PolarHBondContact O-N 3.16Å; W276-L281 HydrophobicContact CB-CD1 4.14Å; W276-L281 HydrophobicContact CD2-CD1 3.64Å; W276-L281 HydrophobicContact CE3-CD1 3.52Å; W276-L281 HydrophobicContact CG-CD1 3.92Å; W276-L281 HydrophobicContact CZ3-CD1 4.16Å
277	G	37.9	Very low	38.3	Very low	47 Å²	47	93.6 Å²	93.6	49%	0.485	50%	0.498	S	S	.	.			trans	-61.2	120	157.4	0	0	0	0	0	108.7	Q279 Y280	G277-Q279 PolarHBondContact O-N 3.38Å; G277-Y280 PolarHBondContact O-N 3.2Å
278	S	38.1	Very low	39.3	Very low	103 Å²	103	95.9 Å²	95.9	72%	0.72	52%	0.515	S	S	*	.	H	α-helix	trans	-53.4	-11.8	-174.9	57.6	0	0	0	0	115.8	W276 T282	W276-S278 PolarHBondContact O-N 3.16Å; S278-T282 PolarHBondContact O-OG1 3.19Å
279	Q	36.5	Very low	40.3	Very low	147 Å²	147	92.7 Å²	92.7	69%	0.687	50%	0.499	S	S	*	.	H	α-helix	trans	-83.3	-21.5	176.9	-80.9	177.4	-24.6	0	0	115.1	G277 T282	G277-Q279 PolarHBondContact O-N 3.38Å; Q279-T282 PolarHBondContact O-OG1 2.88Å
280	Y	36.4	Very low	41.6	Very low	182 Å²	182	84 Å²	84	71%	0.714	46%	0.461	S	S	*	.	H	α-helix	trans	-83	-36.2	-173.6	-74.4	-80.3	0	0	0	113.4	G277	G277-Y280 PolarHBondContact O-N 3.2Å
281	L	38.5	Very low	42.8	Very low	40 Å²	40	84.4 Å²	84.4	21%	0.209	46%	0.457	C	S	.	.	H	α-helix	trans	-66.9	-44.1	176	-94.7	146.1	0	0	0	111.3	W276 N283 L285	W276-L281 HydrophobicContact CB-CD1 4.14Å; W276-L281 HydrophobicContact CD2-CD1 3.64Å; W276-L281 HydrophobicContact CE3-CD1 3.52Å; W276-L281 HydrophobicContact CG-CD1 3.92Å; W276-L281 HydrophobicContact CZ3-CD1 4.16Å; L281-N283 PolarHBondContact O-N 3.06Å; L281-L285 HydrophobicContact CB-CD1 4.42Å; L281-L285 HydrophobicContact CD2-CD1 4.28Å; L281-L285 WeakPolarHBondContact O-CB 3.42Å; L281-L285 WeakPolarHBondContact O-CD1 3.22Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.29Å
282	T	38.1	Very low	44	Very low	75 Å²	75	86.7 Å²	86.7	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-33.9	-173.8	51.4	0	0	0	0	113.8	S278 Q279 I286	S278-T282 PolarHBondContact O-OG1 3.19Å; Q279-T282 PolarHBondContact O-OG1 2.88Å; T282-I286 VanDerWaalsContact O-CD1 3.25Å; T282-I286 WeakPolarHBondContact O-CD1 3.3Å; T282-I286 WeakPolarHBondContact O-CG1 3.32Å
283	N	37.4	Very low	44.9	Very low	120 Å²	120	86.6 Å²	86.6	64%	0.642	45%	0.453	S	S	*	.	H	α-helix	trans	-80.8	-34.5	-179.2	-77	-17.8	0	0	0	113.6	L281	L281-N283 PolarHBondContact O-N 3.06Å
284	S	42.1	Very low	46.3	Very low	12 Å²	12	82.4 Å²	82.4	8%	0.084	42%	0.422	C	S	.	.	H	α-helix	trans	-79.8	-25.9	179.3	-62.8	0	0	0	0	113.2	H220 I286 D287 Q290	H220-S284 PolarHBondContact CE1-OG 3.02Å; H220-S284 PolarHBondContact NE2-OG 3.28Å; H220-S284 VanDerWaalsContact NE2-OG 3.16Å; S284-I286 PolarHBondContact O-N 2.84Å; S284-D287 PolarHBondContact O-N 3Å; S284-Q290 PolarHBondContact O-NE2 2.84Å
285	L	43	Very low	47	Very low	41 Å²	41	77.3 Å²	77.3	22%	0.215	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15	173.2	-73.2	167.2	0	0	0	113.4	L258 L281	L258-L285 HydrophobicContact CD2-CD2 3.18Å; L258-L285 HydrophobicContact CG-CD2 3.84Å; L281-L285 HydrophobicContact CB-CD1 4.42Å; L281-L285 HydrophobicContact CD2-CD1 4.28Å; L281-L285 WeakPolarHBondContact O-CB 3.42Å; L281-L285 WeakPolarHBondContact O-CD1 3.22Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.29Å
286	I	46.9	Very low	47.3	Very low	130 Å²	130	72.9 Å²	72.9	67%	0.667	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.7	-177.4	-58.3	169.4	0	0	0	111.6	T282 S284 P288	T282-I286 VanDerWaalsContact O-CD1 3.25Å; T282-I286 WeakPolarHBondContact O-CD1 3.3Å; T282-I286 WeakPolarHBondContact O-CG1 3.32Å; S284-I286 PolarHBondContact O-N 2.84Å; I286-P288 WeakPolarHBondContact O-CD 3.17Å; I286-P288 VanDerWaalsContact O-N 3.08Å
287	D	52.1	Low	48.1	Very low	58 Å²	58	70.4 Å²	70.4	31%	0.31	37%	0.366	S	S	.	.			trans	-68.4	110.8	-179.6	-169	-13.9	0	0	0	110.1	S284 K289 Q290	S284-D287 PolarHBondContact O-N 3Å; D287-K289 PolarHBondContact O-N 3.2Å; D287-K289 WeakPolarHBondContact OD1-CB 3.5Å; D287-K289 WeakPolarHBondContact OD1-CG 3.48Å; D287-K289 PolarHBondContact OD1-N 3.3Å; D287-Q290 PolarHBondContact O-N 3.01Å
288	P	53.8	Low	48.9	Very low	85 Å²	85	69.1 Å²	69.1	55%	0.552	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.5	-16.6	-178.6	25.3	-34.3	0	0	0	112.4	I286 Q290 Y291	I286-P288 WeakPolarHBondContact O-CD 3.17Å; I286-P288 VanDerWaalsContact O-N 3.08Å; P288-Q290 VanDerWaalsContact C-N 3.28Å; P288-Q290 PolarHBondContact O-N 2.95Å; P288-Y291 PolarHBondContact O-N 3.22Å
289	K	54.1	Low	50.3	Low	102 Å²	102	68.3 Å²	68.3	44%	0.443	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.1	-29.6	172.8	-69.7	-169.4	170.7	-142.9	0	113.4	D185 R223 D287 Y291 R292	D185-K289 IonicContact OD2-NZ 2.87Å; D185-K289 PolarHBondContact OD2-NZ 3.02Å; R223-K289 VanDerWaalsContact CD-O 3.3Å; R223-K289 WeakPolarHBondContact CD-O 3.46Å; R223-K289 PolarHBondContact NE-O 3.32Å; D287-K289 PolarHBondContact O-N 3.2Å; D287-K289 WeakPolarHBondContact OD1-CB 3.5Å; D287-K289 WeakPolarHBondContact OD1-CG 3.48Å; D287-K289 PolarHBondContact OD1-N 3.3Å; K289-Y291 PolarHBondContact O-N 3.42Å; K289-R292 PolarHBondContact O-N 2.91Å
290	Q	62.8	Low	52.1	Low	7 Å²	7	63.2 Å²	63.2	3%	0.033	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66.9	-23.6	-179.5	-74.4	-163.7	1.4	0	0	113.7	L219 R223 P225 S284 D287 P288	L219-Q290 PolarHBondContact O-NE2 3.35Å; R223-Q290 WeakPolarHBondContact CB-O 3.46Å; P225-Q290 HydrophobicContact CG-CB 4.39Å; S284-Q290 PolarHBondContact O-NE2 2.84Å; D287-Q290 PolarHBondContact O-N 3.01Å; P288-Q290 VanDerWaalsContact C-N 3.28Å; P288-Q290 PolarHBondContact O-N 2.95Å
291	Y	59.7	Low	54.3	Low	109 Å²	109	54.8 Å²	54.8	43%	0.427	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-100	0.3	-177.8	-63.5	-86.7	0	0	0	112.8	P225 P288 K289	P225-Y291 HydrophobicContact CB-CD1 3.74Å; P225-Y291 HydrophobicContact CB-CE1 3.67Å; P225-Y291 HydrophobicContact CG-CD1 3.99Å; P225-Y291 HydrophobicContact CG-CE1 3.68Å; P288-Y291 PolarHBondContact O-N 3.22Å; K289-Y291 PolarHBondContact O-N 3.42Å
292	R	57.1	Low	56.5	Low	142 Å²	142	52.9 Å²	52.9	54%	0.536	26%	0.261	S	S	.	.	S	Bend	trans	-102.7	134.6	177.6	-73.7	-177	175.4	-175.9	-0.3	110.1	R223 K289	R223-R292 WeakPolarHBondContact CD-O 3.1Å; R223-R292 PolarHBondContact NE-O 2.79Å; R223-R292 PolarHBondContact NH1-O 3.24Å; K289-R292 PolarHBondContact O-N 2.91Å
293	P	55.8	Low	58.8	Low	27 Å²	27	49.3 Å²	49.3	18%	0.175	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-68.9	163.3	172.7	-15.3	28.7	0	0	0	112.7	R223 L226 L701	R223-P293 PolarHBondContact NH1-O 2.79Å; L226-P293 HydrophobicContact CD1-CB 4.27Å; L226-P293 HydrophobicContact CD1-CG 4.34Å; P293-L701 HydrophobicContact CB-CD2 3.55Å; P293-L701 HydrophobicContact CG-CB 3.81Å; P293-L701 HydrophobicContact CG-CD2 3.58Å; P293-L701 HydrophobicContact CG-CG 4.21Å
294	R	64.2	Low	61	Low	9 Å²	9	44 Å²	44	3%	0.034	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-73.6	152.6	-178.8	-68.8	-173.6	-165.1	-100.7	2.2	109.3	F182 S184 D185 I187 I189 E192 L221 R223 G296 T297	F182-R294 PolarHBondContact O-NH1 3.03Å; F182-R294 PolarHBondContact O-NH2 2.94Å; S184-R294 PolarHBondContact O-NH1 3.1Å; D185-R294 WeakPolarHBondContact O-CB 3.33Å; I187-R294 WeakPolarHBondContact O-CB 3.12Å; I189-R294 HydrophobicContact CD1-CB 4.45Å; I189-R294 HydrophobicContact CD1-CG 4.25Å; I189-R294 HydrophobicContact CG1-CB 4.31Å; E192-R294 IonicContact OE1-CZ 2.82Å; E192-R294 IonicContact OE1-NE 3.6Å; E192-R294 PolarHBondContact OE1-NE 2.83Å; E192-R294 IonicContact OE1-NH2 3.34Å; E192-R294 PolarHBondContact OE1-NH2 2.85Å; E192-R294 IonicContact OE2-CZ 3.53Å; E192-R294 IonicContact OE2-NE 3.36Å; E192-R294 PolarHBondContact OE2-NE 2.88Å; E192-R294 IonicContact OE2-NH2 2.82Å; L221-R294 PolarHBondContact O-NH2 2.99Å; R223-R294 VanDerWaalsContact CZ-CG 3.42Å; R294-G296 PolarHBondContact O-N 3.04Å; R294-T297 WeakPolarHBondContact O-CG2 3.21Å
295	V	53.2	Low	62.7	Low	32 Å²	32	43.7 Å²	43.7	19%	0.194	21%	0.209	C	C	.	.	S	Bend	trans	-54.5	-38.2	178.9	171.4	0	0	0	0	110.2	D185 T297 L355	D185-V295 HydrophobicContact CB-CG2 4Å; D185-V295 WeakPolarHBondContact O-CB 3.44Å; D185-V295 VanDerWaalsContact O-CG2 3.3Å; D185-V295 WeakPolarHBondContact O-CG2 3.5Å; D185-V295 PolarHBondContact O-N 2.97Å; V295-T297 VanDerWaalsContact C-N 3.3Å; V295-T297 PolarHBondContact O-N 2.96Å; V295-T297 PolarHBondContact O-OG1 3.03Å; V295-L355 HydrophobicContact CG1-CD2 3.74Å
296	G	49.7	Very low	64.2	Low	6 Å²	6	41.7 Å²	41.7	6%	0.062	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-80.1	94.5	178.7	0	0	0	0	0	108.7	I187 N188 I189 R294	I187-G296 VanDerWaalsContact O-CA 3.23Å; I187-G296 WeakPolarHBondContact O-CA 3.46Å; I187-G296 PolarHBondContact O-N 3.12Å; N188-G296 VanDerWaalsContact CA-CA 3.41Å; N188-G296 VanDerWaalsContact OD1-CA 3.27Å; N188-G296 WeakPolarHBondContact OD1-CA 3.46Å; I189-G296 CarbonylContact C-O 3.51Å; I189-G296 PolarHBondContact N-O 2.74Å; R294-G296 PolarHBondContact O-N 3.04Å
297	T	52.3	Low	65.2	Low	5 Å²	5	35.7 Å²	35.7	3%	0.031	17%	0.168	C	C	.	.			trans	-114.1	140.1	-169	23.3	0	0	0	0	106.3	N188 R294 V295 Y299 P699 Y700 L701	N188-T297 PolarHBondContact OD1-N 3.06Å; R294-T297 WeakPolarHBondContact O-CG2 3.21Å; V295-T297 VanDerWaalsContact C-N 3.3Å; V295-T297 PolarHBondContact O-N 2.96Å; V295-T297 PolarHBondContact O-OG1 3.03Å; T297-Y299 VanDerWaalsContact O-CD2 3.26Å; T297-Y299 WeakPolarHBondContact O-CD2 3.37Å; T297-Y299 PolarHBondContact O-N 3.49Å; T297-P699 HydrophobicContact CG2-CB 3.6Å; T297-P699 WeakPolarHBondContact OG1-CA 3.42Å; T297-P699 WeakPolarHBondContact OG1-CB 3.43Å; T297-P699 VanDerWaalsContact OG1-CG 3.25Å; T297-P699 WeakPolarHBondContact OG1-CG 3.49Å; T297-Y700 WeakPolarHBondContact CG2-O 3.33Å; T297-L701 HydrophobicContact CG2-CD2 3.44Å; T297-L701 VanDerWaalsContact CG2-CD2 3.44Å; T297-L701 HydrophobicContact CG2-CG 4.27Å
298	I	56.1	Low	65.5	Low	20 Å²	20	34.3 Å²	34.3	10%	0.103	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	115.7	161.3	-71.3	161.6	0	0	0	106.6	R300 E330 Y700	I298-R300 HydrophobicContact CG2-CG 4.2Å; I298-R300 PolarHBondContact O-N 2.89Å; I298-E330 WeakPolarHBondContact CD1-OE1 3.36Å; I298-E330 VanDerWaalsContact CG1-OE1 3.24Å; I298-E330 WeakPolarHBondContact CG1-OE1 3.26Å; I298-E330 HydrophobicContact CG2-CG 3.41Å; I298-E330 VanDerWaalsContact CG2-CG 3.41Å; I298-E330 WeakPolarHBondContact CG2-OE1 3.38Å; I298-Y700 WeakPolarHBondContact O-CA 3.27Å; I298-Y700 WeakPolarHBondContact O-CB 3.23Å; I298-Y700 PolarHBondContact O-N 2.87Å
299	Y	66.1	Low	65.3	Low	86 Å²	86	30.8 Å²	30.8	34%	0.337	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.9	175.3	-76.1	-76.8	0	0	0	108.2	T297 I697 P699	T297-Y299 VanDerWaalsContact O-CD2 3.26Å; T297-Y299 WeakPolarHBondContact O-CD2 3.37Å; T297-Y299 PolarHBondContact O-N 3.49Å; Y299-I697 HydrophobicContact CD1-CG2 3.64Å; Y299-I697 HydrophobicContact CG-CG2 3.9Å; Y299-P699 HydrophobicContact CD1-CG 4.34Å; Y299-P699 HydrophobicContact CE1-CG 3.83Å
300	R	75.3	Confident	64.7	Low	40 Å²	40	30.9 Å²	30.9	15%	0.151	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.4	172.9	-76.8	-175.9	-176.8	-177.7	2.8	109.9	I298 Y302 M327 Y328 I697 A698 Y700	I298-R300 HydrophobicContact CG2-CG 4.2Å; I298-R300 PolarHBondContact O-N 2.89Å; R300-Y302 HydrophobicContact CB-CD2 4.49Å; R300-Y302 HydrophobicContact CB-CE2 3.83Å; R300-Y302 WeakPolarHBondContact O-CD2 3.32Å; R300-Y302 WeakPolarHBondContact O-CE2 3.46Å; R300-M327 HydrophobicContact CB-CG 4.34Å; R300-M327 PolarHBondContact NH1-SD 2.96Å; R300-Y328 WeakPolarHBondContact CB-O 3.43Å; R300-Y328 WeakPolarHBondContact CD-O 3.4Å; R300-Y328 VanDerWaalsContact CG-O 3.24Å; R300-Y328 WeakPolarHBondContact CG-O 3.29Å; R300-I697 WeakPolarHBondContact O-CA 3.44Å; R300-A698 PolarHBondContact N-O 3.18Å; R300-A698 PolarHBondContact O-N 3.43Å; R300-Y700 HydrophobicContact CG-CG 4.27Å; R300-Y700 VanDerWaalsContact CZ-CD1 3.47Å; R300-Y700 VanDerWaalsContact CZ-CE2 3.5Å; R300-Y700 PolarHBondContact NH1-OH 3.47Å
301	V	82.8	Confident	63.7	Low	4 Å²	4	32.6 Å²	32.6	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.1	169	179.7	0	0	0	0	107.9	Y328 L332 F565 I574 Y695 I697	V301-Y328 HydrophobicContact CB-CD2 4.34Å; V301-Y328 HydrophobicContact CG1-CD2 4.2Å; V301-Y328 WeakPolarHBondContact O-CD2 3.5Å; V301-Y328 PolarHBondContact O-N 2.91Å; V301-L332 HydrophobicContact CB-CD2 3.81Å; V301-L332 HydrophobicContact CG2-CD2 3.65Å; V301-F565 HydrophobicContact CG2-CE1 3.87Å; V301-F565 HydrophobicContact CG2-CE2 3.77Å; V301-F565 HydrophobicContact CG2-CZ 3.39Å; V301-I574 HydrophobicContact CG1-CD1 3.83Å; V301-Y695 HydrophobicContact CG1-CD1 3.95Å; V301-I697 HydrophobicContact CG2-CG1 4.31Å
302	Y	85.1	Confident	62.6	Low	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.8	171.6	-60.3	-95.9	0	0	0	108.3	R300 F325 M326 M327 I358 L379 Y695 C696 A698 P699	R300-Y302 HydrophobicContact CB-CD2 4.49Å; R300-Y302 HydrophobicContact CB-CE2 3.83Å; R300-Y302 WeakPolarHBondContact O-CD2 3.32Å; R300-Y302 WeakPolarHBondContact O-CE2 3.46Å; Y302-F325 AromaticContact CD1-CE1 3.46Å; Y302-F325 HydrophobicContact CD1-CE1 3.46Å; Y302-F325 VanDerWaalsContact CD1-CE1 3.46Å; Y302-F325 HydrophobicContact CD1-CE2 4.28Å; Y302-F325 AromaticContact CD1-CZ 3.29Å; Y302-F325 HydrophobicContact CD1-CZ 3.29Å; Y302-F325 HydrophobicContact CE1-CE1 4Å; Y302-F325 HydrophobicContact CE1-CZ 4Å; Y302-F325 HydrophobicContact CG-CE1 4.43Å; Y302-F325 AromaticContact CG-CZ 3.89Å; Y302-F325 HydrophobicContact CG-CZ 3.89Å; Y302-M326 CarbonylContact C-O 3.45Å; Y302-M326 WeakPolarHBondContact CA-O 3.47Å; Y302-M327 HydrophobicContact CD1-CB 3.72Å; Y302-M327 HydrophobicContact CD1-CG 3.91Å; Y302-M327 HydrophobicContact CE1-CB 3.65Å; Y302-M327 HydrophobicContact CE1-CG 3.42Å; Y302-M327 VanDerWaalsContact CE1-CG 3.42Å; Y302-M327 HydrophobicContact CE1-SD 3.85Å; Y302-I358 HydrophobicContact CD1-CD1 3.86Å; Y302-I358 HydrophobicContact CD2-CD1 3.6Å; Y302-I358 HydrophobicContact CE1-CD1 4.22Å; Y302-I358 HydrophobicContact CE2-CD1 4.02Å; Y302-I358 HydrophobicContact CG-CD1 3.5Å; Y302-L379 HydrophobicContact CE1-CD2 4.19Å; Y302-L379 HydrophobicContact CE2-CD2 4.22Å; Y302-Y695 CarbonylContact O-C 3.58Å; Y302-Y695 WeakPolarHBondContact O-CA 3.36Å; Y302-Y695 WeakPolarHBondContact O-CB 3.24Å; Y302-C696 PolarHBondContact N-O 3.43Å; Y302-C696 PolarHBondContact O-N 3.21Å; Y302-A698 HydrophobicContact CD2-CB 3.83Å; Y302-A698 HydrophobicContact CE2-CB 3.61Å; Y302-P699 PolarHBondContact OH-O 3.43Å
303	G	85.2	Confident	61.4	Low	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.6	176.4	0	0	0	0	0	110.4	F325 M326	G303-F325 CarbonylContact O-C 3.57Å; G303-F325 WeakPolarHBondContact O-CA 3.48Å; G303-M326 PolarHBondContact N-O 3.16Å; G303-M326 PolarHBondContact O-N 3.18Å
304	L	84.6	Confident	60.3	Low	8 Å²	8	36.9 Å²	36.9	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.1	-175.6	-67.7	97	0	0	0	111.8	F325 V351 I358 V360 W384 A693 V694	L304-F325 HydrophobicContact CD1-CD2 3.94Å; L304-F325 HydrophobicContact CD1-CE2 3.85Å; L304-F325 HydrophobicContact CD2-CD2 3.4Å; L304-F325 VanDerWaalsContact CD2-CD2 3.4Å; L304-F325 HydrophobicContact CD2-CE2 3.8Å; L304-F325 HydrophobicContact CG-CD2 3.4Å; L304-F325 HydrophobicContact CG-CE2 3.84Å; L304-F325 HydrophobicContact CG-CG 4.45Å; L304-V351 HydrophobicContact CB-CG2 4.3Å; L304-V351 HydrophobicContact CD1-CG1 3.78Å; L304-V351 HydrophobicContact CD1-CG2 4.17Å; L304-V351 HydrophobicContact CD2-CG2 4.41Å; L304-I358 HydrophobicContact CD1-CG2 4.38Å; L304-V360 HydrophobicContact CD2-CG2 3.34Å; L304-W384 HydrophobicContact CD2-CH2 3.78Å; L304-W384 HydrophobicContact CD2-CZ2 4.35Å; L304-A693 WeakPolarHBondContact O-CA 3.27Å; L304-V694 PolarHBondContact N-O 3.35Å; L304-V694 PolarHBondContact O-N 2.9Å
305	G	76.4	Confident	59	Low	5 Å²	5	42 Å²	42	5%	0.052	24%	0.244	C	C	.	.			trans	61.2	-139.5	168.1	0	0	0	0	0	114.5	S322 E324	G305-S322 WeakPolarHBondContact CA-O 3.25Å; G305-E324 PolarHBondContact N-O 3.39Å
306	G	74.5	Confident	58	Low	0 Å²	0	43 Å²	43	0%	0	26%	0.256	C	S	.	.			trans	89	171.6	-172.5	0	0	0	0	0	113.2	S322 C691	G306-S322 PolarHBondContact O-N 3.01Å; G306-C691 CarbonylContact C-O 3.49Å; G306-C691 WeakPolarHBondContact CA-O 3.39Å
307	E	68.1	Low	57.5	Low	4 Å²	4	46.8 Å²	46.8	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.6	-177.8	-168.2	179	-174.3	0	0	110.7	G319 Q321 V347 P633 R690 C691	E307-G319 VanDerWaalsContact OE1-CA 3.3Å; E307-G319 WeakPolarHBondContact OE1-CA 3.39Å; E307-Q321 HydrophobicContact CB-CG 4.33Å; E307-Q321 HydrophobicContact CG-CG 4.16Å; E307-V347 HydrophobicContact CB-CG1 4.43Å; E307-P633 HydrophobicContact CG-CB 3.93Å; E307-P633 WeakPolarHBondContact OE1-CB 3.45Å; E307-P633 WeakPolarHBondContact OE2-CB 3.24Å; E307-R690 WeakPolarHBondContact O-CB 3.16Å; E307-C691 PolarHBondContact N-O 3.09Å; E307-C691 PolarHBondContact O-N 2.83Å; E307-C691 PolarHBondContact O-SG 2.96Å; E307-C691 VanDerWaalsContact O-SG 3.39Å
308	S	58.3	Low	56.8	Low	28 Å²	28	55 Å²	55	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.5	177.7	67	0	0	0	0	110.9	F310 L320	S308-F310 PolarHBondContact O-N 2.77Å; S308-L320 PolarHBondContact N-O 2.75Å; S308-L320 PolarHBondContact OG-O 2.86Å
309	G	50.2	Low	56.3	Low	12 Å²	12	55 Å²	55	12%	0.124	32%	0.317	C	S	.	.			trans	-82.3	15.1	176.3	0	0	0	0	0	114.6
310	F	42.1	Very low	55.7	Low	103 Å²	103	54.9 Å²	54.9	45%	0.452	32%	0.322	S	S	.	.			trans	-101.2	107.9	-172.4	-144.7	-84.8	0	0	0	110.4	S308 N312 H624	S308-F310 PolarHBondContact O-N 2.77Å; F310-N312 WeakPolarHBondContact CE1-OD1 3.01Å; F310-H624 AromaticContact CD2-CD2 3.67Å; F310-H624 AromaticContact CD2-NE2 3.54Å; F310-H624 AromaticContact CE2-CD2 3.4Å; F310-H624 VanDerWaalsContact CE2-CD2 3.4Å; F310-H624 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H624 AromaticContact CE2-NE2 3.81Å
311	N	41.6	Very low	54.8	Low	43 Å²	43	53.4 Å²	53.4	23%	0.23	32%	0.317	C	S	.	.			trans	-128.9	108.1	168.1	-154.9	-4.6	0	0	0	109.8	N313 A316 I631	N311-N313 PolarHBondContact O-N 2.74Å; N311-N313 PolarHBondContact OD1-N 3.07Å; N311-A316 PolarHBondContact ND2-O 3.38Å; N311-I631 HydrophobicContact CB-CD1 4.28Å
312	N	35.2	Very low	53.6	Low	137 Å²	137	53.8 Å²	53.8	73%	0.733	32%	0.32	S	S	*	.	S	Bend	trans	-75.8	-4.2	175.6	-86.5	-7.8	0	0	0	113.1	F310	F310-N312 WeakPolarHBondContact CE1-OD1 3.01Å
313	N	32.5	Very low	52.6	Low	120 Å²	120	56.3 Å²	56.3	64%	0.642	33%	0.333	S	S	*	.	S	Bend	trans	-116.8	112	-178.2	-68.9	-21.3	0	0	0	110.1	N311 S315	N311-N313 PolarHBondContact O-N 2.74Å; N311-N313 PolarHBondContact OD1-N 3.07Å; N313-S315 PolarHBondContact O-N 3.34Å
314	A	33	Very low	51.8	Low	111 Å²	111	57.6 Å²	57.6	92%	0.917	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	25.1	-177.5	0	0	0	0	0	115.8
315	S	35.9	Very low	51.5	Low	116 Å²	116	57.3 Å²	57.3	81%	0.811	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	3.1	-169.8	-171.9	0	0	0	0	115.9	N313	N313-S315 PolarHBondContact O-N 3.34Å
316	A	33.8	Very low	51.8	Low	54 Å²	54	57 Å²	57	45%	0.446	34%	0.335	S	S	.	.			trans	-140.7	114.1	173.5	0	0	0	0	0	111.7	N311 Y318	N311-A316 PolarHBondContact ND2-O 3.38Å; A316-Y318 PolarHBondContact O-N 2.84Å; A316-Y318 VanDerWaalsContact O-N 3.13Å
317	S	37.4	Very low	52.2	Low	86 Å²	86	57.2 Å²	57.2	60%	0.601	34%	0.336	S	S	*	.			trans	-80.7	31.8	-175.6	-55.6	0	0	0	0	114.5	N634	S317-N634 PolarHBondContact O-ND2 2.68Å
318	Y	38.2	Very low	52.8	Low	178 Å²	178	57.8 Å²	57.8	70%	0.698	34%	0.338	S	S	*	.	S	Bend	trans	-115.7	125.4	178.3	-58.9	-74	0	0	0	109	A316 L320	A316-Y318 PolarHBondContact O-N 2.84Å; A316-Y318 VanDerWaalsContact O-N 3.13Å; Y318-L320 PolarHBondContact O-N 3.34Å
319	G	46.3	Very low	53.4	Low	18 Å²	18	58.2 Å²	58.2	19%	0.186	34%	0.338	C	S	.	.			trans	-63.9	126.9	174.2	0	0	0	0	0	108.4	E307 Q321	E307-G319 VanDerWaalsContact OE1-CA 3.3Å; E307-G319 WeakPolarHBondContact OE1-CA 3.39Å; G319-Q321 PolarHBondContact O-N 3.49Å
320	L	52.3	Low	54.2	Low	85 Å²	85	61 Å²	61	45%	0.445	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	100.2	-178	-80	133.1	0	0	0	107.5	S308 Y318	S308-L320 PolarHBondContact N-O 2.75Å; S308-L320 PolarHBondContact OG-O 2.86Å; Y318-L320 PolarHBondContact O-N 3.34Å
321	Q	58	Low	55.4	Low	8 Å²	8	61.6 Å²	61.6	4%	0.037	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	147	165	-60.5	179.5	2.8	0	0	107.9	E307 G319 S345 V347 S365 E366	E307-Q321 HydrophobicContact CB-CG 4.33Å; E307-Q321 HydrophobicContact CG-CG 4.16Å; G319-Q321 PolarHBondContact O-N 3.49Å; Q321-S345 VanDerWaalsContact CB-CB 3.42Å; Q321-S345 WeakPolarHBondContact O-CB 3.41Å; Q321-S345 PolarHBondContact O-OG 3.04Å; Q321-S345 PolarHBondContact OE1-O 2.89Å; Q321-V347 HydrophobicContact CG-CG1 4.25Å; Q321-S365 PolarHBondContact NE2-O 2.94Å; Q321-S365 VanDerWaalsContact NE2-O 3.08Å; Q321-S365 VanDerWaalsContact OE1-C 3.25Å; Q321-E366 HydrophobicContact CB-CG 3.57Å; Q321-E366 HydrophobicContact CG-CG 3.69Å; Q321-E366 VanDerWaalsContact OE1-N 3.1Å
322	S	57.2	Low	57	Low	12 Å²	12	60.2 Å²	60.2	8%	0.084	35%	0.349	C	S	.	.			trans	-114.5	143.2	-174.8	-168.9	0	0	0	0	110.7	G305 G306 E324 R690	G305-S322 WeakPolarHBondContact CA-O 3.25Å; G306-S322 PolarHBondContact O-N 3.01Å; S322-E324 VanDerWaalsContact C-N 3.32Å; S322-E324 VanDerWaalsContact OG-CB 3.29Å; S322-E324 WeakPolarHBondContact OG-CB 3.38Å; S322-E324 WeakPolarHBondContact OG-CG 3.41Å; S322-E324 PolarHBondContact OG-N 2.99Å; S322-E324 VanDerWaalsContact OG-N 3.16Å; S322-R690 PolarHBondContact OG-NH1 3.25Å
323	N	62.7	Low	58.9	Low	54 Å²	54	55.3 Å²	55.3	29%	0.289	33%	0.325	S	S	.	.			trans	-95.5	13.6	166	65.3	-6.7	0	0	0	112.2	P340 A343	N323-P340 WeakPolarHBondContact O-CD 3.39Å; N323-P340 WeakPolarHBondContact O-CG 3.26Å; N323-A343 HydrophobicContact CB-CB 4.38Å; N323-A343 VanDerWaalsContact CB-O 3.24Å; N323-A343 WeakPolarHBondContact CB-O 3.38Å; N323-A343 PolarHBondContact ND2-O 3.14Å
324	E	70.2	Confident	60.9	Low	28 Å²	28	52.5 Å²	52.5	13%	0.131	31%	0.312	C	S	.	.			trans	-67.8	135.5	-177.1	-74.3	-177.5	-173.7	0	0	112.7	G305 S322 K337 R690	G305-E324 PolarHBondContact N-O 3.39Å; S322-E324 VanDerWaalsContact C-N 3.32Å; S322-E324 VanDerWaalsContact OG-CB 3.29Å; S322-E324 WeakPolarHBondContact OG-CB 3.38Å; S322-E324 WeakPolarHBondContact OG-CG 3.41Å; S322-E324 PolarHBondContact OG-N 2.99Å; S322-E324 VanDerWaalsContact OG-N 3.16Å; E324-K337 VanDerWaalsContact CD-NZ 3.28Å; E324-K337 HydrophobicContact CG-CD 3.91Å; E324-K337 HydrophobicContact CG-CG 4.45Å; E324-K337 IonicContact OE1-NZ 3.29Å; E324-K337 PolarHBondContact OE1-NZ 3.11Å; E324-R690 IonicContact OE1-NH2 3.73Å; E324-R690 PolarHBondContact OE1-NH2 2.8Å; E324-R690 IonicContact OE2-CZ 2.8Å; E324-R690 IonicContact OE2-NH1 2.98Å; E324-R690 PolarHBondContact OE2-NH1 3.47Å; E324-R690 IonicContact OE2-NH2 3.94Å; E324-R690 PolarHBondContact OE2-NH2 2.94Å
325	F	78	Confident	63.2	Low	1 Å²	1	47.2 Å²	47.2	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.9	171.5	176.9	-87.2	0	0	0	108.3	Y302 G303 L304 Y338 I358 F377 W384	Y302-F325 AromaticContact CD1-CE1 3.46Å; Y302-F325 HydrophobicContact CD1-CE1 3.46Å; Y302-F325 VanDerWaalsContact CD1-CE1 3.46Å; Y302-F325 HydrophobicContact CD1-CE2 4.28Å; Y302-F325 AromaticContact CD1-CZ 3.29Å; Y302-F325 HydrophobicContact CD1-CZ 3.29Å; Y302-F325 HydrophobicContact CE1-CE1 4Å; Y302-F325 HydrophobicContact CE1-CZ 4Å; Y302-F325 HydrophobicContact CG-CE1 4.43Å; Y302-F325 AromaticContact CG-CZ 3.89Å; Y302-F325 HydrophobicContact CG-CZ 3.89Å; G303-F325 CarbonylContact O-C 3.57Å; G303-F325 WeakPolarHBondContact O-CA 3.48Å; L304-F325 HydrophobicContact CD1-CD2 3.94Å; L304-F325 HydrophobicContact CD1-CE2 3.85Å; L304-F325 HydrophobicContact CD2-CD2 3.4Å; L304-F325 VanDerWaalsContact CD2-CD2 3.4Å; L304-F325 HydrophobicContact CD2-CE2 3.8Å; L304-F325 HydrophobicContact CG-CD2 3.4Å; L304-F325 HydrophobicContact CG-CE2 3.84Å; L304-F325 HydrophobicContact CG-CG 4.45Å; F325-Y338 CarbonylContact C-O 3.6Å; F325-Y338 WeakPolarHBondContact CA-O 3.18Å; F325-Y338 VanDerWaalsContact CB-O 3.28Å; F325-Y338 WeakPolarHBondContact CB-O 3.38Å; F325-Y338 HydrophobicContact CD1-CD2 4.03Å; F325-Y338 HydrophobicContact CD1-CG 4.3Å; F325-Y338 HydrophobicContact CE1-CD2 4.27Å; F325-Y338 PolarHBondContact N-O 3.02Å; F325-Y338 PolarHBondContact O-N 2.86Å; F325-I358 HydrophobicContact CE2-CD1 3.92Å; F325-I358 HydrophobicContact CE2-CG2 4.17Å; F325-I358 HydrophobicContact CZ-CD1 3.56Å; F325-F377 AromaticContact CE1-CD1 3.87Å; F325-F377 HydrophobicContact CE1-CD1 3.87Å; F325-F377 AromaticContact CE1-CE1 3.66Å; F325-F377 HydrophobicContact CE1-CE1 3.66Å; F325-F377 HydrophobicContact CE1-CG 4.42Å; F325-F377 HydrophobicContact CE1-CZ 4.04Å; F325-F377 HydrophobicContact CE2-CD1 4.38Å; F325-F377 AromaticContact CZ-CD1 3.59Å; F325-F377 HydrophobicContact CZ-CD1 3.59Å; F325-F377 AromaticContact CZ-CE1 3.85Å; F325-F377 HydrophobicContact CZ-CE1 3.85Å; F325-F377 HydrophobicContact CZ-CG 4.15Å; F325-W384 HydrophobicContact CB-CZ2 3.96Å; F325-W384 AromaticContact CD2-CH2 3.92Å; F325-W384 HydrophobicContact CD2-CH2 3.92Å; F325-W384 AromaticContact CD2-CZ2 3.39Å; F325-W384 HydrophobicContact CD2-CZ2 3.39Å; F325-W384 HydrophobicContact CE2-CH2 4.27Å; F325-W384 AromaticContact CE2-CZ2 3.96Å; F325-W384 HydrophobicContact CE2-CZ2 3.96Å; F325-W384 AromaticContact CG-CZ2 3.77Å; F325-W384 HydrophobicContact CG-CZ2 3.77Å
326	M	82.5	Confident	65.3	Low	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.2	-178.4	-64.5	-178.7	-69.9	0	0	109.9	Y302 G303 Y328 T336 Y681 V687	Y302-M326 CarbonylContact C-O 3.45Å; Y302-M326 WeakPolarHBondContact CA-O 3.47Å; G303-M326 PolarHBondContact N-O 3.16Å; G303-M326 PolarHBondContact O-N 3.18Å; M326-Y328 HydrophobicContact CB-CE2 4.03Å; M326-T336 CarbonylContact C-O 3.53Å; M326-T336 WeakPolarHBondContact CA-O 3.32Å; M326-Y681 HydrophobicContact SD-CE1 4.39Å; M326-V687 HydrophobicContact SD-CG1 3.85Å
327	M	82.1	Confident	67.4	Low	4 Å²	4	46.4 Å²	46.4	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.7	168.7	176.4	-174.4	67.2	0	0	108.3	R300 Y302 A335 T336 Y338 Y700	R300-M327 HydrophobicContact CB-CG 4.34Å; R300-M327 PolarHBondContact NH1-SD 2.96Å; Y302-M327 HydrophobicContact CD1-CB 3.72Å; Y302-M327 HydrophobicContact CD1-CG 3.91Å; Y302-M327 HydrophobicContact CE1-CB 3.65Å; Y302-M327 HydrophobicContact CE1-CG 3.42Å; Y302-M327 VanDerWaalsContact CE1-CG 3.42Å; Y302-M327 HydrophobicContact CE1-SD 3.85Å; M327-A335 CarbonylContact O-C 3.58Å; M327-A335 WeakPolarHBondContact O-CA 3.44Å; M327-T336 HydrophobicContact CE-CG2 4.4Å; M327-T336 PolarHBondContact N-O 3.03Å; M327-T336 PolarHBondContact O-N 3.1Å; M327-Y338 HydrophobicContact CB-CD2 4.41Å; M327-Y338 HydrophobicContact CB-CE2 4.01Å; M327-Y338 HydrophobicContact CE-CE2 3.94Å; M327-Y338 HydrophobicContact SD-CE2 4.33Å; M327-Y700 HydrophobicContact CE-CE2 4.08Å; M327-Y700 HydrophobicContact SD-CD2 3.7Å; M327-Y700 HydrophobicContact SD-CE2 3.62Å
328	Y	80.2	Confident	69.2	Low	15 Å²	15	44.9 Å²	44.9	6%	0.059	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150	175	-65.4	-97.6	0	0	0	110.5	R300 V301 M326 L332 V334 A335 A679 V687 Y695	R300-Y328 WeakPolarHBondContact CB-O 3.43Å; R300-Y328 WeakPolarHBondContact CD-O 3.4Å; R300-Y328 VanDerWaalsContact CG-O 3.24Å; R300-Y328 WeakPolarHBondContact CG-O 3.29Å; V301-Y328 HydrophobicContact CB-CD2 4.34Å; V301-Y328 HydrophobicContact CG1-CD2 4.2Å; V301-Y328 WeakPolarHBondContact O-CD2 3.5Å; V301-Y328 PolarHBondContact O-N 2.91Å; M326-Y328 HydrophobicContact CB-CE2 4.03Å; Y328-L332 HydrophobicContact CD1-CD2 4.47Å; Y328-L332 HydrophobicContact CG-CD2 4.19Å; Y328-V334 CarbonylContact C-O 3.48Å; Y328-V334 WeakPolarHBondContact CA-O 3.45Å; Y328-A335 HydrophobicContact CD1-CB 4.07Å; Y328-A335 HydrophobicContact CE1-CB 3.99Å; Y328-A679 HydrophobicContact CD1-CB 4.11Å; Y328-A679 HydrophobicContact CE1-CB 3.74Å; Y328-V687 HydrophobicContact CE1-CG1 4.49Å; Y328-Y695 HydrophobicContact CE2-CD1 4.33Å; Y328-Y695 AromaticContact CE2-CE1 3.89Å; Y328-Y695 HydrophobicContact CE2-CE1 3.89Å
329	N	71	Confident	70.7	Confident	37 Å²	37	39.9 Å²	39.9	20%	0.198	22%	0.215	C	C	.	.			trans	-71.1	176.1	164.6	66.8	-16.9	0	0	0	111.3	D331 L332 S333 V334	N329-D331 PolarHBondContact O-N 3.29Å; N329-L332 PolarHBondContact O-N 3.03Å; N329-L332 VanDerWaalsContact O-N 3.11Å; N329-L332 VanDerWaalsContact OD1-C 3.28Å; N329-L332 WeakPolarHBondContact OD1-CA 3.33Å; N329-L332 PolarHBondContact OD1-N 3.45Å; N329-L332 VanDerWaalsContact OD1-N 3.13Å; N329-S333 PolarHBondContact ND2-OG 2.77Å; N329-S333 PolarHBondContact OD1-N 2.68Å; N329-V334 HydrophobicContact CB-CB 4.46Å; N329-V334 PolarHBondContact N-O 3.34Å; N329-V334 PolarHBondContact ND2-N 3.16Å; N329-V334 PolarHBondContact OD1-N 2.73Å; N329-V334 PolarHBondContact OD1-O 2.86Å
330	E	67.1	Low	71.6	Confident	70 Å²	70	39.5 Å²	39.5	33%	0.327	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-45.5	-177.7	-71.3	175.2	-146.8	0	0	112.8	I298 L332	I298-E330 WeakPolarHBondContact CD1-OE1 3.36Å; I298-E330 VanDerWaalsContact CG1-OE1 3.24Å; I298-E330 WeakPolarHBondContact CG1-OE1 3.26Å; I298-E330 HydrophobicContact CG2-CG 3.41Å; I298-E330 VanDerWaalsContact CG2-CG 3.41Å; I298-E330 WeakPolarHBondContact CG2-OE1 3.38Å; E330-L332 PolarHBondContact O-N 3.3Å
331	D	68.8	Low	71.8	Confident	116 Å²	116	39.3 Å²	39.3	62%	0.62	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	2.5	-178.9	-56.3	-36.9	0	0	0	113.6	N329 S333	N329-D331 PolarHBondContact O-N 3.29Å; D331-S333 PolarHBondContact O-N 3.19Å; D331-S333 VanDerWaalsContact O-N 3.07Å
332	L	75	Confident	71.8	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.073	25%	0.253	C	S	.	.	S	Bend	trans	58.4	14	-174.3	-50.6	169.7	0	0	0	114.7	V301 Y328 N329 E330 F565 Y572 I574 A679	V301-L332 HydrophobicContact CB-CD2 3.81Å; V301-L332 HydrophobicContact CG2-CD2 3.65Å; Y328-L332 HydrophobicContact CD1-CD2 4.47Å; Y328-L332 HydrophobicContact CG-CD2 4.19Å; N329-L332 PolarHBondContact O-N 3.03Å; N329-L332 VanDerWaalsContact O-N 3.11Å; N329-L332 VanDerWaalsContact OD1-C 3.28Å; N329-L332 WeakPolarHBondContact OD1-CA 3.33Å; N329-L332 PolarHBondContact OD1-N 3.45Å; N329-L332 VanDerWaalsContact OD1-N 3.13Å; E330-L332 PolarHBondContact O-N 3.3Å; L332-F565 HydrophobicContact CD1-CZ 3.9Å; L332-F565 HydrophobicContact CD2-CZ 4.35Å; L332-Y572 HydrophobicContact CD1-CD1 3.56Å; L332-Y572 HydrophobicContact CD1-CE1 3.76Å; L332-Y572 HydrophobicContact CD1-CG 4.1Å; L332-I574 HydrophobicContact CD1-CG2 4.33Å; L332-A679 WeakPolarHBondContact O-CB 3.42Å
333	S	74	Confident	72.1	Confident	34 Å²	34	50 Å²	50	24%	0.238	26%	0.257	C	S	.	.			trans	-82.8	-22.3	-178	61.2	0	0	0	0	113.9	N329 D331 A679 R680	N329-S333 PolarHBondContact ND2-OG 2.77Å; N329-S333 PolarHBondContact OD1-N 2.68Å; D331-S333 PolarHBondContact O-N 3.19Å; D331-S333 VanDerWaalsContact O-N 3.07Å; S333-A679 CarbonylContact O-C 3.5Å; S333-A679 WeakPolarHBondContact O-CA 3.3Å; S333-R680 PolarHBondContact O-N 3.24Å
334	V	76.2	Confident	72.2	Confident	61 Å²	61	50.2 Å²	50.2	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.9	-178.9	-178.2	0	0	0	0	110.5	Y328 N329 R680	Y328-V334 CarbonylContact C-O 3.48Å; Y328-V334 WeakPolarHBondContact CA-O 3.45Å; N329-V334 HydrophobicContact CB-CB 4.46Å; N329-V334 PolarHBondContact N-O 3.34Å; N329-V334 PolarHBondContact ND2-N 3.16Å; N329-V334 PolarHBondContact OD1-N 2.73Å; N329-V334 PolarHBondContact OD1-O 2.86Å; V334-R680 CarbonylContact C-O 3.55Å; V334-R680 VanDerWaalsContact CA-O 3.22Å; V334-R680 WeakPolarHBondContact CA-O 3.31Å
335	A	80.5	Confident	72.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	174	0	0	0	0	0	111.9	M327 Y328 R680 Y681 V687	M327-A335 CarbonylContact O-C 3.58Å; M327-A335 WeakPolarHBondContact O-CA 3.44Å; Y328-A335 HydrophobicContact CD1-CB 4.07Å; Y328-A335 HydrophobicContact CE1-CB 3.99Å; A335-R680 PolarHBondContact N-O 3.31Å; A335-Y681 HydrophobicContact CB-CD1 4.38Å; A335-Y681 HydrophobicContact CB-CE1 4.4Å; A335-V687 HydrophobicContact CB-CG1 4.42Å; A335-V687 HydrophobicContact CB-CG2 3.62Å
336	T	79.5	Confident	72.7	Confident	57 Å²	57	50.6 Å²	50.6	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.6	173.2	-51.9	0	0	0	0	109.3	M326 M327 Y338	M326-T336 CarbonylContact C-O 3.53Å; M326-T336 WeakPolarHBondContact CA-O 3.32Å; M327-T336 HydrophobicContact CE-CG2 4.4Å; M327-T336 PolarHBondContact N-O 3.03Å; M327-T336 PolarHBondContact O-N 3.1Å; T336-Y338 HydrophobicContact CG2-CE2 3.9Å
337	K	78.7	Confident	72.8	Confident	95 Å²	95	50.7 Å²	50.7	41%	0.413	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.6	-178.6	175.6	175.8	159.2	170	0	111.1	E324 T339	E324-K337 VanDerWaalsContact CD-NZ 3.28Å; E324-K337 HydrophobicContact CG-CD 3.91Å; E324-K337 HydrophobicContact CG-CG 4.45Å; E324-K337 IonicContact OE1-NZ 3.29Å; E324-K337 PolarHBondContact OE1-NZ 3.11Å; K337-T339 WeakPolarHBondContact CE-OG1 3.45Å
338	Y	75.1	Confident	73.1	Confident	55 Å²	55	51.7 Å²	51.7	22%	0.216	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.5	161	-55.1	-97.3	0	0	0	107.7	F325 M327 T336 F377 L382	F325-Y338 CarbonylContact C-O 3.6Å; F325-Y338 WeakPolarHBondContact CA-O 3.18Å; F325-Y338 VanDerWaalsContact CB-O 3.28Å; F325-Y338 WeakPolarHBondContact CB-O 3.38Å; F325-Y338 HydrophobicContact CD1-CD2 4.03Å; F325-Y338 HydrophobicContact CD1-CG 4.3Å; F325-Y338 HydrophobicContact CE1-CD2 4.27Å; F325-Y338 PolarHBondContact N-O 3.02Å; F325-Y338 PolarHBondContact O-N 2.86Å; M327-Y338 HydrophobicContact CB-CD2 4.41Å; M327-Y338 HydrophobicContact CB-CE2 4.01Å; M327-Y338 HydrophobicContact CE-CE2 3.94Å; M327-Y338 HydrophobicContact SD-CE2 4.33Å; T336-Y338 HydrophobicContact CG2-CE2 3.9Å; Y338-F377 HydrophobicContact CD1-CZ 4.45Å; Y338-F377 HydrophobicContact CG-CZ 4.42Å; Y338-L382 HydrophobicContact CE1-CB 4.29Å; Y338-L382 HydrophobicContact CE1-CD1 4.08Å
339	T	69.5	Low	73.6	Confident	72 Å²	72	51.4 Å²	51.4	44%	0.442	27%	0.274	S	S	.	.			trans	-119.2	123.3	-179.5	-27.2	0	0	0	0	107.2	K337 P341	K337-T339 WeakPolarHBondContact CE-OG1 3.45Å; T339-P341 WeakPolarHBondContact O-CD 3.38Å
340	P	65.9	Low	74.5	Confident	11 Å²	11	49.8 Å²	49.8	7%	0.071	27%	0.266	C	S	.	.			trans	-64.8	126.7	176.5	-7.7	19.8	0	0	0	109.1	N323 Y342 A343 W384	N323-P340 WeakPolarHBondContact O-CD 3.39Å; N323-P340 WeakPolarHBondContact O-CG 3.26Å; P340-Y342 PolarHBondContact O-N 2.9Å; P340-A343 HydrophobicContact CB-CB 3.54Å; P340-A343 HydrophobicContact CG-CB 3.75Å; P340-W384 VanDerWaalsContact CA-CD1 3.43Å; P340-W384 HydrophobicContact CB-CD2 3.82Å; P340-W384 HydrophobicContact CB-CG 3.76Å; P340-W384 HydrophobicContact CB-CZ2 4.42Å; P340-W384 HydrophobicContact CG-CD2 4.18Å; P340-W384 HydrophobicContact CG-CZ2 3.86Å
341	P	55.7	Low	75.7	Confident	80 Å²	80	47.2 Å²	47.2	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	123	165.9	28.3	-30.3	0	0	0	107	T339	T339-P341 WeakPolarHBondContact O-CD 3.38Å
342	Y	57.6	Low	76.9	Confident	227 Å²	227	42.1 Å²	42.1	89%	0.89	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	6.3	174.3	-38.4	-72	0	0	0	118.6	P340 A344	P340-Y342 PolarHBondContact O-N 2.9Å; Y342-A344 PolarHBondContact O-N 3.13Å
343	A	63.6	Low	77.5	Confident	18 Å²	18	42.7 Å²	42.7	15%	0.149	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-78.5	119.4	170.4	0	0	0	0	0	110.5	N323 P340	N323-A343 HydrophobicContact CB-CB 4.38Å; N323-A343 VanDerWaalsContact CB-O 3.24Å; N323-A343 WeakPolarHBondContact CB-O 3.38Å; N323-A343 PolarHBondContact ND2-O 3.14Å; P340-A343 HydrophobicContact CB-CB 3.54Å; P340-A343 HydrophobicContact CG-CB 3.75Å
344	A	65.3	Low	77.8	Confident	59 Å²	59	42.1 Å²	42.1	49%	0.488	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-64.3	139.3	165.4	0	0	0	0	0	109.8	Y342 R346	Y342-A344 PolarHBondContact O-N 3.13Å; A344-R346 PolarHBondContact O-NE 3.11Å
345	S	75.5	Confident	77.5	Confident	21 Å²	21	43.1 Å²	43.1	15%	0.147	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-54	139.9	171.4	-54.5	0	0	0	0	110.7	Q321 E366	Q321-S345 VanDerWaalsContact CB-CB 3.42Å; Q321-S345 WeakPolarHBondContact O-CB 3.41Å; Q321-S345 PolarHBondContact O-OG 3.04Å; Q321-S345 PolarHBondContact OE1-O 2.89Å; S345-E366 WeakPolarHBondContact CB-OE1 3.28Å; S345-E366 PolarHBondContact OG-OE1 3.12Å
346	R	82.8	Confident	77.2	Confident	16 Å²	16	45.3 Å²	45.3	6%	0.06	25%	0.246	C	C	.	.			trans	-155.7	156.9	-176	66	-175.3	69.5	-159.2	-0.5	113.8	A344 H349 G362 E364 L371 H373	A344-R346 PolarHBondContact O-NE 3.11Å; R346-H349 HydrophobicContact CG-CB 4.22Å; R346-G362 WeakPolarHBondContact CD-O 3.32Å; R346-G362 PolarHBondContact NH1-O 2.71Å; R346-E364 CarbonylContact C-O 3.59Å; R346-E364 WeakPolarHBondContact CA-O 3.49Å; R346-E364 VanDerWaalsContact CB-O 3.26Å; R346-E364 WeakPolarHBondContact CB-O 3.47Å; R346-L371 HydrophobicContact CB-CD1 3.98Å; R346-H373 PolarHBondContact NH1-O 3.18Å; R346-H373 PolarHBondContact NH2-CD2 2.91Å; R346-H373 VanDerWaalsContact NH2-CD2 3.28Å
347	V	85.4	Confident	77.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-123.6	171.2	170.9	-64	0	0	0	0	110.8	E307 Q321 H349 G363 E364 Y692	E307-V347 HydrophobicContact CB-CG1 4.43Å; Q321-V347 HydrophobicContact CG-CG1 4.25Å; V347-H349 PolarHBondContact O-N 3.19Å; V347-G363 CarbonylContact O-C 3.56Å; V347-G363 VanDerWaalsContact O-CA 3.23Å; V347-G363 WeakPolarHBondContact O-CA 3.32Å; V347-E364 HydrophobicContact CG2-CB 4.1Å; V347-E364 PolarHBondContact N-O 2.92Å; V347-E364 PolarHBondContact O-N 3.46Å; V347-Y692 HydrophobicContact CB-CG 4.4Å; V347-Y692 HydrophobicContact CG1-CD2 4.24Å; V347-Y692 HydrophobicContact CG1-CG 4.4Å
348	H	87.2	Confident	77.9	Confident	24 Å²	24	40.7 Å²	40.7	11%	0.111	22%	0.22	C	C	.	.	S	Bend	trans	52.8	27.9	176.2	-59.1	-63	0	0	0	115.7	E364 H396 Y692	H348-E364 IonicContact CD2-OE2 2.74Å; H348-H396 AromaticContact CD2-CE1 3.44Å; H348-H396 PolarHBondContact CD2-CE1 2.88Å; H348-H396 VanDerWaalsContact CD2-CE1 3.44Å; H348-H396 AromaticContact CD2-NE2 3.34Å; H348-H396 PolarHBondContact CD2-NE2 3.25Å; H348-H396 VanDerWaalsContact CD2-NE2 3.34Å; H348-H396 AromaticContact CE1-CE1 3.18Å; H348-H396 PolarHBondContact CE1-CE1 3.17Å; H348-H396 AromaticContact CE1-ND1 3.69Å; H348-H396 AromaticContact CE1-NE2 3.9Å; H348-H396 AromaticContact CG-CD2 3.81Å; H348-H396 AromaticContact CG-CE1 3.37Å; H348-H396 AromaticContact CG-CG 3.98Å; H348-H396 AromaticContact CG-ND1 3.71Å; H348-H396 AromaticContact CG-NE2 3.42Å; H348-H396 AromaticContact ND1-CE1 3.21Å; H348-H396 PolarHBondContact ND1-CE1 3.04Å; H348-H396 AromaticContact ND1-CG 4Å; H348-H396 AromaticContact ND1-ND1 3.35Å; H348-H396 PolarHBondContact ND1-ND1 2.72Å; H348-H396 AromaticContact ND1-NE2 3.78Å; H348-H396 AromaticContact NE2-CE1 3.36Å; H348-H396 PolarHBondContact NE2-CE1 3.25Å; H348-H396 AromaticContact NE2-NE2 3.71Å; H348-H396 PolarHBondContact O-N 3.15Å; H348-Y692 AromaticContact CE1-CD1 3.29Å; H348-Y692 WeakPolarHBondContact CE1-CD1 3.15Å; H348-Y692 AromaticContact CE1-CE1 3.25Å; H348-Y692 WeakPolarHBondContact CE1-CE1 3.48Å; H348-Y692 AromaticContact ND1-CD1 3.99Å; H348-Y692 AromaticContact NE2-CD1 3.73Å; H348-Y692 AromaticContact NE2-CE1 3.56Å
349	H	90.7	Very high	78.7	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.042	21%	0.21	C	C	.	.			trans	-86.8	154.2	178	59.8	-86.4	0	0	0	110.9	R346 V347 V351 V360 G362	R346-H349 HydrophobicContact CG-CB 4.22Å; V347-H349 PolarHBondContact O-N 3.19Å; H349-V351 VanDerWaalsContact CD2-CG2 3.41Å; H349-V351 WeakPolarHBondContact CD2-CG2 3.39Å; H349-V360 HydrophobicContact CB-CG1 4.44Å; H349-G362 WeakPolarHBondContact CB-O 3.42Å
350	G	91.2	Very high	79.8	Confident	4 Å²	4	35 Å²	35	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.2	171.9	0	0	0	0	0	111.2	V360 V361 H397	G350-V360 WeakPolarHBondContact O-CA 3.1Å; G350-V361 PolarHBondContact N-O 2.76Å; G350-V361 PolarHBondContact O-N 2.95Å; G350-H397 PolarHBondContact N-NE2 3.02Å
351	V	92.2	Very high	81.1	Confident	16 Å²	16	34.5 Å²	34.5	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.6	169.7	-178.8	0	0	0	0	109.6	L304 H349 I358 Y359 V694 C696	L304-V351 HydrophobicContact CB-CG2 4.3Å; L304-V351 HydrophobicContact CD1-CG1 3.78Å; L304-V351 HydrophobicContact CD1-CG2 4.17Å; L304-V351 HydrophobicContact CD2-CG2 4.41Å; H349-V351 VanDerWaalsContact CD2-CG2 3.41Å; H349-V351 WeakPolarHBondContact CD2-CG2 3.39Å; V351-I358 HydrophobicContact CG1-CG2 3.97Å; V351-Y359 VanDerWaalsContact CA-O 3.3Å; V351-Y359 WeakPolarHBondContact CA-O 3.24Å; V351-V694 HydrophobicContact CB-CB 4.31Å; V351-V694 HydrophobicContact CB-CG1 3.68Å; V351-V694 HydrophobicContact CG2-CB 3.69Å; V351-V694 HydrophobicContact CG2-CG1 3.61Å; V351-C696 HydrophobicContact CG1-CB 3.69Å
352	A	92.6	Very high	82.8	Confident	8 Å²	8	30.7 Å²	30.7	7%	0.066	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	171.3	0	0	0	0	0	110.1	Y359 L399 C401 L406	A352-Y359 PolarHBondContact N-O 2.8Å; A352-Y359 WeakPolarHBondContact O-CD2 3.35Å; A352-Y359 PolarHBondContact O-N 2.81Å; A352-L399 HydrophobicContact CB-CB 4.42Å; A352-L399 HydrophobicContact CB-CD2 3.74Å; A352-L399 HydrophobicContact CB-CG 3.69Å; A352-C401 HydrophobicContact CB-CB 3.94Å; A352-L406 HydrophobicContact CB-CD2 4.28Å
353	A	87.8	Confident	84.4	Confident	27 Å²	27	19.9 Å²	19.9	22%	0.223	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144	178.9	0	0	0	0	0	110.8	I358 C401 C696 I697 A698	A353-I358 HydrophobicContact CB-CG1 4.17Å; A353-C401 WeakPolarHBondContact O-CB 3.42Å; A353-C696 HydrophobicContact CB-CB 4.23Å; A353-I697 VanDerWaalsContact CB-O 3.22Å; A353-I697 WeakPolarHBondContact CB-O 3.43Å; A353-A698 HydrophobicContact CB-CB 3.65Å
354	S	80.6	Confident	85.4	Confident	21 Å²	21	20.9 Å²	20.9	15%	0.147	12%	0.122	C	C	.	.			trans	-116.9	-174.5	165.5	66.4	0	0	0	0	109	N356 W357 Y359	S354-N356 VanDerWaalsContact C-N 3.28Å; S354-N356 PolarHBondContact O-N 3.06Å; S354-W357 PolarHBondContact N-O 2.72Å; S354-W357 WeakPolarHBondContact OG-CB 3.38Å; S354-W357 PolarHBondContact OG-N 2.92Å; S354-W357 PolarHBondContact OG-O 2.96Å; S354-Y359 WeakPolarHBondContact OG-CE2 3.14Å
355	L	70.7	Confident	86.4	Confident	83 Å²	83	18.8 Å²	18.8	44%	0.435	10%	0.104	S	C	.	.	S	Bend	trans	-59.8	-36.4	-179.1	-73.6	167.5	0	0	0	114.1	V295 P699	V295-L355 HydrophobicContact CG1-CD2 3.74Å; L355-P699 HydrophobicContact CD2-CG 4.16Å; L355-P699 WeakPolarHBondContact O-CB 3.48Å; L355-P699 WeakPolarHBondContact O-CG 3.18Å
356	N	74.1	Confident	86.3	Confident	47 Å²	47	22.5 Å²	22.5	25%	0.251	12%	0.119	S	C	.	.	S	Bend	trans	-121	-5.8	-172.9	-64.6	-9.5	0	0	0	113.6	S354 L379	S354-N356 VanDerWaalsContact C-N 3.28Å; S354-N356 PolarHBondContact O-N 3.06Å; N356-L379 WeakPolarHBondContact O-CB 3.47Å; N356-L379 PolarHBondContact O-N 3.34Å
357	W	84.1	Confident	86.1	Confident	54 Å²	54	29.7 Å²	29.7	21%	0.205	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.1	-171.3	-57.4	94	0	0	0	111.8	S354 Y359 R376 F377 S378 H385	S354-W357 PolarHBondContact N-O 2.72Å; S354-W357 WeakPolarHBondContact OG-CB 3.38Å; S354-W357 PolarHBondContact OG-N 2.92Å; S354-W357 PolarHBondContact OG-O 2.96Å; W357-Y359 HydrophobicContact CB-CD2 4.48Å; W357-Y359 HydrophobicContact CB-CE1 3.97Å; W357-Y359 HydrophobicContact CB-CE2 3.73Å; W357-Y359 VanDerWaalsContact CB-CZ 3.42Å; W357-Y359 WeakPolarHBondContact CB-OH 3.42Å; W357-R376 HydrophobicContact CD2-CG 4.5Å; W357-R376 HydrophobicContact CE3-CB 4.07Å; W357-R376 HydrophobicContact CE3-CG 3.67Å; W357-R376 HydrophobicContact CZ3-CG 3.93Å; W357-F377 VanDerWaalsContact CA-O 3.23Å; W357-F377 WeakPolarHBondContact CA-O 3.3Å; W357-S378 VanDerWaalsContact CE3-CA 3.45Å; W357-S378 VanDerWaalsContact CZ3-CA 3.48Å; W357-S378 VanDerWaalsContact CZ3-CB 3.4Å; W357-H385 AromaticContact CH2-ND1 4Å; W357-H385 HydrophobicContact CZ3-CB 4.49Å; W357-H385 AromaticContact CZ3-ND1 3.56Å
358	I	89	Confident	85.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.3	162.6	-67.5	162.6	0	0	0	108.2	Y302 L304 F325 V351 A353 R376 F377 L379 A698	Y302-I358 HydrophobicContact CD1-CD1 3.86Å; Y302-I358 HydrophobicContact CD2-CD1 3.6Å; Y302-I358 HydrophobicContact CE1-CD1 4.22Å; Y302-I358 HydrophobicContact CE2-CD1 4.02Å; Y302-I358 HydrophobicContact CG-CD1 3.5Å; L304-I358 HydrophobicContact CD1-CG2 4.38Å; F325-I358 HydrophobicContact CE2-CD1 3.92Å; F325-I358 HydrophobicContact CE2-CG2 4.17Å; F325-I358 HydrophobicContact CZ-CD1 3.56Å; V351-I358 HydrophobicContact CG1-CG2 3.97Å; A353-I358 HydrophobicContact CB-CG1 4.17Å; I358-R376 CarbonylContact O-C 3.58Å; I358-R376 WeakPolarHBondContact O-CA 3.4Å; I358-F377 HydrophobicContact CB-CB 4.33Å; I358-F377 HydrophobicContact CD1-CD1 4.48Å; I358-F377 PolarHBondContact N-O 3.48Å; I358-F377 PolarHBondContact O-N 2.75Å; I358-L379 HydrophobicContact CD1-CD2 3.68Å; I358-L379 HydrophobicContact CG1-CD1 4.49Å; I358-L379 HydrophobicContact CG1-CD2 4.16Å; I358-L379 HydrophobicContact CG1-CG 4.49Å; I358-A698 HydrophobicContact CD1-CB 3.83Å; I358-A698 HydrophobicContact CG1-CB 3.8Å
359	Y	91.3	Very high	85.6	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.6	-175	-59.4	-78.5	0	0	0	110.3	V351 A352 S354 W357 R376 M387 L406 I432	V351-Y359 VanDerWaalsContact CA-O 3.3Å; V351-Y359 WeakPolarHBondContact CA-O 3.24Å; A352-Y359 PolarHBondContact N-O 2.8Å; A352-Y359 WeakPolarHBondContact O-CD2 3.35Å; A352-Y359 PolarHBondContact O-N 2.81Å; S354-Y359 WeakPolarHBondContact OG-CE2 3.14Å; W357-Y359 HydrophobicContact CB-CD2 4.48Å; W357-Y359 HydrophobicContact CB-CE1 3.97Å; W357-Y359 HydrophobicContact CB-CE2 3.73Å; W357-Y359 VanDerWaalsContact CB-CZ 3.42Å; W357-Y359 WeakPolarHBondContact CB-OH 3.42Å; Y359-R376 HydrophobicContact CD1-CB 3.56Å; Y359-R376 HydrophobicContact CE1-CB 3.73Å; Y359-R376 HydrophobicContact CE1-CG 4.43Å; Y359-M387 HydrophobicContact CD1-CE 3.91Å; Y359-M387 HydrophobicContact CD1-SD 3.41Å; Y359-M387 WeakPolarHBondContact CD1-SD 3.33Å; Y359-M387 HydrophobicContact CE1-SD 3.77Å; Y359-L406 HydrophobicContact CD1-CD1 3.73Å; Y359-L406 HydrophobicContact CD2-CD1 4.11Å; Y359-L406 HydrophobicContact CD2-CD2 3.56Å; Y359-L406 HydrophobicContact CD2-CG 4.39Å; Y359-L406 HydrophobicContact CE1-CD1 4.25Å; Y359-L406 HydrophobicContact CE2-CD2 3.94Å; Y359-L406 HydrophobicContact CG-CD1 3.64Å; Y359-L406 HydrophobicContact CG-CD2 3.95Å; Y359-L406 HydrophobicContact CG-CG 4.4Å; Y359-I432 HydrophobicContact CE2-CD1 4.27Å; Y359-I432 WeakPolarHBondContact OH-CD1 3.37Å
360	V	92	Very high	85.6	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126	175	-176.1	0	0	0	0	108.3	L304 H349 G350 C374 S375 W384	L304-V360 HydrophobicContact CD2-CG2 3.34Å; H349-V360 HydrophobicContact CB-CG1 4.44Å; G350-V360 WeakPolarHBondContact O-CA 3.1Å; V360-C374 WeakPolarHBondContact O-CA 3.4Å; V360-S375 PolarHBondContact N-O 2.88Å; V360-S375 PolarHBondContact O-N 3.47Å; V360-W384 HydrophobicContact CG2-CH2 3.72Å; V360-W384 HydrophobicContact CG2-CZ3 3.81Å
361	V	93.3	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.3	-172.4	175.6	0	0	0	0	110	G350 M387 L390 H397 L399 V408 W437	G350-V361 PolarHBondContact N-O 2.76Å; G350-V361 PolarHBondContact O-N 2.95Å; V361-M387 HydrophobicContact CG2-CE 4.15Å; V361-L390 HydrophobicContact CG1-CD1 3.72Å; V361-L390 HydrophobicContact CG1-CD2 3.98Å; V361-L390 HydrophobicContact CG1-CG 3.98Å; V361-H397 PolarHBondContact O-CE1 2.64Å; V361-H397 PolarHBondContact O-NE2 2.8Å; V361-L399 HydrophobicContact CB-CD1 4.34Å; V361-L399 HydrophobicContact CB-CD2 4Å; V361-L399 HydrophobicContact CG2-CD1 4.04Å; V361-L399 HydrophobicContact CG2-CD2 3.69Å; V361-V408 HydrophobicContact CG1-CG2 4.14Å; V361-W437 HydrophobicContact CG1-CH2 4.13Å; V361-W437 HydrophobicContact CG1-CZ2 4.12Å; V361-W437 HydrophobicContact CG2-CH2 4Å; V361-W437 HydrophobicContact CG2-CZ2 3.88Å
362	G	92.1	Very high	85.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.			trans	57.8	-143.5	173.5	0	0	0	0	0	114.2	R346 H349 L371 H373	R346-G362 WeakPolarHBondContact CD-O 3.32Å; R346-G362 PolarHBondContact NH1-O 2.71Å; H349-G362 WeakPolarHBondContact CB-O 3.42Å; G362-L371 VanDerWaalsContact CA-O 3.27Å; G362-L371 WeakPolarHBondContact CA-O 3.33Å; G362-H373 PolarHBondContact N-O 3.04Å
363	G	90	Very high	85.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.			trans	109	-165	-176.7	0	0	0	0	0	112.8	V347 L371 R394	V347-G363 CarbonylContact O-C 3.56Å; V347-G363 VanDerWaalsContact O-CA 3.23Å; V347-G363 WeakPolarHBondContact O-CA 3.32Å; G363-L371 PolarHBondContact O-N 3.42Å; G363-R394 PolarHBondContact N-O 2.86Å
364	E	86.5	Confident	85.7	Confident	39 Å²	39	40.1 Å²	40.1	18%	0.182	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-127.1	138.8	-179.8	-174.7	-179.8	159.4	0	0	109.7	R346 V347 H348 G368 E369	R346-E364 CarbonylContact C-O 3.59Å; R346-E364 WeakPolarHBondContact CA-O 3.49Å; R346-E364 VanDerWaalsContact CB-O 3.26Å; R346-E364 WeakPolarHBondContact CB-O 3.47Å; V347-E364 HydrophobicContact CG2-CB 4.1Å; V347-E364 PolarHBondContact N-O 2.92Å; V347-E364 PolarHBondContact O-N 3.46Å; H348-E364 IonicContact CD2-OE2 2.74Å; E364-G368 VanDerWaalsContact OE1-CA 3.27Å; E364-G368 WeakPolarHBondContact OE1-CA 3.25Å; E364-E369 CarbonylContact C-O 3.58Å; E364-E369 VanDerWaalsContact CA-O 3.32Å; E364-E369 WeakPolarHBondContact CA-O 3.35Å
365	S	84.4	Confident	86.2	Confident	15 Å²	15	39.5 Å²	39.5	11%	0.105	20%	0.202	C	C	.	.			trans	-79.1	176.9	-178.6	75.3	0	0	0	0	113.1	Q321 E367 G368 E369	Q321-S365 PolarHBondContact NE2-O 2.94Å; Q321-S365 VanDerWaalsContact NE2-O 3.08Å; Q321-S365 VanDerWaalsContact OE1-C 3.25Å; S365-E367 PolarHBondContact O-N 3.1Å; S365-E367 PolarHBondContact OG-N 3.15Å; S365-G368 PolarHBondContact O-N 3.17Å; S365-G368 VanDerWaalsContact O-N 3.16Å; S365-E369 PolarHBondContact N-O 3.09Å; S365-E369 WeakPolarHBondContact OG-CB 3.43Å; S365-E369 PolarHBondContact OG-N 3.41Å; S365-E369 VanDerWaalsContact OG-N 3.09Å
366	E	75.1	Confident	87.1	Confident	99 Å²	99	38 Å²	38	46%	0.463	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-27	171.1	-74.6	-178.5	-172.6	0	0	113.1	Q321 S345 G368	Q321-E366 HydrophobicContact CB-CG 3.57Å; Q321-E366 HydrophobicContact CG-CG 3.69Å; Q321-E366 VanDerWaalsContact OE1-N 3.1Å; S345-E366 WeakPolarHBondContact CB-OE1 3.28Å; S345-E366 PolarHBondContact OG-OE1 3.12Å; E366-G368 VanDerWaalsContact C-N 3.32Å
367	E	77.2	Confident	87.7	Confident	167 Å²	167	35.8 Å²	35.8	78%	0.78	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.9	-179.8	-60	-176.1	-175.4	0	0	112.5	S365 E369	S365-E367 PolarHBondContact O-N 3.1Å; S365-E367 PolarHBondContact OG-N 3.15Å; E367-E369 HydrophobicContact CB-CG 4.4Å
368	G	77.8	Confident	87.5	Confident	35 Å²	35	33.3 Å²	33.3	36%	0.361	17%	0.169	S	C	.	.	S	Bend	trans	83.3	12.7	-177.4	0	0	0	0	0	114.3	E364 S365 E366	E364-G368 VanDerWaalsContact OE1-CA 3.27Å; E364-G368 WeakPolarHBondContact OE1-CA 3.25Å; S365-G368 PolarHBondContact O-N 3.17Å; S365-G368 VanDerWaalsContact O-N 3.16Å; E366-G368 VanDerWaalsContact C-N 3.32Å
369	E	85.3	Confident	86.8	Confident	119 Å²	119	33.3 Å²	33.3	56%	0.556	17%	0.169	S	C	*	.			trans	-83.6	133	179	-59.2	-171.2	148	0	0	110.9	E364 S365 E367	E364-E369 CarbonylContact C-O 3.58Å; E364-E369 VanDerWaalsContact CA-O 3.32Å; E364-E369 WeakPolarHBondContact CA-O 3.35Å; S365-E369 PolarHBondContact N-O 3.09Å; S365-E369 WeakPolarHBondContact OG-CB 3.43Å; S365-E369 PolarHBondContact OG-N 3.41Å; S365-E369 VanDerWaalsContact OG-N 3.09Å; E367-E369 HydrophobicContact CB-CG 4.4Å
370	L	89.3	Confident	85.7	Confident	36 Å²	36	34.8 Å²	34.8	19%	0.188	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-66.5	140.9	171.2	-79.6	71.1	0	0	0	109.6	P393 Y412 L414	L370-P393 HydrophobicContact CB-CB 3.61Å; L370-P393 WeakPolarHBondContact O-CB 3.09Å; L370-Y412 WeakPolarHBondContact CD2-O 3.08Å; L370-L414 HydrophobicContact CD2-CB 4.42Å
371	L	90.9	Very high	84.7	Confident	29 Å²	29	38.6 Å²	38.6	15%	0.152	20%	0.199	C	C	.	.			trans	-109.5	142.8	-178.1	-59.1	175.8	0	0	0	111	R346 G362 G363 P393 R394	R346-L371 HydrophobicContact CB-CD1 3.98Å; G362-L371 VanDerWaalsContact CA-O 3.27Å; G362-L371 WeakPolarHBondContact CA-O 3.33Å; G363-L371 PolarHBondContact O-N 3.42Å; L371-P393 WeakPolarHBondContact O-CA 3.39Å; L371-R394 PolarHBondContact O-N 3.01Å
372	N	92.6	Very high	83.8	Confident	44 Å²	44	40.9 Å²	40.9	24%	0.235	21%	0.21	C	C	.	.			trans	-101.5	-5.7	167.8	69.9	-25.1	0	0	0	112.7	C374 E389 L390 P393	N372-C374 PolarHBondContact O-SG 3.19Å; N372-C374 VanDerWaalsContact O-SG 3.37Å; N372-E389 PolarHBondContact ND2-OE2 3.26Å; N372-L390 HydrophobicContact CB-CB 4.13Å; N372-L390 WeakPolarHBondContact CB-O 3.22Å; N372-L390 PolarHBondContact ND2-O 3.25Å; N372-L390 PolarHBondContact O-N 3.08Å; N372-P393 HydrophobicContact CB-CB 4.45Å; N372-P393 HydrophobicContact CB-CG 4.13Å
373	H	91.4	Very high	83.2	Confident	45 Å²	45	44 Å²	44	21%	0.208	23%	0.23	C	C	.	.			trans	-62.1	134.5	-175.8	179.6	81.5	0	0	0	112.4	R346 G362	R346-H373 PolarHBondContact NH1-O 3.18Å; R346-H373 PolarHBondContact NH2-CD2 2.91Å; R346-H373 VanDerWaalsContact NH2-CD2 3.28Å; G362-H373 PolarHBondContact N-O 3.04Å
374	C	92.4	Very high	83	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.5	179.3	-63.7	0	0	0	0	111.2	V360 N372 M387 S388	V360-C374 WeakPolarHBondContact O-CA 3.4Å; N372-C374 PolarHBondContact O-SG 3.19Å; N372-C374 VanDerWaalsContact O-SG 3.37Å; C374-M387 HydrophobicContact CB-CB 3.96Å; C374-M387 HydrophobicContact CB-CE 3.7Å; C374-M387 PolarHBondContact O-N 3.16Å; C374-S388 WeakPolarHBondContact CB-O 3.3Å
375	S	91	Very high	82.9	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.063	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161.3	177.9	64.7	0	0	0	0	112	V360 H385 M387	V360-S375 PolarHBondContact N-O 2.88Å; V360-S375 PolarHBondContact O-N 3.47Å; S375-H385 CarbonylContact C-O 3.5Å; S375-H385 WeakPolarHBondContact CA-O 3.35Å; S375-M387 WeakPolarHBondContact O-CE 3.44Å
376	R	90.2	Very high	83.1	Confident	51 Å²	51	51.4 Å²	51.4	19%	0.192	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.4	176.2	65	-177.3	-179.7	-173.8	-3.2	112.2	W357 I358 Y359 W384 H385 M387	W357-R376 HydrophobicContact CD2-CG 4.5Å; W357-R376 HydrophobicContact CE3-CB 4.07Å; W357-R376 HydrophobicContact CE3-CG 3.67Å; W357-R376 HydrophobicContact CZ3-CG 3.93Å; I358-R376 CarbonylContact O-C 3.58Å; I358-R376 WeakPolarHBondContact O-CA 3.4Å; Y359-R376 HydrophobicContact CD1-CB 3.56Å; Y359-R376 HydrophobicContact CE1-CB 3.73Å; Y359-R376 HydrophobicContact CE1-CG 4.43Å; R376-W384 CarbonylContact O-C 3.52Å; R376-W384 WeakPolarHBondContact O-CA 3.45Å; R376-H385 HydrophobicContact CG-CB 3.93Å; R376-H385 PolarHBondContact N-O 3.3Å; R376-H385 PolarHBondContact O-N 2.89Å; R376-M387 HydrophobicContact CB-CG 4.06Å; R376-M387 HydrophobicContact CB-SD 3.74Å; R376-M387 HydrophobicContact CG-CG 3.83Å; R376-M387 HydrophobicContact CG-SD 4.02Å
377	F	85.8	Confident	83.8	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.6	177.1	-179.8	-109.3	0	0	0	110	F325 Y338 W357 I358 L379 L382 W384	F325-F377 AromaticContact CE1-CD1 3.87Å; F325-F377 HydrophobicContact CE1-CD1 3.87Å; F325-F377 AromaticContact CE1-CE1 3.66Å; F325-F377 HydrophobicContact CE1-CE1 3.66Å; F325-F377 HydrophobicContact CE1-CG 4.42Å; F325-F377 HydrophobicContact CE1-CZ 4.04Å; F325-F377 HydrophobicContact CE2-CD1 4.38Å; F325-F377 AromaticContact CZ-CD1 3.59Å; F325-F377 HydrophobicContact CZ-CD1 3.59Å; F325-F377 AromaticContact CZ-CE1 3.85Å; F325-F377 HydrophobicContact CZ-CE1 3.85Å; F325-F377 HydrophobicContact CZ-CG 4.15Å; Y338-F377 HydrophobicContact CD1-CZ 4.45Å; Y338-F377 HydrophobicContact CG-CZ 4.42Å; W357-F377 VanDerWaalsContact CA-O 3.23Å; W357-F377 WeakPolarHBondContact CA-O 3.3Å; I358-F377 HydrophobicContact CB-CB 4.33Å; I358-F377 HydrophobicContact CD1-CD1 4.48Å; I358-F377 PolarHBondContact N-O 3.48Å; I358-F377 PolarHBondContact O-N 2.75Å; F377-L379 HydrophobicContact CD1-CD2 4.14Å; F377-L379 HydrophobicContact CE1-CD2 4.23Å; F377-L379 PolarHBondContact O-N 2.98Å; F377-L382 HydrophobicContact CE1-CD2 3.96Å; F377-L382 HydrophobicContact CE2-CB 4.44Å; F377-L382 WeakPolarHBondContact CE2-O 3.36Å; F377-L382 VanDerWaalsContact CZ-CA 3.48Å; F377-L382 HydrophobicContact CZ-CB 3.92Å; F377-L382 HydrophobicContact CZ-CD2 3.8Å; F377-W384 HydrophobicContact CB-CD2 3.87Å; F377-W384 HydrophobicContact CB-CE3 3.88Å; F377-W384 HydrophobicContact CB-CH2 3.94Å; F377-W384 HydrophobicContact CB-CZ2 3.93Å; F377-W384 HydrophobicContact CB-CZ3 3.91Å; F377-W384 AromaticContact CD2-CD1 3.53Å; F377-W384 AromaticContact CD2-CD2 3.87Å; F377-W384 HydrophobicContact CD2-CD2 3.87Å; F377-W384 AromaticContact CD2-CE2 3.61Å; F377-W384 AromaticContact CD2-CG 3.86Å; F377-W384 HydrophobicContact CD2-CG 3.86Å; F377-W384 HydrophobicContact CD2-CZ2 4.26Å; F377-W384 AromaticContact CD2-NE1 3.37Å; F377-W384 AromaticContact CE2-CD1 3.99Å; F377-W384 AromaticContact CE2-NE1 3.84Å; F377-W384 HydrophobicContact CG-CD2 4.33Å; F377-W384 HydrophobicContact CG-CZ2 4.28Å
378	S	79.5	Confident	84.6	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.9	173.1	-178.5	0	0	0	0	108.8	W357 T380 D381 L382 V383	W357-S378 VanDerWaalsContact CE3-CA 3.45Å; W357-S378 VanDerWaalsContact CZ3-CA 3.48Å; W357-S378 VanDerWaalsContact CZ3-CB 3.4Å; S378-T380 PolarHBondContact O-N 3.09Å; S378-T380 PolarHBondContact OG-N 2.83Å; S378-D381 PolarHBondContact OG-N 2.95Å; S378-D381 PolarHBondContact OG-OD2 3.12Å; S378-L382 WeakPolarHBondContact O-CA 3.03Å; S378-L382 PolarHBondContact O-N 2.85Å; S378-V383 PolarHBondContact N-O 3.11Å
379	L	75.7	Confident	85.3	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.6	172.9	-67	169.9	0	0	0	111.6	Y302 N356 I358 F377 A698 P699 L701	Y302-L379 HydrophobicContact CE1-CD2 4.19Å; Y302-L379 HydrophobicContact CE2-CD2 4.22Å; N356-L379 WeakPolarHBondContact O-CB 3.47Å; N356-L379 PolarHBondContact O-N 3.34Å; I358-L379 HydrophobicContact CD1-CD2 3.68Å; I358-L379 HydrophobicContact CG1-CD1 4.49Å; I358-L379 HydrophobicContact CG1-CD2 4.16Å; I358-L379 HydrophobicContact CG1-CG 4.49Å; F377-L379 HydrophobicContact CD1-CD2 4.14Å; F377-L379 HydrophobicContact CE1-CD2 4.23Å; F377-L379 PolarHBondContact O-N 2.98Å; L379-A698 HydrophobicContact CD1-CB 3.72Å; L379-A698 HydrophobicContact CD2-CB 4.31Å; L379-P699 HydrophobicContact CD1-CB 4.31Å; L379-L701 HydrophobicContact CB-CD1 3.79Å; L379-L701 HydrophobicContact CB-CG 4.28Å
380	T	68.2	Low	85.7	Confident	32 Å²	32	38.8 Å²	38.8	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-51.5	178.5	-48.2	0	0	0	0	111	S378 L701 C703	S378-T380 PolarHBondContact O-N 3.09Å; S378-T380 PolarHBondContact OG-N 2.83Å; T380-L701 WeakPolarHBondContact OG1-CD1 3.47Å; T380-C703 VanDerWaalsContact CG2-SG 3.54Å; T380-C703 WeakPolarHBondContact O-CB 3.3Å
381	D	69.8	Low	85.8	Confident	88 Å²	88	42.2 Å²	42.2	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-14	-173.6	-46.9	-60.1	0	0	0	112.5	S378 V383	S378-D381 PolarHBondContact OG-N 2.95Å; S378-D381 PolarHBondContact OG-OD2 3.12Å; D381-V383 VanDerWaalsContact C-N 3.29Å; D381-V383 HydrophobicContact CB-CB 4.41Å; D381-V383 HydrophobicContact CB-CG2 4.34Å; D381-V383 PolarHBondContact O-N 2.93Å
382	L	74.7	Confident	85.8	Confident	47 Å²	47	41.6 Å²	41.6	25%	0.246	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	40.3	-171.9	-54.2	175.6	0	0	0	112.4	Y338 F377 S378	Y338-L382 HydrophobicContact CE1-CB 4.29Å; Y338-L382 HydrophobicContact CE1-CD1 4.08Å; F377-L382 HydrophobicContact CE1-CD2 3.96Å; F377-L382 HydrophobicContact CE2-CB 4.44Å; F377-L382 WeakPolarHBondContact CE2-O 3.36Å; F377-L382 VanDerWaalsContact CZ-CA 3.48Å; F377-L382 HydrophobicContact CZ-CB 3.92Å; F377-L382 HydrophobicContact CZ-CD2 3.8Å; S378-L382 WeakPolarHBondContact O-CA 3.03Å; S378-L382 PolarHBondContact O-N 2.85Å
383	V	79.7	Confident	85.9	Confident	67 Å²	67	40 Å²	40	41%	0.406	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.5	-177.6	177.7	0	0	0	0	111.5	S378 D381 H385	S378-V383 PolarHBondContact N-O 3.11Å; D381-V383 VanDerWaalsContact C-N 3.29Å; D381-V383 HydrophobicContact CB-CB 4.41Å; D381-V383 HydrophobicContact CB-CG2 4.34Å; D381-V383 PolarHBondContact O-N 2.93Å; V383-H385 PolarHBondContact O-ND1 2.98Å; V383-H385 VanDerWaalsContact O-ND1 3.08Å
384	W	85.3	Confident	86	Confident	33 Å²	33	38.1 Å²	38.1	13%	0.125	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	142	174.3	-73.5	91.6	0	0	0	112.6	L304 F325 P340 V360 R376 F377	L304-W384 HydrophobicContact CD2-CH2 3.78Å; L304-W384 HydrophobicContact CD2-CZ2 4.35Å; F325-W384 HydrophobicContact CB-CZ2 3.96Å; F325-W384 AromaticContact CD2-CH2 3.92Å; F325-W384 HydrophobicContact CD2-CH2 3.92Å; F325-W384 AromaticContact CD2-CZ2 3.39Å; F325-W384 HydrophobicContact CD2-CZ2 3.39Å; F325-W384 HydrophobicContact CE2-CH2 4.27Å; F325-W384 AromaticContact CE2-CZ2 3.96Å; F325-W384 HydrophobicContact CE2-CZ2 3.96Å; F325-W384 AromaticContact CG-CZ2 3.77Å; F325-W384 HydrophobicContact CG-CZ2 3.77Å; P340-W384 VanDerWaalsContact CA-CD1 3.43Å; P340-W384 HydrophobicContact CB-CD2 3.82Å; P340-W384 HydrophobicContact CB-CG 3.76Å; P340-W384 HydrophobicContact CB-CZ2 4.42Å; P340-W384 HydrophobicContact CG-CD2 4.18Å; P340-W384 HydrophobicContact CG-CZ2 3.86Å; V360-W384 HydrophobicContact CG2-CH2 3.72Å; V360-W384 HydrophobicContact CG2-CZ3 3.81Å; R376-W384 CarbonylContact O-C 3.52Å; R376-W384 WeakPolarHBondContact O-CA 3.45Å; F377-W384 HydrophobicContact CB-CD2 3.87Å; F377-W384 HydrophobicContact CB-CE3 3.88Å; F377-W384 HydrophobicContact CB-CH2 3.94Å; F377-W384 HydrophobicContact CB-CZ2 3.93Å; F377-W384 HydrophobicContact CB-CZ3 3.91Å; F377-W384 AromaticContact CD2-CD1 3.53Å; F377-W384 AromaticContact CD2-CD2 3.87Å; F377-W384 HydrophobicContact CD2-CD2 3.87Å; F377-W384 AromaticContact CD2-CE2 3.61Å; F377-W384 AromaticContact CD2-CG 3.86Å; F377-W384 HydrophobicContact CD2-CG 3.86Å; F377-W384 HydrophobicContact CD2-CZ2 4.26Å; F377-W384 AromaticContact CD2-NE1 3.37Å; F377-W384 AromaticContact CE2-CD1 3.99Å; F377-W384 AromaticContact CE2-NE1 3.84Å; F377-W384 HydrophobicContact CG-CD2 4.33Å; F377-W384 HydrophobicContact CG-CZ2 4.28Å
385	H	85.7	Confident	86	Confident	74 Å²	74	38.2 Å²	38.2	34%	0.343	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.7	179.2	-63.8	76.8	0	0	0	109.9	W357 S375 R376 V383	W357-H385 AromaticContact CH2-ND1 4Å; W357-H385 HydrophobicContact CZ3-CB 4.49Å; W357-H385 AromaticContact CZ3-ND1 3.56Å; S375-H385 CarbonylContact C-O 3.5Å; S375-H385 WeakPolarHBondContact CA-O 3.35Å; R376-H385 HydrophobicContact CG-CB 3.93Å; R376-H385 PolarHBondContact N-O 3.3Å; R376-H385 PolarHBondContact O-N 2.89Å; V383-H385 PolarHBondContact O-ND1 2.98Å; V383-H385 VanDerWaalsContact O-ND1 3.08Å
386	T	88	Confident	86	Confident	102 Å²	102	39.2 Å²	39.2	63%	0.626	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	147	175.1	-50.9	0	0	0	0	110.6
387	M	90.5	Very high	86.2	Confident	9 Å²	9	37.3 Å²	37.3	4%	0.044	20%	0.202	C	C	.	.			trans	-116	171	174.2	-56.6	-165.7	-59	0	0	110.5	Y359 V361 C374 S375 R376 E389 Y430	Y359-M387 HydrophobicContact CD1-CE 3.91Å; Y359-M387 HydrophobicContact CD1-SD 3.41Å; Y359-M387 WeakPolarHBondContact CD1-SD 3.33Å; Y359-M387 HydrophobicContact CE1-SD 3.77Å; V361-M387 HydrophobicContact CG2-CE 4.15Å; C374-M387 HydrophobicContact CB-CB 3.96Å; C374-M387 HydrophobicContact CB-CE 3.7Å; C374-M387 PolarHBondContact O-N 3.16Å; S375-M387 WeakPolarHBondContact O-CE 3.44Å; R376-M387 HydrophobicContact CB-CG 4.06Å; R376-M387 HydrophobicContact CB-SD 3.74Å; R376-M387 HydrophobicContact CG-CG 3.83Å; R376-M387 HydrophobicContact CG-SD 4.02Å; M387-E389 PolarHBondContact O-N 2.98Å; M387-Y430 HydrophobicContact SD-CE1 4.23Å
388	S	92.8	Very high	86.6	Confident	40 Å²	40	38.1 Å²	38.1	28%	0.28	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-57.3	134.8	166.8	-66	0	0	0	0	110.6	C374 N435 W437	C374-S388 WeakPolarHBondContact CB-O 3.3Å; S388-N435 WeakPolarHBondContact CB-O 3.35Å; S388-N435 PolarHBondContact N-OD1 3.34Å; S388-N435 PolarHBondContact OG-ND2 3.2Å; S388-N435 PolarHBondContact OG-O 3.19Å; S388-N435 PolarHBondContact OG-OD1 3.26Å; S388-W437 PolarHBondContact O-NE1 3.14Å
389	E	93.6	Very high	87.4	Confident	102 Å²	102	38.7 Å²	38.7	48%	0.477	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-72.1	155.8	179.7	-62	-177.6	174.1	0	0	111	N372 M387	N372-E389 PolarHBondContact ND2-OE2 3.26Å; M387-E389 PolarHBondContact O-N 2.98Å
390	L	93.6	Very high	88.2	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-62.8	146	167	-65	174.2	0	0	0	108.8	V361 N372 S392 R394 L428 W437	V361-L390 HydrophobicContact CG1-CD1 3.72Å; V361-L390 HydrophobicContact CG1-CD2 3.98Å; V361-L390 HydrophobicContact CG1-CG 3.98Å; N372-L390 HydrophobicContact CB-CB 4.13Å; N372-L390 WeakPolarHBondContact CB-O 3.22Å; N372-L390 PolarHBondContact ND2-O 3.25Å; N372-L390 PolarHBondContact O-N 3.08Å; L390-S392 WeakPolarHBondContact CB-O 3.25Å; L390-S392 PolarHBondContact O-N 3.09Å; L390-R394 HydrophobicContact CD1-CB 3.92Å; L390-L428 HydrophobicContact CD2-CD1 3.82Å; L390-W437 HydrophobicContact CD2-CD2 3.74Å; L390-W437 HydrophobicContact CD2-CE3 3.93Å; L390-W437 HydrophobicContact CD2-CG 4.32Å; L390-W437 HydrophobicContact CD2-CH2 4.15Å; L390-W437 HydrophobicContact CD2-CZ2 3.93Å; L390-W437 HydrophobicContact CD2-CZ3 4.14Å
391	D	90.9	Very high	89.3	Confident	109 Å²	109	38.3 Å²	38.3	58%	0.583	21%	0.207	S	C	*	.	S	Bend	trans	-53	-49.6	172.3	-71.5	-23.6	0	0	0	108.9	W416	D391-W416 VanDerWaalsContact C-CH2 3.45Å; D391-W416 WeakPolarHBondContact O-CH2 3.42Å; D391-W416 WeakPolarHBondContact O-CZ2 3.36Å
392	S	91.5	Very high	90	Very high	15 Å²	15	35.3 Å²	35.3	11%	0.105	19%	0.191	C	C	.	.	S	Bend	trans	-119.2	141	-178.9	60	0	0	0	0	114.8	L390 R394 C413 W416	L390-S392 WeakPolarHBondContact CB-O 3.25Å; L390-S392 PolarHBondContact O-N 3.09Å; S392-R394 PolarHBondContact O-N 2.68Å; S392-C413 PolarHBondContact OG-SG 3.05Å; S392-W416 VanDerWaalsContact CA-CZ2 3.5Å; S392-W416 VanDerWaalsContact CB-CZ3 3.49Å
393	P	93	Very high	90	Very high	12 Å²	12	40.9 Å²	40.9	8%	0.078	22%	0.215	C	C	.	.			trans	-55.5	137.5	171.9	-25.7	33.8	0	0	0	113	L370 L371 N372 L414 W416	L370-P393 HydrophobicContact CB-CB 3.61Å; L370-P393 WeakPolarHBondContact O-CB 3.09Å; L371-P393 WeakPolarHBondContact O-CA 3.39Å; N372-P393 HydrophobicContact CB-CB 4.45Å; N372-P393 HydrophobicContact CB-CG 4.13Å; P393-L414 HydrophobicContact CB-CB 4.04Å; P393-L414 HydrophobicContact CB-CD2 4.32Å; P393-L414 HydrophobicContact CG-CB 4.31Å; P393-L414 HydrophobicContact CG-CD2 3.95Å; P393-L414 PolarHBondContact O-N 3.06Å; P393-W416 VanDerWaalsContact CD-CZ2 3.41Å
394	R	94.4	Very high	89.8	Confident	5 Å²	5	42.1 Å²	42.1	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.6	-171.8	-170.6	-175	-70	-86.4	-1.5	112.8	G363 L371 L390 S392 H397 G410 Y412 S426	G363-R394 PolarHBondContact N-O 2.86Å; L371-R394 PolarHBondContact O-N 3.01Å; L390-R394 HydrophobicContact CD1-CB 3.92Å; S392-R394 PolarHBondContact O-N 2.68Å; R394-H397 HydrophobicContact CG-CB 3.99Å; R394-G410 WeakPolarHBondContact CD-O 3.47Å; R394-G410 PolarHBondContact NH1-O 2.84Å; R394-Y412 VanDerWaalsContact CA-O 3.25Å; R394-Y412 WeakPolarHBondContact CA-O 3.4Å; R394-Y412 WeakPolarHBondContact CG-O 3.5Å; R394-S426 PolarHBondContact NH1-OG 3.28Å; R394-S426 PolarHBondContact NH2-OG 2.87Å
395	S	92.4	Very high	89.9	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	168.2	174.3	60.7	0	0	0	0	111.4	H397 G411 Y412	S395-H397 PolarHBondContact O-N 3.31Å; S395-G411 CarbonylContact O-C 3.54Å; S395-G411 VanDerWaalsContact O-CA 3.3Å; S395-G411 WeakPolarHBondContact O-CA 3.26Å; S395-Y412 PolarHBondContact N-O 3Å; S395-Y412 VanDerWaalsContact N-O 3.14Å; S395-Y412 PolarHBondContact O-N 3.49Å
396	H	91.7	Very high	90.2	Very high	29 Å²	29	42 Å²	42	13%	0.134	22%	0.217	C	C	.	.	S	Bend	trans	56.3	23.3	179.1	-60.7	-103.1	0	0	0	114.8	H348 Y412 V449 D450	H348-H396 AromaticContact CD2-CE1 3.44Å; H348-H396 PolarHBondContact CD2-CE1 2.88Å; H348-H396 VanDerWaalsContact CD2-CE1 3.44Å; H348-H396 AromaticContact CD2-NE2 3.34Å; H348-H396 PolarHBondContact CD2-NE2 3.25Å; H348-H396 VanDerWaalsContact CD2-NE2 3.34Å; H348-H396 AromaticContact CE1-CE1 3.18Å; H348-H396 PolarHBondContact CE1-CE1 3.17Å; H348-H396 AromaticContact CE1-ND1 3.69Å; H348-H396 AromaticContact CE1-NE2 3.9Å; H348-H396 AromaticContact CG-CD2 3.81Å; H348-H396 AromaticContact CG-CE1 3.37Å; H348-H396 AromaticContact CG-CG 3.98Å; H348-H396 AromaticContact CG-ND1 3.71Å; H348-H396 AromaticContact CG-NE2 3.42Å; H348-H396 AromaticContact ND1-CE1 3.21Å; H348-H396 PolarHBondContact ND1-CE1 3.04Å; H348-H396 AromaticContact ND1-CG 4Å; H348-H396 AromaticContact ND1-ND1 3.35Å; H348-H396 PolarHBondContact ND1-ND1 2.72Å; H348-H396 AromaticContact ND1-NE2 3.78Å; H348-H396 AromaticContact NE2-CE1 3.36Å; H348-H396 PolarHBondContact NE2-CE1 3.25Å; H348-H396 AromaticContact NE2-NE2 3.71Å; H348-H396 PolarHBondContact O-N 3.15Å; H396-Y412 HydrophobicContact CB-CD2 4.2Å; H396-Y412 AromaticContact CD2-CD2 3.69Å; H396-V449 HydrophobicContact CB-CG1 3.54Å; H396-D450 IonicContact CE1-OD1 2.77Å; H396-D450 IonicContact CE1-OD2 2.98Å; H396-D450 IonicContact CG-OD1 2.81Å; H396-D450 IonicContact CG-OD2 3.95Å; H396-D450 IonicContact ND1-OD1 3.92Å; H396-D450 PolarHBondContact ND1-OD1 3.31Å; H396-D450 IonicContact ND1-OD2 3.61Å; H396-D450 PolarHBondContact ND1-OD2 3.29Å; H396-D450 PolarHBondContact O-N 3.07Å; H396-D450 VanDerWaalsContact O-N 3.11Å
397	H	94	Very high	90.6	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	19%	0.193	C	C	.	.			trans	-92.9	158.7	179.3	61.4	-86.9	0	0	0	110.4	G350 V361 R394 S395 V408 G410	G350-H397 PolarHBondContact N-NE2 3.02Å; V361-H397 PolarHBondContact O-CE1 2.64Å; V361-H397 PolarHBondContact O-NE2 2.8Å; R394-H397 HydrophobicContact CG-CB 3.99Å; S395-H397 PolarHBondContact O-N 3.31Å; H397-V408 HydrophobicContact CB-CG1 4.04Å; H397-G410 VanDerWaalsContact CB-O 3.25Å; H397-G410 WeakPolarHBondContact CB-O 3.47Å
398	T	94.2	Very high	90.8	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.104	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.1	172.3	-45.3	0	0	0	0	110.2	I400 V408 F409 T451 A453	T398-I400 HydrophobicContact CG2-CD1 4.46Å; T398-I400 HydrophobicContact CG2-CG1 4.31Å; T398-V408 CarbonylContact O-C 3.43Å; T398-V408 WeakPolarHBondContact O-CA 3.44Å; T398-F409 PolarHBondContact N-O 2.64Å; T398-F409 PolarHBondContact O-N 3.39Å; T398-T451 VanDerWaalsContact OG1-CG2 3.22Å; T398-T451 WeakPolarHBondContact OG1-CG2 3.16Å; T398-T451 PolarHBondContact OG1-O 3.14Å; T398-T451 VanDerWaalsContact OG1-O 3.04Å; T398-A453 HydrophobicContact CG2-CB 3.51Å
399	L	95.5	Very high	91	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.5	175.5	-174.5	71.8	0	0	0	109.4	A352 V361 L406 Y407 V408 W437	A352-L399 HydrophobicContact CB-CB 4.42Å; A352-L399 HydrophobicContact CB-CD2 3.74Å; A352-L399 HydrophobicContact CB-CG 3.69Å; V361-L399 HydrophobicContact CB-CD1 4.34Å; V361-L399 HydrophobicContact CB-CD2 4Å; V361-L399 HydrophobicContact CG2-CD1 4.04Å; V361-L399 HydrophobicContact CG2-CD2 3.69Å; L399-L406 HydrophobicContact CD1-CB 4.13Å; L399-Y407 WeakPolarHBondContact CA-O 3.07Å; L399-V408 HydrophobicContact CD1-CG2 3.45Å; L399-V408 VanDerWaalsContact CD1-CG2 3.45Å; L399-W437 HydrophobicContact CD1-CH2 4.42Å
400	I	94	Very high	91	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.067	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.1	175.5	-69.8	179.2	0	0	0	109.7	T398 I402 L406 Y407 F409 A453 L455 I462	T398-I400 HydrophobicContact CG2-CD1 4.46Å; T398-I400 HydrophobicContact CG2-CG1 4.31Å; I400-I402 HydrophobicContact CG2-CG1 3.98Å; I400-L406 CarbonylContact O-C 3.48Å; I400-L406 WeakPolarHBondContact O-CA 3.35Å; I400-Y407 PolarHBondContact N-O 2.67Å; I400-Y407 PolarHBondContact O-N 3.38Å; I400-F409 HydrophobicContact CB-CE2 4.41Å; I400-A453 HydrophobicContact CD1-CB 3.73Å; I400-L455 HydrophobicContact CG2-CB 4.01Å; I400-I462 HydrophobicContact CB-CD1 4.11Å; I400-I462 HydrophobicContact CD1-CB 4.26Å; I400-I462 HydrophobicContact CD1-CD1 3.91Å; I400-I462 HydrophobicContact CD1-CG1 3.93Å; I400-I462 HydrophobicContact CD1-CG2 3.34Å; I400-I462 HydrophobicContact CG2-CD1 3.82Å; I400-I462 HydrophobicContact CG2-CG1 4.13Å
401	C	89.9	Confident	90.9	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.088	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.3	171.3	-171.7	0	0	0	0	109.4	A352 A353 Y405 L406 L455	A352-C401 HydrophobicContact CB-CB 3.94Å; A353-C401 WeakPolarHBondContact O-CB 3.42Å; C401-Y405 WeakPolarHBondContact CA-O 3.49Å; C401-L406 HydrophobicContact CB-CD2 3.6Å; C401-L455 VanDerWaalsContact O-CD2 3.32Å; C401-L455 WeakPolarHBondContact O-CD2 3.36Å
402	I	84.5	Confident	90.9	Very high	25 Å²	25	29 Å²	29	13%	0.128	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.5	169.1	-56.2	-177.3	0	0	0	106.8	I400 N404 Y405 Y407 L455 I462 P486	I400-I402 HydrophobicContact CG2-CG1 3.98Å; I402-N404 PolarHBondContact O-N 2.96Å; I402-Y405 PolarHBondContact N-O 2.98Å; I402-Y405 PolarHBondContact O-N 2.95Å; I402-Y407 HydrophobicContact CB-CD2 4.42Å; I402-Y407 HydrophobicContact CB-CE2 4.08Å; I402-Y407 HydrophobicContact CD1-CD2 4.27Å; I402-Y407 HydrophobicContact CD1-CE2 4.15Å; I402-Y407 HydrophobicContact CG1-CD2 4.23Å; I402-Y407 HydrophobicContact CG1-CE2 4.26Å; I402-L455 HydrophobicContact CD1-CD1 4Å; I402-L455 HydrophobicContact CG1-CD1 3.84Å; I402-L455 HydrophobicContact CG1-CD2 4.3Å; I402-I462 HydrophobicContact CD1-CD1 3.71Å; I402-I462 HydrophobicContact CD1-CG1 3.98Å; I402-I462 HydrophobicContact CG1-CD1 4.46Å; I402-P486 HydrophobicContact CD1-CG 3.9Å
403	E	74.4	Confident	90.9	Very high	163 Å²	163	29.3 Å²	29.3	76%	0.762	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	-106.1	-178.8	-57.7	-176.7	164.7	0	0	112.3
404	N	76.4	Confident	90.8	Very high	93 Å²	93	30.1 Å²	30.1	50%	0.497	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	9.4	-177.1	-66.8	-27.6	0	0	0	113.9	I402 I432	I402-N404 PolarHBondContact O-N 2.96Å; N404-I432 WeakPolarHBondContact O-CB 3.32Å; N404-I432 WeakPolarHBondContact O-CD1 3.49Å; N404-I432 WeakPolarHBondContact O-CG1 3.19Å; N404-I432 PolarHBondContact O-N 3.37Å
405	Y	86.8	Confident	90.4	Very high	104 Å²	104	33.2 Å²	33.2	41%	0.408	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140	-178.5	-63.9	-86.2	0	0	0	111.4	C401 I402 Y430 D431	C401-Y405 WeakPolarHBondContact CA-O 3.49Å; I402-Y405 PolarHBondContact N-O 2.98Å; I402-Y405 PolarHBondContact O-N 2.95Å; Y405-Y430 VanDerWaalsContact CA-O 3.25Å; Y405-Y430 WeakPolarHBondContact CA-O 3.5Å; Y405-D431 HydrophobicContact CD1-CB 4.1Å; Y405-D431 HydrophobicContact CE1-CB 3.79Å
406	L	93.4	Very high	90	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.6	165.7	-50.6	170	0	0	0	109.5	A352 Y359 L399 I400 C401 T429 Y430 W437	A352-L406 HydrophobicContact CB-CD2 4.28Å; Y359-L406 HydrophobicContact CD1-CD1 3.73Å; Y359-L406 HydrophobicContact CD2-CD1 4.11Å; Y359-L406 HydrophobicContact CD2-CD2 3.56Å; Y359-L406 HydrophobicContact CD2-CG 4.39Å; Y359-L406 HydrophobicContact CE1-CD1 4.25Å; Y359-L406 HydrophobicContact CE2-CD2 3.94Å; Y359-L406 HydrophobicContact CG-CD1 3.64Å; Y359-L406 HydrophobicContact CG-CD2 3.95Å; Y359-L406 HydrophobicContact CG-CG 4.4Å; L399-L406 HydrophobicContact CD1-CB 4.13Å; I400-L406 CarbonylContact O-C 3.48Å; I400-L406 WeakPolarHBondContact O-CA 3.35Å; C401-L406 HydrophobicContact CB-CD2 3.6Å; L406-T429 CarbonylContact O-C 3.58Å; L406-T429 VanDerWaalsContact O-CA 3.28Å; L406-T429 WeakPolarHBondContact O-CA 3.41Å; L406-Y430 HydrophobicContact CB-CD1 4.4Å; L406-Y430 HydrophobicContact CD1-CD1 3.66Å; L406-Y430 HydrophobicContact CD1-CE1 4.2Å; L406-Y430 HydrophobicContact CD1-CG 4.34Å; L406-Y430 HydrophobicContact CG-CD1 3.97Å; L406-Y430 PolarHBondContact N-O 3.49Å; L406-Y430 PolarHBondContact O-N 3.28Å; L406-W437 HydrophobicContact CB-CH2 4.37Å; L406-W437 HydrophobicContact CD1-CH2 4.46Å
407	Y	94.8	Very high	89.8	Confident	30 Å²	30	43.5 Å²	43.5	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.9	175.8	-67.9	-100.7	0	0	0	109	L399 I400 I402 F409 I427 L428 T429 P486	L399-Y407 WeakPolarHBondContact CA-O 3.07Å; I400-Y407 PolarHBondContact N-O 2.67Å; I400-Y407 PolarHBondContact O-N 3.38Å; I402-Y407 HydrophobicContact CB-CD2 4.42Å; I402-Y407 HydrophobicContact CB-CE2 4.08Å; I402-Y407 HydrophobicContact CD1-CD2 4.27Å; I402-Y407 HydrophobicContact CD1-CE2 4.15Å; I402-Y407 HydrophobicContact CG1-CD2 4.23Å; I402-Y407 HydrophobicContact CG1-CE2 4.26Å; Y407-F409 HydrophobicContact CD1-CZ 4.15Å; Y407-F409 HydrophobicContact CG-CE2 4.31Å; Y407-F409 HydrophobicContact CG-CZ 4.12Å; Y407-I427 HydrophobicContact CD1-CG2 4.3Å; Y407-L428 CarbonylContact C-O 3.56Å; Y407-L428 WeakPolarHBondContact CA-O 3.35Å; Y407-T429 HydrophobicContact CD1-CG2 3.61Å; Y407-T429 HydrophobicContact CE1-CG2 3.44Å; Y407-T429 VanDerWaalsContact CE1-CG2 3.44Å; Y407-T429 HydrophobicContact CG-CG2 4.49Å; Y407-P486 HydrophobicContact CE1-CB 4.21Å
408	V	96.3	Very high	89.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.1	172.1	171.7	0	0	0	0	108.3	V361 H397 T398 L399 I427 L428 W437	V361-V408 HydrophobicContact CG1-CG2 4.14Å; H397-V408 HydrophobicContact CB-CG1 4.04Å; T398-V408 CarbonylContact O-C 3.43Å; T398-V408 WeakPolarHBondContact O-CA 3.44Å; L399-V408 HydrophobicContact CD1-CG2 3.45Å; L399-V408 VanDerWaalsContact CD1-CG2 3.45Å; V408-I427 CarbonylContact O-C 3.39Å; V408-I427 VanDerWaalsContact O-CA 3.31Å; V408-I427 WeakPolarHBondContact O-CA 3.45Å; V408-L428 HydrophobicContact CB-CB 4.11Å; V408-L428 PolarHBondContact N-O 2.95Å; V408-L428 PolarHBondContact O-N 3.29Å; V408-W437 HydrophobicContact CB-CZ3 4.4Å; V408-W437 HydrophobicContact CG2-CH2 3.69Å; V408-W437 HydrophobicContact CG2-CZ3 3.53Å
409	F	95.5	Very high	88.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.9	-178.9	-60.3	-89.1	0	0	0	110.4	T398 I400 Y407 I427 L444 I462 F464 Y484	T398-F409 PolarHBondContact N-O 2.64Å; T398-F409 PolarHBondContact O-N 3.39Å; I400-F409 HydrophobicContact CB-CE2 4.41Å; Y407-F409 HydrophobicContact CD1-CZ 4.15Å; Y407-F409 HydrophobicContact CG-CE2 4.31Å; Y407-F409 HydrophobicContact CG-CZ 4.12Å; F409-I427 HydrophobicContact CD1-CB 4.39Å; F409-I427 HydrophobicContact CD1-CD1 3.88Å; F409-I427 HydrophobicContact CD1-CG1 3.73Å; F409-I427 HydrophobicContact CD1-CG2 3.9Å; F409-I427 HydrophobicContact CE1-CD1 3.85Å; F409-I427 HydrophobicContact CE1-CG1 4.09Å; F409-I427 HydrophobicContact CE1-CG2 3.7Å; F409-I427 HydrophobicContact CZ-CG2 4.35Å; F409-L444 HydrophobicContact CB-CD1 4.25Å; F409-L444 HydrophobicContact CD1-CD2 4.06Å; F409-I462 HydrophobicContact CE2-CD1 3.62Å; F409-I462 HydrophobicContact CZ-CD1 3.48Å; F409-I462 VanDerWaalsContact CZ-CD1 3.48Å; F409-F464 HydrophobicContact CB-CE1 4.02Å; F409-F464 HydrophobicContact CB-CZ 4.08Å; F409-F464 HydrophobicContact CD1-CE1 4.38Å; F409-F464 HydrophobicContact CD1-CE2 4.45Å; F409-F464 AromaticContact CD1-CZ 3.62Å; F409-F464 HydrophobicContact CD1-CZ 3.62Å; F409-F464 HydrophobicContact CD2-CE1 4.39Å; F409-F464 AromaticContact CD2-CZ 3.87Å; F409-F464 HydrophobicContact CD2-CZ 3.87Å; F409-F464 HydrophobicContact CE1-CE2 4.44Å; F409-F464 AromaticContact CE1-CZ 3.93Å; F409-F464 HydrophobicContact CE1-CZ 3.93Å; F409-F464 HydrophobicContact CE2-CZ 4.15Å; F409-F464 HydrophobicContact CG-CE1 4.04Å; F409-F464 AromaticContact CG-CZ 3.59Å; F409-F464 HydrophobicContact CG-CZ 3.59Å; F409-F464 HydrophobicContact CZ-CZ 4.19Å; F409-Y484 AromaticContact CE1-CD1 3.74Å; F409-Y484 HydrophobicContact CE1-CD1 3.74Å; F409-Y484 AromaticContact CE1-CE1 3.7Å; F409-Y484 HydrophobicContact CE1-CE1 3.7Å; F409-Y484 HydrophobicContact CE1-CG 4.43Å; F409-Y484 AromaticContact CZ-CD1 3.78Å; F409-Y484 HydrophobicContact CZ-CD1 3.78Å; F409-Y484 AromaticContact CZ-CE1 3.75Å; F409-Y484 HydrophobicContact CZ-CE1 3.75Å
410	G	93.4	Very high	88.4	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	30%	0.295	C	S	.	.			trans	56.5	-147.9	169.8	0	0	0	0	0	114.4	R394 H397 S424 S426	R394-G410 WeakPolarHBondContact CD-O 3.47Å; R394-G410 PolarHBondContact NH1-O 2.84Å; H397-G410 VanDerWaalsContact CB-O 3.25Å; H397-G410 WeakPolarHBondContact CB-O 3.47Å; G410-S424 VanDerWaalsContact CA-O 3.24Å; G410-S424 WeakPolarHBondContact CA-O 3.35Å; G410-S426 PolarHBondContact N-O 3.17Å
411	G	92.1	Very high	88.1	Confident	1 Å²	1	60 Å²	60	1%	0.01	30%	0.302	C	S	.	.			trans	88.5	174.8	-174	0	0	0	0	0	113.4	S395 S424 L448	S395-G411 CarbonylContact O-C 3.54Å; S395-G411 VanDerWaalsContact O-CA 3.3Å; S395-G411 WeakPolarHBondContact O-CA 3.26Å; G411-S424 WeakPolarHBondContact O-CB 3.41Å; G411-S424 PolarHBondContact O-N 3.05Å; G411-L448 PolarHBondContact N-O 2.95Å
412	Y	91.1	Very high	88.1	Confident	59 Å²	59	61.5 Å²	61.5	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.7	174.2	-65.6	-60.9	0	0	0	109.7	L370 R394 S395 H396 S421 P422 A423 V449	L370-Y412 WeakPolarHBondContact CD2-O 3.08Å; R394-Y412 VanDerWaalsContact CA-O 3.25Å; R394-Y412 WeakPolarHBondContact CA-O 3.4Å; R394-Y412 WeakPolarHBondContact CG-O 3.5Å; S395-Y412 PolarHBondContact N-O 3Å; S395-Y412 VanDerWaalsContact N-O 3.14Å; S395-Y412 PolarHBondContact O-N 3.49Å; H396-Y412 HydrophobicContact CB-CD2 4.2Å; H396-Y412 AromaticContact CD2-CD2 3.69Å; Y412-S421 VanDerWaalsContact CD1-O 3.25Å; Y412-S421 WeakPolarHBondContact CD1-O 3.05Å; Y412-P422 WeakPolarHBondContact CA-O 3.24Å; Y412-A423 HydrophobicContact CE1-CB 4.38Å; Y412-V449 HydrophobicContact CD1-CG2 4.01Å; Y412-V449 HydrophobicContact CD2-CG1 3.82Å; Y412-V449 HydrophobicContact CD2-CG2 4.43Å; Y412-V449 HydrophobicContact CE1-CG1 4.32Å; Y412-V449 HydrophobicContact CE1-CG2 3.73Å; Y412-V449 HydrophobicContact CE2-CB 4.35Å; Y412-V449 HydrophobicContact CE2-CG1 3.3Å; Y412-V449 HydrophobicContact CE2-CG2 4.2Å; Y412-V449 HydrophobicContact CG-CG2 4.34Å
413	C	92	Very high	88.4	Confident	22 Å²	22	61 Å²	61	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.1	-174.1	-176.5	0	0	0	0	109.6	S392 N415 S421 P422	S392-C413 PolarHBondContact OG-SG 3.05Å; C413-N415 PolarHBondContact O-N 3.31Å; C413-S421 WeakPolarHBondContact O-CA 3.48Å; C413-P422 PolarHBondContact N-O 3.47Å; C413-P422 VanDerWaalsContact N-O 3.1Å; C413-P422 WeakPolarHBondContact O-CD 3.47Å
414	L	89.2	Confident	89.2	Confident	28 Å²	28	54 Å²	54	15%	0.147	28%	0.28	C	S	.	.			trans	-64.9	126.1	-179.6	-177.4	68.4	0	0	0	110.6	L370 P393 S421	L370-L414 HydrophobicContact CD2-CB 4.42Å; P393-L414 HydrophobicContact CB-CB 4.04Å; P393-L414 HydrophobicContact CB-CD2 4.32Å; P393-L414 HydrophobicContact CG-CB 4.31Å; P393-L414 HydrophobicContact CG-CD2 3.95Å; P393-L414 PolarHBondContact O-N 3.06Å; L414-S421 WeakPolarHBondContact CD1-OG 3.3Å
415	N	87.1	Confident	90	Very high	70 Å²	70	52 Å²	52	37%	0.374	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-100.1	101.5	168.1	-179.9	-12	0	0	0	109.7	C413 A417 T418 N419 Y420	C413-N415 PolarHBondContact O-N 3.31Å; N415-A417 PolarHBondContact O-N 3.17Å; N415-A417 WeakPolarHBondContact OD1-CB 3.25Å; N415-A417 PolarHBondContact OD1-N 2.97Å; N415-T418 WeakPolarHBondContact CB-OG1 3.34Å; N415-T418 PolarHBondContact O-N 2.72Å; N415-T418 PolarHBondContact O-OG1 3.3Å; N415-N419 WeakPolarHBondContact O-CA 3.46Å; N415-N419 PolarHBondContact O-N 3.48Å; N415-Y420 PolarHBondContact N-O 3.32Å
416	W	84.1	Confident	90.3	Very high	154 Å²	154	48 Å²	48	58%	0.583	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.5	-178.8	-58	-99.6	0	0	0	114.6	D391 S392 P393 T418	D391-W416 VanDerWaalsContact C-CH2 3.45Å; D391-W416 WeakPolarHBondContact O-CH2 3.42Å; D391-W416 WeakPolarHBondContact O-CZ2 3.36Å; S392-W416 VanDerWaalsContact CA-CZ2 3.5Å; S392-W416 VanDerWaalsContact CB-CZ3 3.49Å; P393-W416 VanDerWaalsContact CD-CZ2 3.41Å; W416-T418 VanDerWaalsContact C-N 3.3Å; W416-T418 PolarHBondContact O-N 2.58Å
417	A	87	Confident	90.4	Very high	94 Å²	94	48.1 Å²	48.1	78%	0.777	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.2	178.9	0	0	0	0	0	112	N415	N415-A417 PolarHBondContact O-N 3.17Å; N415-A417 WeakPolarHBondContact OD1-CB 3.25Å; N415-A417 PolarHBondContact OD1-N 2.97Å
418	T	86.7	Confident	90.4	Very high	88 Å²	88	47.1 Å²	47.1	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-13.6	-177.3	58.2	0	0	0	0	113.6	N415 W416 Y420	N415-T418 WeakPolarHBondContact CB-OG1 3.34Å; N415-T418 PolarHBondContact O-N 2.72Å; N415-T418 PolarHBondContact O-OG1 3.3Å; W416-T418 VanDerWaalsContact C-N 3.3Å; W416-T418 PolarHBondContact O-N 2.58Å; T418-Y420 PolarHBondContact O-N 3.22Å; T418-Y420 PolarHBondContact OG1-N 3.39Å
419	N	83.1	Confident	90.3	Very high	129 Å²	129	48.2 Å²	48.2	69%	0.69	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	27.1	-167.9	-147	37.3	0	0	0	113.6	N415	N415-N419 WeakPolarHBondContact O-CA 3.46Å; N415-N419 PolarHBondContact O-N 3.48Å
420	Y	85.2	Confident	90.3	Very high	157 Å²	157	48.1 Å²	48.1	62%	0.616	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-109.8	149.2	176.1	-175.5	-113	0	0	0	109.2	N415 T418 P422	N415-Y420 PolarHBondContact N-O 3.32Å; T418-Y420 PolarHBondContact O-N 3.22Å; T418-Y420 PolarHBondContact OG1-N 3.39Å; Y420-P422 VanDerWaalsContact C-CD 3.48Å; Y420-P422 HydrophobicContact CD1-CB 4.11Å; Y420-P422 HydrophobicContact CD1-CG 4.31Å; Y420-P422 HydrophobicContact CE1-CB 3.88Å; Y420-P422 VanDerWaalsContact O-CD 3.24Å; Y420-P422 WeakPolarHBondContact O-CD 2.99Å
421	S	88.1	Confident	89.9	Confident	28 Å²	28	49.4 Å²	49.4	20%	0.196	27%	0.266	C	S	.	.			trans	-117.9	74.4	-175.5	-54.5	0	0	0	0	110.2	Y412 C413 L414	Y412-S421 VanDerWaalsContact CD1-O 3.25Å; Y412-S421 WeakPolarHBondContact CD1-O 3.05Å; C413-S421 WeakPolarHBondContact O-CA 3.48Å; L414-S421 WeakPolarHBondContact CD1-OG 3.3Å
422	P	89.4	Confident	89.4	Confident	43 Å²	43	50.5 Å²	50.5	28%	0.279	27%	0.272	S	S	.	.			trans	-65.1	158.9	179.1	28.7	-35.6	0	0	0	111.5	Y412 C413 Y420	Y412-P422 WeakPolarHBondContact CA-O 3.24Å; C413-P422 PolarHBondContact N-O 3.47Å; C413-P422 VanDerWaalsContact N-O 3.1Å; C413-P422 WeakPolarHBondContact O-CD 3.47Å; Y420-P422 VanDerWaalsContact C-CD 3.48Å; Y420-P422 HydrophobicContact CD1-CB 4.11Å; Y420-P422 HydrophobicContact CD1-CG 4.31Å; Y420-P422 HydrophobicContact CE1-CB 3.88Å; Y420-P422 VanDerWaalsContact O-CD 3.24Å; Y420-P422 WeakPolarHBondContact O-CD 2.99Å
423	A	90.4	Very high	88.7	Confident	14 Å²	14	52.7 Å²	52.7	12%	0.116	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-62.3	142.7	166.4	0	0	0	0	0	109.4	Y412 A447 V449 M475	Y412-A423 HydrophobicContact CE1-CB 4.38Å; A423-A447 HydrophobicContact CB-CB 3.84Å; A423-V449 HydrophobicContact CB-CG2 3.7Å; A423-M475 HydrophobicContact CB-CE 3.94Å; A423-M475 HydrophobicContact CB-SD 4.22Å
424	S	91.7	Very high	88.4	Confident	18 Å²	18	55.3 Å²	55.3	13%	0.126	31%	0.31	C	S	.	.			trans	-115.5	145.1	-177.4	-166.5	0	0	0	0	112.4	G410 G411 S426 A447 L448	G410-S424 VanDerWaalsContact CA-O 3.24Å; G410-S424 WeakPolarHBondContact CA-O 3.35Å; G411-S424 WeakPolarHBondContact O-CB 3.41Å; G411-S424 PolarHBondContact O-N 3.05Å; S424-S426 WeakPolarHBondContact OG-CB 3.16Å; S424-S426 PolarHBondContact OG-N 3.4Å; S424-S426 VanDerWaalsContact OG-N 3.08Å; S424-S426 PolarHBondContact OG-OG 2.77Å; S424-A447 WeakPolarHBondContact O-CA 3.41Å; S424-L448 PolarHBondContact O-N 2.84Å
425	D	92.7	Very high	88.3	Confident	49 Å²	49	56.7 Å²	56.7	26%	0.262	32%	0.317	S	S	.	.			trans	-95.7	-1	166.1	70.6	-10.1	0	0	0	112.5	K443 L444	D425-K443 VanDerWaalsContact CG-NZ 3.27Å; D425-K443 IonicContact OD1-NZ 3.82Å; D425-K443 PolarHBondContact OD1-NZ 2.91Å; D425-K443 IonicContact OD2-NZ 3.18Å; D425-K443 PolarHBondContact OD2-NZ 2.97Å; D425-L444 HydrophobicContact CB-CB 4.26Å; D425-L444 WeakPolarHBondContact O-CB 3.44Å; D425-L444 PolarHBondContact O-N 3.25Å
426	S	93.8	Very high	88.6	Confident	21 Å²	21	59.5 Å²	59.5	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144	-174.1	66.3	0	0	0	0	112.8	R394 G410 S424	R394-S426 PolarHBondContact NH1-OG 3.28Å; R394-S426 PolarHBondContact NH2-OG 2.87Å; G410-S426 PolarHBondContact N-O 3.17Å; S424-S426 WeakPolarHBondContact OG-CB 3.16Å; S424-S426 PolarHBondContact OG-N 3.4Å; S424-S426 VanDerWaalsContact OG-N 3.08Å; S424-S426 PolarHBondContact OG-OG 2.77Å
427	I	94.7	Very high	89.1	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.9	169.9	-54.9	174.1	0	0	0	108.5	Y407 V408 F409 S440 H442 L444 Y484 F494	Y407-I427 HydrophobicContact CD1-CG2 4.3Å; V408-I427 CarbonylContact O-C 3.39Å; V408-I427 VanDerWaalsContact O-CA 3.31Å; V408-I427 WeakPolarHBondContact O-CA 3.45Å; F409-I427 HydrophobicContact CD1-CB 4.39Å; F409-I427 HydrophobicContact CD1-CD1 3.88Å; F409-I427 HydrophobicContact CD1-CG1 3.73Å; F409-I427 HydrophobicContact CD1-CG2 3.9Å; F409-I427 HydrophobicContact CE1-CD1 3.85Å; F409-I427 HydrophobicContact CE1-CG1 4.09Å; F409-I427 HydrophobicContact CE1-CG2 3.7Å; F409-I427 HydrophobicContact CZ-CG2 4.35Å; I427-S440 WeakPolarHBondContact O-CB 3.4Å; I427-S440 PolarHBondContact O-N 3.06Å; I427-H442 HydrophobicContact CD1-CB 4Å; I427-L444 HydrophobicContact CD1-CD2 4.4Å; I427-L444 HydrophobicContact CD1-CG 4.28Å; I427-L444 HydrophobicContact CG1-CG 4.13Å; I427-Y484 HydrophobicContact CD1-CE2 4.38Å; I427-F494 HydrophobicContact CD1-CZ 4.04Å
428	L	95.3	Very high	89.4	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.2	173.3	-52	173	0	0	0	109.8	L390 Y407 V408 W437 N438 N439	L390-L428 HydrophobicContact CD2-CD1 3.82Å; Y407-L428 CarbonylContact C-O 3.56Å; Y407-L428 WeakPolarHBondContact CA-O 3.35Å; V408-L428 HydrophobicContact CB-CB 4.11Å; V408-L428 PolarHBondContact N-O 2.95Å; V408-L428 PolarHBondContact O-N 3.29Å; L428-W437 HydrophobicContact CB-CE3 3.98Å; L428-W437 HydrophobicContact CB-CZ3 4.33Å; L428-N438 WeakPolarHBondContact CA-O 3.48Å; L428-N439 WeakPolarHBondContact CD2-OD1 3.41Å
429	T	94.7	Very high	89.7	Confident	23 Å²	23	53.4 Å²	53.4	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.4	174.3	60.7	0	0	0	0	109.7	L406 Y407 W437 N438	L406-T429 CarbonylContact O-C 3.58Å; L406-T429 VanDerWaalsContact O-CA 3.28Å; L406-T429 WeakPolarHBondContact O-CA 3.41Å; Y407-T429 HydrophobicContact CD1-CG2 3.61Å; Y407-T429 HydrophobicContact CE1-CG2 3.44Å; Y407-T429 VanDerWaalsContact CE1-CG2 3.44Å; Y407-T429 HydrophobicContact CG-CG2 4.49Å; T429-W437 CarbonylContact O-C 3.54Å; T429-W437 WeakPolarHBondContact O-CA 3.37Å; T429-N438 PolarHBondContact N-O 2.85Å; T429-N438 PolarHBondContact O-N 3.18Å
430	Y	94	Very high	90	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.5	174	173.6	-99.1	0	0	0	109.4	M387 Y405 L406 I432 N435 K436 W437	M387-Y430 HydrophobicContact SD-CE1 4.23Å; Y405-Y430 VanDerWaalsContact CA-O 3.25Å; Y405-Y430 WeakPolarHBondContact CA-O 3.5Å; L406-Y430 HydrophobicContact CB-CD1 4.4Å; L406-Y430 HydrophobicContact CD1-CD1 3.66Å; L406-Y430 HydrophobicContact CD1-CE1 4.2Å; L406-Y430 HydrophobicContact CD1-CG 4.34Å; L406-Y430 HydrophobicContact CG-CD1 3.97Å; L406-Y430 PolarHBondContact N-O 3.49Å; L406-Y430 PolarHBondContact O-N 3.28Å; Y430-I432 HydrophobicContact CD1-CG1 3.84Å; Y430-I432 HydrophobicContact CE1-CB 4.19Å; Y430-I432 HydrophobicContact CE1-CG1 3.74Å; Y430-N435 WeakPolarHBondContact CE2-OD1 3.47Å; Y430-N435 WeakPolarHBondContact OH-CA 3.5Å; Y430-N435 PolarHBondContact OH-OD1 2.99Å; Y430-K436 WeakPolarHBondContact CA-O 3.09Å; Y430-K436 WeakPolarHBondContact CD2-O 3.25Å; Y430-W437 VanDerWaalsContact CB-CE3 3.5Å; Y430-W437 VanDerWaalsContact CB-CZ3 3.47Å; Y430-W437 AromaticContact CD2-CD1 3.94Å; Y430-W437 AromaticContact CD2-CD2 3.83Å; Y430-W437 HydrophobicContact CD2-CD2 3.83Å; Y430-W437 AromaticContact CD2-CE2 3.63Å; Y430-W437 HydrophobicContact CD2-CE3 4.49Å; Y430-W437 AromaticContact CD2-CG 3.99Å; Y430-W437 HydrophobicContact CD2-CG 3.99Å; Y430-W437 HydrophobicContact CD2-CZ2 4.11Å; Y430-W437 AromaticContact CD2-NE1 3.72Å; Y430-W437 HydrophobicContact CG-CD2 4.2Å; Y430-W437 HydrophobicContact CG-CE3 4.43Å; Y430-W437 HydrophobicContact CG-CH2 4.32Å; Y430-W437 HydrophobicContact CG-CZ2 4.12Å; Y430-W437 HydrophobicContact CG-CZ3 4.48Å
431	D	84.9	Confident	90.1	Very high	28 Å²	28	49 Å²	49	15%	0.15	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.9	172.6	173	0.4	0	0	0	109.2	Y405 C433 T434 N435 K436	Y405-D431 HydrophobicContact CD1-CB 4.1Å; Y405-D431 HydrophobicContact CE1-CB 3.79Å; D431-C433 PolarHBondContact O-N 2.97Å; D431-C433 WeakPolarHBondContact OD1-CA 3.38Å; D431-C433 VanDerWaalsContact OD1-CB 3.3Å; D431-C433 WeakPolarHBondContact OD1-CB 3.32Å; D431-C433 PolarHBondContact OD1-N 3.42Å; D431-T434 VanDerWaalsContact CB-OG1 3.28Å; D431-T434 WeakPolarHBondContact CB-OG1 3.46Å; D431-T434 PolarHBondContact O-N 3.42Å; D431-T434 PolarHBondContact OD1-N 2.96Å; D431-T434 WeakPolarHBondContact OD2-CB 2.91Å; D431-T434 WeakPolarHBondContact OD2-CG2 3.06Å; D431-T434 PolarHBondContact OD2-OG1 3.33Å; D431-N435 WeakPolarHBondContact O-CA 3.38Å; D431-N435 PolarHBondContact O-N 2.84Å; D431-K436 PolarHBondContact N-O 3.02Å; D431-K436 VanDerWaalsContact N-O 3.07Å; D431-K436 PolarHBondContact O-N 3Å
432	I	82	Confident	90.1	Very high	25 Å²	25	49 Å²	49	13%	0.128	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.3	-177.5	-60.9	166.2	0	0	0	111.5	Y359 N404 Y430	Y359-I432 HydrophobicContact CE2-CD1 4.27Å; Y359-I432 WeakPolarHBondContact OH-CD1 3.37Å; N404-I432 WeakPolarHBondContact O-CB 3.32Å; N404-I432 WeakPolarHBondContact O-CD1 3.49Å; N404-I432 WeakPolarHBondContact O-CG1 3.19Å; N404-I432 PolarHBondContact O-N 3.37Å; Y430-I432 HydrophobicContact CD1-CG1 3.84Å; Y430-I432 HydrophobicContact CE1-CB 4.19Å; Y430-I432 HydrophobicContact CE1-CG1 3.74Å
433	C	77	Confident	90.2	Very high	104 Å²	104	52.9 Å²	52.9	70%	0.703	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-40.4	179.8	-66.7	0	0	0	0	111.8	D431	D431-C433 PolarHBondContact O-N 2.97Å; D431-C433 WeakPolarHBondContact OD1-CA 3.38Å; D431-C433 VanDerWaalsContact OD1-CB 3.3Å; D431-C433 WeakPolarHBondContact OD1-CB 3.32Å; D431-C433 PolarHBondContact OD1-N 3.42Å
434	T	85.5	Confident	90.3	Very high	77 Å²	77	52.5 Å²	52.5	47%	0.472	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.9	-179.9	59.6	0	0	0	0	113.8	D431	D431-T434 VanDerWaalsContact CB-OG1 3.28Å; D431-T434 WeakPolarHBondContact CB-OG1 3.46Å; D431-T434 PolarHBondContact O-N 3.42Å; D431-T434 PolarHBondContact OD1-N 2.96Å; D431-T434 WeakPolarHBondContact OD2-CB 2.91Å; D431-T434 WeakPolarHBondContact OD2-CG2 3.06Å; D431-T434 PolarHBondContact OD2-OG1 3.33Å
435	N	87.8	Confident	90.2	Very high	57 Å²	57	54.3 Å²	54.3	31%	0.305	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	50.3	-174.8	-179.3	35.3	0	0	0	111.3	S388 Y430 D431	S388-N435 WeakPolarHBondContact CB-O 3.35Å; S388-N435 PolarHBondContact N-OD1 3.34Å; S388-N435 PolarHBondContact OG-ND2 3.2Å; S388-N435 PolarHBondContact OG-O 3.19Å; S388-N435 PolarHBondContact OG-OD1 3.26Å; Y430-N435 WeakPolarHBondContact CE2-OD1 3.47Å; Y430-N435 WeakPolarHBondContact OH-CA 3.5Å; Y430-N435 PolarHBondContact OH-OD1 2.99Å; D431-N435 WeakPolarHBondContact O-CA 3.38Å; D431-N435 PolarHBondContact O-N 2.84Å
436	K	92.6	Very high	90	Very high	129 Å²	129	53.5 Å²	53.5	56%	0.561	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.7	-179.7	-71.8	-174.9	179.8	-176.3	0	111.6	Y430 D431	Y430-K436 WeakPolarHBondContact CA-O 3.09Å; Y430-K436 WeakPolarHBondContact CD2-O 3.25Å; D431-K436 PolarHBondContact N-O 3.02Å; D431-K436 VanDerWaalsContact N-O 3.07Å; D431-K436 PolarHBondContact O-N 3Å
437	W	94.9	Very high	89.9	Confident	21 Å²	21	53.3 Å²	53.3	8%	0.08	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.3	166.7	-67.2	99.4	0	0	0	109.7	V361 S388 L390 L399 L406 V408 L428 T429 Y430	V361-W437 HydrophobicContact CG1-CH2 4.13Å; V361-W437 HydrophobicContact CG1-CZ2 4.12Å; V361-W437 HydrophobicContact CG2-CH2 4Å; V361-W437 HydrophobicContact CG2-CZ2 3.88Å; S388-W437 PolarHBondContact O-NE1 3.14Å; L390-W437 HydrophobicContact CD2-CD2 3.74Å; L390-W437 HydrophobicContact CD2-CE3 3.93Å; L390-W437 HydrophobicContact CD2-CG 4.32Å; L390-W437 HydrophobicContact CD2-CH2 4.15Å; L390-W437 HydrophobicContact CD2-CZ2 3.93Å; L390-W437 HydrophobicContact CD2-CZ3 4.14Å; L399-W437 HydrophobicContact CD1-CH2 4.42Å; L406-W437 HydrophobicContact CB-CH2 4.37Å; L406-W437 HydrophobicContact CD1-CH2 4.46Å; V408-W437 HydrophobicContact CB-CZ3 4.4Å; V408-W437 HydrophobicContact CG2-CH2 3.69Å; V408-W437 HydrophobicContact CG2-CZ3 3.53Å; L428-W437 HydrophobicContact CB-CE3 3.98Å; L428-W437 HydrophobicContact CB-CZ3 4.33Å; T429-W437 CarbonylContact O-C 3.54Å; T429-W437 WeakPolarHBondContact O-CA 3.37Å; Y430-W437 VanDerWaalsContact CB-CE3 3.5Å; Y430-W437 VanDerWaalsContact CB-CZ3 3.47Å; Y430-W437 AromaticContact CD2-CD1 3.94Å; Y430-W437 AromaticContact CD2-CD2 3.83Å; Y430-W437 HydrophobicContact CD2-CD2 3.83Å; Y430-W437 AromaticContact CD2-CE2 3.63Å; Y430-W437 HydrophobicContact CD2-CE3 4.49Å; Y430-W437 AromaticContact CD2-CG 3.99Å; Y430-W437 HydrophobicContact CD2-CG 3.99Å; Y430-W437 HydrophobicContact CD2-CZ2 4.11Å; Y430-W437 AromaticContact CD2-NE1 3.72Å; Y430-W437 HydrophobicContact CG-CD2 4.2Å; Y430-W437 HydrophobicContact CG-CE3 4.43Å; Y430-W437 HydrophobicContact CG-CH2 4.32Å; Y430-W437 HydrophobicContact CG-CZ2 4.12Å; Y430-W437 HydrophobicContact CG-CZ3 4.48Å
438	N	93.8	Very high	89.6	Confident	81 Å²	81	53.2 Å²	53.2	43%	0.433	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.1	174.7	-60.5	-59.5	0	0	0	108.7	L428 T429	L428-N438 WeakPolarHBondContact CA-O 3.48Å; T429-N438 PolarHBondContact N-O 2.85Å; T429-N438 PolarHBondContact O-N 3.18Å
439	N	92.5	Very high	89.4	Confident	106 Å²	106	52.8 Å²	52.8	57%	0.567	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.4	167.9	-75.3	-70.7	0	0	0	109	L428	L428-N439 WeakPolarHBondContact CD2-OD1 3.41Å
440	S	89.7	Confident	89.1	Confident	30 Å²	30	53 Å²	53	21%	0.21	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	151.5	171	-172	0	0	0	0	110.5	I427 H442	I427-S440 WeakPolarHBondContact O-CB 3.4Å; I427-S440 PolarHBondContact O-N 3.06Å; S440-H442 PolarHBondContact O-N 3.22Å; S440-H442 PolarHBondContact OG-N 3.43Å; S440-H442 VanDerWaalsContact OG-N 3.11Å
441	N	86.1	Confident	88.8	Confident	164 Å²	164	53.7 Å²	53.7	88%	0.877	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	-18.6	167.6	-66	-20.9	0	0	0	111.8
442	H	89.7	Confident	89.1	Confident	29 Å²	29	53.3 Å²	53.3	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.5	-179.2	-58	172.7	0	0	0	111.1	I427 S440 Y484 E488 N493	I427-H442 HydrophobicContact CD1-CB 4Å; S440-H442 PolarHBondContact O-N 3.22Å; S440-H442 PolarHBondContact OG-N 3.43Å; S440-H442 VanDerWaalsContact OG-N 3.11Å; H442-Y484 HydrophobicContact CB-CE2 4.25Å; H442-Y484 AromaticContact ND1-CE2 3.53Å; H442-Y484 AromaticContact ND1-CZ 3.67Å; H442-Y484 PolarHBondContact ND1-OH 3.04Å; H442-E488 PolarHBondContact CE1-O 2.8Å; H442-N493 PolarHBondContact CD2-ND2 3.28Å; H442-N493 VanDerWaalsContact CD2-ND2 3.33Å; H442-N493 PolarHBondContact CE1-ND2 3.13Å; H442-N493 PolarHBondContact ND1-ND2 3.11Å
443	K	90.7	Very high	89.7	Confident	123 Å²	123	53 Å²	53	54%	0.535	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.3	173.2	-76.5	175.3	151	-98.4	0	109.7	D425 F494	D425-K443 VanDerWaalsContact CG-NZ 3.27Å; D425-K443 IonicContact OD1-NZ 3.82Å; D425-K443 PolarHBondContact OD1-NZ 2.91Å; D425-K443 IonicContact OD2-NZ 3.18Å; D425-K443 PolarHBondContact OD2-NZ 2.97Å; K443-F494 WeakPolarHBondContact O-CE2 3.38Å; K443-F494 WeakPolarHBondContact O-CZ 3.36Å
444	L	91.8	Very high	90.5	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.265	C	S	.	.			trans	-60.9	148.5	171.5	-70.9	167.7	0	0	0	109.9	F409 D425 I427 F446 L448 F464 F482 F494	F409-L444 HydrophobicContact CB-CD1 4.25Å; F409-L444 HydrophobicContact CD1-CD2 4.06Å; D425-L444 HydrophobicContact CB-CB 4.26Å; D425-L444 WeakPolarHBondContact O-CB 3.44Å; D425-L444 PolarHBondContact O-N 3.25Å; I427-L444 HydrophobicContact CD1-CD2 4.4Å; I427-L444 HydrophobicContact CD1-CG 4.28Å; I427-L444 HydrophobicContact CG1-CG 4.13Å; L444-F446 VanDerWaalsContact CB-O 3.32Å; L444-F446 WeakPolarHBondContact CB-O 3.37Å; L444-F446 PolarHBondContact O-N 2.84Å; L444-F446 VanDerWaalsContact O-N 3.15Å; L444-L448 HydrophobicContact CD1-CB 4.33Å; L444-L448 HydrophobicContact CD1-CD1 4.47Å; L444-F464 HydrophobicContact CD2-CZ 4.45Å; L444-F482 HydrophobicContact CD2-CE2 4.4Å; L444-F482 HydrophobicContact CD2-CZ 4.4Å; L444-F494 HydrophobicContact CD2-CE1 4.12Å; L444-F494 HydrophobicContact CD2-CZ 4.35Å
445	P	89.8	Confident	90.7	Very high	57 Å²	57	48 Å²	48	37%	0.37	25%	0.253	S	S	.	.	S	Bend	trans	-62.4	-22.4	178.9	-21.1	32.1	0	0	0	113.6	F494 F496	P445-F494 HydrophobicContact CG-CB 4.23Å; P445-F494 HydrophobicContact CG-CD1 3.94Å; P445-F494 HydrophobicContact CG-CD2 4.25Å; P445-F494 HydrophobicContact CG-CE1 4.36Å; P445-F494 HydrophobicContact CG-CG 3.87Å; P445-F496 HydrophobicContact CB-CZ 3.94Å; P445-F496 HydrophobicContact CG-CZ 4.08Å
446	F	89.3	Confident	90.6	Very high	32 Å²	32	45.3 Å²	45.3	14%	0.14	24%	0.238	C	C	.	.	S	Bend	trans	-150.6	156.5	176.9	26.8	-89.9	0	0	0	109.6	L444 L448 E469 C480 F482 F496	L444-F446 VanDerWaalsContact CB-O 3.32Å; L444-F446 WeakPolarHBondContact CB-O 3.37Å; L444-F446 PolarHBondContact O-N 2.84Å; L444-F446 VanDerWaalsContact O-N 3.15Å; F446-L448 HydrophobicContact CD2-CD1 3.88Å; F446-L448 HydrophobicContact CD2-CD2 3.53Å; F446-L448 HydrophobicContact CD2-CG 3.53Å; F446-L448 HydrophobicContact CE2-CD1 3.73Å; F446-L448 HydrophobicContact CE2-CD2 3.68Å; F446-L448 HydrophobicContact CE2-CG 3.85Å; F446-L448 PolarHBondContact O-N 2.74Å; F446-E469 HydrophobicContact CB-CG 4Å; F446-E469 HydrophobicContact CD2-CG 4.07Å; F446-E469 HydrophobicContact CG-CG 4.15Å; F446-C480 HydrophobicContact CE2-CB 4.34Å; F446-C480 HydrophobicContact CZ-CB 3.8Å; F446-F482 HydrophobicContact CE2-CD1 4.46Å; F446-F482 AromaticContact CE2-CE1 3.66Å; F446-F482 HydrophobicContact CE2-CE1 3.66Å; F446-F482 HydrophobicContact CE2-CZ 4.35Å; F446-F482 AromaticContact CZ-CD1 3.89Å; F446-F482 HydrophobicContact CZ-CD1 3.89Å; F446-F482 AromaticContact CZ-CE1 3.51Å; F446-F482 HydrophobicContact CZ-CE1 3.51Å; F446-F482 HydrophobicContact CZ-CZ 4.39Å; F446-F496 AromaticContact CE1-CE1 3.82Å; F446-F496 HydrophobicContact CE1-CE1 3.82Å; F446-F496 HydrophobicContact CE1-CZ 4.03Å; F446-F496 HydrophobicContact CZ-CE1 4.16Å
447	A	90.6	Very high	89.7	Confident	16 Å²	16	43.9 Å²	43.9	13%	0.132	24%	0.241	C	C	.	.			trans	-68.9	118.9	173.9	0	0	0	0	0	109.5	A423 S424 E470	A423-A447 HydrophobicContact CB-CB 3.84Å; S424-A447 WeakPolarHBondContact O-CA 3.41Å; A447-E470 HydrophobicContact CB-CB 4.5Å
448	L	88.8	Confident	88.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.6	-172.2	-80.1	173.2	0	0	0	111.8	G411 S424 L444 F446 T451 L468 F482	G411-L448 PolarHBondContact N-O 2.95Å; S424-L448 PolarHBondContact O-N 2.84Å; L444-L448 HydrophobicContact CD1-CB 4.33Å; L444-L448 HydrophobicContact CD1-CD1 4.47Å; F446-L448 HydrophobicContact CD2-CD1 3.88Å; F446-L448 HydrophobicContact CD2-CD2 3.53Å; F446-L448 HydrophobicContact CD2-CG 3.53Å; F446-L448 HydrophobicContact CE2-CD1 3.73Å; F446-L448 HydrophobicContact CE2-CD2 3.68Å; F446-L448 HydrophobicContact CE2-CG 3.85Å; F446-L448 PolarHBondContact O-N 2.74Å; L448-T451 HydrophobicContact CB-CG2 4.31Å; L448-T451 HydrophobicContact CD1-CG2 4.3Å; L448-L468 WeakPolarHBondContact CA-O 3.43Å; L448-F482 HydrophobicContact CD1-CE1 4.01Å; L448-F482 HydrophobicContact CD1-CZ 3.7Å
449	V	90.5	Very high	87.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.9	174.6	176.6	0	0	0	0	108.7	H396 Y412 A423 T451 L468 M475	H396-V449 HydrophobicContact CB-CG1 3.54Å; Y412-V449 HydrophobicContact CD1-CG2 4.01Å; Y412-V449 HydrophobicContact CD2-CG1 3.82Å; Y412-V449 HydrophobicContact CD2-CG2 4.43Å; Y412-V449 HydrophobicContact CE1-CG1 4.32Å; Y412-V449 HydrophobicContact CE1-CG2 3.73Å; Y412-V449 HydrophobicContact CE2-CB 4.35Å; Y412-V449 HydrophobicContact CE2-CG1 3.3Å; Y412-V449 HydrophobicContact CE2-CG2 4.2Å; Y412-V449 HydrophobicContact CG-CG2 4.34Å; A423-V449 HydrophobicContact CB-CG2 3.7Å; V449-T451 PolarHBondContact O-N 2.85Å; V449-L468 HydrophobicContact CB-CB 4.07Å; V449-L468 HydrophobicContact CG1-CD1 4.35Å; V449-L468 PolarHBondContact N-O 3.21Å; V449-L468 WeakPolarHBondContact O-CB 3.23Å; V449-L468 PolarHBondContact O-N 3.44Å; V449-M475 HydrophobicContact CB-CE 4.05Å; V449-M475 HydrophobicContact CG2-CE 3.79Å
450	D	88.8	Confident	87.1	Confident	28 Å²	28	43.6 Å²	43.6	15%	0.15	24%	0.241	C	C	.	.	S	Bend	trans	52.3	30.6	179.1	-73.8	-35.2	0	0	0	113.4	H396 I505 S506	H396-D450 IonicContact CE1-OD1 2.77Å; H396-D450 IonicContact CE1-OD2 2.98Å; H396-D450 IonicContact CG-OD1 2.81Å; H396-D450 IonicContact CG-OD2 3.95Å; H396-D450 IonicContact ND1-OD1 3.92Å; H396-D450 PolarHBondContact ND1-OD1 3.31Å; H396-D450 IonicContact ND1-OD2 3.61Å; H396-D450 PolarHBondContact ND1-OD2 3.29Å; H396-D450 PolarHBondContact O-N 3.07Å; H396-D450 VanDerWaalsContact O-N 3.11Å; D450-I505 HydrophobicContact CB-CG2 3.64Å; D450-S506 PolarHBondContact O-N 2.65Å
451	T	89.1	Confident	87	Confident	13 Å²	13	43.5 Å²	43.5	8%	0.08	24%	0.238	C	C	.	.			trans	-77.7	139.7	177.6	-157.7	0	0	0	0	109.4	T398 L448 V449 F464 G466	T398-T451 VanDerWaalsContact OG1-CG2 3.22Å; T398-T451 WeakPolarHBondContact OG1-CG2 3.16Å; T398-T451 PolarHBondContact OG1-O 3.14Å; T398-T451 VanDerWaalsContact OG1-O 3.04Å; L448-T451 HydrophobicContact CB-CG2 4.31Å; L448-T451 HydrophobicContact CD1-CG2 4.3Å; V449-T451 PolarHBondContact O-N 2.85Å; T451-F464 HydrophobicContact CG2-CD1 3.72Å; T451-F464 HydrophobicContact CG2-CE1 4.01Å; T451-G466 PolarHBondContact OG1-O 3.36Å
452	C	90.7	Very high	87.4	Confident	20 Å²	20	35.7 Å²	35.7	14%	0.135	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.4	172.4	-161.8	0	0	0	0	108.5	F464 A465 A507 L509	C452-F464 WeakPolarHBondContact O-CA 3.33Å; C452-A465 PolarHBondContact O-N 3.34Å; C452-A507 WeakPolarHBondContact CB-O 3.03Å; C452-A507 PolarHBondContact SG-O 3.36Å; C452-L509 HydrophobicContact CB-CD1 3.9Å; C452-L509 HydrophobicContact CB-CG 4.02Å; C452-L509 VanDerWaalsContact SG-CB 3.56Å; C452-L509 WeakPolarHBondContact SG-CG 3.24Å; C452-L509 PolarHBondContact SG-N 3.25Å
453	A	93.9	Very high	87.7	Confident	20 Å²	20	34.3 Å²	34.3	17%	0.165	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	172.1	0	0	0	0	0	111.8	T398 I400 I462 M463 F464	T398-A453 HydrophobicContact CG2-CB 3.51Å; I400-A453 HydrophobicContact CD1-CB 3.73Å; A453-I462 HydrophobicContact CB-CG2 4Å; A453-M463 CarbonylContact C-O 3.6Å; A453-M463 WeakPolarHBondContact CA-O 3.38Å; A453-F464 HydrophobicContact CB-CD1 3.48Å; A453-F464 VanDerWaalsContact CB-CD1 3.48Å; A453-F464 HydrophobicContact CB-CE1 3.43Å; A453-F464 VanDerWaalsContact CB-CE1 3.43Å; A453-F464 HydrophobicContact CB-CG 4.07Å; A453-F464 HydrophobicContact CB-CZ 3.99Å
454	L	93.4	Very high	87.9	Confident	35 Å²	35	28.5 Å²	28.5	18%	0.183	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.2	-176.3	179.5	68.1	0	0	0	110.5	L456 I462 M463 L509 C511 V518	L454-L456 HydrophobicContact CD2-CD2 4.41Å; L454-L456 PolarHBondContact O-N 3.03Å; L454-I462 WeakPolarHBondContact O-CA 3.25Å; L454-M463 PolarHBondContact N-O 3.46Å; L454-M463 PolarHBondContact O-N 2.99Å; L454-L509 HydrophobicContact CB-CB 3.93Å; L454-L509 HydrophobicContact CB-CD1 4.13Å; L454-L509 HydrophobicContact CD2-CB 4.16Å; L454-C511 HydrophobicContact CD2-CB 3.5Å; L454-C511 HydrophobicContact CG-CB 4.42Å; L454-V518 HydrophobicContact CD2-CG1 4.18Å
455	L	90.3	Very high	88.1	Confident	40 Å²	40	28.2 Å²	28.2	21%	0.209	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.1	170.9	179.7	61.7	0	0	0	110.7	I400 C401 I402 T457 I462	I400-L455 HydrophobicContact CG2-CB 4.01Å; C401-L455 VanDerWaalsContact O-CD2 3.32Å; C401-L455 WeakPolarHBondContact O-CD2 3.36Å; I402-L455 HydrophobicContact CD1-CD1 4Å; I402-L455 HydrophobicContact CG1-CD1 3.84Å; I402-L455 HydrophobicContact CG1-CD2 4.3Å; L455-T457 HydrophobicContact CD2-CG2 3.86Å; L455-T457 HydrophobicContact CG-CG2 3.98Å; L455-T457 PolarHBondContact O-N 3.02Å; L455-I462 HydrophobicContact CD1-CG1 4.19Å
456	L	85.5	Confident	88.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	81.4	169.1	-55.6	177.5	0	0	0	108.5	L454 H458 K459 G460 L461 M463 L483 C511 V518 F544	L454-L456 HydrophobicContact CD2-CD2 4.41Å; L454-L456 PolarHBondContact O-N 3.03Å; L456-H458 VanDerWaalsContact C-N 3.27Å; L456-H458 PolarHBondContact O-N 2.97Å; L456-K459 HydrophobicContact CB-CB 4.15Å; L456-K459 HydrophobicContact CB-CD 4.42Å; L456-K459 HydrophobicContact CD1-CD 4.08Å; L456-K459 CarbonylContact O-C 3.56Å; L456-K459 WeakPolarHBondContact O-CA 3.25Å; L456-K459 PolarHBondContact O-N 2.89Å; L456-G460 PolarHBondContact O-N 3.4Å; L456-L461 WeakPolarHBondContact CB-O 3.43Å; L456-L461 PolarHBondContact N-O 3.37Å; L456-M463 HydrophobicContact CD1-CB 4.1Å; L456-M463 HydrophobicContact CG-CB 4.29Å; L456-L483 HydrophobicContact CD1-CD2 3.88Å; L456-C511 HydrophobicContact CD2-CB 4.09Å; L456-V518 HydrophobicContact CD2-CG2 3.78Å; L456-F544 HydrophobicContact CD1-CE1 4.39Å; L456-F544 HydrophobicContact CD1-CE2 4.14Å; L456-F544 HydrophobicContact CD1-CZ 3.54Å
457	T	74.5	Confident	88.4	Confident	100 Å²	100	24.2 Å²	24.2	61%	0.613	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-43.2	-173.9	49.5	0	0	0	0	113.5	L455 K459 G460	L455-T457 HydrophobicContact CD2-CG2 3.86Å; L455-T457 HydrophobicContact CG-CG2 3.98Å; L455-T457 PolarHBondContact O-N 3.02Å; T457-K459 PolarHBondContact O-N 2.89Å; T457-G460 PolarHBondContact O-N 3.29Å
458	H	69.9	Low	88.4	Confident	82 Å²	82	23.8 Å²	23.8	38%	0.38	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.1	178.8	68.4	-77.6	0	0	0	114.7	L456 N516	L456-H458 VanDerWaalsContact C-N 3.27Å; L456-H458 PolarHBondContact O-N 2.97Å; H458-N516 PolarHBondContact NE2-OD1 2.78Å
459	K	75.9	Confident	88.4	Confident	87 Å²	87	24.8 Å²	24.8	38%	0.378	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-17.4	177.4	-73.2	170.9	-174.1	-57.6	0	113.4	L456 T457 L461 N516	L456-K459 HydrophobicContact CB-CB 4.15Å; L456-K459 HydrophobicContact CB-CD 4.42Å; L456-K459 HydrophobicContact CD1-CD 4.08Å; L456-K459 CarbonylContact O-C 3.56Å; L456-K459 WeakPolarHBondContact O-CA 3.25Å; L456-K459 PolarHBondContact O-N 2.89Å; T457-K459 PolarHBondContact O-N 2.89Å; K459-L461 HydrophobicContact CB-CB 4.24Å; K459-L461 HydrophobicContact CB-CD1 4.13Å; K459-L461 HydrophobicContact CB-CG 4Å; K459-L461 PolarHBondContact O-N 3Å; K459-N516 WeakPolarHBondContact CE-OD1 3.45Å
460	G	79.1	Confident	88.2	Confident	32 Å²	32	29.2 Å²	29.2	33%	0.33	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	15.5	-170.5	0	0	0	0	0	114.1	L456 T457	L456-G460 PolarHBondContact O-N 3.4Å; T457-G460 PolarHBondContact O-N 3.29Å
461	L	89.2	Confident	87.9	Confident	29 Å²	29	33.5 Å²	33.5	15%	0.152	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	152.1	-175.8	-61	177.8	0	0	0	111.3	L456 K459 L483 D485	L456-L461 WeakPolarHBondContact CB-O 3.43Å; L456-L461 PolarHBondContact N-O 3.37Å; K459-L461 HydrophobicContact CB-CB 4.24Å; K459-L461 HydrophobicContact CB-CD1 4.13Å; K459-L461 HydrophobicContact CB-CG 4Å; K459-L461 PolarHBondContact O-N 3Å; L461-L483 HydrophobicContact CD1-CD1 4.05Å; L461-D485 HydrophobicContact CD2-CB 3.46Å; L461-D485 VanDerWaalsContact CD2-CB 3.46Å; L461-D485 VanDerWaalsContact CD2-CG 3.45Å; L461-D485 VanDerWaalsContact CD2-OD2 3.31Å; L461-D485 WeakPolarHBondContact CD2-OD2 3.46Å
462	I	94.6	Very high	87.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.1	169.9	-64.1	171.1	0	0	0	109	I400 I402 F409 A453 L454 L455 F464 L483 Y484	I400-I462 HydrophobicContact CB-CD1 4.11Å; I400-I462 HydrophobicContact CD1-CB 4.26Å; I400-I462 HydrophobicContact CD1-CD1 3.91Å; I400-I462 HydrophobicContact CD1-CG1 3.93Å; I400-I462 HydrophobicContact CD1-CG2 3.34Å; I400-I462 HydrophobicContact CG2-CD1 3.82Å; I400-I462 HydrophobicContact CG2-CG1 4.13Å; I402-I462 HydrophobicContact CD1-CD1 3.71Å; I402-I462 HydrophobicContact CD1-CG1 3.98Å; I402-I462 HydrophobicContact CG1-CD1 4.46Å; F409-I462 HydrophobicContact CE2-CD1 3.62Å; F409-I462 HydrophobicContact CZ-CD1 3.48Å; F409-I462 VanDerWaalsContact CZ-CD1 3.48Å; A453-I462 HydrophobicContact CB-CG2 4Å; L454-I462 WeakPolarHBondContact O-CA 3.25Å; L455-I462 HydrophobicContact CD1-CG1 4.19Å; I462-F464 HydrophobicContact CB-CE2 4.09Å; I462-F464 HydrophobicContact CG2-CD2 3.87Å; I462-F464 HydrophobicContact CG2-CE2 3.32Å; I462-F464 HydrophobicContact CG2-CZ 3.7Å; I462-L483 CarbonylContact O-C 3.42Å; I462-L483 VanDerWaalsContact O-CA 3.28Å; I462-L483 WeakPolarHBondContact O-CA 3.49Å; I462-Y484 HydrophobicContact CB-CD1 4.39Å; I462-Y484 HydrophobicContact CD1-CD1 4.05Å; I462-Y484 PolarHBondContact N-O 2.98Å; I462-Y484 PolarHBondContact O-N 2.82Å
463	M	95.5	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.2	172	-177.8	172.5	163.5	0	0	110.3	A453 L454 L456 L483 L497 V518 F542 F544 W549	A453-M463 CarbonylContact C-O 3.6Å; A453-M463 WeakPolarHBondContact CA-O 3.38Å; L454-M463 PolarHBondContact N-O 3.46Å; L454-M463 PolarHBondContact O-N 2.99Å; L456-M463 HydrophobicContact CD1-CB 4.1Å; L456-M463 HydrophobicContact CG-CB 4.29Å; M463-L483 HydrophobicContact CB-CD2 3.69Å; M463-L483 HydrophobicContact CG-CD2 3.97Å; M463-L497 HydrophobicContact CE-CD1 4.1Å; M463-L497 HydrophobicContact CG-CD1 4.33Å; M463-L497 HydrophobicContact SD-CD1 4.17Å; M463-V518 HydrophobicContact CE-CB 4.44Å; M463-V518 HydrophobicContact CE-CG1 4.15Å; M463-V518 HydrophobicContact SD-CB 4.1Å; M463-V518 HydrophobicContact SD-CG1 3.95Å; M463-V518 HydrophobicContact SD-CG2 3.89Å; M463-F542 HydrophobicContact CE-CD1 4.47Å; M463-F544 HydrophobicContact SD-CZ 4.27Å; M463-W549 HydrophobicContact CE-CH2 3.61Å; M463-W549 HydrophobicContact CE-CZ2 3.54Å
464	F	95.8	Very high	86.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143	170.3	-67.7	-93.9	0	0	0	109.9	F409 L444 T451 C452 A453 I462 A481 F482	F409-F464 HydrophobicContact CB-CE1 4.02Å; F409-F464 HydrophobicContact CB-CZ 4.08Å; F409-F464 HydrophobicContact CD1-CE1 4.38Å; F409-F464 HydrophobicContact CD1-CE2 4.45Å; F409-F464 AromaticContact CD1-CZ 3.62Å; F409-F464 HydrophobicContact CD1-CZ 3.62Å; F409-F464 HydrophobicContact CD2-CE1 4.39Å; F409-F464 AromaticContact CD2-CZ 3.87Å; F409-F464 HydrophobicContact CD2-CZ 3.87Å; F409-F464 HydrophobicContact CE1-CE2 4.44Å; F409-F464 AromaticContact CE1-CZ 3.93Å; F409-F464 HydrophobicContact CE1-CZ 3.93Å; F409-F464 HydrophobicContact CE2-CZ 4.15Å; F409-F464 HydrophobicContact CG-CE1 4.04Å; F409-F464 AromaticContact CG-CZ 3.59Å; F409-F464 HydrophobicContact CG-CZ 3.59Å; F409-F464 HydrophobicContact CZ-CZ 4.19Å; L444-F464 HydrophobicContact CD2-CZ 4.45Å; T451-F464 HydrophobicContact CG2-CD1 3.72Å; T451-F464 HydrophobicContact CG2-CE1 4.01Å; C452-F464 WeakPolarHBondContact O-CA 3.33Å; A453-F464 HydrophobicContact CB-CD1 3.48Å; A453-F464 VanDerWaalsContact CB-CD1 3.48Å; A453-F464 HydrophobicContact CB-CE1 3.43Å; A453-F464 VanDerWaalsContact CB-CE1 3.43Å; A453-F464 HydrophobicContact CB-CG 4.07Å; A453-F464 HydrophobicContact CB-CZ 3.99Å; I462-F464 HydrophobicContact CB-CE2 4.09Å; I462-F464 HydrophobicContact CG2-CD2 3.87Å; I462-F464 HydrophobicContact CG2-CE2 3.32Å; I462-F464 HydrophobicContact CG2-CZ 3.7Å; F464-A481 VanDerWaalsContact O-CA 3.25Å; F464-A481 WeakPolarHBondContact O-CA 3.23Å; F464-F482 HydrophobicContact CB-CD1 4.09Å; F464-F482 HydrophobicContact CB-CD2 4.02Å; F464-F482 HydrophobicContact CB-CE1 3.68Å; F464-F482 HydrophobicContact CB-CE2 3.64Å; F464-F482 HydrophobicContact CB-CG 4.24Å; F464-F482 HydrophobicContact CB-CZ 3.45Å; F464-F482 VanDerWaalsContact CB-CZ 3.45Å; F464-F482 HydrophobicContact CD1-CE2 4.4Å; F464-F482 HydrophobicContact CD1-CZ 4.18Å; F464-F482 AromaticContact CD2-CD2 3.86Å; F464-F482 HydrophobicContact CD2-CD2 3.86Å; F464-F482 AromaticContact CD2-CE2 3.31Å; F464-F482 HydrophobicContact CD2-CE2 3.31Å; F464-F482 AromaticContact CD2-CZ 3.88Å; F464-F482 HydrophobicContact CD2-CZ 3.88Å; F464-F482 HydrophobicContact CE2-CE2 4.05Å; F464-F482 HydrophobicContact CG-CD2 4.23Å; F464-F482 HydrophobicContact CG-CE1 4.32Å; F464-F482 AromaticContact CG-CE2 3.53Å; F464-F482 HydrophobicContact CG-CE2 3.53Å; F464-F482 AromaticContact CG-CZ 3.57Å; F464-F482 HydrophobicContact CG-CZ 3.57Å; F464-F482 PolarHBondContact N-O 3.29Å; F464-F482 PolarHBondContact O-N 2.83Å
465	A	95.1	Very high	86.2	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	125.2	172.6	0	0	0	0	0	111.3	C452 A481 L500 L509 L520	C452-A465 PolarHBondContact O-N 3.34Å; A465-A481 HydrophobicContact CB-CB 4.43Å; A465-L500 HydrophobicContact CB-CD1 4.31Å; A465-L500 HydrophobicContact CB-CD2 4.3Å; A465-L509 HydrophobicContact CB-CD1 4Å; A465-L509 HydrophobicContact CB-CD2 4.11Å; A465-L509 HydrophobicContact CB-CG 4.46Å; A465-L520 HydrophobicContact CB-CD1 3.8Å
466	G	93.2	Very high	86.1	Confident	3 Å²	3	51 Å²	51	3%	0.031	27%	0.266	C	S	.	.			trans	70.1	-151.8	177.2	0	0	0	0	0	113.5	T451 S478 C480 L504	T451-G466 PolarHBondContact OG1-O 3.36Å; G466-S478 WeakPolarHBondContact CA-O 3.49Å; G466-C480 PolarHBondContact N-O 3.23Å; G466-L504 CarbonylContact C-O 3.55Å; G466-L504 VanDerWaalsContact CA-O 3.3Å; G466-L504 WeakPolarHBondContact CA-O 3.12Å
467	G	91.8	Very high	86.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.01	28%	0.277	C	S	.	.			trans	102.4	-174.3	-172.8	0	0	0	0	0	112.7	S478 L504	G467-S478 PolarHBondContact O-N 2.94Å; G467-L504 PolarHBondContact N-O 3.18Å
468	L	90.1	Very high	87.2	Confident	8 Å²	8	48 Å²	48	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	175.5	-74.1	171.2	0	0	0	109.9	L448 V449 M475 R476 I505 V527	L448-L468 WeakPolarHBondContact CA-O 3.43Å; V449-L468 HydrophobicContact CB-CB 4.07Å; V449-L468 HydrophobicContact CG1-CD1 4.35Å; V449-L468 PolarHBondContact N-O 3.21Å; V449-L468 WeakPolarHBondContact O-CB 3.23Å; V449-L468 PolarHBondContact O-N 3.44Å; L468-M475 HydrophobicContact CB-CB 4.42Å; L468-M475 HydrophobicContact CB-CE 3.7Å; L468-M475 HydrophobicContact CD2-CB 4.16Å; L468-R476 WeakPolarHBondContact CA-O 3.3Å; L468-I505 HydrophobicContact CD1-CG2 4.25Å; L468-I505 HydrophobicContact CD2-CD1 3.3Å; L468-I505 HydrophobicContact CD2-CG1 3.74Å; L468-I505 HydrophobicContact CD2-CG2 4.49Å; L468-I505 HydrophobicContact CG-CD1 3.89Å; L468-I505 HydrophobicContact CG-CG1 3.91Å; L468-I505 HydrophobicContact CG-CG2 3.84Å; L468-V527 HydrophobicContact CD2-CG2 3.52Å
469	E	89.6	Confident	88.4	Confident	22 Å²	22	46.2 Å²	46.2	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.1	178.5	-173.3	-179.3	157.3	0	0	109.5	F446 Y471 M475 R476 S478	F446-E469 HydrophobicContact CB-CG 4Å; F446-E469 HydrophobicContact CD2-CG 4.07Å; F446-E469 HydrophobicContact CG-CG 4.15Å; E469-Y471 HydrophobicContact CB-CD2 4.29Å; E469-Y471 HydrophobicContact CB-CE2 3.93Å; E469-Y471 HydrophobicContact CG-CD2 4.18Å; E469-Y471 HydrophobicContact CG-CE2 3.65Å; E469-Y471 PolarHBondContact O-N 3.03Å; E469-Y471 WeakPolarHBondContact OE1-CE2 3.36Å; E469-Y471 PolarHBondContact OE1-OH 3.35Å; E469-M475 WeakPolarHBondContact O-CA 3.43Å; E469-R476 PolarHBondContact N-O 2.92Å; E469-R476 PolarHBondContact O-N 3.18Å; E469-S478 PolarHBondContact OE2-OG 3.39Å
470	E	85.3	Confident	89.3	Confident	93 Å²	93	43.1 Å²	43.1	44%	0.435	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.7	179.7	-170.2	175.5	-168.4	0	0	111	A447 M475	A447-E470 HydrophobicContact CB-CB 4.5Å; E470-M475 HydrophobicContact CB-SD 3.77Å; E470-M475 HydrophobicContact CG-SD 4.11Å
471	Y	83.2	Confident	90	Very high	117 Å²	117	41.6 Å²	41.6	46%	0.459	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	82.8	176.6	-84.5	-88.8	0	0	0	110	E469 D473 E474 R476	E469-Y471 HydrophobicContact CB-CD2 4.29Å; E469-Y471 HydrophobicContact CB-CE2 3.93Å; E469-Y471 HydrophobicContact CG-CD2 4.18Å; E469-Y471 HydrophobicContact CG-CE2 3.65Å; E469-Y471 PolarHBondContact O-N 3.03Å; E469-Y471 WeakPolarHBondContact OE1-CE2 3.36Å; E469-Y471 PolarHBondContact OE1-OH 3.35Å; Y471-D473 PolarHBondContact O-N 2.8Å; Y471-E474 PolarHBondContact N-O 2.9Å; Y471-E474 PolarHBondContact O-N 2.83Å; Y471-R476 HydrophobicContact CD2-CB 4.01Å; Y471-R476 HydrophobicContact CD2-CG 4.35Å
472	G	83.2	Confident	90.3	Very high	56 Å²	56	40.3 Å²	40.3	58%	0.577	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	-122.8	-173.3	0	0	0	0	0	110.1	E474	G472-E474 VanDerWaalsContact C-N 3.34Å
473	D	77.8	Confident	90.3	Very high	180 Å²	180	41 Å²	41	96%	0.963	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	2.5	-179.9	-58.3	-37.1	0	0	0	113.3	Y471	Y471-D473 PolarHBondContact O-N 2.8Å
474	E	84.8	Confident	90.3	Very high	109 Å²	109	41.1 Å²	41.1	51%	0.509	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.3	-177.4	-65.8	179.9	170.7	0	0	111.8	Y471 G472 R476	Y471-E474 PolarHBondContact N-O 2.9Å; Y471-E474 PolarHBondContact O-N 2.83Å; G472-E474 VanDerWaalsContact C-N 3.34Å; E474-R476 IonicContact OE2-CZ 2.97Å; E474-R476 IonicContact OE2-NE 2.96Å; E474-R476 PolarHBondContact OE2-NE 3.48Å; E474-R476 IonicContact OE2-NH2 2.72Å; E474-R476 PolarHBondContact OE2-NH2 3.24Å
475	M	84.9	Confident	90.1	Very high	30 Å²	30	42.9 Å²	42.9	15%	0.148	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.5	167.4	-62	-63	-69.3	0	0	109.6	A423 V449 L468 E469 E470 V527	A423-M475 HydrophobicContact CB-CE 3.94Å; A423-M475 HydrophobicContact CB-SD 4.22Å; V449-M475 HydrophobicContact CB-CE 4.05Å; V449-M475 HydrophobicContact CG2-CE 3.79Å; L468-M475 HydrophobicContact CB-CB 4.42Å; L468-M475 HydrophobicContact CB-CE 3.7Å; L468-M475 HydrophobicContact CD2-CB 4.16Å; E469-M475 WeakPolarHBondContact O-CA 3.43Å; E470-M475 HydrophobicContact CB-SD 3.77Å; E470-M475 HydrophobicContact CG-SD 4.11Å; M475-V527 WeakPolarHBondContact O-CG2 3.48Å
476	R	89.4	Confident	89.8	Confident	121 Å²	121	44 Å²	44	46%	0.457	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.9	-179.4	-65.2	-175.8	178.7	163.5	3.1	112.3	L468 E469 Y471 E474 S478	L468-R476 WeakPolarHBondContact CA-O 3.3Å; E469-R476 PolarHBondContact N-O 2.92Å; E469-R476 PolarHBondContact O-N 3.18Å; Y471-R476 HydrophobicContact CD2-CB 4.01Å; Y471-R476 HydrophobicContact CD2-CG 4.35Å; E474-R476 IonicContact OE2-CZ 2.97Å; E474-R476 IonicContact OE2-NE 2.96Å; E474-R476 PolarHBondContact OE2-NE 3.48Å; E474-R476 IonicContact OE2-NH2 2.72Å; E474-R476 PolarHBondContact OE2-NH2 3.24Å; R476-S478 PolarHBondContact O-N 3.21Å
477	P	91.1	Very high	89.3	Confident	33 Å²	33	49.1 Å²	49.1	21%	0.214	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	128.6	168.2	-16.5	21.8	0	0	0	111.1	P503 I505 M525 V527	P477-P503 HydrophobicContact CB-CB 3.95Å; P477-P503 WeakPolarHBondContact O-CB 3.44Å; P477-I505 HydrophobicContact CB-CD1 3.86Å; P477-I505 HydrophobicContact CB-CG1 3.8Å; P477-I505 HydrophobicContact CG-CD1 3.62Å; P477-I505 HydrophobicContact CG-CG1 4.16Å; P477-M525 VanDerWaalsContact CG-O 3.24Å; P477-M525 WeakPolarHBondContact CG-O 3.41Å; P477-V527 HydrophobicContact CG-CG2 4.44Å
478	S	92.7	Very high	89	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.028	28%	0.282	C	S	.	.			trans	-97.5	145.9	178.6	-164.2	0	0	0	0	111.4	G466 G467 E469 R476 C480 P503 L504	G466-S478 WeakPolarHBondContact CA-O 3.49Å; G467-S478 PolarHBondContact O-N 2.94Å; E469-S478 PolarHBondContact OE2-OG 3.39Å; R476-S478 PolarHBondContact O-N 3.21Å; S478-C480 WeakPolarHBondContact OG-CB 3.39Å; S478-C480 PolarHBondContact OG-N 3.09Å; S478-C480 PolarHBondContact OG-SG 3.44Å; S478-P503 WeakPolarHBondContact O-CA 3.32Å; S478-L504 PolarHBondContact O-N 3.23Å
479	D	93.9	Very high	88.2	Confident	44 Å²	44	60.6 Å²	60.6	24%	0.235	31%	0.313	C	S	.	.			trans	-99.5	6.5	169.5	68.4	-4.5	0	0	0	112	K499 L500 P503	D479-K499 VanDerWaalsContact CG-NZ 3.26Å; D479-K499 CarbonylContact O-C 3.51Å; D479-K499 WeakPolarHBondContact O-CA 3.45Å; D479-K499 IonicContact OD1-NZ 2.83Å; D479-K499 PolarHBondContact OD1-NZ 2.7Å; D479-K499 WeakPolarHBondContact OD2-CD 3.29Å; D479-K499 IonicContact OD2-NZ 2.59Å; D479-K499 PolarHBondContact OD2-NZ 3.07Å; D479-L500 HydrophobicContact CB-CB 4.33Å; D479-L500 PolarHBondContact O-N 3.02Å; D479-P503 HydrophobicContact CB-CB 4.12Å
480	C	94.1	Very high	87.2	Confident	22 Å²	22	67.4 Å²	67.4	15%	0.149	35%	0.351	C	S	.	.			trans	-71.5	140.3	-176.9	-69.8	0	0	0	0	111.8	F446 G466 S478	F446-C480 HydrophobicContact CE2-CB 4.34Å; F446-C480 HydrophobicContact CZ-CB 3.8Å; G466-C480 PolarHBondContact N-O 3.23Å; S478-C480 WeakPolarHBondContact OG-CB 3.39Å; S478-C480 PolarHBondContact OG-N 3.09Å; S478-C480 PolarHBondContact OG-SG 3.44Å
481	A	95.4	Very high	86.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.9	165.9	0	0	0	0	0	108.4	F464 A465 L497 W549	F464-A481 VanDerWaalsContact O-CA 3.25Å; F464-A481 WeakPolarHBondContact O-CA 3.23Å; A465-A481 HydrophobicContact CB-CB 4.43Å; A481-L497 HydrophobicContact CB-CB 4.06Å; A481-L497 WeakPolarHBondContact O-CB 3.13Å; A481-L497 PolarHBondContact O-N 2.85Å; A481-W549 HydrophobicContact CB-CZ2 4.24Å
482	F	95.4	Very high	86.3	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.009	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159	-179.1	58.9	-89.6	0	0	0	111.4	L444 F446 L448 F464 F494 K495 F496	L444-F482 HydrophobicContact CD2-CE2 4.4Å; L444-F482 HydrophobicContact CD2-CZ 4.4Å; F446-F482 HydrophobicContact CE2-CD1 4.46Å; F446-F482 AromaticContact CE2-CE1 3.66Å; F446-F482 HydrophobicContact CE2-CE1 3.66Å; F446-F482 HydrophobicContact CE2-CZ 4.35Å; F446-F482 AromaticContact CZ-CD1 3.89Å; F446-F482 HydrophobicContact CZ-CD1 3.89Å; F446-F482 AromaticContact CZ-CE1 3.51Å; F446-F482 HydrophobicContact CZ-CE1 3.51Å; F446-F482 HydrophobicContact CZ-CZ 4.39Å; L448-F482 HydrophobicContact CD1-CE1 4.01Å; L448-F482 HydrophobicContact CD1-CZ 3.7Å; F464-F482 HydrophobicContact CB-CD1 4.09Å; F464-F482 HydrophobicContact CB-CD2 4.02Å; F464-F482 HydrophobicContact CB-CE1 3.68Å; F464-F482 HydrophobicContact CB-CE2 3.64Å; F464-F482 HydrophobicContact CB-CG 4.24Å; F464-F482 HydrophobicContact CB-CZ 3.45Å; F464-F482 VanDerWaalsContact CB-CZ 3.45Å; F464-F482 HydrophobicContact CD1-CE2 4.4Å; F464-F482 HydrophobicContact CD1-CZ 4.18Å; F464-F482 AromaticContact CD2-CD2 3.86Å; F464-F482 HydrophobicContact CD2-CD2 3.86Å; F464-F482 AromaticContact CD2-CE2 3.31Å; F464-F482 HydrophobicContact CD2-CE2 3.31Å; F464-F482 AromaticContact CD2-CZ 3.88Å; F464-F482 HydrophobicContact CD2-CZ 3.88Å; F464-F482 HydrophobicContact CE2-CE2 4.05Å; F464-F482 HydrophobicContact CG-CD2 4.23Å; F464-F482 HydrophobicContact CG-CE1 4.32Å; F464-F482 AromaticContact CG-CE2 3.53Å; F464-F482 HydrophobicContact CG-CE2 3.53Å; F464-F482 AromaticContact CG-CZ 3.57Å; F464-F482 HydrophobicContact CG-CZ 3.57Å; F464-F482 PolarHBondContact N-O 3.29Å; F464-F482 PolarHBondContact O-N 2.83Å; F482-F494 AromaticContact CD2-CD1 3.78Å; F482-F494 HydrophobicContact CD2-CD1 3.78Å; F482-F494 HydrophobicContact CD2-CE1 4.36Å; F482-F494 AromaticContact CE2-CD1 3.86Å; F482-F494 HydrophobicContact CE2-CD1 3.86Å; F482-F494 AromaticContact CE2-CE1 3.98Å; F482-F494 HydrophobicContact CE2-CE1 3.98Å; F482-K495 CarbonylContact C-O 3.58Å; F482-K495 VanDerWaalsContact CA-O 3.29Å; F482-K495 WeakPolarHBondContact CA-O 3.11Å; F482-K495 WeakPolarHBondContact CB-O 3.42Å; F482-F496 HydrophobicContact CB-CD1 4.02Å; F482-F496 HydrophobicContact CB-CE1 4.35Å; F482-F496 HydrophobicContact CB-CG 4.43Å; F482-F496 HydrophobicContact CD1-CE1 4.39Å
483	L	95	Very high	86.6	Confident	15 Å²	15	66.1 Å²	66.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.7	173.3	-60	173.7	0	0	0	109.4	L456 L461 I462 M463 F494 K495 L497 F544	L456-L483 HydrophobicContact CD1-CD2 3.88Å; L461-L483 HydrophobicContact CD1-CD1 4.05Å; I462-L483 CarbonylContact O-C 3.42Å; I462-L483 VanDerWaalsContact O-CA 3.28Å; I462-L483 WeakPolarHBondContact O-CA 3.49Å; M463-L483 HydrophobicContact CB-CD2 3.69Å; M463-L483 HydrophobicContact CG-CD2 3.97Å; L483-F494 CarbonylContact O-C 3.52Å; L483-F494 VanDerWaalsContact O-CA 3.31Å; L483-F494 WeakPolarHBondContact O-CA 3.29Å; L483-K495 HydrophobicContact CB-CB 4.4Å; L483-K495 PolarHBondContact N-O 3.14Å; L483-K495 PolarHBondContact O-N 2.77Å; L483-L497 HydrophobicContact CD1-CD2 4.1Å; L483-L497 HydrophobicContact CD2-CD1 4.04Å; L483-L497 HydrophobicContact CG-CD1 3.95Å; L483-L497 HydrophobicContact CG-CD2 4.21Å; L483-L497 HydrophobicContact CG-CG 4.15Å; L483-F544 HydrophobicContact CD1-CE1 4.28Å; L483-F544 HydrophobicContact CD2-CE1 4.46Å
484	Y	94.9	Very high	87.4	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	170.2	172.3	-114.2	0	0	0	109.3	F409 I427 H442 I462 P486 N493 F494	F409-Y484 AromaticContact CE1-CD1 3.74Å; F409-Y484 HydrophobicContact CE1-CD1 3.74Å; F409-Y484 AromaticContact CE1-CE1 3.7Å; F409-Y484 HydrophobicContact CE1-CE1 3.7Å; F409-Y484 HydrophobicContact CE1-CG 4.43Å; F409-Y484 AromaticContact CZ-CD1 3.78Å; F409-Y484 HydrophobicContact CZ-CD1 3.78Å; F409-Y484 AromaticContact CZ-CE1 3.75Å; F409-Y484 HydrophobicContact CZ-CE1 3.75Å; I427-Y484 HydrophobicContact CD1-CE2 4.38Å; H442-Y484 HydrophobicContact CB-CE2 4.25Å; H442-Y484 AromaticContact ND1-CE2 3.53Å; H442-Y484 AromaticContact ND1-CZ 3.67Å; H442-Y484 PolarHBondContact ND1-OH 3.04Å; I462-Y484 HydrophobicContact CB-CD1 4.39Å; I462-Y484 HydrophobicContact CD1-CD1 4.05Å; I462-Y484 PolarHBondContact N-O 2.98Å; I462-Y484 PolarHBondContact O-N 2.82Å; Y484-P486 HydrophobicContact CE1-CB 3.9Å; Y484-N493 CarbonylContact C-O 3.55Å; Y484-N493 VanDerWaalsContact CA-O 3.3Å; Y484-N493 WeakPolarHBondContact CA-O 3.25Å; Y484-N493 HydrophobicContact CD2-CB 4.42Å; Y484-N493 HydrophobicContact CE2-CB 4.23Å; Y484-F494 AromaticContact CD2-CD1 3.92Å; Y484-F494 HydrophobicContact CD2-CD1 3.92Å; Y484-F494 AromaticContact CD2-CE1 3.36Å; Y484-F494 HydrophobicContact CD2-CE1 3.36Å; Y484-F494 HydrophobicContact CD2-CE2 4.03Å; Y484-F494 HydrophobicContact CD2-CG 4.48Å; Y484-F494 AromaticContact CD2-CZ 3.42Å; Y484-F494 HydrophobicContact CD2-CZ 3.42Å; Y484-F494 VanDerWaalsContact CD2-CZ 3.42Å; Y484-F494 HydrophobicContact CE2-CE1 4.19Å; Y484-F494 HydrophobicContact CE2-CE2 4.23Å; Y484-F494 AromaticContact CE2-CZ 3.79Å; Y484-F494 HydrophobicContact CE2-CZ 3.79Å; Y484-F494 HydrophobicContact CG-CD1 4.45Å; Y484-F494 AromaticContact CG-CE1 3.9Å; Y484-F494 HydrophobicContact CG-CE1 3.9Å; Y484-F494 HydrophobicContact CG-CZ 4.32Å
485	D	91.9	Very high	87.7	Confident	36 Å²	36	61 Å²	61	19%	0.193	32%	0.318	C	S	.	.			trans	-104.1	115.6	170.6	-164.1	-32.9	0	0	0	109	L461 T487 E488 N493	L461-D485 HydrophobicContact CD2-CB 3.46Å; L461-D485 VanDerWaalsContact CD2-CB 3.46Å; L461-D485 VanDerWaalsContact CD2-CG 3.45Å; L461-D485 VanDerWaalsContact CD2-OD2 3.31Å; L461-D485 WeakPolarHBondContact CD2-OD2 3.46Å; D485-T487 PolarHBondContact O-N 3.36Å; D485-T487 WeakPolarHBondContact OD1-CA 3.49Å; D485-T487 WeakPolarHBondContact OD1-CB 3.39Å; D485-T487 PolarHBondContact OD1-N 3.14Å; D485-T487 PolarHBondContact OD1-OG1 3.14Å; D485-E488 HydrophobicContact CB-CB 4.21Å; D485-E488 HydrophobicContact CB-CG 4.03Å; D485-N493 PolarHBondContact N-O 3.02Å; D485-N493 WeakPolarHBondContact O-CB 3.49Å
486	P	87.6	Confident	88.2	Confident	24 Å²	24	65.2 Å²	65.2	16%	0.156	34%	0.336	C	S	.	.	S	Bend	trans	-74.3	-14.6	177.1	31.5	-35.5	0	0	0	113.5	I402 Y407 Y484	I402-P486 HydrophobicContact CD1-CG 3.9Å; Y407-P486 HydrophobicContact CE1-CB 4.21Å; Y484-P486 HydrophobicContact CE1-CB 3.9Å
487	T	84.4	Confident	88.4	Confident	112 Å²	112	60.5 Å²	60.5	69%	0.687	32%	0.319	S	S	*	.	S	Bend	trans	-93	-22.2	-175.3	67.7	0	0	0	0	113.7	D485	D485-T487 PolarHBondContact O-N 3.36Å; D485-T487 WeakPolarHBondContact OD1-CA 3.49Å; D485-T487 WeakPolarHBondContact OD1-CB 3.39Å; D485-T487 PolarHBondContact OD1-N 3.14Å; D485-T487 PolarHBondContact OD1-OG1 3.14Å
488	E	84.2	Confident	88.6	Confident	100 Å²	100	60.8 Å²	60.8	47%	0.467	32%	0.321	S	S	.	.			trans	-75.8	130.1	175.5	-73.1	-71.7	-179.5	0	0	110.4	H442 D485 N493	H442-E488 PolarHBondContact CE1-O 2.8Å; D485-E488 HydrophobicContact CB-CB 4.21Å; D485-E488 HydrophobicContact CB-CG 4.03Å; E488-N493 HydrophobicContact CB-CB 4.19Å
489	E	73.9	Confident	88.8	Confident	149 Å²	149	66.7 Å²	66.7	70%	0.696	35%	0.346	S	S	*	.			trans	-105.5	166.4	171.2	-61.5	-176	172.5	0	0	108
490	D	68.4	Low	88.8	Confident	166 Å²	166	65 Å²	65	89%	0.888	34%	0.337	S	S	*	.	S	Bend	trans	81.1	17.7	178.7	-53.1	-36.3	0	0	0	118.9
491	G	69.1	Low	88.8	Confident	61 Å²	61	67.3 Å²	67.3	63%	0.629	35%	0.352	S	S	*	.	S	Bend	trans	87.8	1.2	165.6	0	0	0	0	0	115.7	N493	G491-N493 VanDerWaalsContact C-N 3.31Å; G491-N493 VanDerWaalsContact C-OD1 3.32Å; G491-N493 WeakPolarHBondContact CA-OD1 3.2Å; G491-N493 PolarHBondContact N-OD1 2.8Å
492	E	81.3	Confident	88.7	Confident	167 Å²	167	68.5 Å²	68.5	78%	0.78	36%	0.358	S	S	*	.			trans	-90.3	7.5	169.8	-64.5	-157.7	164.4	0	0	113.6	F494	E492-F494 PolarHBondContact O-N 3.41Å
493	N	89.6	Confident	88.6	Confident	10 Å²	10	70.7 Å²	70.7	5%	0.053	37%	0.372	C	S	.	.			trans	-64.4	-8	-178.6	19.3	-52.2	0	0	0	114.2	H442 Y484 D485 E488 G491	H442-N493 PolarHBondContact CD2-ND2 3.28Å; H442-N493 VanDerWaalsContact CD2-ND2 3.33Å; H442-N493 PolarHBondContact CE1-ND2 3.13Å; H442-N493 PolarHBondContact ND1-ND2 3.11Å; Y484-N493 CarbonylContact C-O 3.55Å; Y484-N493 VanDerWaalsContact CA-O 3.3Å; Y484-N493 WeakPolarHBondContact CA-O 3.25Å; Y484-N493 HydrophobicContact CD2-CB 4.42Å; Y484-N493 HydrophobicContact CE2-CB 4.23Å; D485-N493 PolarHBondContact N-O 3.02Å; D485-N493 WeakPolarHBondContact O-CB 3.49Å; E488-N493 HydrophobicContact CB-CB 4.19Å; G491-N493 VanDerWaalsContact C-N 3.31Å; G491-N493 VanDerWaalsContact C-OD1 3.32Å; G491-N493 WeakPolarHBondContact CA-OD1 3.2Å; G491-N493 PolarHBondContact N-OD1 2.8Å
494	F	92.9	Very high	88.5	Confident	38 Å²	38	70 Å²	70	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	173.7	-64.8	-82.3	0	0	0	112.4	I427 K443 L444 P445 F482 L483 Y484 E492	I427-F494 HydrophobicContact CD1-CZ 4.04Å; K443-F494 WeakPolarHBondContact O-CE2 3.38Å; K443-F494 WeakPolarHBondContact O-CZ 3.36Å; L444-F494 HydrophobicContact CD2-CE1 4.12Å; L444-F494 HydrophobicContact CD2-CZ 4.35Å; P445-F494 HydrophobicContact CG-CB 4.23Å; P445-F494 HydrophobicContact CG-CD1 3.94Å; P445-F494 HydrophobicContact CG-CD2 4.25Å; P445-F494 HydrophobicContact CG-CE1 4.36Å; P445-F494 HydrophobicContact CG-CG 3.87Å; F482-F494 AromaticContact CD2-CD1 3.78Å; F482-F494 HydrophobicContact CD2-CD1 3.78Å; F482-F494 HydrophobicContact CD2-CE1 4.36Å; F482-F494 AromaticContact CE2-CD1 3.86Å; F482-F494 HydrophobicContact CE2-CD1 3.86Å; F482-F494 AromaticContact CE2-CE1 3.98Å; F482-F494 HydrophobicContact CE2-CE1 3.98Å; L483-F494 CarbonylContact O-C 3.52Å; L483-F494 VanDerWaalsContact O-CA 3.31Å; L483-F494 WeakPolarHBondContact O-CA 3.29Å; Y484-F494 AromaticContact CD2-CD1 3.92Å; Y484-F494 HydrophobicContact CD2-CD1 3.92Å; Y484-F494 AromaticContact CD2-CE1 3.36Å; Y484-F494 HydrophobicContact CD2-CE1 3.36Å; Y484-F494 HydrophobicContact CD2-CE2 4.03Å; Y484-F494 HydrophobicContact CD2-CG 4.48Å; Y484-F494 AromaticContact CD2-CZ 3.42Å; Y484-F494 HydrophobicContact CD2-CZ 3.42Å; Y484-F494 VanDerWaalsContact CD2-CZ 3.42Å; Y484-F494 HydrophobicContact CE2-CE1 4.19Å; Y484-F494 HydrophobicContact CE2-CE2 4.23Å; Y484-F494 AromaticContact CE2-CZ 3.79Å; Y484-F494 HydrophobicContact CE2-CZ 3.79Å; Y484-F494 HydrophobicContact CG-CD1 4.45Å; Y484-F494 AromaticContact CG-CE1 3.9Å; Y484-F494 HydrophobicContact CG-CE1 3.9Å; Y484-F494 HydrophobicContact CG-CZ 4.32Å; E492-F494 PolarHBondContact O-N 3.41Å
495	K	92.7	Very high	88.4	Confident	145 Å²	145	70.3 Å²	70.3	63%	0.63	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.3	176	-177.6	176.7	-179.4	174	0	111.3	F482 L483	F482-K495 CarbonylContact C-O 3.58Å; F482-K495 VanDerWaalsContact CA-O 3.29Å; F482-K495 WeakPolarHBondContact CA-O 3.11Å; F482-K495 WeakPolarHBondContact CB-O 3.42Å; L483-K495 HydrophobicContact CB-CB 4.4Å; L483-K495 PolarHBondContact N-O 3.14Å; L483-K495 PolarHBondContact O-N 2.77Å
496	F	94.2	Very high	88.3	Confident	118 Å²	118	69.1 Å²	69.1	52%	0.518	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.5	176.6	-71.6	-85.3	0	0	0	112.2	P445 F446 F482	P445-F496 HydrophobicContact CB-CZ 3.94Å; P445-F496 HydrophobicContact CG-CZ 4.08Å; F446-F496 AromaticContact CE1-CE1 3.82Å; F446-F496 HydrophobicContact CE1-CE1 3.82Å; F446-F496 HydrophobicContact CE1-CZ 4.03Å; F446-F496 HydrophobicContact CZ-CE1 4.16Å; F482-F496 HydrophobicContact CB-CD1 4.02Å; F482-F496 HydrophobicContact CB-CE1 4.35Å; F482-F496 HydrophobicContact CB-CG 4.43Å; F482-F496 HydrophobicContact CD1-CE1 4.39Å
497	L	94.9	Very high	88.6	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.11	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-102.5	167.9	173.8	-63.5	-179.6	0	0	0	109.7	M463 A481 L483 K499 F542	M463-L497 HydrophobicContact CE-CD1 4.1Å; M463-L497 HydrophobicContact CG-CD1 4.33Å; M463-L497 HydrophobicContact SD-CD1 4.17Å; A481-L497 HydrophobicContact CB-CB 4.06Å; A481-L497 WeakPolarHBondContact O-CB 3.13Å; A481-L497 PolarHBondContact O-N 2.85Å; L483-L497 HydrophobicContact CD1-CD2 4.1Å; L483-L497 HydrophobicContact CD2-CD1 4.04Å; L483-L497 HydrophobicContact CG-CD1 3.95Å; L483-L497 HydrophobicContact CG-CD2 4.21Å; L483-L497 HydrophobicContact CG-CG 4.15Å; L497-K499 PolarHBondContact O-N 2.78Å; L497-F542 HydrophobicContact CB-CZ 4.48Å; L497-F542 HydrophobicContact CD1-CE1 4.08Å; L497-F542 HydrophobicContact CD1-CZ 4.19Å; L497-F542 HydrophobicContact CD2-CE1 4.47Å; L497-F542 HydrophobicContact CD2-CZ 4.14Å
498	P	95.5	Very high	89	Confident	39 Å²	39	63.1 Å²	63.1	25%	0.253	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-52.2	136.1	169.5	-24.3	31.7	0	0	0	111.6	F542 N547 W549	P498-F542 HydrophobicContact CG-CE2 4.12Å; P498-N547 WeakPolarHBondContact CD-OD1 3.32Å; P498-N547 WeakPolarHBondContact CG-O 3.38Å; P498-N547 WeakPolarHBondContact CG-OD1 3.43Å; P498-W549 PolarHBondContact O-NE1 3.19Å
499	K	95.2	Very high	89.5	Confident	129 Å²	129	58.9 Å²	58.9	56%	0.561	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-54.2	146.5	176.8	-75.6	165.9	163.1	-88.2	0	111.4	D479 L497	D479-K499 VanDerWaalsContact CG-NZ 3.26Å; D479-K499 CarbonylContact O-C 3.51Å; D479-K499 WeakPolarHBondContact O-CA 3.45Å; D479-K499 IonicContact OD1-NZ 2.83Å; D479-K499 PolarHBondContact OD1-NZ 2.7Å; D479-K499 WeakPolarHBondContact OD2-CD 3.29Å; D479-K499 IonicContact OD2-NZ 2.59Å; D479-K499 PolarHBondContact OD2-NZ 3.07Å; L497-K499 PolarHBondContact O-N 2.78Å
500	L	94.8	Very high	90.5	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-58.6	147.2	171.9	-65.8	173.7	0	0	0	110.1	A465 D479 M502 L520 W549	A465-L500 HydrophobicContact CB-CD1 4.31Å; A465-L500 HydrophobicContact CB-CD2 4.3Å; D479-L500 HydrophobicContact CB-CB 4.33Å; D479-L500 PolarHBondContact O-N 3.02Å; L500-M502 VanDerWaalsContact CB-O 3.25Å; L500-M502 WeakPolarHBondContact CB-O 3.41Å; L500-M502 PolarHBondContact O-N 3.18Å; L500-L520 HydrophobicContact CD1-CD1 4.16Å; L500-L520 HydrophobicContact CD2-CD1 3.67Å; L500-W549 HydrophobicContact CD2-CD2 4.11Å; L500-W549 HydrophobicContact CD2-CE3 4.38Å; L500-W549 HydrophobicContact CD2-CH2 3.72Å; L500-W549 HydrophobicContact CD2-CZ2 3.41Å; L500-W549 VanDerWaalsContact CD2-CZ2 3.41Å; L500-W549 HydrophobicContact CD2-CZ3 4.2Å
501	P	93.7	Very high	91.4	Very high	72 Å²	72	44.9 Å²	44.9	47%	0.468	24%	0.24	S	C	.	.	S	Bend	trans	-60.4	-16.4	176.3	-25.8	36.5	0	0	0	114.1	F540 W549	P501-F540 HydrophobicContact CB-CD1 4.32Å; P501-F540 HydrophobicContact CB-CE1 3.75Å; P501-F540 HydrophobicContact CB-CZ 3.87Å; P501-F540 HydrophobicContact CG-CD1 3.75Å; P501-F540 HydrophobicContact CG-CE1 3.71Å; P501-F540 HydrophobicContact CG-CG 4.23Å; P501-F540 HydrophobicContact CG-CZ 4.14Å; P501-W549 HydrophobicContact CG-CB 3.66Å; P501-W549 HydrophobicContact CG-CG 4.33Å
502	M	93.4	Very high	92.1	Very high	25 Å²	25	42 Å²	42	12%	0.123	21%	0.211	C	C	.	.	S	Bend	trans	-156.9	151.3	174.6	53.1	179	55.5	0	0	109.5	L500 L504 M525 K538 F540	L500-M502 VanDerWaalsContact CB-O 3.25Å; L500-M502 WeakPolarHBondContact CB-O 3.41Å; L500-M502 PolarHBondContact O-N 3.18Å; M502-L504 HydrophobicContact CG-CD1 3.93Å; M502-L504 HydrophobicContact CG-CD2 4.24Å; M502-L504 HydrophobicContact CG-CG 3.94Å; M502-L504 HydrophobicContact SD-CD1 4.32Å; M502-L504 HydrophobicContact SD-CD2 4.04Å; M502-L504 HydrophobicContact SD-CG 4.37Å; M502-M525 HydrophobicContact SD-SD 4.14Å; M502-K538 HydrophobicContact CE-CD 3.55Å; M502-K538 VanDerWaalsContact CE-NZ 3.34Å; M502-K538 HydrophobicContact SD-CD 4.2Å; M502-F540 HydrophobicContact CE-CZ 4.13Å; M502-F540 HydrophobicContact CG-CE2 3.96Å; M502-F540 HydrophobicContact CG-CZ 4.19Å; M502-F540 HydrophobicContact SD-CE2 4.02Å; M502-F540 HydrophobicContact SD-CZ 4.18Å
503	P	93.3	Very high	91.8	Very high	49 Å²	49	37.6 Å²	37.6	32%	0.318	20%	0.196	S	C	.	.			trans	-73.3	133.8	175.3	32.7	-35.9	0	0	0	110.3	P477 S478 D479	P477-P503 HydrophobicContact CB-CB 3.95Å; P477-P503 WeakPolarHBondContact O-CB 3.44Å; S478-P503 WeakPolarHBondContact O-CA 3.32Å; D479-P503 HydrophobicContact CB-CB 4.12Å
504	L	93.3	Very high	90.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.221	C	C	.	.			trans	-141.7	141	-172	-70.1	168.9	0	0	0	111.3	G466 G467 S478 M502 A507 L520 R524 M525 F540	G466-L504 CarbonylContact C-O 3.55Å; G466-L504 VanDerWaalsContact CA-O 3.3Å; G466-L504 WeakPolarHBondContact CA-O 3.12Å; G467-L504 PolarHBondContact N-O 3.18Å; S478-L504 PolarHBondContact O-N 3.23Å; M502-L504 HydrophobicContact CG-CD1 3.93Å; M502-L504 HydrophobicContact CG-CD2 4.24Å; M502-L504 HydrophobicContact CG-CG 3.94Å; M502-L504 HydrophobicContact SD-CD1 4.32Å; M502-L504 HydrophobicContact SD-CD2 4.04Å; M502-L504 HydrophobicContact SD-CG 4.37Å; L504-A507 HydrophobicContact CB-CB 4.41Å; L504-L520 HydrophobicContact CD1-CD2 3.42Å; L504-L520 VanDerWaalsContact CD1-CD2 3.42Å; L504-R524 CarbonylContact C-O 3.45Å; L504-R524 WeakPolarHBondContact CA-O 3.24Å; L504-M525 HydrophobicContact CD2-CG 3.89Å; L504-F540 HydrophobicContact CD1-CE2 4.4Å
505	I	91.4	Very high	90.1	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-114.3	146.4	173.7	-51.9	154.6	0	0	0	108.4	D450 L468 P477 A507 G523 R524 V527	D450-I505 HydrophobicContact CB-CG2 3.64Å; L468-I505 HydrophobicContact CD1-CG2 4.25Å; L468-I505 HydrophobicContact CD2-CD1 3.3Å; L468-I505 HydrophobicContact CD2-CG1 3.74Å; L468-I505 HydrophobicContact CD2-CG2 4.49Å; L468-I505 HydrophobicContact CG-CD1 3.89Å; L468-I505 HydrophobicContact CG-CG1 3.91Å; L468-I505 HydrophobicContact CG-CG2 3.84Å; P477-I505 HydrophobicContact CB-CD1 3.86Å; P477-I505 HydrophobicContact CB-CG1 3.8Å; P477-I505 HydrophobicContact CG-CD1 3.62Å; P477-I505 HydrophobicContact CG-CG1 4.16Å; I505-A507 PolarHBondContact O-N 2.82Å; I505-G523 CarbonylContact O-C 3.53Å; I505-G523 VanDerWaalsContact O-CA 3.32Å; I505-G523 WeakPolarHBondContact O-CA 3.38Å; I505-R524 PolarHBondContact N-O 3.08Å; I505-R524 PolarHBondContact O-N 3.07Å; I505-V527 HydrophobicContact CD1-CG2 4.1Å
506	S	90.1	Very high	89.4	Confident	10 Å²	10	40.7 Å²	40.7	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	54.5	32.4	173.3	-64.3	0	0	0	0	113.7	D450 N561	D450-S506 PolarHBondContact O-N 2.65Å; S506-N561 WeakPolarHBondContact CB-OD1 3.27Å; S506-N561 PolarHBondContact O-N 2.94Å; S506-N561 PolarHBondContact OG-OD1 2.68Å
507	A	93.6	Very high	89.2	Confident	8 Å²	8	36 Å²	36	7%	0.066	20%	0.2	C	C	.	.			trans	-72.8	163.5	170.8	0	0	0	0	0	110.3	C452 L504 I505 L520	C452-A507 WeakPolarHBondContact CB-O 3.03Å; C452-A507 PolarHBondContact SG-O 3.36Å; L504-A507 HydrophobicContact CB-CB 4.41Å; I505-A507 PolarHBondContact O-N 2.82Å; A507-L520 HydrophobicContact CB-CD1 4.26Å; A507-L520 HydrophobicContact CB-CD2 3.78Å; A507-L520 HydrophobicContact CB-CG 3.9Å
508	A	93.9	Very high	89.2	Confident	3 Å²	3	35 Å²	35	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.8	178.8	0	0	0	0	0	111	L520 C521 A562 S564	A508-L520 WeakPolarHBondContact O-CA 3.17Å; A508-C521 HydrophobicContact CB-CB 4.35Å; A508-C521 PolarHBondContact N-O 3.24Å; A508-C521 PolarHBondContact O-N 3.11Å; A508-A562 HydrophobicContact CB-CB 4.28Å; A508-A562 VanDerWaalsContact CB-O 3.27Å; A508-A562 WeakPolarHBondContact CB-O 3.21Å; A508-S564 VanDerWaalsContact CB-OG 3.25Å; A508-S564 WeakPolarHBondContact CB-OG 3.02Å; A508-S564 PolarHBondContact O-OG 2.81Å
509	L	95.1	Very high	89.2	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.7	178.1	-74.7	172.2	0	0	0	112.2	C452 L454 A465 V518 F519 L520 S564	C452-L509 HydrophobicContact CB-CD1 3.9Å; C452-L509 HydrophobicContact CB-CG 4.02Å; C452-L509 VanDerWaalsContact SG-CB 3.56Å; C452-L509 WeakPolarHBondContact SG-CG 3.24Å; C452-L509 PolarHBondContact SG-N 3.25Å; L454-L509 HydrophobicContact CB-CB 3.93Å; L454-L509 HydrophobicContact CB-CD1 4.13Å; L454-L509 HydrophobicContact CD2-CB 4.16Å; A465-L509 HydrophobicContact CB-CD1 4Å; A465-L509 HydrophobicContact CB-CD2 4.11Å; A465-L509 HydrophobicContact CB-CG 4.46Å; L509-V518 HydrophobicContact CD2-CG1 3.75Å; L509-F519 CarbonylContact C-O 3.52Å; L509-F519 VanDerWaalsContact CA-O 3.29Å; L509-F519 WeakPolarHBondContact CA-O 3.15Å; L509-L520 HydrophobicContact CD2-CB 3.94Å; L509-L520 HydrophobicContact CD2-CD1 4.05Å; L509-L520 HydrophobicContact CD2-CG 4.19Å; L509-S564 PolarHBondContact N-OG 2.9Å; L509-S564 PolarHBondContact O-OG 2.9Å
510	A	93.2	Very high	89.2	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.3	173.2	0	0	0	0	0	111.1	V518 F519 V566 L571	A510-V518 CarbonylContact O-C 3.57Å; A510-V518 WeakPolarHBondContact O-CA 3.42Å; A510-F519 PolarHBondContact N-O 2.74Å; A510-F519 PolarHBondContact O-N 3.44Å; A510-V566 HydrophobicContact CB-CG2 4.12Å; A510-L571 HydrophobicContact CB-CD1 3.57Å
511	C	89	Confident	89.2	Confident	20 Å²	20	27 Å²	27	14%	0.135	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.9	179.7	177.3	0	0	0	0	109.7	L454 L456 V518 V566	L454-C511 HydrophobicContact CD2-CB 3.5Å; L454-C511 HydrophobicContact CG-CB 4.42Å; L456-C511 HydrophobicContact CD2-CB 4.09Å; C511-V518 HydrophobicContact CB-CG2 4.38Å; C511-V566 WeakPolarHBondContact O-CB 3.45Å
512	D	82.8	Confident	89.2	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	102.1	163.4	175.2	18.5	0	0	0	107.6	V514 E515 N516 Q517 F519 V566 L651 R652	D512-V514 PolarHBondContact O-N 3.02Å; D512-V514 PolarHBondContact OD1-N 2.66Å; D512-E515 WeakPolarHBondContact OD2-CB 3.38Å; D512-N516 WeakPolarHBondContact O-CA 3.03Å; D512-N516 PolarHBondContact O-N 2.85Å; D512-Q517 HydrophobicContact CB-CG 3.77Å; D512-Q517 PolarHBondContact N-O 2.84Å; D512-Q517 PolarHBondContact O-N 2.82Å; D512-Q517 VanDerWaalsContact O-N 3.16Å; D512-Q517 PolarHBondContact OD2-NE2 2.91Å; D512-F519 HydrophobicContact CB-CE2 4Å; D512-V566 HydrophobicContact CB-CG2 4.28Å; D512-L651 HydrophobicContact CB-CD1 4.21Å; D512-R652 VanDerWaalsContact CG-NH1 3.29Å; D512-R652 IonicContact OD1-CZ 2.89Å; D512-R652 IonicContact OD1-NH1 3.82Å; D512-R652 PolarHBondContact OD1-NH1 3.18Å; D512-R652 IonicContact OD1-NH2 2.85Å; D512-R652 PolarHBondContact OD1-NH2 3.16Å; D512-R652 IonicContact OD2-NH1 3.49Å; D512-R652 PolarHBondContact OD2-NH1 2.81Å
513	T	74.7	Confident	89.2	Confident	75 Å²	75	22.3 Å²	22.3	46%	0.46	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.1	-176	50.3	0	0	0	0	112.6
514	V	72	Confident	89	Confident	97 Å²	97	21.4 Å²	21.4	59%	0.588	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-52.2	-177.9	179.5	0	0	0	0	110.6	D512 N516	D512-V514 PolarHBondContact O-N 3.02Å; D512-V514 PolarHBondContact OD1-N 2.66Å; V514-N516 VanDerWaalsContact C-N 3.31Å
515	E	74.4	Confident	88.8	Confident	114 Å²	114	24.9 Å²	24.9	53%	0.533	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	-180	-66.4	-65.5	146.8	0	0	113	D512 Q517	D512-E515 WeakPolarHBondContact OD2-CB 3.38Å; E515-Q517 HydrophobicContact CB-CG 3.97Å; E515-Q517 PolarHBondContact O-N 3.34Å
516	N	79.6	Confident	88.4	Confident	46 Å²	46	26.2 Å²	26.2	25%	0.246	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	58.8	-177.4	-179	32.6	0	0	0	111.2	H458 K459 D512 V514 F544	H458-N516 PolarHBondContact NE2-OD1 2.78Å; K459-N516 WeakPolarHBondContact CE-OD1 3.45Å; D512-N516 WeakPolarHBondContact O-CA 3.03Å; D512-N516 PolarHBondContact O-N 2.85Å; V514-N516 VanDerWaalsContact C-N 3.31Å; N516-F544 WeakPolarHBondContact O-CD2 3.33Å; N516-F544 WeakPolarHBondContact OD1-CD2 3.44Å
517	Q	89.3	Confident	87.7	Confident	19 Å²	19	27.3 Å²	27.3	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.2	-178.8	64.7	-174.3	-0.9	0	0	111.1	D512 E515 F519 F542 K543	D512-Q517 HydrophobicContact CB-CG 3.77Å; D512-Q517 PolarHBondContact N-O 2.84Å; D512-Q517 PolarHBondContact O-N 2.82Å; D512-Q517 VanDerWaalsContact O-N 3.16Å; D512-Q517 PolarHBondContact OD2-NE2 2.91Å; E515-Q517 HydrophobicContact CB-CG 3.97Å; E515-Q517 PolarHBondContact O-N 3.34Å; Q517-F519 HydrophobicContact CG-CE2 4Å; Q517-F519 HydrophobicContact CG-CZ 4.22Å; Q517-F542 VanDerWaalsContact CA-O 3.31Å; Q517-F542 WeakPolarHBondContact CA-O 3.43Å; Q517-K543 HydrophobicContact CB-CG 4.21Å
518	V	94.6	Very high	86.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.3	-177.8	177.8	0	0	0	0	109.7	L454 L456 M463 L509 A510 C511 C541 F542 F544	L454-V518 HydrophobicContact CD2-CG1 4.18Å; L456-V518 HydrophobicContact CD2-CG2 3.78Å; M463-V518 HydrophobicContact CE-CB 4.44Å; M463-V518 HydrophobicContact CE-CG1 4.15Å; M463-V518 HydrophobicContact SD-CB 4.1Å; M463-V518 HydrophobicContact SD-CG1 3.95Å; M463-V518 HydrophobicContact SD-CG2 3.89Å; L509-V518 HydrophobicContact CD2-CG1 3.75Å; A510-V518 CarbonylContact O-C 3.57Å; A510-V518 WeakPolarHBondContact O-CA 3.42Å; C511-V518 HydrophobicContact CB-CG2 4.38Å; V518-C541 CarbonylContact O-C 3.51Å; V518-C541 WeakPolarHBondContact O-CA 3.46Å; V518-F542 PolarHBondContact N-O 3.28Å; V518-F542 PolarHBondContact O-N 2.91Å; V518-F544 HydrophobicContact CG2-CE2 3.86Å; V518-F544 HydrophobicContact CG2-CZ 4.34Å
519	F	95.3	Very high	85.2	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.6	175.1	-62.5	-84.7	0	0	0	110.3	L509 A510 D512 Q517 V539 F540 C541 V552 V566 L571 L651	L509-F519 CarbonylContact C-O 3.52Å; L509-F519 VanDerWaalsContact CA-O 3.29Å; L509-F519 WeakPolarHBondContact CA-O 3.15Å; A510-F519 PolarHBondContact N-O 2.74Å; A510-F519 PolarHBondContact O-N 3.44Å; D512-F519 HydrophobicContact CB-CE2 4Å; Q517-F519 HydrophobicContact CG-CE2 4Å; Q517-F519 HydrophobicContact CG-CZ 4.22Å; F519-V539 HydrophobicContact CD1-CG1 4.28Å; F519-F540 CarbonylContact C-O 3.59Å; F519-F540 VanDerWaalsContact CA-O 3.24Å; F519-F540 WeakPolarHBondContact CA-O 3.48Å; F519-C541 HydrophobicContact CD1-CB 3.93Å; F519-C541 HydrophobicContact CE1-CB 3.84Å; F519-V552 HydrophobicContact CD1-CG2 4.11Å; F519-V552 HydrophobicContact CE1-CG2 4.04Å; F519-V566 HydrophobicContact CD2-CG2 4.45Å; F519-L571 HydrophobicContact CB-CD1 4.28Å; F519-L571 HydrophobicContact CB-CD2 4.08Å; F519-L571 HydrophobicContact CD1-CD2 4.02Å; F519-L571 HydrophobicContact CD2-CD1 4.45Å; F519-L571 HydrophobicContact CD2-CD2 4.35Å; F519-L571 HydrophobicContact CG-CD1 4.46Å; F519-L571 HydrophobicContact CG-CD2 3.88Å; F519-L651 HydrophobicContact CE1-CD2 4.34Å; F519-L651 HydrophobicContact CE2-CD1 3.91Å; F519-L651 HydrophobicContact CE2-CD2 4.11Å; F519-L651 HydrophobicContact CZ-CD1 4.26Å; F519-L651 HydrophobicContact CZ-CD2 3.7Å
520	L	96.2	Very high	83.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.7	169.8	-174.4	150.7	0	0	0	108.1	A465 L500 L504 A507 A508 L509 V539 F540 W549	A465-L520 HydrophobicContact CB-CD1 3.8Å; L500-L520 HydrophobicContact CD1-CD1 4.16Å; L500-L520 HydrophobicContact CD2-CD1 3.67Å; L504-L520 HydrophobicContact CD1-CD2 3.42Å; L504-L520 VanDerWaalsContact CD1-CD2 3.42Å; A507-L520 HydrophobicContact CB-CD1 4.26Å; A507-L520 HydrophobicContact CB-CD2 3.78Å; A507-L520 HydrophobicContact CB-CG 3.9Å; A508-L520 WeakPolarHBondContact O-CA 3.17Å; L509-L520 HydrophobicContact CD2-CB 3.94Å; L509-L520 HydrophobicContact CD2-CD1 4.05Å; L509-L520 HydrophobicContact CD2-CG 4.19Å; L520-V539 CarbonylContact O-C 3.47Å; L520-V539 WeakPolarHBondContact O-CA 3.41Å; L520-F540 HydrophobicContact CB-CB 4.5Å; L520-F540 HydrophobicContact CD2-CD2 4.18Å; L520-F540 PolarHBondContact N-O 2.73Å; L520-F540 PolarHBondContact O-N 3.08Å; L520-W549 HydrophobicContact CB-CH2 4.21Å; L520-W549 HydrophobicContact CB-CZ3 3.82Å; L520-W549 HydrophobicContact CD1-CH2 4.32Å
521	C	95.2	Very high	82.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.7	-172.5	-57	0	0	0	0	110.9	A508 V539 V573	A508-C521 HydrophobicContact CB-CB 4.35Å; A508-C521 PolarHBondContact N-O 3.24Å; A508-C521 PolarHBondContact O-N 3.11Å; C521-V539 HydrophobicContact CB-CG2 4.42Å; C521-V573 HydrophobicContact CB-CG1 4.44Å; C521-V573 HydrophobicContact CB-CG2 3.9Å
522	G	93.5	Very high	81.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.			trans	66.1	-142.5	172	0	0	0	0	0	113.8	S536 K538 R559	G522-S536 VanDerWaalsContact CA-O 3.29Å; G522-S536 WeakPolarHBondContact CA-O 3.14Å; G522-K538 PolarHBondContact N-O 3.44Å; G522-R559 WeakPolarHBondContact CA-O 3.45Å
523	G	92	Very high	81.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.			trans	103.6	172.5	-177.1	0	0	0	0	0	113.3	I505 S536 R559	I505-G523 CarbonylContact O-C 3.53Å; I505-G523 VanDerWaalsContact O-CA 3.32Å; I505-G523 WeakPolarHBondContact O-CA 3.38Å; G523-S536 WeakPolarHBondContact O-CB 3.34Å; G523-S536 PolarHBondContact O-N 3.05Å; G523-R559 PolarHBondContact N-O 2.73Å
524	R	88.9	Confident	81.6	Confident	29 Å²	29	47.6 Å²	47.6	11%	0.109	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-114.5	139.3	-178.4	-162.1	179.5	174.7	-155.8	-5.7	110.8	L504 I505 S526 V527 G529 D534 Y560	L504-R524 CarbonylContact C-O 3.45Å; L504-R524 WeakPolarHBondContact CA-O 3.24Å; I505-R524 PolarHBondContact N-O 3.08Å; I505-R524 PolarHBondContact O-N 3.07Å; R524-S526 VanDerWaalsContact CD-O 3.25Å; R524-S526 WeakPolarHBondContact CD-O 3.2Å; R524-S526 WeakPolarHBondContact CG-O 3.25Å; R524-S526 PolarHBondContact NE-O 2.87Å; R524-S526 VanDerWaalsContact NE-O 3.09Å; R524-V527 VanDerWaalsContact CZ-O 3.27Å; R524-V527 PolarHBondContact NH1-O 3.4Å; R524-V527 PolarHBondContact NH2-O 3Å; R524-V527 VanDerWaalsContact NH2-O 3.11Å; R524-G529 PolarHBondContact NH2-O 3.37Å; R524-D534 CarbonylContact C-O 3.5Å; R524-D534 VanDerWaalsContact CA-O 3.32Å; R524-D534 WeakPolarHBondContact CA-O 3.26Å; R524-D534 WeakPolarHBondContact CG-O 3.28Å; R524-Y560 HydrophobicContact CB-CD1 4.41Å; R524-Y560 HydrophobicContact CB-CG 4.15Å
525	M	89.4	Confident	82.3	Confident	74 Å²	74	43.4 Å²	43.4	37%	0.365	23%	0.225	S	C	.	.	S	Bend	trans	-93.8	-11.4	-175.1	-63.7	178.6	58.8	0	0	113.5	P477 M502 L504 D534	P477-M525 VanDerWaalsContact CG-O 3.24Å; P477-M525 WeakPolarHBondContact CG-O 3.41Å; M502-M525 HydrophobicContact SD-SD 4.14Å; L504-M525 HydrophobicContact CD2-CG 3.89Å; M525-D534 PolarHBondContact N-O 3.08Å
526	S	83.8	Confident	83.1	Confident	36 Å²	36	38.3 Å²	38.3	25%	0.252	20%	0.202	S	C	.	.			trans	-141	147.9	-177.1	179.5	0	0	0	0	110.9	R524 G529 D534	R524-S526 VanDerWaalsContact CD-O 3.25Å; R524-S526 WeakPolarHBondContact CD-O 3.2Å; R524-S526 WeakPolarHBondContact CG-O 3.25Å; R524-S526 PolarHBondContact NE-O 2.87Å; R524-S526 VanDerWaalsContact NE-O 3.09Å; S526-G529 PolarHBondContact OG-N 3.03Å; S526-G529 VanDerWaalsContact OG-N 3.09Å; S526-D534 WeakPolarHBondContact CB-OD1 3.47Å
527	V	76.2	Confident	83.7	Confident	33 Å²	33	38.7 Å²	38.7	20%	0.2	21%	0.205	C	C	.	.	S	Bend	trans	-74.8	-42.6	178.3	-167.5	0	0	0	0	111.2	L468 M475 P477 I505 R524	L468-V527 HydrophobicContact CD2-CG2 3.52Å; M475-V527 WeakPolarHBondContact O-CG2 3.48Å; P477-V527 HydrophobicContact CG-CG2 4.44Å; I505-V527 HydrophobicContact CD1-CG2 4.1Å; R524-V527 VanDerWaalsContact CZ-O 3.27Å; R524-V527 PolarHBondContact NH1-O 3.4Å; R524-V527 PolarHBondContact NH2-O 3Å; R524-V527 VanDerWaalsContact NH2-O 3.11Å
528	Y	69.9	Low	83.9	Confident	169 Å²	169	41.1 Å²	41.1	66%	0.663	22%	0.215	S	C	*	.	S	Bend	trans	-112.6	-1.6	-171.9	-52.7	-67.5	0	0	0	113.3
529	G	63.5	Low	84	Confident	14 Å²	14	41.1 Å²	41.1	14%	0.144	22%	0.215	C	C	.	.			trans	-69.6	131.1	-174.8	0	0	0	0	0	112.7	R524 S526 D534 F640	R524-G529 PolarHBondContact NH2-O 3.37Å; S526-G529 PolarHBondContact OG-N 3.03Å; S526-G529 VanDerWaalsContact OG-N 3.09Å; G529-D534 WeakPolarHBondContact CA-OD2 3.39Å; G529-F640 WeakPolarHBondContact O-CZ 3.35Å
530	S	65.2	Low	84	Confident	65 Å²	65	41.1 Å²	41.1	46%	0.455	22%	0.215	S	C	.	.			trans	-106.3	10.4	-177.3	59	0	0	0	0	113.2	D534 P639	S530-D534 PolarHBondContact N-OD2 3.47Å; S530-D534 VanDerWaalsContact N-OD2 3.14Å; S530-P639 VanDerWaalsContact O-CD 3.25Å; S530-P639 WeakPolarHBondContact O-CD 3.39Å; S530-P639 WeakPolarHBondContact O-CG 3.37Å
531	E	68.2	Low	83.9	Confident	129 Å²	129	41.2 Å²	41.2	60%	0.603	22%	0.215	S	C	*	.	S	Bend	trans	-95.7	156.6	-174.4	-63.6	-172.7	179.5	0	0	112.3	S533 D534 I579	E531-S533 VanDerWaalsContact CB-OG 3.31Å; E531-S533 WeakPolarHBondContact CB-OG 3.39Å; E531-S533 PolarHBondContact O-N 2.92Å; E531-S533 PolarHBondContact OE2-OG 2.83Å; E531-S533 VanDerWaalsContact OE2-OG 3.12Å; E531-D534 PolarHBondContact N-OD2 3.47Å; E531-D534 WeakPolarHBondContact O-CB 3.14Å; E531-D534 PolarHBondContact O-N 3.46Å; E531-I579 WeakPolarHBondContact O-CD1 2.94Å
532	I	66.7	Low	83.9	Confident	72 Å²	72	41.1 Å²	41.1	37%	0.369	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-55.4	-37.7	172.3	-66.4	161.9	0	0	0	112.2	D534 I535 I579 E581	I532-D534 PolarHBondContact O-N 2.89Å; I532-I535 PolarHBondContact O-N 2.94Å; I532-I579 VanDerWaalsContact CA-CD1 3.41Å; I532-I579 HydrophobicContact CB-CD1 4.36Å; I532-I579 HydrophobicContact CG1-CB 4.49Å; I532-I579 HydrophobicContact CG1-CD1 4.24Å; I532-I579 HydrophobicContact CG1-CG2 3.85Å; I532-E581 HydrophobicContact CD1-CB 3.84Å; I532-E581 HydrophobicContact CD1-CG 4.26Å; I532-E581 WeakPolarHBondContact CD1-OE2 3.43Å; I532-E581 HydrophobicContact CG1-CB 4.44Å
533	S	75.9	Confident	83.8	Confident	72 Å²	72	44.4 Å²	44.4	50%	0.503	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-61	-21	179.2	54.1	0	0	0	0	113.1	E531	E531-S533 VanDerWaalsContact CB-OG 3.31Å; E531-S533 WeakPolarHBondContact CB-OG 3.39Å; E531-S533 PolarHBondContact O-N 2.92Å; E531-S533 PolarHBondContact OE2-OG 2.83Å; E531-S533 VanDerWaalsContact OE2-OG 3.12Å
534	D	83.2	Confident	83.6	Confident	24 Å²	24	46.3 Å²	46.3	13%	0.128	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-76.2	-22.6	-178.9	-67.7	-52	0	0	0	113.1	R524 M525 S526 G529 S530 E531 I532	R524-D534 CarbonylContact C-O 3.5Å; R524-D534 VanDerWaalsContact CA-O 3.32Å; R524-D534 WeakPolarHBondContact CA-O 3.26Å; R524-D534 WeakPolarHBondContact CG-O 3.28Å; M525-D534 PolarHBondContact N-O 3.08Å; S526-D534 WeakPolarHBondContact CB-OD1 3.47Å; G529-D534 WeakPolarHBondContact CA-OD2 3.39Å; S530-D534 PolarHBondContact N-OD2 3.47Å; S530-D534 VanDerWaalsContact N-OD2 3.14Å; E531-D534 PolarHBondContact N-OD2 3.47Å; E531-D534 WeakPolarHBondContact O-CB 3.14Å; E531-D534 PolarHBondContact O-N 3.46Å; I532-D534 PolarHBondContact O-N 2.89Å
535	I	88.1	Confident	83.5	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.041	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-99.1	120.3	177.4	-55.2	-176.5	0	0	0	109.7	I532 P558 R559 Y560 I579 F640	I532-I535 PolarHBondContact O-N 2.94Å; I535-P558 HydrophobicContact CB-CB 4.08Å; I535-P558 HydrophobicContact CG2-CB 3.66Å; I535-R559 VanDerWaalsContact CG2-CA 3.5Å; I535-Y560 HydrophobicContact CD1-CD1 3.79Å; I535-Y560 HydrophobicContact CD1-CE1 3.85Å; I535-Y560 HydrophobicContact CG1-CD1 4.07Å; I535-Y560 HydrophobicContact CG1-CE1 4.39Å; I535-Y560 HydrophobicContact CG2-CD1 4.44Å; I535-I579 HydrophobicContact CB-CD1 4.41Å; I535-I579 HydrophobicContact CD1-CD1 3.5Å; I535-I579 VanDerWaalsContact CD1-CD1 3.5Å; I535-I579 HydrophobicContact CD1-CG1 3.51Å; I535-I579 HydrophobicContact CG1-CD1 3.76Å; I535-I579 HydrophobicContact CG1-CG1 4.33Å; I535-F640 HydrophobicContact CD1-CD1 3.93Å; I535-F640 HydrophobicContact CD1-CE1 3.81Å; I535-F640 HydrophobicContact CG1-CE1 4.25Å
536	S	91.4	Very high	83.5	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.049	28%	0.276	C	S	.	.			trans	-74.8	136.7	175.4	-179.2	0	0	0	0	110.8	G522 G523 K538 R559	G522-S536 VanDerWaalsContact CA-O 3.29Å; G522-S536 WeakPolarHBondContact CA-O 3.14Å; G523-S536 WeakPolarHBondContact O-CB 3.34Å; G523-S536 PolarHBondContact O-N 3.05Å; S536-K538 PolarHBondContact OG-N 3.48Å; S536-R559 PolarHBondContact O-N 2.85Å
537	N	91.7	Very high	83.9	Confident	55 Å²	55	52.8 Å²	52.8	29%	0.294	29%	0.285	S	S	.	.			trans	-103.1	4.9	162.4	69.9	-16.2	0	0	0	112.4	V554 L555 P558	N537-V554 CarbonylContact O-C 3.56Å; N537-V554 WeakPolarHBondContact O-CA 3.33Å; N537-L555 HydrophobicContact CB-CB 4.18Å; N537-L555 WeakPolarHBondContact CB-O 3.38Å; N537-L555 PolarHBondContact ND2-O 2.94Å; N537-L555 PolarHBondContact O-N 2.91Å; N537-P558 HydrophobicContact CB-CB 3.9Å; N537-P558 HydrophobicContact CB-CG 3.88Å
538	K	94.1	Very high	84.7	Confident	70 Å²	70	54.3 Å²	54.3	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.8	-174.1	-63	-179.4	-179.8	-173.8	0	110.5	M502 G522 S536 F540	M502-K538 HydrophobicContact CE-CD 3.55Å; M502-K538 VanDerWaalsContact CE-NZ 3.34Å; M502-K538 HydrophobicContact SD-CD 4.2Å; G522-K538 PolarHBondContact N-O 3.44Å; S536-K538 PolarHBondContact OG-N 3.48Å; K538-F540 HydrophobicContact CB-CD2 4.4Å; K538-F540 HydrophobicContact CB-CE2 3.78Å; K538-F540 HydrophobicContact CB-CZ 3.84Å; K538-F540 HydrophobicContact CD-CE1 4.39Å; K538-F540 HydrophobicContact CD-CE2 4.27Å; K538-F540 HydrophobicContact CD-CZ 3.65Å; K538-F540 HydrophobicContact CG-CZ 4.4Å
539	V	94.8	Very high	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.8	169.2	-177.3	0	0	0	0	108.3	F519 L520 C521 V552 T553 L555 L571	F519-V539 HydrophobicContact CD1-CG1 4.28Å; L520-V539 CarbonylContact O-C 3.47Å; L520-V539 WeakPolarHBondContact O-CA 3.41Å; C521-V539 HydrophobicContact CB-CG2 4.42Å; V539-V552 HydrophobicContact CB-CG2 4.32Å; V539-V552 HydrophobicContact CG1-CG2 3.89Å; V539-V552 WeakPolarHBondContact O-CG2 3.27Å; V539-V552 PolarHBondContact O-N 3.01Å; V539-T553 HydrophobicContact CB-CG2 3.64Å; V539-T553 HydrophobicContact CG1-CG2 4.06Å; V539-T553 HydrophobicContact CG2-CG2 3.8Å; V539-T553 PolarHBondContact N-O 3.34Å; V539-L555 HydrophobicContact CG2-CD2 3.65Å; V539-L555 HydrophobicContact CG2-CG 3.97Å; V539-L571 HydrophobicContact CG1-CD2 4.32Å
540	F	95.6	Very high	87.4	Confident	6 Å²	6	50 Å²	50	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	148.3	175.9	-60.2	-72.4	0	0	0	110.5	P501 M502 L504 F519 L520 K538 W549 T550 Q551	P501-F540 HydrophobicContact CB-CD1 4.32Å; P501-F540 HydrophobicContact CB-CE1 3.75Å; P501-F540 HydrophobicContact CB-CZ 3.87Å; P501-F540 HydrophobicContact CG-CD1 3.75Å; P501-F540 HydrophobicContact CG-CE1 3.71Å; P501-F540 HydrophobicContact CG-CG 4.23Å; P501-F540 HydrophobicContact CG-CZ 4.14Å; M502-F540 HydrophobicContact CE-CZ 4.13Å; M502-F540 HydrophobicContact CG-CE2 3.96Å; M502-F540 HydrophobicContact CG-CZ 4.19Å; M502-F540 HydrophobicContact SD-CE2 4.02Å; M502-F540 HydrophobicContact SD-CZ 4.18Å; L504-F540 HydrophobicContact CD1-CE2 4.4Å; F519-F540 CarbonylContact C-O 3.59Å; F519-F540 VanDerWaalsContact CA-O 3.24Å; F519-F540 WeakPolarHBondContact CA-O 3.48Å; L520-F540 HydrophobicContact CB-CB 4.5Å; L520-F540 HydrophobicContact CD2-CD2 4.18Å; L520-F540 PolarHBondContact N-O 2.73Å; L520-F540 PolarHBondContact O-N 3.08Å; K538-F540 HydrophobicContact CB-CD2 4.4Å; K538-F540 HydrophobicContact CB-CE2 3.78Å; K538-F540 HydrophobicContact CB-CZ 3.84Å; K538-F540 HydrophobicContact CD-CE1 4.39Å; K538-F540 HydrophobicContact CD-CE2 4.27Å; K538-F540 HydrophobicContact CD-CZ 3.65Å; K538-F540 HydrophobicContact CG-CZ 4.4Å; F540-W549 HydrophobicContact CB-CE3 3.78Å; F540-W549 HydrophobicContact CB-CZ3 4.18Å; F540-T550 CarbonylContact C-O 3.57Å; F540-T550 WeakPolarHBondContact CA-O 3.3Å; F540-Q551 HydrophobicContact CD1-CB 3.85Å; F540-Q551 HydrophobicContact CD1-CG 4.3Å; F540-Q551 HydrophobicContact CE1-CB 3.85Å; F540-Q551 HydrophobicContact CE1-CG 4.18Å
541	C	95.2	Very high	88.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.2	175.1	-178.7	0	0	0	0	108.3	V518 F519 T550 V552	V518-C541 CarbonylContact O-C 3.51Å; V518-C541 WeakPolarHBondContact O-CA 3.46Å; F519-C541 HydrophobicContact CD1-CB 3.93Å; F519-C541 HydrophobicContact CE1-CB 3.84Å; C541-T550 PolarHBondContact N-O 3.25Å; C541-T550 PolarHBondContact O-N 3.46Å; C541-T550 PolarHBondContact O-OG1 3.23Å; C541-V552 HydrophobicContact CB-CB 4.4Å; C541-V552 HydrophobicContact CB-CG1 3.47Å; C541-V552 VanDerWaalsContact CB-CG1 3.47Å; C541-V552 HydrophobicContact CB-CG2 4.01Å
542	F	95.6	Very high	89.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	170.1	-176.6	-105.3	0	0	0	109.7	M463 L497 P498 Q517 V518 F544 N547 W549	M463-F542 HydrophobicContact CE-CD1 4.47Å; L497-F542 HydrophobicContact CB-CZ 4.48Å; L497-F542 HydrophobicContact CD1-CE1 4.08Å; L497-F542 HydrophobicContact CD1-CZ 4.19Å; L497-F542 HydrophobicContact CD2-CE1 4.47Å; L497-F542 HydrophobicContact CD2-CZ 4.14Å; P498-F542 HydrophobicContact CG-CE2 4.12Å; Q517-F542 VanDerWaalsContact CA-O 3.31Å; Q517-F542 WeakPolarHBondContact CA-O 3.43Å; V518-F542 PolarHBondContact N-O 3.28Å; V518-F542 PolarHBondContact O-N 2.91Å; F542-F544 HydrophobicContact CD1-CD1 4.4Å; F542-F544 HydrophobicContact CD1-CD2 4.45Å; F542-F544 HydrophobicContact CD1-CE1 4.27Å; F542-F544 HydrophobicContact CD1-CE2 4.34Å; F542-F544 HydrophobicContact CD1-CG 4.47Å; F542-F544 HydrophobicContact CD1-CZ 4.22Å; F542-F544 AromaticContact CE1-CD1 3.66Å; F542-F544 HydrophobicContact CE1-CD1 3.66Å; F542-F544 HydrophobicContact CE1-CD2 4.46Å; F542-F544 AromaticContact CE1-CE1 3.67Å; F542-F544 HydrophobicContact CE1-CE1 3.67Å; F542-F544 HydrophobicContact CE1-CE2 4.48Å; F542-F544 HydrophobicContact CE1-CG 4.06Å; F542-F544 HydrophobicContact CE1-CZ 4.08Å; F542-N547 VanDerWaalsContact CZ-OD1 3.27Å; F542-N547 WeakPolarHBondContact CZ-OD1 3.32Å; F542-W549 HydrophobicContact CB-CD2 3.77Å; F542-W549 HydrophobicContact CB-CE3 3.61Å; F542-W549 HydrophobicContact CB-CH2 3.7Å; F542-W549 HydrophobicContact CB-CZ2 3.83Å; F542-W549 HydrophobicContact CB-CZ3 3.59Å; F542-W549 AromaticContact CD2-CD1 3.86Å; F542-W549 AromaticContact CD2-CD2 3.84Å; F542-W549 HydrophobicContact CD2-CD2 3.84Å; F542-W549 AromaticContact CD2-CE2 3.6Å; F542-W549 AromaticContact CD2-CG 3.98Å; F542-W549 HydrophobicContact CD2-CG 3.98Å; F542-W549 HydrophobicContact CD2-CZ2 4.14Å; F542-W549 AromaticContact CD2-NE1 3.61Å; F542-W549 HydrophobicContact CG-CD2 4.24Å; F542-W549 AromaticContact CG-CE2 3.99Å; F542-W549 HydrophobicContact CG-CH2 4.45Å; F542-W549 HydrophobicContact CG-CZ2 4.1Å
543	K	90.8	Very high	91.1	Very high	68 Å²	68	45.8 Å²	45.8	30%	0.296	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	174.4	-67.6	-172	175.7	-166.4	0	109.7	Q517 S545 T546 N547 C548	Q517-K543 HydrophobicContact CB-CG 4.21Å; K543-S545 PolarHBondContact O-N 3.36Å; K543-T546 PolarHBondContact O-N 2.89Å; K543-N547 WeakPolarHBondContact O-CA 3.36Å; K543-N547 PolarHBondContact O-N 3.15Å; K543-C548 PolarHBondContact N-O 3.08Å
544	F	88	Confident	91.8	Very high	41 Å²	41	45.1 Å²	45.1	18%	0.18	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.1	178.1	-74.8	-79.7	0	0	0	113	L456 M463 L483 N516 V518 F542	L456-F544 HydrophobicContact CD1-CE1 4.39Å; L456-F544 HydrophobicContact CD1-CE2 4.14Å; L456-F544 HydrophobicContact CD1-CZ 3.54Å; M463-F544 HydrophobicContact SD-CZ 4.27Å; L483-F544 HydrophobicContact CD1-CE1 4.28Å; L483-F544 HydrophobicContact CD2-CE1 4.46Å; N516-F544 WeakPolarHBondContact O-CD2 3.33Å; N516-F544 WeakPolarHBondContact OD1-CD2 3.44Å; V518-F544 HydrophobicContact CG2-CE2 3.86Å; V518-F544 HydrophobicContact CG2-CZ 4.34Å; F542-F544 HydrophobicContact CD1-CD1 4.4Å; F542-F544 HydrophobicContact CD1-CD2 4.45Å; F542-F544 HydrophobicContact CD1-CE1 4.27Å; F542-F544 HydrophobicContact CD1-CE2 4.34Å; F542-F544 HydrophobicContact CD1-CG 4.47Å; F542-F544 HydrophobicContact CD1-CZ 4.22Å; F542-F544 AromaticContact CE1-CD1 3.66Å; F542-F544 HydrophobicContact CE1-CD1 3.66Å; F542-F544 HydrophobicContact CE1-CD2 4.46Å; F542-F544 AromaticContact CE1-CE1 3.67Å; F542-F544 HydrophobicContact CE1-CE1 3.67Å; F542-F544 HydrophobicContact CE1-CE2 4.48Å; F542-F544 HydrophobicContact CE1-CG 4.06Å; F542-F544 HydrophobicContact CE1-CZ 4.08Å
545	S	87	Confident	92.1	Very high	109 Å²	109	44 Å²	44	76%	0.762	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-38.5	179.1	53.5	0	0	0	0	113.2	K543	K543-S545 PolarHBondContact O-N 3.36Å
546	T	89.7	Confident	91.9	Very high	83 Å²	83	47 Å²	47	51%	0.509	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-14.7	179.3	59.2	0	0	0	0	113	K543 C548	K543-T546 PolarHBondContact O-N 2.89Å; T546-C548 VanDerWaalsContact C-N 3.27Å; T546-C548 PolarHBondContact O-N 3.36Å; T546-C548 PolarHBondContact O-SG 2.99Å
547	N	91.3	Very high	91.6	Very high	83 Å²	83	47 Å²	47	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	46.9	-173.8	-162.1	36.5	0	0	0	111.3	P498 F542 K543	P498-N547 WeakPolarHBondContact CD-OD1 3.32Å; P498-N547 WeakPolarHBondContact CG-O 3.38Å; P498-N547 WeakPolarHBondContact CG-OD1 3.43Å; F542-N547 VanDerWaalsContact CZ-OD1 3.27Å; F542-N547 WeakPolarHBondContact CZ-OD1 3.32Å; K543-N547 WeakPolarHBondContact O-CA 3.36Å; K543-N547 PolarHBondContact O-N 3.15Å
548	C	93.3	Very high	91.5	Very high	64 Å²	64	45.1 Å²	45.1	43%	0.432	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.2	-177.1	-73.8	0	0	0	0	111.5	K543 T546	K543-C548 PolarHBondContact N-O 3.08Å; T546-C548 VanDerWaalsContact C-N 3.27Å; T546-C548 PolarHBondContact O-N 3.36Å; T546-C548 PolarHBondContact O-SG 2.99Å
549	W	95.2	Very high	91.3	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.106	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136	167.3	-69.4	99.5	0	0	0	110.7	M463 A481 P498 L500 P501 L520 F540 F542	M463-W549 HydrophobicContact CE-CH2 3.61Å; M463-W549 HydrophobicContact CE-CZ2 3.54Å; A481-W549 HydrophobicContact CB-CZ2 4.24Å; P498-W549 PolarHBondContact O-NE1 3.19Å; L500-W549 HydrophobicContact CD2-CD2 4.11Å; L500-W549 HydrophobicContact CD2-CE3 4.38Å; L500-W549 HydrophobicContact CD2-CH2 3.72Å; L500-W549 HydrophobicContact CD2-CZ2 3.41Å; L500-W549 VanDerWaalsContact CD2-CZ2 3.41Å; L500-W549 HydrophobicContact CD2-CZ3 4.2Å; P501-W549 HydrophobicContact CG-CB 3.66Å; P501-W549 HydrophobicContact CG-CG 4.33Å; L520-W549 HydrophobicContact CB-CH2 4.21Å; L520-W549 HydrophobicContact CB-CZ3 3.82Å; L520-W549 HydrophobicContact CD1-CH2 4.32Å; F540-W549 HydrophobicContact CB-CE3 3.78Å; F540-W549 HydrophobicContact CB-CZ3 4.18Å; F542-W549 HydrophobicContact CB-CD2 3.77Å; F542-W549 HydrophobicContact CB-CE3 3.61Å; F542-W549 HydrophobicContact CB-CH2 3.7Å; F542-W549 HydrophobicContact CB-CZ2 3.83Å; F542-W549 HydrophobicContact CB-CZ3 3.59Å; F542-W549 AromaticContact CD2-CD1 3.86Å; F542-W549 AromaticContact CD2-CD2 3.84Å; F542-W549 HydrophobicContact CD2-CD2 3.84Å; F542-W549 AromaticContact CD2-CE2 3.6Å; F542-W549 AromaticContact CD2-CG 3.98Å; F542-W549 HydrophobicContact CD2-CG 3.98Å; F542-W549 HydrophobicContact CD2-CZ2 4.14Å; F542-W549 AromaticContact CD2-NE1 3.61Å; F542-W549 HydrophobicContact CG-CD2 4.24Å; F542-W549 AromaticContact CG-CE2 3.99Å; F542-W549 HydrophobicContact CG-CH2 4.45Å; F542-W549 HydrophobicContact CG-CZ2 4.1Å
550	T	94.2	Very high	91	Very high	66 Å²	66	42.4 Å²	42.4	41%	0.405	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.6	176.3	55.2	0	0	0	0	110.3	F540 C541	F540-T550 CarbonylContact C-O 3.57Å; F540-T550 WeakPolarHBondContact CA-O 3.3Å; C541-T550 PolarHBondContact N-O 3.25Å; C541-T550 PolarHBondContact O-N 3.46Å; C541-T550 PolarHBondContact O-OG1 3.23Å
551	Q	94.2	Very high	90.6	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.3	172.8	-170.1	-177.5	-47.8	0	0	109.5	F540	F540-Q551 HydrophobicContact CD1-CB 3.85Å; F540-Q551 HydrophobicContact CD1-CG 4.3Å; F540-Q551 HydrophobicContact CE1-CB 3.85Å; F540-Q551 HydrophobicContact CE1-CG 4.18Å
552	V	92.2	Very high	90.4	Very high	46 Å²	46	44.4 Å²	44.4	28%	0.279	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-33.6	-174.4	-71.7	0	0	0	0	113.5	F519 V539 C541	F519-V552 HydrophobicContact CD1-CG2 4.11Å; F519-V552 HydrophobicContact CE1-CG2 4.04Å; V539-V552 HydrophobicContact CB-CG2 4.32Å; V539-V552 HydrophobicContact CG1-CG2 3.89Å; V539-V552 WeakPolarHBondContact O-CG2 3.27Å; V539-V552 PolarHBondContact O-N 3.01Å; C541-V552 HydrophobicContact CB-CB 4.4Å; C541-V552 HydrophobicContact CB-CG1 3.47Å; C541-V552 VanDerWaalsContact CB-CG1 3.47Å; C541-V552 HydrophobicContact CB-CG2 4.01Å
553	T	91.5	Very high	90.2	Very high	32 Å²	32	46.8 Å²	46.8	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-178.2	178.7	-170.5	0	0	0	0	110.1	V539 W649	V539-T553 HydrophobicContact CB-CG2 3.64Å; V539-T553 HydrophobicContact CG1-CG2 4.06Å; V539-T553 HydrophobicContact CG2-CG2 3.8Å; V539-T553 PolarHBondContact N-O 3.34Å; T553-W649 HydrophobicContact CG2-CD2 4.29Å; T553-W649 HydrophobicContact CG2-CG 4.47Å; T553-W649 HydrophobicContact CG2-CZ2 4.34Å; T553-W649 PolarHBondContact OG1-NE1 3.34Å
554	V	91.7	Very high	90.2	Very high	57 Å²	57	43.8 Å²	43.8	35%	0.345	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.6	169	-62.1	0	0	0	0	110.4	N537 W649	N537-V554 CarbonylContact O-C 3.56Å; N537-V554 WeakPolarHBondContact O-CA 3.33Å; V554-W649 WeakPolarHBondContact O-CZ2 3.43Å
555	L	89.3	Confident	90.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.243	C	C	.	.			trans	-76.9	143.3	168.2	-51.4	178.2	0	0	0	108.9	N537 V539 F557 R559 V573 W649	N537-L555 HydrophobicContact CB-CB 4.18Å; N537-L555 WeakPolarHBondContact CB-O 3.38Å; N537-L555 PolarHBondContact ND2-O 2.94Å; N537-L555 PolarHBondContact O-N 2.91Å; V539-L555 HydrophobicContact CG2-CD2 3.65Å; V539-L555 HydrophobicContact CG2-CG 3.97Å; L555-F557 VanDerWaalsContact C-N 3.3Å; L555-R559 HydrophobicContact CD1-CG 3.8Å; L555-V573 HydrophobicContact CD1-CG1 4.47Å; L555-V573 HydrophobicContact CD2-CB 4.39Å; L555-V573 HydrophobicContact CD2-CG1 4.44Å; L555-V573 HydrophobicContact CD2-CG2 4.09Å; L555-W649 HydrophobicContact CD2-CH2 3.29Å; L555-W649 HydrophobicContact CD2-CZ2 4.21Å; L555-W649 HydrophobicContact CD2-CZ3 3.7Å
556	D	83.7	Confident	90.2	Very high	71 Å²	71	38.4 Å²	38.4	38%	0.38	22%	0.215	S	C	.	.	S	Bend	trans	-70	-35.6	171.2	-86.6	18.7	0	0	0	111.3	P558 E647 R673	D556-P558 WeakPolarHBondContact O-CD 3.36Å; D556-E647 WeakPolarHBondContact CB-OE2 3.21Å; D556-E647 PolarHBondContact N-OE1 3.37Å; D556-E647 PolarHBondContact N-OE2 2.88Å; D556-R673 IonicContact OD1-CZ 3.52Å; D556-R673 VanDerWaalsContact OD1-CZ 3.29Å; D556-R673 IonicContact OD1-NH1 2.79Å; D556-R673 PolarHBondContact OD1-NH1 2.77Å; D556-R673 IonicContact OD1-NH2 3.34Å; D556-R673 PolarHBondContact OD1-NH2 2.86Å; D556-R673 IonicContact OD2-CZ 3.96Å; D556-R673 IonicContact OD2-NH1 3.63Å; D556-R673 PolarHBondContact OD2-NH1 3.35Å; D556-R673 IonicContact OD2-NH2 3.06Å; D556-R673 PolarHBondContact OD2-NH2 2.81Å
557	F	84.5	Confident	89.5	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.031	20%	0.195	C	C	.	.	S	Bend	trans	-109.2	101.4	178.1	-52.8	-89.2	0	0	0	108.3	L555 R559 V582 T586 L590 F645 E647	L555-F557 VanDerWaalsContact C-N 3.3Å; F557-R559 PolarHBondContact O-N 2.84Å; F557-R559 PolarHBondContact O-NE 3.45Å; F557-V582 HydrophobicContact CB-CG1 4.47Å; F557-V582 HydrophobicContact CD1-CG1 3.74Å; F557-T586 HydrophobicContact CE1-CG2 3.98Å; F557-T586 WeakPolarHBondContact CE1-OG1 3.45Å; F557-T586 HydrophobicContact CZ-CG2 4.03Å; F557-L590 HydrophobicContact CZ-CD2 4.12Å; F557-F645 AromaticContact CD1-CD2 3.84Å; F557-F645 HydrophobicContact CD1-CD2 3.84Å; F557-F645 HydrophobicContact CD1-CE2 4.22Å; F557-F645 HydrophobicContact CD2-CB 3.97Å; F557-F645 HydrophobicContact CD2-CD2 4.12Å; F557-F645 HydrophobicContact CD2-CG 4.22Å; F557-F645 AromaticContact CE1-CD2 3.61Å; F557-F645 HydrophobicContact CE1-CD2 3.61Å; F557-F645 AromaticContact CE1-CE2 3.72Å; F557-F645 HydrophobicContact CE1-CE2 3.72Å; F557-F645 HydrophobicContact CE1-CG 4.29Å; F557-F645 HydrophobicContact CE1-CZ 4.48Å; F557-F645 HydrophobicContact CE2-CB 3.87Å; F557-F645 HydrophobicContact CE2-CD1 4.49Å; F557-F645 AromaticContact CE2-CD2 3.91Å; F557-F645 HydrophobicContact CE2-CD2 3.91Å; F557-F645 AromaticContact CE2-CG 3.82Å; F557-F645 HydrophobicContact CE2-CG 3.82Å; F557-F645 HydrophobicContact CG-CD2 4.1Å; F557-F645 HydrophobicContact CZ-CB 4.42Å; F557-F645 HydrophobicContact CZ-CD1 4.34Å; F557-F645 AromaticContact CZ-CD2 3.65Å; F557-F645 HydrophobicContact CZ-CD2 3.65Å; F557-F645 AromaticContact CZ-CE2 3.98Å; F557-F645 HydrophobicContact CZ-CE2 3.98Å; F557-F645 AromaticContact CZ-CG 3.86Å; F557-F645 HydrophobicContact CZ-CG 3.86Å; F557-F645 HydrophobicContact CZ-CZ 4.46Å; F557-E647 HydrophobicContact CD2-CG 4.48Å; F557-E647 PolarHBondContact N-OE1 3.33Å
558	P	88.7	Confident	88.6	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.104	20%	0.199	C	C	.	.			trans	-51.1	131.1	170.3	-14.6	20.1	0	0	0	109.6	I535 N537 D556 T578 V582	I535-P558 HydrophobicContact CB-CB 4.08Å; I535-P558 HydrophobicContact CG2-CB 3.66Å; N537-P558 HydrophobicContact CB-CB 3.9Å; N537-P558 HydrophobicContact CB-CG 3.88Å; D556-P558 WeakPolarHBondContact O-CD 3.36Å; P558-T578 WeakPolarHBondContact O-CB 3.44Å; P558-T578 PolarHBondContact O-OG1 3.32Å; P558-V582 HydrophobicContact CG-CG2 4.32Å
559	R	89.8	Confident	87.8	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.189	C	C	.	.			trans	-154.2	153.3	-176.2	63.6	-173.4	77.7	-163.7	15.8	113.6	G522 G523 I535 S536 L555 F557 A562 G575 I577 C643 F645 E647	G522-R559 WeakPolarHBondContact CA-O 3.45Å; G523-R559 PolarHBondContact N-O 2.73Å; I535-R559 VanDerWaalsContact CG2-CA 3.5Å; S536-R559 PolarHBondContact O-N 2.85Å; L555-R559 HydrophobicContact CD1-CG 3.8Å; F557-R559 PolarHBondContact O-N 2.84Å; F557-R559 PolarHBondContact O-NE 3.45Å; R559-A562 HydrophobicContact CG-CB 3.98Å; R559-G575 WeakPolarHBondContact CD-O 3.38Å; R559-G575 PolarHBondContact NH1-O 2.95Å; R559-I577 CarbonylContact C-O 3.51Å; R559-I577 WeakPolarHBondContact CA-O 3.41Å; R559-C643 PolarHBondContact NH1-SG 2.85Å; R559-F645 PolarHBondContact NH1-O 3.13Å; R559-F645 PolarHBondContact NH2-O 3.26Å; R559-F645 VanDerWaalsContact NH2-O 3.14Å; R559-E647 IonicContact CZ-OE1 3.04Å; R559-E647 IonicContact NE-OE1 2.59Å; R559-E647 IonicContact NH2-OE1 3.81Å; R559-E647 PolarHBondContact NH2-OE1 3.29Å
560	Y	89.5	Confident	87.1	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.047	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-128.9	167.9	170.1	71.2	-83.2	0	0	0	110.7	R524 I535 A562 G576 I577 F640	R524-Y560 HydrophobicContact CB-CD1 4.41Å; R524-Y560 HydrophobicContact CB-CG 4.15Å; I535-Y560 HydrophobicContact CD1-CD1 3.79Å; I535-Y560 HydrophobicContact CD1-CE1 3.85Å; I535-Y560 HydrophobicContact CG1-CD1 4.07Å; I535-Y560 HydrophobicContact CG1-CE1 4.39Å; I535-Y560 HydrophobicContact CG2-CD1 4.44Å; Y560-A562 PolarHBondContact O-N 3.28Å; Y560-A562 VanDerWaalsContact O-N 3.12Å; Y560-G576 CarbonylContact O-C 3.55Å; Y560-G576 WeakPolarHBondContact O-CA 3.42Å; Y560-I577 HydrophobicContact CD1-CB 4.05Å; Y560-I577 HydrophobicContact CD1-CG2 4.39Å; Y560-I577 WeakPolarHBondContact CD1-O 3.39Å; Y560-I577 HydrophobicContact CE1-CB 3.55Å; Y560-I577 HydrophobicContact CE1-CG2 3.49Å; Y560-I577 VanDerWaalsContact CE1-CG2 3.49Å; Y560-I577 HydrophobicContact CE2-CB 4.13Å; Y560-I577 HydrophobicContact CE2-CD1 3.72Å; Y560-I577 HydrophobicContact CE2-CG1 4.46Å; Y560-I577 PolarHBondContact N-O 2.98Å; Y560-I577 PolarHBondContact O-N 3.2Å; Y560-I577 WeakPolarHBondContact OH-CG2 3.48Å; Y560-F640 HydrophobicContact CE1-CD1 4.21Å; Y560-F640 HydrophobicContact CE1-CE1 4.42Å
561	N	88	Confident	87	Confident	36 Å²	36	33.6 Å²	33.6	19%	0.193	17%	0.172	C	C	.	.	S	Bend	trans	53	28.4	-170	-79	-30.3	0	0	0	112.6	S506 G576 Y692	S506-N561 WeakPolarHBondContact CB-OD1 3.27Å; S506-N561 PolarHBondContact O-N 2.94Å; S506-N561 PolarHBondContact OG-OD1 2.68Å; N561-G576 WeakPolarHBondContact O-CA 3.3Å; N561-Y692 WeakPolarHBondContact ND2-CD1 3.18Å; N561-Y692 VanDerWaalsContact ND2-CE1 3.29Å; N561-Y692 WeakPolarHBondContact ND2-CE1 3.36Å
562	A	90.7	Very high	86.7	Confident	13 Å²	13	29.7 Å²	29.7	11%	0.107	15%	0.153	C	C	.	.			trans	-79.5	162.8	172.5	0	0	0	0	0	109.6	A508 R559 Y560 V573	A508-A562 HydrophobicContact CB-CB 4.28Å; A508-A562 VanDerWaalsContact CB-O 3.27Å; A508-A562 WeakPolarHBondContact CB-O 3.21Å; R559-A562 HydrophobicContact CG-CB 3.98Å; Y560-A562 PolarHBondContact O-N 3.28Å; Y560-A562 VanDerWaalsContact O-N 3.12Å; A562-V573 HydrophobicContact CB-CG1 3.95Å
563	F	89.9	Confident	86.7	Confident	50 Å²	50	27.5 Å²	27.5	22%	0.219	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.4	167.3	-175.8	-107.1	0	0	0	109.1	F565 V573 I574 Y695 I697	F563-F565 AromaticContact CD1-CD1 3.46Å; F563-F565 HydrophobicContact CD1-CD1 3.46Å; F563-F565 VanDerWaalsContact CD1-CD1 3.46Å; F563-F565 AromaticContact CD1-CE1 4Å; F563-F565 HydrophobicContact CD1-CE1 4Å; F563-F565 HydrophobicContact CD1-CG 4.47Å; F563-F565 HydrophobicContact CE1-CB 4.05Å; F563-F565 AromaticContact CE1-CD1 3.38Å; F563-F565 HydrophobicContact CE1-CD1 3.38Å; F563-F565 HydrophobicContact CE1-CE1 4.12Å; F563-F565 HydrophobicContact CE1-CG 4.02Å; F563-V573 WeakPolarHBondContact O-CA 3.28Å; F563-I574 HydrophobicContact CB-CG1 4.01Å; F563-I574 HydrophobicContact CD1-CD1 4.16Å; F563-I574 HydrophobicContact CD1-CG1 4.21Å; F563-I574 PolarHBondContact N-O 3.39Å; F563-I574 PolarHBondContact O-N 3.26Å; F563-Y695 HydrophobicContact CB-CD2 3.63Å; F563-Y695 HydrophobicContact CB-CG 4.07Å; F563-Y695 VanDerWaalsContact CD1-CB 3.43Å; F563-Y695 HydrophobicContact CD1-CG 4.26Å; F563-Y695 WeakPolarHBondContact CD2-O 3.23Å; F563-Y695 WeakPolarHBondContact CE2-O 3.49Å; F563-Y695 HydrophobicContact CG-CD2 4.3Å; F563-Y695 HydrophobicContact CG-CG 4.28Å; F563-Y695 WeakPolarHBondContact CZ-O 3.29Å; F563-I697 HydrophobicContact CE1-CG1 4.37Å
564	S	92.2	Very high	86.5	Confident	5 Å²	5	26.5 Å²	26.5	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.4	175.6	64.9	0	0	0	0	110	A508 L509 Y572	A508-S564 VanDerWaalsContact CB-OG 3.25Å; A508-S564 WeakPolarHBondContact CB-OG 3.02Å; A508-S564 PolarHBondContact O-OG 2.81Å; L509-S564 PolarHBondContact N-OG 2.9Å; L509-S564 PolarHBondContact O-OG 2.9Å; S564-Y572 WeakPolarHBondContact CA-O 3.11Å; S564-Y572 WeakPolarHBondContact CB-O 3.26Å
565	F	90.4	Very high	86.2	Confident	8 Å²	8	24 Å²	24	4%	0.035	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.1	178.7	58.5	-85.6	0	0	0	110.3	V301 L332 F563 L567 Y572 I574 I697	V301-F565 HydrophobicContact CG2-CE1 3.87Å; V301-F565 HydrophobicContact CG2-CE2 3.77Å; V301-F565 HydrophobicContact CG2-CZ 3.39Å; L332-F565 HydrophobicContact CD1-CZ 3.9Å; L332-F565 HydrophobicContact CD2-CZ 4.35Å; F563-F565 AromaticContact CD1-CD1 3.46Å; F563-F565 HydrophobicContact CD1-CD1 3.46Å; F563-F565 VanDerWaalsContact CD1-CD1 3.46Å; F563-F565 AromaticContact CD1-CE1 4Å; F563-F565 HydrophobicContact CD1-CE1 4Å; F563-F565 HydrophobicContact CD1-CG 4.47Å; F563-F565 HydrophobicContact CE1-CB 4.05Å; F563-F565 AromaticContact CE1-CD1 3.38Å; F563-F565 HydrophobicContact CE1-CD1 3.38Å; F563-F565 HydrophobicContact CE1-CE1 4.12Å; F563-F565 HydrophobicContact CE1-CG 4.02Å; F565-L567 HydrophobicContact CD2-CB 3.96Å; F565-L567 HydrophobicContact CE2-CB 3.94Å; F565-Y572 HydrophobicContact CD2-CD2 4.09Å; F565-Y572 HydrophobicContact CE1-CG 4.45Å; F565-Y572 AromaticContact CE2-CD2 3.47Å; F565-Y572 HydrophobicContact CE2-CD2 3.47Å; F565-Y572 VanDerWaalsContact CE2-CD2 3.47Å; F565-Y572 HydrophobicContact CE2-CE2 4.31Å; F565-Y572 AromaticContact CE2-CG 3.8Å; F565-Y572 HydrophobicContact CE2-CG 3.8Å; F565-Y572 VanDerWaalsContact CZ-CB 3.43Å; F565-Y572 AromaticContact CZ-CD2 3.93Å; F565-Y572 HydrophobicContact CZ-CD2 3.93Å; F565-Y572 AromaticContact CZ-CG 3.74Å; F565-Y572 HydrophobicContact CZ-CG 3.74Å; F565-Y572 PolarHBondContact N-O 3.01Å; F565-Y572 VanDerWaalsContact N-O 3.1Å; F565-Y572 PolarHBondContact O-N 3.28Å; F565-I574 HydrophobicContact CE1-CD1 3.9Å; F565-I574 HydrophobicContact CE1-CG1 4.18Å; F565-I574 HydrophobicContact CE1-CG2 4.38Å; F565-I697 HydrophobicContact CB-CD1 3.47Å; F565-I697 VanDerWaalsContact CB-CD1 3.47Å; F565-I697 HydrophobicContact CB-CG1 4.39Å; F565-I697 HydrophobicContact CD2-CD1 3.55Å; F565-I697 HydrophobicContact CD2-CG1 4.43Å; F565-I697 HydrophobicContact CE2-CD1 4.39Å; F565-I697 HydrophobicContact CG-CD1 3.62Å; F565-I697 HydrophobicContact CG-CG1 4.35Å
566	V	84	Confident	86	Confident	28 Å²	28	24 Å²	24	17%	0.17	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.8	168.6	-179.3	0	0	0	0	107.3	A510 C511 D512 F519 I570 L571 L651	A510-V566 HydrophobicContact CB-CG2 4.12Å; C511-V566 WeakPolarHBondContact O-CB 3.45Å; D512-V566 HydrophobicContact CB-CG2 4.28Å; F519-V566 HydrophobicContact CD2-CG2 4.45Å; V566-I570 WeakPolarHBondContact CA-O 3.09Å; V566-L571 HydrophobicContact CG2-CD1 4.09Å; V566-L651 HydrophobicContact CG1-CD1 3.99Å; V566-L651 HydrophobicContact CG2-CD1 4.16Å
567	L	75.7	Confident	85.9	Confident	18 Å²	18	20.6 Å²	20.6	9%	0.094	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.5	170.7	-172	67	0	0	0	107.3	F565 D569 I570 Y572	F565-L567 HydrophobicContact CD2-CB 3.96Å; F565-L567 HydrophobicContact CE2-CB 3.94Å; L567-D569 PolarHBondContact O-N 2.81Å; L567-I570 PolarHBondContact N-O 3.05Å; L567-I570 PolarHBondContact O-N 2.79Å; L567-Y572 HydrophobicContact CB-CD2 4.3Å; L567-Y572 HydrophobicContact CB-CE2 4.17Å
568	Y	71.1	Confident	85.8	Confident	137 Å²	137	20.2 Å²	20.2	54%	0.537	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-96.3	-170.7	-53.1	-68.4	0	0	0	112.9	R652	Y568-R652 PolarHBondContact O-NH2 3.38Å
569	D	77.1	Confident	85.3	Confident	39 Å²	39	19.6 Å²	19.6	21%	0.209	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	19	179	68.4	-16	0	0	0	113.3	L567 Q650 L651 R652	L567-D569 PolarHBondContact O-N 2.81Å; D569-Q650 PolarHBondContact OD1-NE2 2.6Å; D569-Q650 PolarHBondContact OD2-NE2 2.79Å; D569-L651 VanDerWaalsContact O-CB 3.29Å; D569-L651 WeakPolarHBondContact O-CB 3.3Å; D569-L651 WeakPolarHBondContact O-CG 3.48Å; D569-L651 PolarHBondContact O-N 3.24Å; D569-R652 HydrophobicContact CB-CB 4.23Å
570	I	81.8	Confident	84.3	Confident	27 Å²	27	19.9 Å²	19.9	14%	0.138	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.5	179	-57.3	170	0	0	0	109.4	V566 L567 Y572 W649 L674	V566-I570 WeakPolarHBondContact CA-O 3.09Å; L567-I570 PolarHBondContact N-O 3.05Å; L567-I570 PolarHBondContact O-N 2.79Å; I570-Y572 HydrophobicContact CB-CD2 4.18Å; I570-Y572 HydrophobicContact CB-CE2 3.57Å; I570-Y572 HydrophobicContact CD1-CE2 4.46Å; I570-Y572 HydrophobicContact CG2-CD1 4.43Å; I570-Y572 HydrophobicContact CG2-CD2 3.79Å; I570-Y572 HydrophobicContact CG2-CE1 4.07Å; I570-Y572 HydrophobicContact CG2-CE2 3.35Å; I570-Y572 HydrophobicContact CG2-CG 4.3Å; I570-W649 WeakPolarHBondContact CA-O 3.04Å; I570-L674 HydrophobicContact CB-CD1 4.31Å; I570-L674 HydrophobicContact CD1-CD1 3.67Å; I570-L674 HydrophobicContact CG1-CD1 3.89Å; I570-L674 HydrophobicContact CG2-CD1 3.45Å; I570-L674 VanDerWaalsContact CG2-CD1 3.45Å
571	L	90	Very high	83.1	Confident	2 Å²	2	24 Å²	24	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	118	166.9	172.6	65.5	0	0	0	109.1	A510 F519 V539 V566 G648 W649 L651	A510-L571 HydrophobicContact CB-CD1 3.57Å; F519-L571 HydrophobicContact CB-CD1 4.28Å; F519-L571 HydrophobicContact CB-CD2 4.08Å; F519-L571 HydrophobicContact CD1-CD2 4.02Å; F519-L571 HydrophobicContact CD2-CD1 4.45Å; F519-L571 HydrophobicContact CD2-CD2 4.35Å; F519-L571 HydrophobicContact CG-CD1 4.46Å; F519-L571 HydrophobicContact CG-CD2 3.88Å; V539-L571 HydrophobicContact CG1-CD2 4.32Å; V566-L571 HydrophobicContact CG2-CD1 4.09Å; L571-G648 CarbonylContact O-C 3.57Å; L571-G648 VanDerWaalsContact O-CA 3.26Å; L571-G648 WeakPolarHBondContact O-CA 3.23Å; L571-W649 PolarHBondContact N-O 2.88Å; L571-W649 PolarHBondContact O-N 3.39Å; L571-L651 HydrophobicContact CB-CD1 4.41Å; L571-L651 HydrophobicContact CB-CD2 4.06Å; L571-L651 HydrophobicContact CB-CG 4.33Å
572	Y	89.9	Confident	82.1	Confident	17 Å²	17	23.5 Å²	23.5	7%	0.067	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.4	173.3	-70	-87	0	0	0	111.1	L332 S564 F565 L567 I570 E647 L676	L332-Y572 HydrophobicContact CD1-CD1 3.56Å; L332-Y572 HydrophobicContact CD1-CE1 3.76Å; L332-Y572 HydrophobicContact CD1-CG 4.1Å; S564-Y572 WeakPolarHBondContact CA-O 3.11Å; S564-Y572 WeakPolarHBondContact CB-O 3.26Å; F565-Y572 HydrophobicContact CD2-CD2 4.09Å; F565-Y572 HydrophobicContact CE1-CG 4.45Å; F565-Y572 AromaticContact CE2-CD2 3.47Å; F565-Y572 HydrophobicContact CE2-CD2 3.47Å; F565-Y572 VanDerWaalsContact CE2-CD2 3.47Å; F565-Y572 HydrophobicContact CE2-CE2 4.31Å; F565-Y572 AromaticContact CE2-CG 3.8Å; F565-Y572 HydrophobicContact CE2-CG 3.8Å; F565-Y572 VanDerWaalsContact CZ-CB 3.43Å; F565-Y572 AromaticContact CZ-CD2 3.93Å; F565-Y572 HydrophobicContact CZ-CD2 3.93Å; F565-Y572 AromaticContact CZ-CG 3.74Å; F565-Y572 HydrophobicContact CZ-CG 3.74Å; F565-Y572 PolarHBondContact N-O 3.01Å; F565-Y572 VanDerWaalsContact N-O 3.1Å; F565-Y572 PolarHBondContact O-N 3.28Å; L567-Y572 HydrophobicContact CB-CD2 4.3Å; L567-Y572 HydrophobicContact CB-CE2 4.17Å; I570-Y572 HydrophobicContact CB-CD2 4.18Å; I570-Y572 HydrophobicContact CB-CE2 3.57Å; I570-Y572 HydrophobicContact CD1-CE2 4.46Å; I570-Y572 HydrophobicContact CG2-CD1 4.43Å; I570-Y572 HydrophobicContact CG2-CD2 3.79Å; I570-Y572 HydrophobicContact CG2-CE1 4.07Å; I570-Y572 HydrophobicContact CG2-CE2 3.35Å; I570-Y572 HydrophobicContact CG2-CG 4.3Å; Y572-E647 CarbonylContact C-O 3.51Å; Y572-E647 WeakPolarHBondContact CA-O 3.14Å; Y572-L676 HydrophobicContact CD1-CD1 3.74Å; Y572-L676 HydrophobicContact CE1-CD1 3.79Å; Y572-L676 HydrophobicContact CE1-CD2 3.78Å; Y572-L676 HydrophobicContact CE1-CG 4.46Å
573	V	91	Very high	80.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.3	169	-173.9	0	0	0	0	108.1	C521 L555 A562 F563 E647 W649	C521-V573 HydrophobicContact CB-CG1 4.44Å; C521-V573 HydrophobicContact CB-CG2 3.9Å; L555-V573 HydrophobicContact CD1-CG1 4.47Å; L555-V573 HydrophobicContact CD2-CB 4.39Å; L555-V573 HydrophobicContact CD2-CG1 4.44Å; L555-V573 HydrophobicContact CD2-CG2 4.09Å; A562-V573 HydrophobicContact CB-CG1 3.95Å; F563-V573 WeakPolarHBondContact O-CA 3.28Å; V573-E647 PolarHBondContact N-O 2.96Å; V573-E647 PolarHBondContact O-N 3.01Å; V573-W649 HydrophobicContact CG2-CZ3 4.07Å
574	I	87.6	Confident	79.7	Confident	12 Å²	12	26.5 Å²	26.5	6%	0.062	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.3	-173	64.2	170.9	0	0	0	112	V301 L332 F563 F565 A646 Y695	V301-I574 HydrophobicContact CG1-CD1 3.83Å; L332-I574 HydrophobicContact CD1-CG2 4.33Å; F563-I574 HydrophobicContact CB-CG1 4.01Å; F563-I574 HydrophobicContact CD1-CD1 4.16Å; F563-I574 HydrophobicContact CD1-CG1 4.21Å; F563-I574 PolarHBondContact N-O 3.39Å; F563-I574 PolarHBondContact O-N 3.26Å; F565-I574 HydrophobicContact CE1-CD1 3.9Å; F565-I574 HydrophobicContact CE1-CG1 4.18Å; F565-I574 HydrophobicContact CE1-CG2 4.38Å; I574-A646 HydrophobicContact CG2-CB 3.88Å; I574-Y695 HydrophobicContact CD1-CD1 3.45Å; I574-Y695 VanDerWaalsContact CD1-CD1 3.45Å; I574-Y695 HydrophobicContact CD1-CD2 4.08Å; I574-Y695 HydrophobicContact CD1-CE1 3.67Å; I574-Y695 HydrophobicContact CD1-CE2 4.26Å; I574-Y695 HydrophobicContact CD1-CG 3.67Å; I574-Y695 HydrophobicContact CG1-CD1 4.45Å; I574-Y695 HydrophobicContact CG1-CD2 4.25Å; I574-Y695 HydrophobicContact CG1-CE2 4.31Å; I574-Y695 HydrophobicContact CG1-CG 4.32Å
575	G	84.3	Confident	78.4	Confident	3 Å²	3	32.5 Å²	32.5	3%	0.031	16%	0.158	C	C	.	.			trans	64.1	-149.9	176.1	0	0	0	0	0	113.5	R559	R559-G575 WeakPolarHBondContact CD-O 3.38Å; R559-G575 PolarHBondContact NH1-O 2.95Å
576	G	85.2	Confident	77.2	Confident	1 Å²	1	33 Å²	33	1%	0.01	16%	0.162	C	C	.	.			trans	90.3	-169.7	-178.3	0	0	0	0	0	113.9	Y560 N561 C643	Y560-G576 CarbonylContact O-C 3.55Å; Y560-G576 WeakPolarHBondContact O-CA 3.42Å; N561-G576 WeakPolarHBondContact O-CA 3.3Å; G576-C643 PolarHBondContact O-N 3.42Å
577	I	82.4	Confident	76	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.8	-176.3	-59.5	166.1	0	0	0	108.3	R559 Y560 L636 F640 R641 C691 Y692	R559-I577 CarbonylContact C-O 3.51Å; R559-I577 WeakPolarHBondContact CA-O 3.41Å; Y560-I577 HydrophobicContact CD1-CB 4.05Å; Y560-I577 HydrophobicContact CD1-CG2 4.39Å; Y560-I577 WeakPolarHBondContact CD1-O 3.39Å; Y560-I577 HydrophobicContact CE1-CB 3.55Å; Y560-I577 HydrophobicContact CE1-CG2 3.49Å; Y560-I577 VanDerWaalsContact CE1-CG2 3.49Å; Y560-I577 HydrophobicContact CE2-CB 4.13Å; Y560-I577 HydrophobicContact CE2-CD1 3.72Å; Y560-I577 HydrophobicContact CE2-CG1 4.46Å; Y560-I577 PolarHBondContact N-O 2.98Å; Y560-I577 PolarHBondContact O-N 3.2Å; Y560-I577 WeakPolarHBondContact OH-CG2 3.48Å; I577-L636 HydrophobicContact CD1-CD2 4.19Å; I577-F640 HydrophobicContact CG2-CB 3.67Å; I577-F640 HydrophobicContact CG2-CD1 4.49Å; I577-F640 HydrophobicContact CG2-CG 4.28Å; I577-R641 CarbonylContact C-O 3.56Å; I577-R641 WeakPolarHBondContact CA-O 3.22Å; I577-C691 HydrophobicContact CD1-CB 3.92Å; I577-C691 HydrophobicContact CG1-CB 3.54Å; I577-Y692 HydrophobicContact CD1-CD1 3.99Å; I577-Y692 HydrophobicContact CD1-CD2 4.34Å; I577-Y692 HydrophobicContact CD1-CE1 3.49Å; I577-Y692 VanDerWaalsContact CD1-CE1 3.49Å; I577-Y692 HydrophobicContact CD1-CE2 3.88Å; I577-Y692 HydrophobicContact CD1-CG 4.41Å; I577-Y692 VanDerWaalsContact CD1-CZ 3.44Å
578	T	82.7	Confident	75.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-174.1	177.6	-165.8	0	0	0	0	110.1	P558 I583 F640 R641 C643	P558-T578 WeakPolarHBondContact O-CB 3.44Å; P558-T578 PolarHBondContact O-OG1 3.32Å; T578-I583 HydrophobicContact CG2-CD1 3.78Å; T578-I583 HydrophobicContact CG2-CG1 3.95Å; T578-F640 CarbonylContact O-C 3.52Å; T578-F640 WeakPolarHBondContact O-CA 3.47Å; T578-R641 PolarHBondContact N-O 2.91Å; T578-R641 PolarHBondContact O-N 3.41Å; T578-C643 HydrophobicContact CG2-CB 3.97Å
579	I	78.1	Confident	74.5	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.3	179.6	-73.8	158.9	0	0	0	110.8	E531 I532 I535 E581 V582 P639 F640	E531-I579 WeakPolarHBondContact O-CD1 2.94Å; I532-I579 VanDerWaalsContact CA-CD1 3.41Å; I532-I579 HydrophobicContact CB-CD1 4.36Å; I532-I579 HydrophobicContact CG1-CB 4.49Å; I532-I579 HydrophobicContact CG1-CD1 4.24Å; I532-I579 HydrophobicContact CG1-CG2 3.85Å; I535-I579 HydrophobicContact CB-CD1 4.41Å; I535-I579 HydrophobicContact CD1-CD1 3.5Å; I535-I579 VanDerWaalsContact CD1-CD1 3.5Å; I535-I579 HydrophobicContact CD1-CG1 3.51Å; I535-I579 HydrophobicContact CG1-CD1 3.76Å; I535-I579 HydrophobicContact CG1-CG1 4.33Å; I579-E581 VanDerWaalsContact C-N 3.27Å; I579-E581 HydrophobicContact CG2-CB 4.23Å; I579-E581 PolarHBondContact O-N 2.99Å; I579-V582 HydrophobicContact CB-CG2 4.45Å; I579-V582 WeakPolarHBondContact O-CB 3.44Å; I579-V582 PolarHBondContact O-N 3.46Å; I579-P639 WeakPolarHBondContact CA-O 3.34Å; I579-P639 HydrophobicContact CG2-CB 4.47Å; I579-P639 HydrophobicContact CG2-CG 4.16Å; I579-F640 HydrophobicContact CD1-CD1 4.36Å; I579-F640 HydrophobicContact CD1-CE1 3.93Å; I579-F640 HydrophobicContact CG1-CD1 3.58Å; I579-F640 HydrophobicContact CG1-CE1 3.65Å
580	D	67.8	Low	73.6	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-46.1	-49.2	-179.8	-77.7	13.1	0	0	0	112.5	V582 I583 E584 R632 P639 R641	D580-V582 PolarHBondContact O-N 2.61Å; D580-I583 PolarHBondContact O-N 2.9Å; D580-I583 VanDerWaalsContact O-N 3.08Å; D580-E584 PolarHBondContact O-N 3.31Å; D580-R632 IonicContact OD2-CZ 2.68Å; D580-R632 IonicContact OD2-NE 2.74Å; D580-R632 IonicContact OD2-NH2 3.33Å; D580-R632 PolarHBondContact OD2-NH2 3.49Å; D580-P639 PolarHBondContact N-O 2.88Å; D580-R641 VanDerWaalsContact CG-NH2 3.25Å; D580-R641 WeakPolarHBondContact OD1-CD 3.08Å; D580-R641 WeakPolarHBondContact OD1-CG 3.33Å; D580-R641 IonicContact OD1-CZ 3.01Å; D580-R641 IonicContact OD1-NE 3.88Å; D580-R641 PolarHBondContact OD1-NE 3.43Å; D580-R641 IonicContact OD1-NH2 2.67Å; D580-R641 IonicContact OD2-CZ 3.75Å; D580-R641 IonicContact OD2-NE 3.59Å; D580-R641 PolarHBondContact OD2-NE 2.73Å; D580-R641 IonicContact OD2-NH2 3.14Å; D580-R641 PolarHBondContact OD2-NH2 3.14Å
581	E	65.9	Low	72.6	Confident	100 Å²	100	35.8 Å²	35.8	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-29.6	-177.4	-68	-174	-150.7	0	0	113.4	I532 I579 N585	I532-E581 HydrophobicContact CD1-CB 3.84Å; I532-E581 HydrophobicContact CD1-CG 4.26Å; I532-E581 WeakPolarHBondContact CD1-OE2 3.43Å; I532-E581 HydrophobicContact CG1-CB 4.44Å; I579-E581 VanDerWaalsContact C-N 3.27Å; I579-E581 HydrophobicContact CG2-CB 4.23Å; I579-E581 PolarHBondContact O-N 2.99Å; E581-N585 VanDerWaalsContact O-CB 3.26Å; E581-N585 WeakPolarHBondContact O-CB 3.25Å; E581-N585 VanDerWaalsContact O-CG 3.26Å; E581-N585 PolarHBondContact O-N 2.99Å; E581-N585 VanDerWaalsContact O-N 3.07Å; E581-N585 PolarHBondContact O-ND2 3.35Å
582	V	66.5	Low	71	Confident	24 Å²	24	37.2 Å²	37.2	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-44.7	177.8	-179	0	0	0	0	109.7	F557 P558 I579 D580 T586	F557-V582 HydrophobicContact CB-CG1 4.47Å; F557-V582 HydrophobicContact CD1-CG1 3.74Å; P558-V582 HydrophobicContact CG-CG2 4.32Å; I579-V582 HydrophobicContact CB-CG2 4.45Å; I579-V582 WeakPolarHBondContact O-CB 3.44Å; I579-V582 PolarHBondContact O-N 3.46Å; D580-V582 PolarHBondContact O-N 2.61Å; V582-T586 PolarHBondContact O-N 3.27Å; V582-T586 PolarHBondContact O-OG1 3.45Å
583	I	66.2	Low	69.3	Low	9 Å²	9	38.7 Å²	38.7	5%	0.046	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-43.9	-179.5	-60.6	177.7	0	0	0	110.1	T578 D580 N585 T586 F625 R641	T578-I583 HydrophobicContact CG2-CD1 3.78Å; T578-I583 HydrophobicContact CG2-CG1 3.95Å; D580-I583 PolarHBondContact O-N 2.9Å; D580-I583 VanDerWaalsContact O-N 3.08Å; I583-N585 VanDerWaalsContact C-N 3.33Å; I583-N585 PolarHBondContact O-N 2.87Å; I583-T586 VanDerWaalsContact O-CB 3.28Å; I583-T586 WeakPolarHBondContact O-CB 3.44Å; I583-T586 PolarHBondContact O-N 2.92Å; I583-T586 VanDerWaalsContact O-N 3.11Å; I583-T586 PolarHBondContact O-OG1 2.82Å; I583-F625 HydrophobicContact CG2-CB 4.46Å; I583-F625 HydrophobicContact CG2-CD1 4.1Å; I583-R641 HydrophobicContact CD1-CB 4Å
584	E	64.6	Low	67.5	Low	118 Å²	118	40.4 Å²	40.4	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-66.2	-33.3	-178.7	-70.6	175.8	-170.7	0	0	112.8	D580 T586 R641	D580-E584 PolarHBondContact O-N 3.31Å; E584-T586 VanDerWaalsContact C-N 3.31Å; E584-R641 IonicContact OE1-CZ 3.84Å; E584-R641 IonicContact OE1-NH2 3.02Å; E584-R641 PolarHBondContact OE1-NH2 2.76Å
585	N	64.2	Low	66	Low	130 Å²	130	40.9 Å²	40.9	70%	0.695	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.5	175.5	-69.1	-46.6	0	0	0	113.7	E581 I583	E581-N585 VanDerWaalsContact O-CB 3.26Å; E581-N585 WeakPolarHBondContact O-CB 3.25Å; E581-N585 VanDerWaalsContact O-CG 3.26Å; E581-N585 PolarHBondContact O-N 2.99Å; E581-N585 VanDerWaalsContact O-N 3.07Å; E581-N585 PolarHBondContact O-ND2 3.35Å; I583-N585 VanDerWaalsContact C-N 3.33Å; I583-N585 PolarHBondContact O-N 2.87Å
586	T	65.4	Low	64.2	Low	20 Å²	20	45.9 Å²	45.9	12%	0.123	27%	0.265	C	S	.	.	S	Bend	trans	-72.3	128.8	178.9	-58	0	0	0	0	109.6	F557 V582 I583 E584 S588 L590 L591	F557-T586 HydrophobicContact CE1-CG2 3.98Å; F557-T586 WeakPolarHBondContact CE1-OG1 3.45Å; F557-T586 HydrophobicContact CZ-CG2 4.03Å; V582-T586 PolarHBondContact O-N 3.27Å; V582-T586 PolarHBondContact O-OG1 3.45Å; I583-T586 VanDerWaalsContact O-CB 3.28Å; I583-T586 WeakPolarHBondContact O-CB 3.44Å; I583-T586 PolarHBondContact O-N 2.92Å; I583-T586 VanDerWaalsContact O-N 3.11Å; I583-T586 PolarHBondContact O-OG1 2.82Å; E584-T586 VanDerWaalsContact C-N 3.31Å; T586-S588 PolarHBondContact O-N 2.87Å; T586-L590 HydrophobicContact CG2-CB 4.29Å; T586-L590 HydrophobicContact CG2-CD2 3.69Å; T586-L591 HydrophobicContact CG2-CD1 3.8Å
587	P	58.6	Low	62.2	Low	70 Å²	70	50.7 Å²	50.7	46%	0.455	29%	0.294	S	S	.	.			trans	-57.4	130	179.5	-20.4	30.1	0	0	0	110.6	S589 L590 L591	P587-S589 PolarHBondContact O-N 3.04Å; P587-S589 VanDerWaalsContact O-N 3.1Å; P587-L590 HydrophobicContact CB-CB 4.15Å; P587-L590 HydrophobicContact CG-CB 4.35Å; P587-L590 WeakPolarHBondContact O-CA 3.46Å; P587-L590 WeakPolarHBondContact O-CB 3.43Å; P587-L590 PolarHBondContact O-N 2.87Å; P587-L591 PolarHBondContact O-N 3.26Å; P587-L591 VanDerWaalsContact O-N 3.12Å
588	S	61.4	Low	60	Low	88 Å²	88	57.5 Å²	57.5	62%	0.615	33%	0.33	S	S	*	.	H	α-helix	trans	-56.5	-27.7	174.4	51.1	0	0	0	0	112.3	T586 L591 A592	T586-S588 PolarHBondContact O-N 2.87Å; S588-L591 WeakPolarHBondContact O-CB 3.34Å; S588-A592 VanDerWaalsContact O-CB 3.23Å; S588-A592 WeakPolarHBondContact O-CB 3.03Å; S588-A592 PolarHBondContact O-N 2.79Å
589	S	53.3	Low	57.5	Low	83 Å²	83	63.3 Å²	63.3	58%	0.58	37%	0.369	S	S	*	.	H	α-helix	trans	-68.1	-35.7	171.6	57.6	0	0	0	0	113.7	P587 S593	P587-S589 PolarHBondContact O-N 3.04Å; P587-S589 VanDerWaalsContact O-N 3.1Å; S589-S593 WeakPolarHBondContact O-CB 3.46Å; S589-S593 PolarHBondContact O-N 3.49Å; S589-S593 PolarHBondContact O-OG 3.43Å
590	L	58.1	Low	54.9	Low	57 Å²	57	72.2 Å²	72.2	30%	0.298	41%	0.411	S	S	.	.	H	α-helix	trans	-67.3	-46.8	174.3	-165.5	91.3	0	0	0	109.4	F557 T586 P587 A592 S593 L594	F557-L590 HydrophobicContact CZ-CD2 4.12Å; T586-L590 HydrophobicContact CG2-CB 4.29Å; T586-L590 HydrophobicContact CG2-CD2 3.69Å; P587-L590 HydrophobicContact CB-CB 4.15Å; P587-L590 HydrophobicContact CG-CB 4.35Å; P587-L590 WeakPolarHBondContact O-CA 3.46Å; P587-L590 WeakPolarHBondContact O-CB 3.43Å; P587-L590 PolarHBondContact O-N 2.87Å; L590-A592 PolarHBondContact O-N 2.74Å; L590-S593 WeakPolarHBondContact CA-OG 3.48Å; L590-S593 PolarHBondContact O-N 2.78Å; L590-S593 PolarHBondContact O-OG 3.42Å; L590-L594 HydrophobicContact CD2-CD1 4.37Å; L590-L594 HydrophobicContact CG-CD1 4.25Å; L590-L594 VanDerWaalsContact O-CG 3.3Å; L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 3.24Å
591	L	61.5	Low	52.9	Low	8 Å²	8	79.7 Å²	79.7	4%	0.042	45%	0.451	C	S	.	.	H	α-helix	trans	-55.2	-50.6	172.7	-119.5	94.9	0	0	0	111.4	T586 P587 S588 S593 L594 I595 L622 F625 F645	T586-L591 HydrophobicContact CG2-CD1 3.8Å; P587-L591 PolarHBondContact O-N 3.26Å; P587-L591 VanDerWaalsContact O-N 3.12Å; S588-L591 WeakPolarHBondContact O-CB 3.34Å; L591-S593 VanDerWaalsContact C-N 3.34Å; L591-S593 PolarHBondContact O-N 3.01Å; L591-L594 PolarHBondContact O-N 3.24Å; L591-I595 HydrophobicContact CD2-CD1 4.44Å; L591-I595 WeakPolarHBondContact O-CB 3.39Å; L591-I595 WeakPolarHBondContact O-CD1 3.11Å; L591-I595 WeakPolarHBondContact O-CG1 3.44Å; L591-I595 PolarHBondContact O-N 2.9Å; L591-L622 HydrophobicContact CB-CD2 4.03Å; L591-L622 HydrophobicContact CD2-CD2 3.71Å; L591-L622 HydrophobicContact CD2-CG 4.11Å; L591-F625 HydrophobicContact CD2-CB 3.58Å; L591-F625 HydrophobicContact CD2-CD2 3.43Å; L591-F625 VanDerWaalsContact CD2-CD2 3.43Å; L591-F625 HydrophobicContact CD2-CE2 4.25Å; L591-F625 HydrophobicContact CD2-CG 3.65Å; L591-F625 HydrophobicContact CG-CD2 4.43Å; L591-F645 HydrophobicContact CD1-CE1 4.21Å; L591-F645 HydrophobicContact CD1-CZ 3.73Å; L591-F645 HydrophobicContact CG-CE1 4.34Å; L591-F645 HydrophobicContact CG-CZ 4.23Å
592	A	56.5	Low	51.1	Low	33 Å²	33	80.4 Å²	80.4	27%	0.273	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-37.9	179.3	0	0	0	0	0	112.1	S588 L590 L594 I595 N596	S588-A592 VanDerWaalsContact O-CB 3.23Å; S588-A592 WeakPolarHBondContact O-CB 3.03Å; S588-A592 PolarHBondContact O-N 2.79Å; L590-A592 PolarHBondContact O-N 2.74Å; A592-L594 VanDerWaalsContact C-N 3.31Å; A592-L594 PolarHBondContact O-N 3.02Å; A592-I595 PolarHBondContact O-N 3.46Å; A592-N596 WeakPolarHBondContact O-CB 3.31Å; A592-N596 PolarHBondContact O-N 3.44Å
593	S	55.1	Low	49.3	Very low	48 Å²	48	86.1 Å²	86.1	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-71.6	-21.7	177.7	74.1	0	0	0	0	113.9	S589 L590 L591 V597	S589-S593 WeakPolarHBondContact O-CB 3.46Å; S589-S593 PolarHBondContact O-N 3.49Å; S589-S593 PolarHBondContact O-OG 3.43Å; L590-S593 WeakPolarHBondContact CA-OG 3.48Å; L590-S593 PolarHBondContact O-N 2.78Å; L590-S593 PolarHBondContact O-OG 3.42Å; L591-S593 VanDerWaalsContact C-N 3.34Å; L591-S593 PolarHBondContact O-N 3.01Å; S593-V597 WeakPolarHBondContact O-CG2 2.96Å
594	L	52	Low	47.4	Very low	35 Å²	35	94 Å²	94	18%	0.183	54%	0.54	C	S	.	.	H	α-helix	trans	-87.2	-24.8	174.1	-68	164.8	0	0	0	111.7	L590 L591 A592 F645 L676 L678	L590-L594 HydrophobicContact CD2-CD1 4.37Å; L590-L594 HydrophobicContact CG-CD1 4.25Å; L590-L594 VanDerWaalsContact O-CG 3.3Å; L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 3.24Å; L591-L594 PolarHBondContact O-N 3.24Å; A592-L594 VanDerWaalsContact C-N 3.31Å; A592-L594 PolarHBondContact O-N 3.02Å; L594-F645 HydrophobicContact CD1-CD1 3.99Å; L594-F645 HydrophobicContact CD1-CE1 4.29Å; L594-L676 WeakPolarHBondContact CD2-O 3.33Å; L594-L678 PolarHBondContact O-N 3.13Å
595	I	55.4	Low	45.5	Very low	22 Å²	22	96.2 Å²	96.2	11%	0.113	56%	0.556	C	S	.	*	H	α-helix	trans	-87	-37.8	178.2	-65.5	165.8	0	0	0	111.6	L591 A592 L622 R680	L591-I595 HydrophobicContact CD2-CD1 4.44Å; L591-I595 WeakPolarHBondContact O-CB 3.39Å; L591-I595 WeakPolarHBondContact O-CD1 3.11Å; L591-I595 WeakPolarHBondContact O-CG1 3.44Å; L591-I595 PolarHBondContact O-N 2.9Å; A592-I595 PolarHBondContact O-N 3.46Å; I595-L622 HydrophobicContact CD1-CD1 4.39Å; I595-L622 HydrophobicContact CD1-CG 4.22Å; I595-R680 PolarHBondContact O-NH2 2.67Å
596	N	48	Very low	43.7	Very low	108 Å²	108	100.7 Å²	100.7	58%	0.578	56%	0.563	S	S	*	*			trans	-112.1	87.8	-179.8	-75.8	-19.1	0	0	0	111.4	A592	A592-N596 WeakPolarHBondContact O-CB 3.31Å; A592-N596 PolarHBondContact O-N 3.44Å
597	V	43.5	Very low	41.7	Very low	103 Å²	103	109.5 Å²	109.5	62%	0.624	60%	0.603	S	S	*	*			trans	-128.8	83.7	157.6	-173.9	0	0	0	0	107.2	S593	S593-V597 WeakPolarHBondContact O-CG2 2.96Å
598	D	35.8	Very low	40.2	Very low	142 Å²	142	112.6 Å²	112.6	76%	0.759	61%	0.614	S	S	*	*	S	Bend	trans	-155.6	32.5	161.7	-90.5	-28.7	0	0	0	109.7
599	C	28.8	Very low	38.6	Very low	122 Å²	122	114.7 Å²	114.7	82%	0.824	62%	0.623	S	S	*	*			trans	-147.7	78.4	176.7	-83.7	0	0	0	0	109.4
600	E	25.2	Very low	37.5	Very low	189 Å²	189	116 Å²	116	88%	0.883	63%	0.628	S	S	*	*	S	Bend	trans	-176.7	95	147.2	-102.4	167.3	-156.2	0	0	109.2
601	D	25.8	Very low	36.4	Very low	164 Å²	164	117.7 Å²	117.7	88%	0.877	64%	0.641	S	S	*	*			trans	156.2	75.4	137.7	-81.6	-19.1	0	0	0	112.4
602	S	28.1	Very low	35.3	Very low	115 Å²	115	123.3 Å²	123.3	80%	0.804	67%	0.671	S	S	*	*			trans	-161.1	110.4	140.5	66.1	0	0	0	0	111	M604	S602-M604 PolarHBondContact O-N 3.24Å
603	V	28.3	Very low	34.6	Very low	145 Å²	145	127.2 Å²	127.2	88%	0.879	69%	0.687	S	S	*	*			trans	-59.5	107.6	159.3	173.4	0	0	0	0	108.2
604	M	25.6	Very low	33.8	Very low	173 Å²	173	129 Å²	129	85%	0.852	69%	0.693	S	S	*	*	S	Bend	trans	173	131.7	140.5	-90.4	-116.8	-106.7	0	0	110.9	S602 R606	S602-M604 PolarHBondContact O-N 3.24Å; M604-R606 PolarHBondContact O-N 2.83Å; M604-R606 VanDerWaalsContact O-N 3.16Å
605	D	25	Very low	33.3	Very low	165 Å²	165	135.9 Å²	135.9	88%	0.882	72%	0.717	S	S	*	*			trans	-38.1	109.2	177.1	-73.4	-47.5	0	0	0	114.7
606	R	26.3	Very low	32.7	Very low	225 Å²	225	139 Å²	139	85%	0.849	73%	0.733	S	S	*	*			trans	-141.2	112.3	145.2	-73.5	-164.9	176.1	177	-0.3	110	M604 I608	M604-R606 PolarHBondContact O-N 2.83Å; M604-R606 VanDerWaalsContact O-N 3.16Å; R606-I608 HydrophobicContact CB-CG1 4.48Å; R606-I608 PolarHBondContact O-N 3.47Å
607	Q	23.4	Very low	32.7	Very low	205 Å²	205	136.5 Å²	136.5	96%	0.958	72%	0.72	S	S	*	*			trans	-55.8	100.4	161.8	-72.8	177.9	-24.3	0	0	108.8
608	I	28	Very low	32.9	Very low	135 Å²	135	132.8 Å²	132.8	69%	0.692	70%	0.698	S	S	*	*			trans	-115.5	118	162.7	-61.3	177.8	0	0	0	106.2	R606 T610	R606-I608 HydrophobicContact CB-CG1 4.48Å; R606-I608 PolarHBondContact O-N 3.47Å; I608-T610 PolarHBondContact O-N 2.83Å
609	T	26.8	Very low	33.6	Very low	131 Å²	131	130.5 Å²	130.5	80%	0.804	69%	0.686	S	S	*	*			trans	-60.3	97.8	174	47.1	0	0	0	0	109.6	T611	T609-T611 PolarHBondContact O-N 3.06Å
610	T	31	Very low	34.7	Very low	112 Å²	112	129.4 Å²	129.4	69%	0.687	67%	0.672	S	S	*	*			trans	-65	111.8	163	52.1	0	0	0	0	107.4	I608 D612	I608-T610 PolarHBondContact O-N 2.83Å; T610-D612 PolarHBondContact O-N 3.12Å
611	T	34.3	Very low	36.1	Very low	92 Å²	92	121.2 Å²	121.2	56%	0.564	63%	0.634	S	S	*	*			trans	-60.1	131.9	174.3	44.7	0	0	0	0	109.9	T609 N613 D614	T609-T611 PolarHBondContact O-N 3.06Å; T611-N613 PolarHBondContact O-N 3.32Å; T611-D614 PolarHBondContact O-N 2.86Å
612	D	37.8	Very low	37.6	Very low	126 Å²	126	115.4 Å²	115.4	67%	0.674	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-11.4	-177.9	-80.4	-41.1	0	0	0	115.5	T610 N616	T610-D612 PolarHBondContact O-N 3.12Å; D612-N616 PolarHBondContact O-ND2 2.81Å
613	N	42.3	Very low	38.8	Very low	114 Å²	114	115 Å²	115	61%	0.61	59%	0.588	S	S	*	*	H	α-helix	trans	-67.3	-36.8	-179.2	-79.3	-10.2	0	0	0	114.4	T611 N616 I617	T611-N613 PolarHBondContact O-N 3.32Å; N613-N616 PolarHBondContact O-N 3.1Å; N613-I617 WeakPolarHBondContact O-CG1 3.18Å; N613-I617 PolarHBondContact O-N 3.39Å
614	D	38.2	Very low	40.1	Very low	86 Å²	86	109.7 Å²	109.7	46%	0.46	55%	0.554	S	S	.	*	H	α-helix	trans	-71.7	-34.5	-175.2	-73.3	-26.3	0	0	0	112.4	T611 N616 I617 S618	T611-D614 PolarHBondContact O-N 2.86Å; D614-N616 VanDerWaalsContact C-N 3.34Å; D614-I617 PolarHBondContact O-N 3.19Å; D614-S618 PolarHBondContact O-N 3.28Å; D614-S618 PolarHBondContact O-OG 3.47Å; D614-S618 VanDerWaalsContact O-OG 3.11Å
615	R	41.2	Very low	41.4	Very low	179 Å²	179	102 Å²	102	68%	0.675	52%	0.515	S	S	*	.	H	α-helix	trans	-65.9	-38	174.7	-75.4	-175.5	175.2	178.8	-0.7	111.8	L619	R615-L619 WeakPolarHBondContact O-CB 3.22Å; R615-L619 WeakPolarHBondContact O-CD1 3.1Å; R615-L619 PolarHBondContact O-N 3.36Å; R615-L619 VanDerWaalsContact O-N 3.09Å
616	N	44.3	Very low	42.7	Very low	87 Å²	87	98.2 Å²	98.2	47%	0.465	50%	0.502	S	S	.	.	H	α-helix	trans	-68.9	-34.8	178.4	-75.3	-22.3	0	0	0	112.6	D612 N613 D614 N620	D612-N616 PolarHBondContact O-ND2 2.81Å; N613-N616 PolarHBondContact O-N 3.1Å; D614-N616 VanDerWaalsContact C-N 3.34Å; N616-N620 WeakPolarHBondContact O-CB 3.1Å; N616-N620 VanDerWaalsContact O-CG 3.24Å; N616-N620 PolarHBondContact O-N 3.41Å; N616-N620 PolarHBondContact O-ND2 3.09Å
617	I	47.1	Very low	43.6	Very low	56 Å²	56	90.8 Å²	90.8	29%	0.287	48%	0.481	S	S	.	.	H	α-helix	trans	-68	-44.1	176.8	-65.5	164.5	0	0	0	110.8	N613 D614 L619 N620 L621 P686	N613-I617 WeakPolarHBondContact O-CG1 3.18Å; N613-I617 PolarHBondContact O-N 3.39Å; D614-I617 PolarHBondContact O-N 3.19Å; I617-L619 VanDerWaalsContact C-N 3.34Å; I617-L619 PolarHBondContact O-N 3.31Å; I617-N620 PolarHBondContact O-N 3.35Å; I617-L621 HydrophobicContact CG2-CD1 4.21Å; I617-L621 WeakPolarHBondContact O-CD1 3.4Å; I617-L621 PolarHBondContact O-N 3.16Å; I617-P686 HydrophobicContact CG2-CG 4.14Å
618	S	48.6	Very low	44.4	Very low	25 Å²	25	84.4 Å²	84.4	18%	0.175	47%	0.471	C	S	.	.	H	α-helix	trans	-62.3	-40.7	176.4	-54.2	0	0	0	0	112.3	D614 L621 L622	D614-S618 PolarHBondContact O-N 3.28Å; D614-S618 PolarHBondContact O-OG 3.47Å; D614-S618 VanDerWaalsContact O-OG 3.11Å; S618-L621 PolarHBondContact O-N 3.23Å; S618-L622 WeakPolarHBondContact O-CB 3.33Å; S618-L622 PolarHBondContact O-N 3.38Å
619	L	50.3	Low	45	Very low	95 Å²	95	84.9 Å²	84.9	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.4	-88.9	153.7	0	0	0	111.9	R615 I617 L621 L622 E623	R615-L619 WeakPolarHBondContact O-CB 3.22Å; R615-L619 WeakPolarHBondContact O-CD1 3.1Å; R615-L619 PolarHBondContact O-N 3.36Å; R615-L619 VanDerWaalsContact O-N 3.09Å; I617-L619 VanDerWaalsContact C-N 3.34Å; I617-L619 PolarHBondContact O-N 3.31Å; L619-L621 VanDerWaalsContact C-N 3.3Å; L619-L621 PolarHBondContact O-N 3.3Å; L619-L622 PolarHBondContact O-N 3.35Å; L619-E623 WeakPolarHBondContact O-CB 3.1Å; L619-E623 WeakPolarHBondContact O-CG 3.48Å; L619-E623 PolarHBondContact O-N 3.11Å
620	N	52	Low	45.8	Very low	99 Å²	99	79.8 Å²	79.8	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-63	-34.1	177.2	-75.5	-16.1	0	0	0	112.7	N616 I617 H624	N616-N620 WeakPolarHBondContact O-CB 3.1Å; N616-N620 VanDerWaalsContact O-CG 3.24Å; N616-N620 PolarHBondContact O-N 3.41Å; N616-N620 PolarHBondContact O-ND2 3.09Å; I617-N620 PolarHBondContact O-N 3.35Å; N620-H624 VanDerWaalsContact O-CB 3.29Å; N620-H624 WeakPolarHBondContact O-CB 3.08Å; N620-H624 PolarHBondContact O-N 3.16Å
621	L	55.1	Low	46.3	Very low	17 Å²	17	78.3 Å²	78.3	9%	0.089	43%	0.428	C	S	.	.	H	α-helix	trans	-71.7	-44.8	173.1	-99.6	85.5	0	0	0	112.3	I617 S618 L619 E623 H624 F625 L678 P686 I688	I617-L621 HydrophobicContact CG2-CD1 4.21Å; I617-L621 WeakPolarHBondContact O-CD1 3.4Å; I617-L621 PolarHBondContact O-N 3.16Å; S618-L621 PolarHBondContact O-N 3.23Å; L619-L621 VanDerWaalsContact C-N 3.3Å; L619-L621 PolarHBondContact O-N 3.3Å; L621-E623 VanDerWaalsContact C-N 3.25Å; L621-E623 PolarHBondContact O-N 3.08Å; L621-H624 CarbonylContact O-C 3.58Å; L621-H624 WeakPolarHBondContact O-CA 3.03Å; L621-H624 WeakPolarHBondContact O-CB 3.36Å; L621-H624 PolarHBondContact O-N 3.37Å; L621-F625 HydrophobicContact CB-CD2 4.5Å; L621-F625 HydrophobicContact CB-CE2 4.37Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 WeakPolarHBondContact O-CD2 3.23Å; L621-F625 PolarHBondContact O-N 2.91Å; L621-L678 HydrophobicContact CD2-CD2 4.26Å; L621-P686 HydrophobicContact CD1-CB 4.39Å; L621-P686 HydrophobicContact CD1-CG 3.18Å; L621-P686 HydrophobicContact CD2-CB 3.59Å; L621-P686 HydrophobicContact CD2-CG 3.28Å; L621-P686 HydrophobicContact CG-CG 3.79Å; L621-I688 HydrophobicContact CD2-CG1 4.35Å
622	L	56.4	Low	46.7	Very low	42 Å²	42	79.3 Å²	79.3	22%	0.22	42%	0.422	C	S	.	.	H	α-helix	trans	-57.3	-42.1	173.9	-94.3	145.2	0	0	0	110.9	L591 I595 S618 L619 F625 S626	L591-L622 HydrophobicContact CB-CD2 4.03Å; L591-L622 HydrophobicContact CD2-CD2 3.71Å; L591-L622 HydrophobicContact CD2-CG 4.11Å; I595-L622 HydrophobicContact CD1-CD1 4.39Å; I595-L622 HydrophobicContact CD1-CG 4.22Å; S618-L622 WeakPolarHBondContact O-CB 3.33Å; S618-L622 PolarHBondContact O-N 3.38Å; L619-L622 PolarHBondContact O-N 3.35Å; L622-F625 PolarHBondContact O-N 2.98Å; L622-S626 VanDerWaalsContact O-CB 3.29Å; L622-S626 WeakPolarHBondContact O-CB 3.22Å; L622-S626 PolarHBondContact O-N 3Å; L622-S626 PolarHBondContact O-OG 3.44Å
623	E	53.5	Low	46.7	Very low	105 Å²	105	73.4 Å²	73.4	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-40.9	171.5	-75.6	-175.2	177.8	0	0	112	L619 L621 F625 S626 V627	L619-E623 WeakPolarHBondContact O-CB 3.1Å; L619-E623 WeakPolarHBondContact O-CG 3.48Å; L619-E623 PolarHBondContact O-N 3.11Å; L621-E623 VanDerWaalsContact C-N 3.25Å; L621-E623 PolarHBondContact O-N 3.08Å; E623-F625 VanDerWaalsContact C-N 3.3Å; E623-F625 PolarHBondContact O-N 2.77Å; E623-S626 WeakPolarHBondContact CA-OG 3.47Å; E623-S626 PolarHBondContact O-N 2.74Å; E623-S626 VanDerWaalsContact O-N 3.16Å; E623-V627 HydrophobicContact CB-CG2 4.23Å; E623-V627 HydrophobicContact CG-CG2 4.47Å; E623-V627 WeakPolarHBondContact O-CA 3.33Å; E623-V627 VanDerWaalsContact O-CB 3.23Å; E623-V627 WeakPolarHBondContact O-CB 3.47Å; E623-V627 WeakPolarHBondContact O-CG2 3.39Å; E623-V627 PolarHBondContact O-N 3.41Å
624	H	54.5	Low	46.7	Very low	35 Å²	35	73.5 Å²	73.5	16%	0.162	39%	0.39	C	S	.	.	H	α-helix	trans	-60.9	-36.5	174.5	178.2	-73.5	0	0	0	112.8	F310 N620 L621 Y630	F310-H624 AromaticContact CD2-CD2 3.67Å; F310-H624 AromaticContact CD2-NE2 3.54Å; F310-H624 AromaticContact CE2-CD2 3.4Å; F310-H624 VanDerWaalsContact CE2-CD2 3.4Å; F310-H624 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H624 AromaticContact CE2-NE2 3.81Å; N620-H624 VanDerWaalsContact O-CB 3.29Å; N620-H624 WeakPolarHBondContact O-CB 3.08Å; N620-H624 PolarHBondContact O-N 3.16Å; L621-H624 CarbonylContact O-C 3.58Å; L621-H624 WeakPolarHBondContact O-CA 3.03Å; L621-H624 WeakPolarHBondContact O-CB 3.36Å; L621-H624 PolarHBondContact O-N 3.37Å; H624-Y630 AromaticContact CE1-CD2 3.49Å; H624-Y630 VanDerWaalsContact CE1-CD2 3.49Å; H624-Y630 WeakPolarHBondContact CE1-CD2 2.91Å; H624-Y630 AromaticContact CE1-CE2 3.51Å; H624-Y630 AromaticContact NE2-CD2 3.66Å; H624-Y630 AromaticContact NE2-CE2 3.77Å
625	F	54.5	Low	47	Very low	10 Å²	10	73 Å²	73	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-77.2	-25	175.6	-72.9	-72.7	0	0	0	113.4	I583 L591 L621 L622 E623 H644 F645	I583-F625 HydrophobicContact CG2-CB 4.46Å; I583-F625 HydrophobicContact CG2-CD1 4.1Å; L591-F625 HydrophobicContact CD2-CB 3.58Å; L591-F625 HydrophobicContact CD2-CD2 3.43Å; L591-F625 VanDerWaalsContact CD2-CD2 3.43Å; L591-F625 HydrophobicContact CD2-CE2 4.25Å; L591-F625 HydrophobicContact CD2-CG 3.65Å; L591-F625 HydrophobicContact CG-CD2 4.43Å; L621-F625 HydrophobicContact CB-CD2 4.5Å; L621-F625 HydrophobicContact CB-CE2 4.37Å; L621-F625 HydrophobicContact CD2-CE2 4.06Å; L621-F625 WeakPolarHBondContact O-CD2 3.23Å; L621-F625 PolarHBondContact O-N 2.91Å; L622-F625 PolarHBondContact O-N 2.98Å; E623-F625 VanDerWaalsContact C-N 3.3Å; E623-F625 PolarHBondContact O-N 2.77Å; F625-H644 HydrophobicContact CE1-CB 3.81Å; F625-H644 AromaticContact CE1-CD2 3.4Å; F625-H644 VanDerWaalsContact CE1-CD2 3.4Å; F625-H644 WeakPolarHBondContact CE1-CD2 3.28Å; F625-H644 AromaticContact CE1-CG 3.98Å; F625-H644 HydrophobicContact CZ-CB 3.8Å; F625-H644 AromaticContact CZ-CD2 3.87Å; F625-F645 HydrophobicContact CD1-CZ 4.23Å; F625-F645 HydrophobicContact CE1-CE1 4.5Å; F625-F645 HydrophobicContact CE1-CE2 4.19Å; F625-F645 AromaticContact CE1-CZ 3.78Å; F625-F645 HydrophobicContact CE1-CZ 3.78Å; F625-F645 HydrophobicContact CZ-CE1 4.49Å; F625-F645 HydrophobicContact CZ-CZ 4.19Å
626	S	52	Low	47.5	Very low	87 Å²	87	65.1 Å²	65.1	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-112	-11.4	-169.9	59.5	0	0	0	0	115.7	L622 E623	L622-S626 VanDerWaalsContact O-CB 3.29Å; L622-S626 WeakPolarHBondContact O-CB 3.22Å; L622-S626 PolarHBondContact O-N 3Å; L622-S626 PolarHBondContact O-OG 3.44Å; E623-S626 WeakPolarHBondContact CA-OG 3.47Å; E623-S626 PolarHBondContact O-N 2.74Å; E623-S626 VanDerWaalsContact O-N 3.16Å
627	V	44	Very low	47.9	Very low	68 Å²	68	66.4 Å²	66.4	41%	0.412	36%	0.362	S	S	.	.	S	Bend	trans	-119.2	137.2	-174.2	-173.4	0	0	0	0	111.6	E623 N629	E623-V627 HydrophobicContact CB-CG2 4.23Å; E623-V627 HydrophobicContact CG-CG2 4.47Å; E623-V627 WeakPolarHBondContact O-CA 3.33Å; E623-V627 VanDerWaalsContact O-CB 3.23Å; E623-V627 WeakPolarHBondContact O-CB 3.47Å; E623-V627 WeakPolarHBondContact O-CG2 3.39Å; E623-V627 PolarHBondContact O-N 3.41Å; V627-N629 PolarHBondContact O-N 2.92Å
628	G	41.9	Very low	48.2	Very low	72 Å²	72	66.3 Å²	66.3	74%	0.742	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	22.9	-174.4	0	0	0	0	0	118	Y630	G628-Y630 VanDerWaalsContact C-N 3.29Å
629	N	39.3	Very low	49	Very low	145 Å²	145	66.3 Å²	66.3	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5.6	173.3	-74.8	-15.5	0	0	0	113.1	V627 I631	V627-N629 PolarHBondContact O-N 2.92Å; N629-I631 PolarHBondContact O-N 3.39Å; N629-I631 VanDerWaalsContact O-N 3.17Å
630	Y	42.9	Very low	50	Low	24 Å²	24	62 Å²	62	9%	0.094	35%	0.346	C	S	.	.			trans	-70	105.4	171.2	-165.2	-94.8	0	0	0	109.8	H624 G628 R632 R641 P642	H624-Y630 AromaticContact CE1-CD2 3.49Å; H624-Y630 VanDerWaalsContact CE1-CD2 3.49Å; H624-Y630 WeakPolarHBondContact CE1-CD2 2.91Å; H624-Y630 AromaticContact CE1-CE2 3.51Å; H624-Y630 AromaticContact NE2-CD2 3.66Å; H624-Y630 AromaticContact NE2-CE2 3.77Å; G628-Y630 VanDerWaalsContact C-N 3.29Å; Y630-R632 PolarHBondContact O-N 2.98Å; Y630-R641 HydrophobicContact CD1-CG 3.93Å; Y630-R641 HydrophobicContact CE1-CG 3.76Å; Y630-P642 WeakPolarHBondContact OH-CD 3.29Å; Y630-P642 WeakPolarHBondContact OH-CG 3.13Å
631	I	42	Very low	50.9	Low	81 Å²	81	58.2 Å²	58.2	42%	0.415	32%	0.324	S	S	.	.			trans	-75.6	110.9	175.1	-64.7	173.3	0	0	0	107.2	N311 N629	N311-I631 HydrophobicContact CB-CD1 4.28Å; N629-I631 PolarHBondContact O-N 3.39Å; N629-I631 VanDerWaalsContact O-N 3.17Å
632	R	42.4	Very low	51.9	Low	113 Å²	113	57.5 Å²	57.5	43%	0.426	32%	0.32	S	S	.	.			trans	-54.9	127.5	176.1	-71	-179.8	176.9	160	-1.5	109	D580 Y630 N634	D580-R632 IonicContact OD2-CZ 2.68Å; D580-R632 IonicContact OD2-NE 2.74Å; D580-R632 IonicContact OD2-NH2 3.33Å; D580-R632 PolarHBondContact OD2-NH2 3.49Å; Y630-R632 PolarHBondContact O-N 2.98Å; R632-N634 PolarHBondContact O-N 3.43Å
633	P	38.7	Very low	52.9	Low	2 Å²	2	55.5 Å²	55.5	1%	0.013	31%	0.31	C	S	.	.			trans	-58.3	134.2	170.1	-0.1	6.8	0	0	0	109	E307 I635 L636	E307-P633 HydrophobicContact CG-CB 3.93Å; E307-P633 WeakPolarHBondContact OE1-CB 3.45Å; E307-P633 WeakPolarHBondContact OE2-CB 3.24Å; P633-I635 PolarHBondContact O-N 3.33Å; P633-L636 HydrophobicContact CB-CG 4.44Å; P633-L636 HydrophobicContact CG-CD1 3.63Å; P633-L636 HydrophobicContact CG-CG 4.03Å; P633-L636 PolarHBondContact O-N 3.21Å
634	N	41.4	Very low	53.9	Low	115 Å²	115	51.1 Å²	51.1	62%	0.615	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.5	-167.4	-122.7	-2	0	0	0	113.7	S317 R632	S317-N634 PolarHBondContact O-ND2 2.68Å; R632-N634 PolarHBondContact O-N 3.43Å
635	I	45.4	Very low	54.9	Low	76 Å²	76	50 Å²	50	39%	0.39	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-21.5	178.5	-58.6	170.4	0	0	0	111.3	P633 Q637	P633-I635 PolarHBondContact O-N 3.33Å; I635-Q637 PolarHBondContact O-N 2.74Å
636	L	51.6	Low	56.3	Low	13 Å²	13	51.1 Å²	51.1	7%	0.068	30%	0.295	C	S	.	.	S	Bend	trans	-83.3	106.4	178.1	-63.4	-175.6	0	0	0	109.8	I577 P633 A638 F640 Y692	I577-L636 HydrophobicContact CD1-CD2 4.19Å; P633-L636 HydrophobicContact CB-CG 4.44Å; P633-L636 HydrophobicContact CG-CD1 3.63Å; P633-L636 HydrophobicContact CG-CG 4.03Å; P633-L636 PolarHBondContact O-N 3.21Å; L636-A638 PolarHBondContact O-N 2.78Å; L636-A638 VanDerWaalsContact O-N 3.14Å; L636-F640 HydrophobicContact CB-CB 4.43Å; L636-F640 HydrophobicContact CD1-CB 4.35Å; L636-F640 WeakPolarHBondContact CD1-O 3.44Å; L636-F640 HydrophobicContact CD2-CB 4.32Å; L636-Y692 HydrophobicContact CD2-CE2 4.05Å; L636-Y692 WeakPolarHBondContact CD2-OH 3.43Å
637	Q	52.9	Low	57.9	Low	115 Å²	115	47.2 Å²	47.2	54%	0.537	27%	0.268	S	S	.	.			trans	-50.8	124.3	159.2	-69.9	-178.2	-8.1	0	0	107.4	I635 F640	I635-Q637 PolarHBondContact O-N 2.74Å; Q637-F640 WeakPolarHBondContact O-CD2 3.07Å
638	A	52.9	Low	60	Low	53 Å²	53	44 Å²	44	44%	0.438	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	133	170.6	0	0	0	0	0	108.8	L636	L636-A638 PolarHBondContact O-N 2.78Å; L636-A638 VanDerWaalsContact O-N 3.14Å
639	P	64.4	Low	62.2	Low	26 Å²	26	40.8 Å²	40.8	17%	0.169	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	cis	-122.9	52.4	25.3	39.7	-24.3	0	0	0	114.1	S530 I579 D580	S530-P639 VanDerWaalsContact O-CD 3.25Å; S530-P639 WeakPolarHBondContact O-CD 3.39Å; S530-P639 WeakPolarHBondContact O-CG 3.37Å; I579-P639 WeakPolarHBondContact CA-O 3.34Å; I579-P639 HydrophobicContact CG2-CB 4.47Å; I579-P639 HydrophobicContact CG2-CG 4.16Å; D580-P639 PolarHBondContact N-O 2.88Å
640	F	71.9	Confident	64.3	Low	4 Å²	4	35.4 Å²	35.4	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.5	-176.8	-57.7	-58.6	0	0	0	114.8	G529 I535 Y560 I577 T578 I579 L636 Q637	G529-F640 WeakPolarHBondContact O-CZ 3.35Å; I535-F640 HydrophobicContact CD1-CD1 3.93Å; I535-F640 HydrophobicContact CD1-CE1 3.81Å; I535-F640 HydrophobicContact CG1-CE1 4.25Å; Y560-F640 HydrophobicContact CE1-CD1 4.21Å; Y560-F640 HydrophobicContact CE1-CE1 4.42Å; I577-F640 HydrophobicContact CG2-CB 3.67Å; I577-F640 HydrophobicContact CG2-CD1 4.49Å; I577-F640 HydrophobicContact CG2-CG 4.28Å; T578-F640 CarbonylContact O-C 3.52Å; T578-F640 WeakPolarHBondContact O-CA 3.47Å; I579-F640 HydrophobicContact CD1-CD1 4.36Å; I579-F640 HydrophobicContact CD1-CE1 3.93Å; I579-F640 HydrophobicContact CG1-CD1 3.58Å; I579-F640 HydrophobicContact CG1-CE1 3.65Å; L636-F640 HydrophobicContact CB-CB 4.43Å; L636-F640 HydrophobicContact CD1-CB 4.35Å; L636-F640 WeakPolarHBondContact CD1-O 3.44Å; L636-F640 HydrophobicContact CD2-CB 4.32Å; Q637-F640 WeakPolarHBondContact O-CD2 3.07Å
641	R	72.4	Confident	66.1	Low	20 Å²	20	35.1 Å²	35.1	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.9	175.3	-93.4	177.4	-144.8	-177.4	21.6	112.4	I577 T578 D580 I583 E584 Y630	I577-R641 CarbonylContact C-O 3.56Å; I577-R641 WeakPolarHBondContact CA-O 3.22Å; T578-R641 PolarHBondContact N-O 2.91Å; T578-R641 PolarHBondContact O-N 3.41Å; D580-R641 VanDerWaalsContact CG-NH2 3.25Å; D580-R641 WeakPolarHBondContact OD1-CD 3.08Å; D580-R641 WeakPolarHBondContact OD1-CG 3.33Å; D580-R641 IonicContact OD1-CZ 3.01Å; D580-R641 IonicContact OD1-NE 3.88Å; D580-R641 PolarHBondContact OD1-NE 3.43Å; D580-R641 IonicContact OD1-NH2 2.67Å; D580-R641 IonicContact OD2-CZ 3.75Å; D580-R641 IonicContact OD2-NE 3.59Å; D580-R641 PolarHBondContact OD2-NE 2.73Å; D580-R641 IonicContact OD2-NH2 3.14Å; D580-R641 PolarHBondContact OD2-NH2 3.14Å; I583-R641 HydrophobicContact CD1-CB 4Å; E584-R641 IonicContact OE1-CZ 3.84Å; E584-R641 IonicContact OE1-NH2 3.02Å; E584-R641 PolarHBondContact OE1-NH2 2.76Å; Y630-R641 HydrophobicContact CD1-CG 3.93Å; Y630-R641 HydrophobicContact CE1-CG 3.76Å
642	P	74.9	Confident	67.6	Low	2 Å²	2	34 Å²	34	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.5	170.2	-18.9	31.5	0	0	0	112	Y630 C691	Y630-P642 WeakPolarHBondContact OH-CD 3.29Å; Y630-P642 WeakPolarHBondContact OH-CG 3.13Å; P642-C691 HydrophobicContact CB-CB 3.98Å; P642-C691 HydrophobicContact CG-CB 3.77Å
643	C	78.4	Confident	68.2	Low	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.			trans	-92.6	109.7	177.9	-165.6	0	0	0	0	111	R559 G576 T578 S689	R559-C643 PolarHBondContact NH1-SG 2.85Å; G576-C643 PolarHBondContact O-N 3.42Å; T578-C643 HydrophobicContact CG2-CB 3.97Å; C643-S689 PolarHBondContact O-OG 3.01Å
644	H	73.9	Confident	68.4	Low	13 Å²	13	38.6 Å²	38.6	6%	0.06	21%	0.212	C	C	.	.			trans	-83.3	-7.4	-176.9	-55.4	-45.1	0	0	0	115.2	F625 L678 I688 S689	F625-H644 HydrophobicContact CE1-CB 3.81Å; F625-H644 AromaticContact CE1-CD2 3.4Å; F625-H644 VanDerWaalsContact CE1-CD2 3.4Å; F625-H644 WeakPolarHBondContact CE1-CD2 3.28Å; F625-H644 AromaticContact CE1-CG 3.98Å; F625-H644 HydrophobicContact CZ-CB 3.8Å; F625-H644 AromaticContact CZ-CD2 3.87Å; H644-L678 WeakPolarHBondContact O-CD1 3.07Å; H644-I688 WeakPolarHBondContact CE1-CG2 3.47Å; H644-I688 WeakPolarHBondContact ND1-CG2 3.43Å; H644-I688 WeakPolarHBondContact NE2-CG2 3.48Å; H644-S689 WeakPolarHBondContact CA-OG 3.45Å; H644-S689 PolarHBondContact CE1-O 3.45Å; H644-S689 PolarHBondContact N-OG 3.24Å; H644-S689 PolarHBondContact ND1-N 2.86Å; H644-S689 PolarHBondContact ND1-O 3.37Å; H644-S689 PolarHBondContact ND1-OG 3.33Å
645	F	76.2	Confident	68.1	Low	10 Å²	10	39 Å²	39	4%	0.044	22%	0.224	C	C	.	.			trans	-94.6	130	-174.6	-54.1	-73.9	0	0	0	111.7	F557 R559 L591 L594 F625	F557-F645 AromaticContact CD1-CD2 3.84Å; F557-F645 HydrophobicContact CD1-CD2 3.84Å; F557-F645 HydrophobicContact CD1-CE2 4.22Å; F557-F645 HydrophobicContact CD2-CB 3.97Å; F557-F645 HydrophobicContact CD2-CD2 4.12Å; F557-F645 HydrophobicContact CD2-CG 4.22Å; F557-F645 AromaticContact CE1-CD2 3.61Å; F557-F645 HydrophobicContact CE1-CD2 3.61Å; F557-F645 AromaticContact CE1-CE2 3.72Å; F557-F645 HydrophobicContact CE1-CE2 3.72Å; F557-F645 HydrophobicContact CE1-CG 4.29Å; F557-F645 HydrophobicContact CE1-CZ 4.48Å; F557-F645 HydrophobicContact CE2-CB 3.87Å; F557-F645 HydrophobicContact CE2-CD1 4.49Å; F557-F645 AromaticContact CE2-CD2 3.91Å; F557-F645 HydrophobicContact CE2-CD2 3.91Å; F557-F645 AromaticContact CE2-CG 3.82Å; F557-F645 HydrophobicContact CE2-CG 3.82Å; F557-F645 HydrophobicContact CG-CD2 4.1Å; F557-F645 HydrophobicContact CZ-CB 4.42Å; F557-F645 HydrophobicContact CZ-CD1 4.34Å; F557-F645 AromaticContact CZ-CD2 3.65Å; F557-F645 HydrophobicContact CZ-CD2 3.65Å; F557-F645 AromaticContact CZ-CE2 3.98Å; F557-F645 HydrophobicContact CZ-CE2 3.98Å; F557-F645 AromaticContact CZ-CG 3.86Å; F557-F645 HydrophobicContact CZ-CG 3.86Å; F557-F645 HydrophobicContact CZ-CZ 4.46Å; R559-F645 PolarHBondContact NH1-O 3.13Å; R559-F645 PolarHBondContact NH2-O 3.26Å; R559-F645 VanDerWaalsContact NH2-O 3.14Å; L591-F645 HydrophobicContact CD1-CE1 4.21Å; L591-F645 HydrophobicContact CD1-CZ 3.73Å; L591-F645 HydrophobicContact CG-CE1 4.34Å; L591-F645 HydrophobicContact CG-CZ 4.23Å; L594-F645 HydrophobicContact CD1-CD1 3.99Å; L594-F645 HydrophobicContact CD1-CE1 4.29Å; F625-F645 HydrophobicContact CD1-CZ 4.23Å; F625-F645 HydrophobicContact CE1-CE1 4.5Å; F625-F645 HydrophobicContact CE1-CE2 4.19Å; F625-F645 AromaticContact CE1-CZ 3.78Å; F625-F645 HydrophobicContact CE1-CZ 3.78Å; F625-F645 HydrophobicContact CZ-CE1 4.49Å; F625-F645 HydrophobicContact CZ-CZ 4.19Å
646	A	82.1	Confident	67.5	Low	35 Å²	35	40.4 Å²	40.4	29%	0.289	24%	0.24	S	C	.	.			trans	-85.9	140.4	165.4	0	0	0	0	0	109.8	I574 L676	I574-A646 HydrophobicContact CG2-CB 3.88Å; A646-L676 HydrophobicContact CB-CB 4.49Å; A646-L676 HydrophobicContact CB-CD1 3.86Å
647	E	87	Confident	66.3	Low	5 Å²	5	45.8 Å²	45.8	2%	0.023	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.2	173.1	-63.5	-172.9	-106.7	0	0	110.6	D556 F557 R559 Y572 V573 W649 R673	D556-E647 WeakPolarHBondContact CB-OE2 3.21Å; D556-E647 PolarHBondContact N-OE1 3.37Å; D556-E647 PolarHBondContact N-OE2 2.88Å; F557-E647 HydrophobicContact CD2-CG 4.48Å; F557-E647 PolarHBondContact N-OE1 3.33Å; R559-E647 IonicContact CZ-OE1 3.04Å; R559-E647 IonicContact NE-OE1 2.59Å; R559-E647 IonicContact NH2-OE1 3.81Å; R559-E647 PolarHBondContact NH2-OE1 3.29Å; Y572-E647 CarbonylContact C-O 3.51Å; Y572-E647 WeakPolarHBondContact CA-O 3.14Å; V573-E647 PolarHBondContact N-O 2.96Å; V573-E647 PolarHBondContact O-N 3.01Å; E647-W649 HydrophobicContact CB-CH2 3.49Å; E647-W649 VanDerWaalsContact CB-CH2 3.49Å; E647-W649 HydrophobicContact CB-CZ3 3.56Å; E647-W649 HydrophobicContact CG-CH2 4.35Å; E647-R673 IonicContact OE2-CZ 3.26Å; E647-R673 IonicContact OE2-NE 2.9Å; E647-R673 IonicContact OE2-NH2 3.5Å; E647-R673 PolarHBondContact OE2-NH2 3.06Å
648	G	87.1	Confident	65	Low	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.3	-175.2	0	0	0	0	0	112.6	L571 L674	L571-G648 CarbonylContact O-C 3.57Å; L571-G648 VanDerWaalsContact O-CA 3.26Å; L571-G648 WeakPolarHBondContact O-CA 3.23Å; G648-L674 PolarHBondContact O-N 3.35Å
649	W	88.4	Confident	63.7	Low	4 Å²	4	48 Å²	48	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.2	174.3	-70.8	-96.6	0	0	0	111.3	T553 V554 L555 I570 L571 V573 E647 L651 P671 K672	T553-W649 HydrophobicContact CG2-CD2 4.29Å; T553-W649 HydrophobicContact CG2-CG 4.47Å; T553-W649 HydrophobicContact CG2-CZ2 4.34Å; T553-W649 PolarHBondContact OG1-NE1 3.34Å; V554-W649 WeakPolarHBondContact O-CZ2 3.43Å; L555-W649 HydrophobicContact CD2-CH2 3.29Å; L555-W649 HydrophobicContact CD2-CZ2 4.21Å; L555-W649 HydrophobicContact CD2-CZ3 3.7Å; I570-W649 WeakPolarHBondContact CA-O 3.04Å; L571-W649 PolarHBondContact N-O 2.88Å; L571-W649 PolarHBondContact O-N 3.39Å; V573-W649 HydrophobicContact CG2-CZ3 4.07Å; E647-W649 HydrophobicContact CB-CH2 3.49Å; E647-W649 VanDerWaalsContact CB-CH2 3.49Å; E647-W649 HydrophobicContact CB-CZ3 3.56Å; E647-W649 HydrophobicContact CG-CH2 4.35Å; W649-L651 PolarHBondContact O-N 2.99Å; W649-P671 HydrophobicContact CB-CB 4Å; W649-P671 HydrophobicContact CG-CB 4.41Å; W649-K672 CarbonylContact C-O 3.57Å; W649-K672 WeakPolarHBondContact CA-O 3.39Å
650	Q	84.4	Confident	61.8	Low	32 Å²	32	54.2 Å²	54.2	15%	0.15	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.8	168.1	-165.5	76.4	28.8	0	0	109.5	D569 R652 P671 K672 L674	D569-Q650 PolarHBondContact OD1-NE2 2.6Å; D569-Q650 PolarHBondContact OD2-NE2 2.79Å; Q650-R652 WeakPolarHBondContact CG-O 3.43Å; Q650-R652 PolarHBondContact NE2-O 3.02Å; Q650-P671 CarbonylContact O-C 3.59Å; Q650-P671 VanDerWaalsContact O-CA 3.25Å; Q650-P671 WeakPolarHBondContact O-CA 3.49Å; Q650-K672 HydrophobicContact CB-CB 4.25Å; Q650-K672 WeakPolarHBondContact CB-O 3.46Å; Q650-K672 PolarHBondContact N-O 2.99Å; Q650-K672 PolarHBondContact O-N 3.02Å; Q650-L674 HydrophobicContact CB-CD2 4.31Å; Q650-L674 HydrophobicContact CB-CG 4.48Å
651	L	79.5	Confident	59.7	Low	18 Å²	18	58.5 Å²	58.5	9%	0.094	36%	0.361	C	S	.	.			trans	-81.9	-35.8	180	-58.8	179.2	0	0	0	111.9	D512 F519 V566 D569 L571 W649 P671	D512-L651 HydrophobicContact CB-CD1 4.21Å; F519-L651 HydrophobicContact CE1-CD2 4.34Å; F519-L651 HydrophobicContact CE2-CD1 3.91Å; F519-L651 HydrophobicContact CE2-CD2 4.11Å; F519-L651 HydrophobicContact CZ-CD1 4.26Å; F519-L651 HydrophobicContact CZ-CD2 3.7Å; V566-L651 HydrophobicContact CG1-CD1 3.99Å; V566-L651 HydrophobicContact CG2-CD1 4.16Å; D569-L651 VanDerWaalsContact O-CB 3.29Å; D569-L651 WeakPolarHBondContact O-CB 3.3Å; D569-L651 WeakPolarHBondContact O-CG 3.48Å; D569-L651 PolarHBondContact O-N 3.24Å; L571-L651 HydrophobicContact CB-CD1 4.41Å; L571-L651 HydrophobicContact CB-CD2 4.06Å; L571-L651 HydrophobicContact CB-CG 4.33Å; W649-L651 PolarHBondContact O-N 2.99Å; L651-P671 HydrophobicContact CD2-CB 4.28Å
652	R	73.7	Confident	57.6	Low	58 Å²	58	65.7 Å²	65.7	22%	0.219	40%	0.4	C	S	.	.	S	Bend	trans	-124.7	138.1	-177.1	-67.1	174.9	-79.3	-90.9	3.5	110.7	D512 Y568 D569 Q650	D512-R652 VanDerWaalsContact CG-NH1 3.29Å; D512-R652 IonicContact OD1-CZ 2.89Å; D512-R652 IonicContact OD1-NH1 3.82Å; D512-R652 PolarHBondContact OD1-NH1 3.18Å; D512-R652 IonicContact OD1-NH2 2.85Å; D512-R652 PolarHBondContact OD1-NH2 3.16Å; D512-R652 IonicContact OD2-NH1 3.49Å; D512-R652 PolarHBondContact OD2-NH1 2.81Å; Y568-R652 PolarHBondContact O-NH2 3.38Å; D569-R652 HydrophobicContact CB-CB 4.23Å; Q650-R652 WeakPolarHBondContact CG-O 3.43Å; Q650-R652 PolarHBondContact NE2-O 3.02Å
653	L	55	Low	55.4	Low	117 Å²	117	74.2 Å²	74.2	61%	0.613	44%	0.439	S	S	*	.			trans	-75.2	131.7	174.3	-84.9	145.3	0	0	0	108.9	S655	L653-S655 PolarHBondContact O-N 3.02Å
654	P	43.9	Very low	53	Low	95 Å²	95	84.2 Å²	84.2	62%	0.617	48%	0.477	S	S	*	.			trans	-59.4	132.5	173.2	6.1	-5.5	0	0	0	109	S656	P654-S656 PolarHBondContact O-N 3.08Å
655	S	35.2	Very low	50.8	Low	124 Å²	124	89.1 Å²	89.1	87%	0.867	51%	0.508	S	S	*	.			trans	-68.7	77.3	171.5	52.3	0	0	0	0	109	L653 T657	L653-S655 PolarHBondContact O-N 3.02Å; S655-T657 PolarHBondContact O-N 3.11Å
656	S	32.1	Very low	48.6	Very low	104 Å²	104	94.6 Å²	94.6	73%	0.727	55%	0.548	S	S	*	.			trans	-69.5	121.1	173.1	59.6	0	0	0	0	109.1	P654	P654-S656 PolarHBondContact O-N 3.08Å
657	T	26.4	Very low	46.3	Very low	127 Å²	127	98.4 Å²	98.4	78%	0.779	57%	0.567	S	S	*	*			trans	-44.5	144.1	162.3	39.8	0	0	0	0	112.5	S655	S655-T657 PolarHBondContact O-N 3.11Å
658	S	25.6	Very low	44.2	Very low	109 Å²	109	106.4 Å²	106.4	76%	0.762	61%	0.605	S	S	*	*			trans	90.8	108.9	169.6	74.7	0	0	0	0	120
659	S	25.6	Very low	42.6	Very low	104 Å²	104	110.2 Å²	110.2	73%	0.727	63%	0.631	S	S	*	*			trans	63.1	118.5	141.9	55.2	0	0	0	0	122.6
660	N	25.3	Very low	41.3	Very low	157 Å²	157	120.7 Å²	120.7	84%	0.84	67%	0.671	S	S	*	*			trans	70.9	85.5	147.8	-65.3	-13.9	0	0	0	118.6
661	S	27.7	Very low	40.5	Very low	95 Å²	95	120.7 Å²	120.7	66%	0.664	67%	0.673	S	S	*	*				-164.2	96.2	127.3	44.1	0	0	0	0	111.4	H663	S661-H663 PolarHBondContact O-N 3.23Å
662	L	27.2	Very low	40.4	Very low	170 Å²	170	126.8 Å²	126.8	89%	0.89	70%	0.699	S	S	*	*			trans	-68.5	84.3	157.3	-83.6	103.7	0	0	0	108
663	H	29.5	Very low	40.6	Very low	181 Å²	181	129.1 Å²	129.1	84%	0.838	71%	0.708	S	S	*	*			trans	-179.6	80.7	154.7	-86.8	-47.7	0	0	0	108.2	S661	S661-H663 PolarHBondContact O-N 3.23Å
664	R	28.2	Very low	41.7	Very low	210 Å²	210	125.9 Å²	125.9	79%	0.792	69%	0.691	S	S	*	*			trans	-128.2	98	158	-80.2	-170.2	178.5	178.5	1.4	109.6
665	T	26.8	Very low	42.9	Very low	116 Å²	116	130.5 Å²	130.5	71%	0.712	70%	0.702	S	S	*	*			trans	-58	150.1	159	44	0	0	0	0	109.7	T667	T665-T667 PolarHBondContact O-N 3.22Å
666	S	30.4	Very low	44.5	Very low	126 Å²	126	126 Å²	126	88%	0.881	67%	0.668	S	S	*	*			trans	-55.7	68.6	-175.7	59	0	0	0	0	114.8
667	T	33.8	Very low	46.2	Very low	114 Å²	114	124.1 Å²	124.1	70%	0.699	65%	0.654	S	S	*	*			trans	-90.5	113.6	168.5	50.7	0	0	0	0	107.9	T665 S669	T665-T667 PolarHBondContact O-N 3.22Å; T667-S669 PolarHBondContact O-N 3.22Å
668	Q	43.2	Very low	48.2	Very low	173 Å²	173	119.1 Å²	119.1	81%	0.808	62%	0.623	S	S	*	*			trans	-46.3	116.3	171.6	-74.2	175.7	-19.3	0	0	108.8	R670	Q668-R670 PolarHBondContact O-N 3.39Å
669	S	52.5	Low	50.3	Low	80 Å²	80	114.5 Å²	114.5	56%	0.559	59%	0.591	S	S	*	*			trans	-63.7	107.2	179.5	53.4	0	0	0	0	108.6	T667	T667-S669 PolarHBondContact O-N 3.22Å
670	R	60.9	Low	52.6	Low	225 Å²	225	113 Å²	113	85%	0.849	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-66.1	138.6	172.2	-77.4	-175.4	176.3	178.7	-1.6	109	Q668 K672	Q668-R670 PolarHBondContact O-N 3.39Å; R670-K672 PolarHBondContact O-N 2.99Å
671	P	67.5	Low	54.8	Low	31 Å²	31	107.8 Å²	107.8	20%	0.201	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-56.7	130.2	179	18.2	-28.2	0	0	0	110.9	W649 Q650 L651	W649-P671 HydrophobicContact CB-CB 4Å; W649-P671 HydrophobicContact CG-CB 4.41Å; Q650-P671 CarbonylContact O-C 3.59Å; Q650-P671 VanDerWaalsContact O-CA 3.25Å; Q650-P671 WeakPolarHBondContact O-CA 3.49Å; L651-P671 HydrophobicContact CD2-CB 4.28Å
672	K	77.1	Confident	56.9	Low	146 Å²	146	107.5 Å²	107.5	64%	0.635	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.3	-179.4	-176.1	-175.6	176.5	-172.2	0	109.2	W649 Q650 R670	W649-K672 CarbonylContact C-O 3.57Å; W649-K672 WeakPolarHBondContact CA-O 3.39Å; Q650-K672 HydrophobicContact CB-CB 4.25Å; Q650-K672 WeakPolarHBondContact CB-O 3.46Å; Q650-K672 PolarHBondContact N-O 2.99Å; Q650-K672 PolarHBondContact O-N 3.02Å; R670-K672 PolarHBondContact O-N 2.99Å
673	R	79.2	Confident	59	Low	107 Å²	107	104.8 Å²	104.8	40%	0.404	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.9	179.6	-167.6	173.6	-176.1	-149.9	-3.4	112.3	D556 E647	D556-R673 IonicContact OD1-CZ 3.52Å; D556-R673 VanDerWaalsContact OD1-CZ 3.29Å; D556-R673 IonicContact OD1-NH1 2.79Å; D556-R673 PolarHBondContact OD1-NH1 2.77Å; D556-R673 IonicContact OD1-NH2 3.34Å; D556-R673 PolarHBondContact OD1-NH2 2.86Å; D556-R673 IonicContact OD2-CZ 3.96Å; D556-R673 IonicContact OD2-NH1 3.63Å; D556-R673 PolarHBondContact OD2-NH1 3.35Å; D556-R673 IonicContact OD2-NH2 3.06Å; D556-R673 PolarHBondContact OD2-NH2 2.81Å; E647-R673 IonicContact OE2-CZ 3.26Å; E647-R673 IonicContact OE2-NE 2.9Å; E647-R673 IonicContact OE2-NH2 3.5Å; E647-R673 PolarHBondContact OE2-NH2 3.06Å
674	L	77.4	Confident	60.9	Low	49 Å²	49	101.9 Å²	101.9	26%	0.257	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150	174.7	-61.2	174.4	0	0	0	110.7	I570 G648 Q650	I570-L674 HydrophobicContact CB-CD1 4.31Å; I570-L674 HydrophobicContact CD1-CD1 3.67Å; I570-L674 HydrophobicContact CG1-CD1 3.89Å; I570-L674 HydrophobicContact CG2-CD1 3.45Å; I570-L674 VanDerWaalsContact CG2-CD1 3.45Å; G648-L674 PolarHBondContact O-N 3.35Å; Q650-L674 HydrophobicContact CB-CD2 4.31Å; Q650-L674 HydrophobicContact CB-CG 4.48Å
675	K	69.3	Low	62.8	Low	193 Å²	193	93.3 Å²	93.3	84%	0.839	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-93.3	119.7	166	-70.9	-174.5	178.3	-176.1	0	107.7
676	L	69.8	Low	64.7	Low	30 Å²	30	89 Å²	89	16%	0.157	46%	0.46	C	S	.	.			trans	-106.3	137.2	178.6	-62.7	176.3	0	0	0	109.5	Y572 L594 A646	Y572-L676 HydrophobicContact CD1-CD1 3.74Å; Y572-L676 HydrophobicContact CE1-CD1 3.79Å; Y572-L676 HydrophobicContact CE1-CD2 3.78Å; Y572-L676 HydrophobicContact CE1-CG 4.46Å; L594-L676 WeakPolarHBondContact CD2-O 3.33Å; A646-L676 HydrophobicContact CB-CB 4.49Å; A646-L676 HydrophobicContact CB-CD1 3.86Å
677	S	66.2	Low	66.6	Low	63 Å²	63	83.2 Å²	83.2	44%	0.441	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-79.2	154.8	171.5	54	0	0	0	0	110.5	A679	S677-A679 PolarHBondContact O-N 2.82Å
678	L	68.1	Low	68.2	Low	23 Å²	23	80 Å²	80	12%	0.12	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-69.3	132.7	172.6	-160.8	94.8	0	0	0	109.9	L594 L621 H644 P686	L594-L678 PolarHBondContact O-N 3.13Å; L621-L678 HydrophobicContact CD2-CD2 4.26Å; H644-L678 WeakPolarHBondContact O-CD1 3.07Å; L678-P686 HydrophobicContact CD2-CB 3.26Å
679	A	71.4	Confident	69.2	Low	11 Å²	11	72.2 Å²	72.2	9%	0.091	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-56.7	145.3	174.1	0	0	0	0	0	111.3	Y328 L332 S333 S677 V687	Y328-A679 HydrophobicContact CD1-CB 4.11Å; Y328-A679 HydrophobicContact CE1-CB 3.74Å; L332-A679 WeakPolarHBondContact O-CB 3.42Å; S333-A679 CarbonylContact O-C 3.5Å; S333-A679 WeakPolarHBondContact O-CA 3.3Å; S677-A679 PolarHBondContact O-N 2.82Å; A679-V687 HydrophobicContact CB-CB 3.89Å; A679-V687 HydrophobicContact CB-CG2 3.96Å; A679-V687 WeakPolarHBondContact O-CB 3.29Å; A679-V687 WeakPolarHBondContact O-CG2 3.47Å; A679-V687 PolarHBondContact O-N 3.16Å
680	R	74	Confident	70.1	Confident	74 Å²	74	69.6 Å²	69.6	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.2	178	-60.6	-176.6	-177.1	-176	1.8	111	S333 V334 A335 I595 S685	S333-R680 PolarHBondContact O-N 3.24Å; V334-R680 CarbonylContact C-O 3.55Å; V334-R680 VanDerWaalsContact CA-O 3.22Å; V334-R680 WeakPolarHBondContact CA-O 3.31Å; A335-R680 PolarHBondContact N-O 3.31Å; I595-R680 PolarHBondContact O-NH2 2.67Å; R680-S685 CarbonylContact C-O 3.4Å; R680-S685 VanDerWaalsContact CA-O 3.3Å; R680-S685 WeakPolarHBondContact CA-O 3.46Å
681	Y	71.6	Confident	70.6	Confident	46 Å²	46	58.9 Å²	58.9	18%	0.18	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	167.8	169	-68.7	-68.7	0	0	0	110.6	M326 A335 N683 H684 S685 V687	M326-Y681 HydrophobicContact SD-CE1 4.39Å; A335-Y681 HydrophobicContact CB-CD1 4.38Å; A335-Y681 HydrophobicContact CB-CE1 4.4Å; Y681-N683 WeakPolarHBondContact CB-OD1 3.46Å; Y681-N683 PolarHBondContact O-N 3.04Å; Y681-H684 WeakPolarHBondContact O-CA 2.99Å; Y681-H684 PolarHBondContact O-N 3.05Å; Y681-S685 WeakPolarHBondContact CD2-OG 3.33Å; Y681-S685 PolarHBondContact N-O 2.63Å; Y681-V687 HydrophobicContact CD1-CG2 4.02Å; Y681-V687 HydrophobicContact CD2-CG2 3.79Å; Y681-V687 HydrophobicContact CE1-CG2 4Å; Y681-V687 HydrophobicContact CE2-CB 4.19Å; Y681-V687 HydrophobicContact CE2-CG1 4.4Å; Y681-V687 HydrophobicContact CE2-CG2 3.8Å; Y681-V687 HydrophobicContact CG-CG2 3.92Å
682	A	70.3	Confident	71.1	Confident	89 Å²	89	58.6 Å²	58.6	74%	0.736	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.6	178.8	0	0	0	0	0	114.3	H684	A682-H684 VanDerWaalsContact C-N 3.28Å
683	N	72.2	Confident	71.2	Confident	113 Å²	113	51.9 Å²	51.9	60%	0.604	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	14.5	173.4	68	-8.6	0	0	0	113.3	Y681 S685	Y681-N683 WeakPolarHBondContact CB-OD1 3.46Å; Y681-N683 PolarHBondContact O-N 3.04Å; N683-S685 VanDerWaalsContact CG-OG 3.31Å; N683-S685 PolarHBondContact ND2-OG 3.17Å; N683-S685 PolarHBondContact O-N 2.79Å; N683-S685 WeakPolarHBondContact OD1-CB 3.2Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 2.82Å
684	H	69.8	Low	71.5	Confident	121 Å²	121	48.8 Å²	48.8	56%	0.56	26%	0.26	S	S	*	.	S	Bend	trans	62.6	1.2	-175	-58.3	-76.4	0	0	0	116.6	Y681 A682	Y681-H684 WeakPolarHBondContact O-CA 2.99Å; Y681-H684 PolarHBondContact O-N 3.05Å; A682-H684 VanDerWaalsContact C-N 3.28Å
685	S	67.9	Low	72	Confident	30 Å²	30	46.8 Å²	46.8	21%	0.21	25%	0.249	C	C	.	.			trans	-68.1	139.7	172.1	67.6	0	0	0	0	110.8	R680 Y681 N683	R680-S685 CarbonylContact C-O 3.4Å; R680-S685 VanDerWaalsContact CA-O 3.3Å; R680-S685 WeakPolarHBondContact CA-O 3.46Å; Y681-S685 WeakPolarHBondContact CD2-OG 3.33Å; Y681-S685 PolarHBondContact N-O 2.63Å; N683-S685 VanDerWaalsContact CG-OG 3.31Å; N683-S685 PolarHBondContact ND2-OG 3.17Å; N683-S685 PolarHBondContact O-N 2.79Å; N683-S685 WeakPolarHBondContact OD1-CB 3.2Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 2.82Å
686	P	65.5	Low	72.9	Confident	24 Å²	24	38 Å²	38	16%	0.156	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-66.8	142.9	179.4	23.2	-31.5	0	0	0	112.5	I617 L621 L678	I617-P686 HydrophobicContact CG2-CG 4.14Å; L621-P686 HydrophobicContact CD1-CB 4.39Å; L621-P686 HydrophobicContact CD1-CG 3.18Å; L621-P686 HydrophobicContact CD2-CB 3.59Å; L621-P686 HydrophobicContact CD2-CG 3.28Å; L621-P686 HydrophobicContact CG-CG 3.79Å; L678-P686 HydrophobicContact CD2-CB 3.26Å
687	V	70.7	Confident	73.5	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.036	22%	0.216	C	C	.	.			trans	-86.8	112.5	175.9	-178.6	0	0	0	0	107.9	M326 Y328 A335 A679 Y681	M326-V687 HydrophobicContact SD-CG1 3.85Å; Y328-V687 HydrophobicContact CE1-CG1 4.49Å; A335-V687 HydrophobicContact CB-CG1 4.42Å; A335-V687 HydrophobicContact CB-CG2 3.62Å; A679-V687 HydrophobicContact CB-CB 3.89Å; A679-V687 HydrophobicContact CB-CG2 3.96Å; A679-V687 WeakPolarHBondContact O-CB 3.29Å; A679-V687 WeakPolarHBondContact O-CG2 3.47Å; A679-V687 PolarHBondContact O-N 3.16Å; Y681-V687 HydrophobicContact CD1-CG2 4.02Å; Y681-V687 HydrophobicContact CD2-CG2 3.79Å; Y681-V687 HydrophobicContact CE1-CG2 4Å; Y681-V687 HydrophobicContact CE2-CB 4.19Å; Y681-V687 HydrophobicContact CE2-CG1 4.4Å; Y681-V687 HydrophobicContact CE2-CG2 3.8Å; Y681-V687 HydrophobicContact CG-CG2 3.92Å
688	I	67.5	Low	74	Confident	45 Å²	45	35.9 Å²	35.9	23%	0.231	20%	0.195	C	C	.	.			trans	-87.2	116.6	175.2	-60.6	179.2	0	0	0	107.2	L621 H644	L621-I688 HydrophobicContact CD2-CG1 4.35Å; H644-I688 WeakPolarHBondContact CE1-CG2 3.47Å; H644-I688 WeakPolarHBondContact ND1-CG2 3.43Å; H644-I688 WeakPolarHBondContact NE2-CG2 3.48Å
689	S	65.3	Low	74	Confident	10 Å²	10	35 Å²	35	7%	0.07	19%	0.191	C	C	.	.			trans	-61.9	152.4	176.3	75.5	0	0	0	0	110.7	C643 H644	C643-S689 PolarHBondContact O-OG 3.01Å; H644-S689 WeakPolarHBondContact CA-OG 3.45Å; H644-S689 PolarHBondContact CE1-O 3.45Å; H644-S689 PolarHBondContact N-OG 3.24Å; H644-S689 PolarHBondContact ND1-N 2.86Å; H644-S689 PolarHBondContact ND1-O 3.37Å; H644-S689 PolarHBondContact ND1-OG 3.33Å
690	R	70.2	Confident	73.8	Confident	26 Å²	26	36.6 Å²	36.6	10%	0.098	20%	0.195	C	C	.	.			trans	-108.3	149.7	178.6	-65.4	-176.7	-179.2	108.2	4.8	110.6	E307 S322 E324 A693	E307-R690 WeakPolarHBondContact O-CB 3.16Å; S322-R690 PolarHBondContact OG-NH1 3.25Å; E324-R690 IonicContact OE1-NH2 3.73Å; E324-R690 PolarHBondContact OE1-NH2 2.8Å; E324-R690 IonicContact OE2-CZ 2.8Å; E324-R690 IonicContact OE2-NH1 2.98Å; E324-R690 PolarHBondContact OE2-NH1 3.47Å; E324-R690 IonicContact OE2-NH2 3.94Å; E324-R690 PolarHBondContact OE2-NH2 2.94Å; R690-A693 HydrophobicContact CB-CB 4.23Å; R690-A693 WeakPolarHBondContact O-CB 3.4Å
691	C	71.5	Confident	72.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-69.7	147.7	169.1	56.1	0	0	0	0	109.7	G306 E307 I577 P642 A693	G306-C691 CarbonylContact C-O 3.49Å; G306-C691 WeakPolarHBondContact CA-O 3.39Å; E307-C691 PolarHBondContact N-O 3.09Å; E307-C691 PolarHBondContact O-N 2.83Å; E307-C691 PolarHBondContact O-SG 2.96Å; E307-C691 VanDerWaalsContact O-SG 3.39Å; I577-C691 HydrophobicContact CD1-CB 3.92Å; I577-C691 HydrophobicContact CG1-CB 3.54Å; P642-C691 HydrophobicContact CB-CB 3.98Å; P642-C691 HydrophobicContact CG-CB 3.77Å; C691-A693 PolarHBondContact O-N 3.11Å
692	Y	77.4	Confident	71.7	Confident	24 Å²	24	34.3 Å²	34.3	9%	0.094	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	13.2	-176.5	-47.1	-72.1	0	0	0	115.2	V347 H348 N561 I577 L636 V694	V347-Y692 HydrophobicContact CB-CG 4.4Å; V347-Y692 HydrophobicContact CG1-CD2 4.24Å; V347-Y692 HydrophobicContact CG1-CG 4.4Å; H348-Y692 AromaticContact CE1-CD1 3.29Å; H348-Y692 WeakPolarHBondContact CE1-CD1 3.15Å; H348-Y692 AromaticContact CE1-CE1 3.25Å; H348-Y692 WeakPolarHBondContact CE1-CE1 3.48Å; H348-Y692 AromaticContact ND1-CD1 3.99Å; H348-Y692 AromaticContact NE2-CD1 3.73Å; H348-Y692 AromaticContact NE2-CE1 3.56Å; N561-Y692 WeakPolarHBondContact ND2-CD1 3.18Å; N561-Y692 VanDerWaalsContact ND2-CE1 3.29Å; N561-Y692 WeakPolarHBondContact ND2-CE1 3.36Å; I577-Y692 HydrophobicContact CD1-CD1 3.99Å; I577-Y692 HydrophobicContact CD1-CD2 4.34Å; I577-Y692 HydrophobicContact CD1-CE1 3.49Å; I577-Y692 VanDerWaalsContact CD1-CE1 3.49Å; I577-Y692 HydrophobicContact CD1-CE2 3.88Å; I577-Y692 HydrophobicContact CD1-CG 4.41Å; I577-Y692 VanDerWaalsContact CD1-CZ 3.44Å; L636-Y692 HydrophobicContact CD2-CE2 4.05Å; L636-Y692 WeakPolarHBondContact CD2-OH 3.43Å; Y692-V694 PolarHBondContact O-N 3.45Å
693	A	80.4	Confident	70.1	Confident	6 Å²	6	31.5 Å²	31.5	5%	0.05	17%	0.166	C	C	.	.			trans	-65	128.9	167.6	0	0	0	0	0	108.6	L304 R690 C691 Y695	L304-A693 WeakPolarHBondContact O-CA 3.27Å; R690-A693 HydrophobicContact CB-CB 4.23Å; R690-A693 WeakPolarHBondContact O-CB 3.4Å; C691-A693 PolarHBondContact O-N 3.11Å; A693-Y695 HydrophobicContact CB-CE2 3.86Å
694	V	85.5	Confident	68.5	Low	41 Å²	41	30.4 Å²	30.4	25%	0.248	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	177.8	-171.1	0	0	0	0	107.7	L304 V351 Y692	L304-V694 PolarHBondContact N-O 3.35Å; L304-V694 PolarHBondContact O-N 2.9Å; V351-V694 HydrophobicContact CB-CB 4.31Å; V351-V694 HydrophobicContact CB-CG1 3.68Å; V351-V694 HydrophobicContact CG2-CB 3.69Å; V351-V694 HydrophobicContact CG2-CG1 3.61Å; Y692-V694 PolarHBondContact O-N 3.45Å
695	Y	87.7	Confident	66.5	Low	8 Å²	8	36.8 Å²	36.8	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	155	-178.3	-58.8	-99.2	0	0	0	110.2	V301 Y302 Y328 F563 I574 A693	V301-Y695 HydrophobicContact CG1-CD1 3.95Å; Y302-Y695 CarbonylContact O-C 3.58Å; Y302-Y695 WeakPolarHBondContact O-CA 3.36Å; Y302-Y695 WeakPolarHBondContact O-CB 3.24Å; Y328-Y695 HydrophobicContact CE2-CD1 4.33Å; Y328-Y695 AromaticContact CE2-CE1 3.89Å; Y328-Y695 HydrophobicContact CE2-CE1 3.89Å; F563-Y695 HydrophobicContact CB-CD2 3.63Å; F563-Y695 HydrophobicContact CB-CG 4.07Å; F563-Y695 VanDerWaalsContact CD1-CB 3.43Å; F563-Y695 HydrophobicContact CD1-CG 4.26Å; F563-Y695 WeakPolarHBondContact CD2-O 3.23Å; F563-Y695 WeakPolarHBondContact CE2-O 3.49Å; F563-Y695 HydrophobicContact CG-CD2 4.3Å; F563-Y695 HydrophobicContact CG-CG 4.28Å; F563-Y695 WeakPolarHBondContact CZ-O 3.29Å; I574-Y695 HydrophobicContact CD1-CD1 3.45Å; I574-Y695 VanDerWaalsContact CD1-CD1 3.45Å; I574-Y695 HydrophobicContact CD1-CD2 4.08Å; I574-Y695 HydrophobicContact CD1-CE1 3.67Å; I574-Y695 HydrophobicContact CD1-CE2 4.26Å; I574-Y695 HydrophobicContact CD1-CG 3.67Å; I574-Y695 HydrophobicContact CG1-CD1 4.45Å; I574-Y695 HydrophobicContact CG1-CD2 4.25Å; I574-Y695 HydrophobicContact CG1-CE2 4.31Å; I574-Y695 HydrophobicContact CG1-CG 4.32Å; A693-Y695 HydrophobicContact CB-CE2 3.86Å
696	C	88.2	Confident	66.4	Low	7 Å²	7	37.1 Å²	37.1	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.7	169.8	64.1	0	0	0	0	110.4	Y302 V351 A353	Y302-C696 PolarHBondContact N-O 3.43Å; Y302-C696 PolarHBondContact O-N 3.21Å; V351-C696 HydrophobicContact CG1-CB 3.69Å; A353-C696 HydrophobicContact CB-CB 4.23Å
697	I	82.8	Confident	66.5	Low	50 Å²	50	37.8 Å²	37.8	26%	0.256	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.4	168.3	-64.7	-180	0	0	0	107.9	Y299 R300 V301 A353 F563 F565	Y299-I697 HydrophobicContact CD1-CG2 3.64Å; Y299-I697 HydrophobicContact CG-CG2 3.9Å; R300-I697 WeakPolarHBondContact O-CA 3.44Å; V301-I697 HydrophobicContact CG2-CG1 4.31Å; A353-I697 VanDerWaalsContact CB-O 3.22Å; A353-I697 WeakPolarHBondContact CB-O 3.43Å; F563-I697 HydrophobicContact CE1-CG1 4.37Å; F565-I697 HydrophobicContact CB-CD1 3.47Å; F565-I697 VanDerWaalsContact CB-CD1 3.47Å; F565-I697 HydrophobicContact CB-CG1 4.39Å; F565-I697 HydrophobicContact CD2-CD1 3.55Å; F565-I697 HydrophobicContact CD2-CG1 4.43Å; F565-I697 HydrophobicContact CE2-CD1 4.39Å; F565-I697 HydrophobicContact CG-CD1 3.62Å; F565-I697 HydrophobicContact CG-CG1 4.35Å
698	A	76.8	Confident	66.3	Low	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	173.5	0	0	0	0	0	111.3	R300 Y302 A353 I358 L379 Y700	R300-A698 PolarHBondContact N-O 3.18Å; R300-A698 PolarHBondContact O-N 3.43Å; Y302-A698 HydrophobicContact CD2-CB 3.83Å; Y302-A698 HydrophobicContact CE2-CB 3.61Å; A353-A698 HydrophobicContact CB-CB 3.65Å; I358-A698 HydrophobicContact CD1-CB 3.83Å; I358-A698 HydrophobicContact CG1-CB 3.8Å; L379-A698 HydrophobicContact CD1-CB 3.72Å; L379-A698 HydrophobicContact CD2-CB 4.31Å; A698-Y700 PolarHBondContact O-N 3.34Å
699	P	67.4	Low	66.2	Low	4 Å²	4	39.2 Å²	39.2	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.1	136.6	167.8	-39.6	47.1	0	0	0	113.8	T297 Y299 Y302 L355 L379 L701	T297-P699 HydrophobicContact CG2-CB 3.6Å; T297-P699 WeakPolarHBondContact OG1-CA 3.42Å; T297-P699 WeakPolarHBondContact OG1-CB 3.43Å; T297-P699 VanDerWaalsContact OG1-CG 3.25Å; T297-P699 WeakPolarHBondContact OG1-CG 3.49Å; Y299-P699 HydrophobicContact CD1-CG 4.34Å; Y299-P699 HydrophobicContact CE1-CG 3.83Å; Y302-P699 PolarHBondContact OH-O 3.43Å; L355-P699 HydrophobicContact CD2-CG 4.16Å; L355-P699 WeakPolarHBondContact O-CB 3.48Å; L355-P699 WeakPolarHBondContact O-CG 3.18Å; L379-P699 HydrophobicContact CD1-CB 4.31Å; P699-L701 HydrophobicContact CB-CD2 4.43Å; P699-L701 HydrophobicContact CB-CG 4.33Å
700	Y	66.3	Low	66.2	Low	44 Å²	44	41.1 Å²	41.1	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	95.3	162	-176.2	-115.8	0	0	0	108.7	T297 I298 R300 M327 A698 N702	T297-Y700 WeakPolarHBondContact CG2-O 3.33Å; I298-Y700 WeakPolarHBondContact O-CA 3.27Å; I298-Y700 WeakPolarHBondContact O-CB 3.23Å; I298-Y700 PolarHBondContact O-N 2.87Å; R300-Y700 HydrophobicContact CG-CG 4.27Å; R300-Y700 VanDerWaalsContact CZ-CD1 3.47Å; R300-Y700 VanDerWaalsContact CZ-CE2 3.5Å; R300-Y700 PolarHBondContact NH1-OH 3.47Å; M327-Y700 HydrophobicContact CE-CE2 4.08Å; M327-Y700 HydrophobicContact SD-CD2 3.7Å; M327-Y700 HydrophobicContact SD-CE2 3.62Å; A698-Y700 PolarHBondContact O-N 3.34Å; Y700-N702 HydrophobicContact CD1-CB 4.34Å; Y700-N702 HydrophobicContact CE1-CB 3.95Å; Y700-N702 WeakPolarHBondContact CE1-OD1 3.41Å; Y700-N702 PolarHBondContact O-N 2.83Å; Y700-N702 PolarHBondContact OH-OD1 3.48Å
701	L	53.7	Low	66	Low	8 Å²	8	42.1 Å²	42.1	4%	0.042	20%	0.204	C	C	.	.			trans	-78.3	102	171.4	-64.4	178.8	0	0	0	106.4	P293 T297 L379 T380 P699 C703	P293-L701 HydrophobicContact CB-CD2 3.55Å; P293-L701 HydrophobicContact CG-CB 3.81Å; P293-L701 HydrophobicContact CG-CD2 3.58Å; P293-L701 HydrophobicContact CG-CG 4.21Å; T297-L701 HydrophobicContact CG2-CD2 3.44Å; T297-L701 VanDerWaalsContact CG2-CD2 3.44Å; T297-L701 HydrophobicContact CG2-CG 4.27Å; L379-L701 HydrophobicContact CB-CD1 3.79Å; L379-L701 HydrophobicContact CB-CG 4.28Å; T380-L701 WeakPolarHBondContact OG1-CD1 3.47Å; P699-L701 HydrophobicContact CB-CD2 4.43Å; P699-L701 HydrophobicContact CB-CG 4.33Å; L701-C703 PolarHBondContact O-N 3.19Å
702	N	48.1	Very low	65.6	Low	65 Å²	65	45.1 Å²	45.1	35%	0.348	22%	0.219	S	C	.	.			trans	-71.8	67.6	176	-151.7	16.9	0	0	0	108.9	Y700 M704	Y700-N702 HydrophobicContact CD1-CB 4.34Å; Y700-N702 HydrophobicContact CE1-CB 3.95Å; Y700-N702 WeakPolarHBondContact CE1-OD1 3.41Å; Y700-N702 PolarHBondContact O-N 2.83Å; Y700-N702 PolarHBondContact OH-OD1 3.48Å; N702-M704 PolarHBondContact O-N 2.99Å
703	C	36.4	Very low	64.7	Low	29 Å²	29	46.7 Å²	46.7	20%	0.196	23%	0.228	C	C	.	.			trans	-84	102.4	175.1	-74.1	0	0	0	0	107.1	T380 L701 K705	T380-C703 VanDerWaalsContact CG2-SG 3.54Å; T380-C703 WeakPolarHBondContact O-CB 3.3Å; L701-C703 PolarHBondContact O-N 3.19Å; C703-K705 PolarHBondContact O-N 2.77Å
704	M	38.7	Very low	63.4	Low	91 Å²	91	50.1 Å²	50.1	45%	0.448	24%	0.243	S	C	.	.			trans	-50.6	129	171.8	-76.3	-168.8	-108.2	0	0	110.5	L226 I227 T228 N702	L226-M704 VanDerWaalsContact C-CE 3.43Å; L226-M704 WeakPolarHBondContact O-CE 3.4Å; I227-M704 VanDerWaalsContact C-CE 3.47Å; T228-M704 HydrophobicContact CG2-CE 3.65Å; T228-M704 HydrophobicContact CG2-CG 4.37Å; T228-M704 HydrophobicContact CG2-SD 3.44Å; T228-M704 WeakPolarHBondContact CG2-SD 3.2Å; N702-M704 PolarHBondContact O-N 2.99Å
705	K	28.9	Very low	61.4	Low	254 Å²	254	50.9 Å²	50.9	100%	1.104	24%	0.243	S	C	*	.			trans	-87.2	0	146.9	-88.1	-173.4	177.1	176.8	0	109.3	C703	C703-K705 PolarHBondContact O-N 2.77Å

Retrieved 705 of 705 residues in 901.4 ms (Link to these results)

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